NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
561223 | 2m0u | 18825 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 4 HT1 GLY 4 -26.426 -15.122 -11.861 2 H2 GLY 4 HT2 GLY 4 -25.505 -14.576 -10.547 3 H3 GLY 4 HT3 GLY 4 -25.898 -16.221 -10.685 4 HA2 GLY 4 HA3 GLY 4 -24.522 -16.488 -12.588 5 HA3 GLY 4 HA2 GLY 4 -24.241 -14.753 -12.657 6 H ILE 5 H ILE 5 -21.960 -15.522 -12.654 7 HA ILE 5 HA ILE 5 -21.023 -16.224 -9.971 8 HB ILE 5 HB ILE 5 -20.049 -17.595 -11.671 9 HG12 ILE 5 HG12 ILE 5 -17.657 -17.189 -11.315 10 HG13 ILE 5 HG13 ILE 5 -18.007 -15.547 -10.783 11 HG21 ILE 5 HG21 ILE 5 -19.128 -15.060 -13.008 12 HG22 ILE 5 HG22 ILE 5 -18.697 -16.696 -13.508 13 HG23 ILE 5 HG23 ILE 5 -20.375 -16.158 -13.597 14 HD11 ILE 5 HD11 ILE 5 -19.224 -16.425 -8.865 15 HD12 ILE 5 HD12 ILE 5 -18.885 -18.071 -9.400 16 HD13 ILE 5 HD13 ILE 5 -17.562 -17.015 -8.902 17 H ASP 6 H ASP 6 -20.369 -14.733 -8.646 18 HA ASP 6 HA ASP 6 -19.532 -12.122 -9.661 19 HB2 ASP 6 HB2 ASP 6 -19.707 -11.406 -7.284 20 HB3 ASP 6 HB3 ASP 6 -21.220 -12.044 -7.917 21 HA PRO 7 HA PRO 7 -15.273 -13.222 -9.005 22 HB2 PRO 7 HB2 PRO 7 -14.766 -10.326 -9.039 23 HB3 PRO 7 HB3 PRO 7 -14.209 -11.573 -10.156 24 HG2 PRO 7 HG2 PRO 7 -16.055 -9.757 -10.869 25 HG3 PRO 7 HG3 PRO 7 -16.092 -11.423 -11.479 26 HD2 PRO 7 HD2 PRO 7 -17.712 -10.171 -9.287 27 HD3 PRO 7 HD3 PRO 7 -18.223 -11.288 -10.571 28 H PHE 8 H PHE 8 -13.394 -11.984 -7.656 29 HA PHE 8 HA PHE 8 -14.311 -12.226 -4.936 30 HB2 PHE 8 HB2 PHE 8 -12.163 -13.211 -5.640 31 HB3 PHE 8 HB3 PHE 8 -11.553 -11.605 -6.020 32 HD1 PHE 8 HD2 PHE 8 -13.266 -13.205 -3.099 33 HD2 PHE 8 HD1 PHE 8 -10.039 -10.813 -4.509 34 HE1 PHE 8 HE2 PHE 8 -12.432 -12.980 -0.799 35 HE2 PHE 8 HE1 PHE 8 -9.198 -10.585 -2.208 36 HZ PHE 8 HZ PHE 8 -10.395 -11.671 -0.349 37 H THR 9 H THR 9 -15.715 -10.408 -4.860 38 HA THR 9 HA THR 9 -14.692 -7.757 -5.104 39 HB THR 9 HB THR 9 -16.867 -7.273 -3.714 40 HG1 THR 9 HG1 THR 9 -17.233 -9.451 -3.132 41 HG21 THR 9 HG21 THR 9 -16.573 -6.686 -6.046 42 HG22 THR 9 HG22 THR 9 -16.914 -8.347 -6.533 43 HG23 THR 9 HG23 THR 9 -18.180 -7.368 -5.792 44 H MET 10 H MET 10 -12.852 -7.837 -3.807 45 HA MET 10 HA MET 10 -13.283 -6.710 -1.241 46 HB2 MET 10 HB2 MET 10 -13.495 -9.246 -0.828 47 HB3 MET 10 HB3 MET 10 -11.774 -9.326 -1.181 48 HG2 MET 10 HG2 MET 10 -12.187 -9.246 1.210 49 HG3 MET 10 HG3 MET 10 -11.309 -7.817 0.667 50 HE1 MET 10 HE1 MET 10 -13.650 -6.590 3.640 51 HE2 MET 10 HE2 MET 10 -12.966 -8.209 3.487 52 HE3 MET 10 HE3 MET 10 -11.979 -6.795 3.114 53 H LEU 11 H LEU 11 -12.169 -5.243 -2.771 54 HA LEU 11 HA LEU 11 -9.278 -5.586 -2.711 55 HB2 LEU 11 HB2 LEU 11 -9.443 -4.858 -5.265 56 HB3 LEU 11 HB3 LEU 11 -9.403 -6.534 -4.759 57 HG LEU 11 HG LEU 11 -11.839 -6.678 -4.967 58 HD11 LEU 11 HD11 LEU 11 -13.156 -4.882 -5.904 59 HD12 LEU 11 HD12 LEU 11 -12.368 -4.338 -4.417 60 HD13 LEU 11 HD13 LEU 11 -11.730 -3.844 -5.989 61 HD21 LEU 11 HD21 LEU 11 -11.984 -6.492 -7.397 62 HD22 LEU 11 HD22 LEU 11 -10.504 -5.534 -7.411 63 HD23 LEU 11 HD23 LEU 11 -10.458 -7.219 -6.892 64 HA PRO 12 HA PRO 12 -10.687 -1.044 -2.133 65 HB2 PRO 12 HB2 PRO 12 -8.773 -1.595 0.092 66 HB3 PRO 12 HB3 PRO 12 -10.208 -0.564 0.076 67 HG2 PRO 12 HG2 PRO 12 -10.255 -2.951 1.258 68 HG3 PRO 12 HG3 PRO 12 -11.657 -2.350 0.352 69 HD2 PRO 12 HD2 PRO 12 -9.660 -4.425 -0.406 70 HD3 PRO 12 HD3 PRO 12 -11.383 -4.315 -0.817 71 H ARG 13 H ARG 13 -9.511 0.168 -3.463 72 HA ARG 13 HA ARG 13 -6.876 -0.758 -4.227 73 HB2 ARG 13 HB2 ARG 13 -7.226 1.264 -5.895 74 HB3 ARG 13 HB3 ARG 13 -8.021 -0.283 -6.152 75 HG2 ARG 13 HG2 ARG 13 -10.026 0.617 -5.005 76 HG3 ARG 13 HG3 ARG 13 -9.224 2.187 -4.927 77 HD2 ARG 13 HD2 ARG 13 -9.314 2.482 -7.232 78 HD3 ARG 13 HD3 ARG 13 -9.552 0.759 -7.539 79 HE ARG 13 HE ARG 13 -11.812 0.977 -7.013 80 HH11 ARG 13 HH11 ARG 13 -10.120 4.020 -6.687 81 HH12 ARG 13 HH12 ARG 13 -11.577 4.961 -6.531 82 HH21 ARG 13 HH21 ARG 13 -13.729 2.212 -6.840 83 HH22 ARG 13 HH22 ARG 13 -13.619 3.937 -6.602 84 H LEU 14 H LEU 14 -5.039 0.126 -3.673 85 HA LEU 14 HA LEU 14 -5.064 2.494 -1.988 86 HB2 LEU 14 HB2 LEU 14 -3.786 0.443 -1.352 87 HB3 LEU 14 HB3 LEU 14 -2.744 0.714 -2.736 88 HG LEU 14 HG LEU 14 -2.144 2.944 -1.732 89 HD11 LEU 14 HD11 LEU 14 -4.030 3.261 -0.275 90 HD12 LEU 14 HD12 LEU 14 -3.631 1.798 0.623 91 HD13 LEU 14 HD13 LEU 14 -2.559 3.195 0.693 92 HD21 LEU 14 HD21 LEU 14 -1.511 0.457 -0.151 93 HD22 LEU 14 HD22 LEU 14 -0.652 1.043 -1.575 94 HD23 LEU 14 HD23 LEU 14 -0.609 1.970 -0.077 95 H CYS 15 H CYS 15 -4.852 4.390 -2.886 96 HA CYS 15 HA CYS 15 -3.456 4.606 -5.459 97 HB2 CYS 15 HB2 CYS 15 -5.449 6.472 -4.153 98 HB3 CYS 15 HB3 CYS 15 -4.742 6.682 -5.752 99 HG CYS 15 HG CYS 15 -6.069 4.700 -6.985 100 H CYS 16 H CYS 16 -1.362 5.169 -5.133 101 HA CYS 16 HA CYS 16 -0.617 6.916 -2.964 102 HB2 CYS 16 HB2 CYS 16 1.649 6.829 -4.199 103 HB3 CYS 16 HB3 CYS 16 1.050 5.346 -3.464 104 HG CYS 16 HG CYS 16 2.285 4.777 -5.940 105 H LEU 17 H LEU 17 -1.213 8.974 -3.101 106 HA LEU 17 HA LEU 17 -1.413 10.232 -5.719 107 HB2 LEU 17 HB2 LEU 17 -2.519 10.834 -3.018 108 HB3 LEU 17 HB3 LEU 17 -2.268 12.180 -4.121 109 HG LEU 17 HG LEU 17 -3.709 11.013 -5.791 110 HD11 LEU 17 HD11 LEU 17 -3.403 8.726 -4.994 111 HD12 LEU 17 HD12 LEU 17 -4.281 9.127 -3.517 112 HD13 LEU 17 HD13 LEU 17 -5.110 9.170 -5.072 113 HD21 LEU 17 HD21 LEU 17 -4.968 11.528 -3.107 114 HD22 LEU 17 HD22 LEU 17 -4.605 12.739 -4.336 115 HD23 LEU 17 HD23 LEU 17 -5.807 11.490 -4.658 116 H GLU 18 H GLU 18 -0.047 11.607 -6.491 117 HA GLU 18 HA GLU 18 2.340 12.286 -4.995 118 HB2 GLU 18 HB2 GLU 18 1.513 12.643 -7.874 119 HB3 GLU 18 HB3 GLU 18 3.023 13.271 -7.234 120 HG2 GLU 18 HG2 GLU 18 2.286 10.372 -7.049 121 HG3 GLU 18 HG3 GLU 18 3.114 11.055 -8.447 122 H LYS 19 H LYS 19 2.892 14.274 -4.315 123 HA LYS 19 HA LYS 19 1.017 16.391 -4.216 124 HB2 LYS 19 HB2 LYS 19 2.747 16.197 -2.540 125 HB3 LYS 19 HB3 LYS 19 4.007 16.346 -3.755 126 HG2 LYS 19 HG2 LYS 19 3.805 18.409 -2.539 127 HG3 LYS 19 HG3 LYS 19 3.257 18.659 -4.195 128 HD2 LYS 19 HD2 LYS 19 1.807 19.746 -2.509 129 HD3 LYS 19 HD3 LYS 19 0.955 18.564 -3.503 130 HE2 LYS 19 HE2 LYS 19 0.400 18.481 -1.070 131 HE3 LYS 19 HE3 LYS 19 0.967 16.960 -1.752 132 HZ1 LYS 19 HZ1 LYS 19 1.975 17.416 0.412 133 HZ2 LYS 19 HZ2 LYS 19 3.146 17.369 -0.809 134 HZ3 LYS 19 HZ3 LYS 19 2.641 18.860 -0.185 135 H GLY 20 H GLY 20 0.303 17.183 -6.077 136 HA2 GLY 20 HA2 GLY 20 2.035 17.604 -8.350 137 HA3 GLY 20 HA3 GLY 20 0.327 18.007 -8.248 138 HA PRO 21 HA PRO 21 2.134 22.132 -8.510 139 HB2 PRO 21 HB2 PRO 21 -0.740 22.857 -8.297 140 HB3 PRO 21 HB3 PRO 21 0.462 23.353 -9.494 141 HG2 PRO 21 HG2 PRO 21 -1.433 21.582 -10.112 142 HG3 PRO 21 HG3 PRO 21 0.218 21.411 -10.734 143 HD2 PRO 21 HD2 PRO 21 -1.128 19.939 -8.507 144 HD3 PRO 21 HD3 PRO 21 -0.003 19.335 -9.740 145 H ASN 22 H ASN 22 -0.756 21.689 -6.442 146 HA ASN 22 HA ASN 22 0.730 22.751 -4.163 147 HB2 ASN 22 HB2 ASN 22 -0.907 24.495 -3.685 148 HB3 ASN 22 HB3 ASN 22 -0.222 24.744 -5.285 149 HD21 ASN 22 HD21 ASN 22 -3.055 24.141 -3.461 150 HD22 ASN 22 HD22 ASN 22 -4.171 24.165 -4.781 151 H GLY 23 H GLY 23 -0.514 20.192 -4.935 152 HA2 GLY 23 HA2 GLY 23 -1.638 19.282 -2.632 153 HA3 GLY 23 HA3 GLY 23 -3.000 19.944 -3.531 154 H TYR 24 H TYR 24 -4.068 18.098 -4.115 155 HA TYR 24 HA TYR 24 -2.496 16.137 -5.654 156 HB2 TYR 24 HB2 TYR 24 -4.742 15.480 -3.740 157 HB3 TYR 24 HB3 TYR 24 -3.768 14.327 -4.655 158 HD1 TYR 24 HD1 TYR 24 -1.278 14.225 -4.186 159 HD2 TYR 24 HD2 TYR 24 -4.011 16.263 -1.645 160 HE1 TYR 24 HE1 TYR 24 0.390 14.205 -2.387 161 HE2 TYR 24 HE2 TYR 24 -2.353 16.238 0.169 162 HH TYR 24 HH TYR 24 -0.374 14.924 0.835 163 H GLY 25 H GLY 25 -5.559 17.795 -5.226 164 HA2 GLY 25 HA2 GLY 25 -6.533 18.735 -7.185 165 HA3 GLY 25 HA3 GLY 25 -5.924 17.380 -8.115 166 H PHE 26 H PHE 26 -7.756 17.108 -5.073 167 HA PHE 26 HA PHE 26 -10.146 16.592 -6.651 168 HB2 PHE 26 HB2 PHE 26 -10.702 14.568 -5.380 169 HB3 PHE 26 HB3 PHE 26 -9.215 14.377 -6.301 170 HD1 PHE 26 HD2 PHE 26 -7.006 14.806 -4.979 171 HD2 PHE 26 HD1 PHE 26 -10.763 13.956 -3.176 172 HE1 PHE 26 HE2 PHE 26 -5.853 14.033 -2.952 173 HE2 PHE 26 HE1 PHE 26 -9.615 13.179 -1.146 174 HZ PHE 26 HZ PHE 26 -7.156 13.212 -1.035 175 H HIS 27 H HIS 27 -12.097 16.657 -5.448 176 HA HIS 27 HA HIS 27 -11.900 18.418 -3.091 177 HB2 HIS 27 HB2 HIS 27 -14.210 18.060 -5.034 178 HB3 HIS 27 HB3 HIS 27 -14.202 19.142 -3.649 179 HD1 HIS 27 HD1 HIS 27 -14.166 21.444 -4.599 180 HD2 HIS 27 HD2 HIS 27 -11.543 18.893 -6.589 181 HE1 HIS 27 HE1 HIS 27 -12.964 22.873 -6.275 182 HE2 HIS 27 HE2 HIS 27 -11.531 21.277 -7.598 183 H LEU 28 H LEU 28 -12.317 17.380 -1.230 184 HA LEU 28 HA LEU 28 -13.894 14.907 -1.379 185 HB2 LEU 28 HB2 LEU 28 -11.569 14.883 -0.406 186 HB3 LEU 28 HB3 LEU 28 -12.166 15.890 0.895 187 HG LEU 28 HG LEU 28 -13.488 13.253 0.376 188 HD11 LEU 28 HD11 LEU 28 -11.111 12.734 0.411 189 HD12 LEU 28 HD12 LEU 28 -10.918 13.652 1.906 190 HD13 LEU 28 HD13 LEU 28 -11.889 12.180 1.894 191 HD21 LEU 28 HD21 LEU 28 -14.463 14.793 2.007 192 HD22 LEU 28 HD22 LEU 28 -13.848 13.337 2.787 193 HD23 LEU 28 HD23 LEU 28 -12.932 14.841 2.881 194 H HIS 29 H HIS 29 -15.861 14.778 -0.469 195 HA HIS 29 HA HIS 29 -16.728 17.072 1.159 196 HB2 HIS 29 HB2 HIS 29 -18.934 16.812 0.409 197 HB3 HIS 29 HB3 HIS 29 -17.979 16.542 -1.038 198 HD1 HIS 29 HD1 HIS 29 -20.352 14.887 1.294 199 HD2 HIS 29 HD2 HIS 29 -18.055 13.875 -2.026 200 HE1 HIS 29 HE1 HIS 29 -21.239 12.668 0.504 201 HE2 HIS 29 HE2 HIS 29 -19.935 12.146 -1.594 202 H GLY 30 H GLY 30 -17.628 16.712 3.136 203 HA2 GLY 30 HA2 GLY 30 -17.691 13.916 4.039 204 HA3 GLY 30 HA3 GLY 30 -16.759 15.108 4.939 205 H GLU 31 H GLU 31 -19.211 13.449 5.520 206 HA GLU 31 HA GLU 31 -21.240 15.450 5.952 207 HB2 GLU 31 HB2 GLU 31 -21.086 12.631 7.040 208 HB3 GLU 31 HB3 GLU 31 -22.516 13.654 6.966 209 HG2 GLU 31 HG2 GLU 31 -21.015 12.459 4.644 210 HG3 GLU 31 HG3 GLU 31 -22.628 12.026 5.208 211 H LYS 32 H LYS 32 -21.848 16.256 7.998 212 HA LYS 32 HA LYS 32 -19.474 16.858 9.492 213 HB2 LYS 32 HB2 LYS 32 -22.308 17.860 9.713 214 HB3 LYS 32 HB3 LYS 32 -20.972 18.463 10.688 215 HG2 LYS 32 HG2 LYS 32 -19.813 19.220 8.708 216 HG3 LYS 32 HG3 LYS 32 -21.063 18.527 7.677 217 HD2 LYS 32 HD2 LYS 32 -21.531 20.713 9.703 218 HD3 LYS 32 HD3 LYS 32 -21.261 20.986 7.982 219 HE2 LYS 32 HE2 LYS 32 -23.245 19.607 7.486 220 HE3 LYS 32 HE3 LYS 32 -23.523 19.421 9.216 221 HZ1 LYS 32 HZ1 LYS 32 -24.918 21.156 8.383 222 HZ2 LYS 32 HZ2 LYS 32 -23.722 21.865 9.358 223 HZ3 LYS 32 HZ3 LYS 32 -23.601 21.953 7.668 224 H GLY 33 H GLY 33 -19.494 14.452 10.067 225 HA2 GLY 33 HA2 GLY 33 -20.239 14.399 12.909 226 HA3 GLY 33 HA3 GLY 33 -20.622 13.008 11.896 227 H LYS 34 H LYS 34 -19.073 11.503 11.541 228 HA LYS 34 HA LYS 34 -16.272 12.312 11.758 229 HB2 LYS 34 HB2 LYS 34 -17.565 10.073 13.299 230 HB3 LYS 34 HB3 LYS 34 -15.858 10.021 12.884 231 HG2 LYS 34 HG2 LYS 34 -15.597 12.209 14.048 232 HG3 LYS 34 HG3 LYS 34 -17.268 12.042 14.588 233 HD2 LYS 34 HD2 LYS 34 -16.777 10.131 15.870 234 HD3 LYS 34 HD3 LYS 34 -15.217 9.904 15.079 235 HE2 LYS 34 HE2 LYS 34 -15.952 12.191 16.903 236 HE3 LYS 34 HE3 LYS 34 -14.964 10.800 17.345 237 HZ1 LYS 34 HZ1 LYS 34 -14.306 12.840 15.287 238 HZ2 LYS 34 HZ2 LYS 34 -13.563 12.674 16.798 239 HZ3 LYS 34 HZ3 LYS 34 -13.371 11.465 15.619 240 H LEU 35 H LEU 35 -18.067 9.296 11.395 241 HA LEU 35 HA LEU 35 -16.365 8.533 9.199 242 HB2 LEU 35 HB2 LEU 35 -18.692 7.134 10.508 243 HB3 LEU 35 HB3 LEU 35 -17.721 6.444 9.218 244 HG LEU 35 HG LEU 35 -15.753 7.022 10.899 245 HD11 LEU 35 HD11 LEU 35 -18.067 6.496 12.747 246 HD12 LEU 35 HD12 LEU 35 -16.365 6.632 13.199 247 HD13 LEU 35 HD13 LEU 35 -17.227 8.035 12.565 248 HD21 LEU 35 HD21 LEU 35 -16.271 4.839 9.941 249 HD22 LEU 35 HD22 LEU 35 -15.846 4.711 11.650 250 HD23 LEU 35 HD23 LEU 35 -17.535 4.606 11.147 251 H GLY 36 H GLY 36 -16.704 9.066 7.232 252 HA2 GLY 36 HA2 GLY 36 -18.627 8.675 5.490 253 HA3 GLY 36 HA3 GLY 36 -19.358 9.991 6.399 254 H GLN 37 H GLN 37 -16.182 9.247 4.979 255 HA GLN 37 HA GLN 37 -16.128 11.981 3.894 256 HB2 GLN 37 HB2 GLN 37 -13.754 10.149 4.249 257 HB3 GLN 37 HB3 GLN 37 -13.741 11.879 3.936 258 HG2 GLN 37 HG2 GLN 37 -14.685 10.549 6.469 259 HG3 GLN 37 HG3 GLN 37 -13.142 11.362 6.241 260 HE21 GLN 37 HE21 GLN 37 -15.300 11.890 8.133 261 HE22 GLN 37 HE22 GLN 37 -15.780 13.531 7.865 262 H TYR 38 H TYR 38 -16.478 12.112 1.763 263 HA TYR 38 HA TYR 38 -15.777 9.811 0.057 264 HB2 TYR 38 HB2 TYR 38 -18.370 11.378 -0.037 265 HB3 TYR 38 HB3 TYR 38 -17.894 10.134 -1.184 266 HD1 TYR 38 HD1 TYR 38 -18.896 10.750 2.322 267 HD2 TYR 38 HD2 TYR 38 -18.196 7.827 -0.687 268 HE1 TYR 38 HE1 TYR 38 -19.954 9.045 3.741 269 HE2 TYR 38 HE2 TYR 38 -19.249 6.114 0.725 270 HH TYR 38 HH TYR 38 -21.034 6.890 3.549 271 H ILE 39 H ILE 39 -15.313 10.331 -2.125 272 HA ILE 39 HA ILE 39 -14.223 12.976 -2.475 273 HB ILE 39 HB ILE 39 -14.453 10.833 -4.595 274 HG12 ILE 39 HG12 ILE 39 -13.325 9.912 -2.612 275 HG13 ILE 39 HG13 ILE 39 -12.190 10.130 -3.940 276 HG21 ILE 39 HG21 ILE 39 -12.532 13.143 -4.268 277 HG22 ILE 39 HG22 ILE 39 -12.546 11.982 -5.595 278 HG23 ILE 39 HG23 ILE 39 -13.899 13.093 -5.384 279 HD11 ILE 39 HD11 ILE 39 -11.200 10.801 -1.836 280 HD12 ILE 39 HD12 ILE 39 -11.389 12.196 -2.901 281 HD13 ILE 39 HD13 ILE 39 -12.512 11.948 -1.564 282 H ARG 40 H ARG 40 -15.070 14.630 -3.551 283 HA ARG 40 HA ARG 40 -17.896 14.377 -4.280 284 HB2 ARG 40 HB2 ARG 40 -16.707 16.074 -2.596 285 HB3 ARG 40 HB3 ARG 40 -16.491 16.998 -4.071 286 HG2 ARG 40 HG2 ARG 40 -19.166 15.989 -3.166 287 HG3 ARG 40 HG3 ARG 40 -18.508 17.544 -2.663 288 HD2 ARG 40 HD2 ARG 40 -18.201 17.875 -5.254 289 HD3 ARG 40 HD3 ARG 40 -19.477 16.656 -5.334 290 HE ARG 40 HE ARG 40 -19.774 19.134 -3.763 291 HH11 ARG 40 HH11 ARG 40 -20.973 16.867 -6.143 292 HH12 ARG 40 HH12 ARG 40 -22.496 17.677 -6.333 293 HH21 ARG 40 HH21 ARG 40 -21.798 20.154 -3.943 294 HH22 ARG 40 HH22 ARG 40 -22.998 19.513 -5.032 295 H LEU 41 H LEU 41 -14.811 15.581 -5.486 296 HA LEU 41 HA LEU 41 -15.637 15.268 -8.218 297 HB2 LEU 41 HB2 LEU 41 -16.611 17.461 -7.697 298 HB3 LEU 41 HB3 LEU 41 -15.050 18.035 -7.144 299 HG LEU 41 HG LEU 41 -14.178 17.702 -9.467 300 HD11 LEU 41 HD11 LEU 41 -17.092 17.241 -10.087 301 HD12 LEU 41 HD12 LEU 41 -15.816 17.483 -11.279 302 HD13 LEU 41 HD13 LEU 41 -15.793 16.059 -10.239 303 HD21 LEU 41 HD21 LEU 41 -14.876 19.890 -8.646 304 HD22 LEU 41 HD22 LEU 41 -15.243 19.706 -10.361 305 HD23 LEU 41 HD23 LEU 41 -16.529 19.562 -9.162 306 H VAL 42 H VAL 42 -13.878 15.063 -9.567 307 HA VAL 42 HA VAL 42 -11.238 15.343 -8.286 308 HB VAL 42 HB VAL 42 -12.052 13.421 -10.484 309 HG11 VAL 42 HG11 VAL 42 -9.431 13.704 -9.017 310 HG12 VAL 42 HG12 VAL 42 -9.826 12.446 -10.189 311 HG13 VAL 42 HG13 VAL 42 -9.728 14.132 -10.702 312 HG21 VAL 42 HG21 VAL 42 -11.703 11.674 -8.801 313 HG22 VAL 42 HG22 VAL 42 -11.386 12.912 -7.586 314 HG23 VAL 42 HG23 VAL 42 -12.984 12.788 -8.324 315 H GLU 43 H GLU 43 -9.647 16.427 -9.361 316 HA GLU 43 HA GLU 43 -10.405 18.090 -11.582 317 HB2 GLU 43 HB2 GLU 43 -8.965 18.818 -9.639 318 HB3 GLU 43 HB3 GLU 43 -7.709 17.750 -10.248 319 HG2 GLU 43 HG2 GLU 43 -7.161 19.897 -10.998 320 HG3 GLU 43 HG3 GLU 43 -7.820 19.037 -12.389 321 HA PRO 44 HA PRO 44 -9.171 14.973 -14.573 322 HB2 PRO 44 HB2 PRO 44 -8.978 16.757 -16.686 323 HB3 PRO 44 HB3 PRO 44 -10.461 15.946 -16.175 324 HG2 PRO 44 HG2 PRO 44 -9.487 18.700 -15.538 325 HG3 PRO 44 HG3 PRO 44 -11.127 18.151 -15.919 326 HD2 PRO 44 HD2 PRO 44 -10.399 18.672 -13.405 327 HD3 PRO 44 HD3 PRO 44 -11.476 17.307 -13.779 328 H GLY 45 H GLY 45 -7.486 17.943 -13.903 329 HA2 GLY 45 HA2 GLY 45 -5.023 16.847 -15.087 330 HA3 GLY 45 HA3 GLY 45 -5.293 18.535 -14.681 331 H SER 46 H SER 46 -5.790 15.581 -12.759 332 HA SER 46 HA SER 46 -3.861 16.658 -10.804 333 HB2 SER 46 HB2 SER 46 -5.227 15.703 -9.036 334 HB3 SER 46 HB3 SER 46 -6.241 16.732 -10.045 335 HG SER 46 HG SER 46 -7.257 15.012 -10.832 336 HA PRO 47 HA PRO 47 -1.893 12.598 -10.904 337 HB2 PRO 47 HB2 PRO 47 -1.220 12.939 -8.084 338 HB3 PRO 47 HB3 PRO 47 -0.147 12.883 -9.483 339 HG2 PRO 47 HG2 PRO 47 -0.593 15.140 -8.043 340 HG3 PRO 47 HG3 PRO 47 -0.190 15.155 -9.770 341 HD2 PRO 47 HD2 PRO 47 -2.838 15.506 -8.432 342 HD3 PRO 47 HD3 PRO 47 -2.182 16.319 -9.869 343 H ALA 48 H ALA 48 -4.409 13.593 -8.832 344 HA ALA 48 HA ALA 48 -4.753 11.252 -7.280 345 HB1 ALA 48 HB1 ALA 48 -5.716 13.421 -6.666 346 HB2 ALA 48 HB2 ALA 48 -6.799 13.326 -8.055 347 HB3 ALA 48 HB3 ALA 48 -6.945 12.157 -6.743 348 H GLU 49 H GLU 49 -6.229 12.351 -10.322 349 HA GLU 49 HA GLU 49 -8.064 10.212 -10.470 350 HB2 GLU 49 HB2 GLU 49 -8.362 10.925 -12.849 351 HB3 GLU 49 HB3 GLU 49 -8.593 12.192 -11.658 352 HG2 GLU 49 HG2 GLU 49 -7.335 13.372 -13.089 353 HG3 GLU 49 HG3 GLU 49 -6.009 12.595 -12.228 354 H LYS 50 H LYS 50 -4.787 10.574 -11.734 355 HA LYS 50 HA LYS 50 -4.908 8.183 -13.299 356 HB2 LYS 50 HB2 LYS 50 -2.469 8.387 -13.473 357 HB3 LYS 50 HB3 LYS 50 -3.288 9.890 -13.866 358 HG2 LYS 50 HG2 LYS 50 -2.513 10.961 -11.987 359 HG3 LYS 50 HG3 LYS 50 -2.291 9.456 -11.090 360 HD2 LYS 50 HD2 LYS 50 -0.157 10.523 -11.761 361 HD3 LYS 50 HD3 LYS 50 -0.361 8.896 -12.413 362 HE2 LYS 50 HE2 LYS 50 -1.220 9.971 -14.520 363 HE3 LYS 50 HE3 LYS 50 -0.698 11.517 -13.852 364 HZ1 LYS 50 HZ1 LYS 50 1.558 10.697 -13.753 365 HZ2 LYS 50 HZ2 LYS 50 1.067 9.177 -14.331 366 HZ3 LYS 50 HZ3 LYS 50 0.961 10.537 -15.334 367 H ALA 51 H ALA 51 -4.280 8.890 -9.981 368 HA ALA 51 HA ALA 51 -2.935 6.465 -9.333 369 HB1 ALA 51 HB1 ALA 51 -2.790 8.436 -7.899 370 HB2 ALA 51 HB2 ALA 51 -4.519 8.331 -7.562 371 HB3 ALA 51 HB3 ALA 51 -3.431 7.058 -7.005 372 H GLY 52 H GLY 52 -6.095 7.161 -10.225 373 HA2 GLY 52 HA2 GLY 52 -7.693 5.450 -10.631 374 HA3 GLY 52 HA3 GLY 52 -6.958 4.495 -9.353 375 H LEU 53 H LEU 53 -7.383 7.731 -8.491 376 HA LEU 53 HA LEU 53 -9.544 7.062 -6.693 377 HB2 LEU 53 HB2 LEU 53 -7.575 8.437 -6.026 378 HB3 LEU 53 HB3 LEU 53 -8.107 9.684 -7.134 379 HG LEU 53 HG LEU 53 -10.097 8.863 -5.112 380 HD11 LEU 53 HD11 LEU 53 -9.007 10.220 -3.364 381 HD12 LEU 53 HD12 LEU 53 -8.093 8.764 -3.761 382 HD13 LEU 53 HD13 LEU 53 -7.567 10.331 -4.379 383 HD21 LEU 53 HD21 LEU 53 -10.495 10.695 -6.682 384 HD22 LEU 53 HD22 LEU 53 -10.446 11.283 -5.019 385 HD23 LEU 53 HD23 LEU 53 -9.060 11.528 -6.083 386 H LEU 54 H LEU 54 -11.628 7.417 -7.084 387 HA LEU 54 HA LEU 54 -12.324 8.924 -9.516 388 HB2 LEU 54 HB2 LEU 54 -13.833 6.756 -8.057 389 HB3 LEU 54 HB3 LEU 54 -14.412 7.595 -9.482 390 HG LEU 54 HG LEU 54 -11.955 5.843 -9.371 391 HD11 LEU 54 HD11 LEU 54 -13.968 4.529 -9.146 392 HD12 LEU 54 HD12 LEU 54 -14.699 5.354 -10.524 393 HD13 LEU 54 HD13 LEU 54 -13.294 4.310 -10.760 394 HD21 LEU 54 HD21 LEU 54 -11.955 6.078 -11.802 395 HD22 LEU 54 HD22 LEU 54 -13.318 7.194 -11.699 396 HD23 LEU 54 HD23 LEU 54 -11.758 7.639 -11.007 397 H ALA 55 H ALA 55 -14.456 9.989 -9.487 398 HA ALA 55 HA ALA 55 -14.608 11.697 -7.150 399 HB1 ALA 55 HB1 ALA 55 -14.690 12.682 -9.382 400 HB2 ALA 55 HB2 ALA 55 -16.165 11.781 -9.732 401 HB3 ALA 55 HB3 ALA 55 -16.167 13.026 -8.482 402 H GLY 56 H GLY 56 -15.375 9.035 -6.660 403 HA2 GLY 56 HA2 GLY 56 -17.912 9.509 -5.414 404 HA3 GLY 56 HA3 GLY 56 -18.019 8.361 -6.743 405 H ASP 57 H ASP 57 -15.177 8.668 -4.759 406 HA ASP 57 HA ASP 57 -15.660 5.948 -3.748 407 HB2 ASP 57 HB2 ASP 57 -13.078 7.507 -4.032 408 HB3 ASP 57 HB3 ASP 57 -13.203 5.898 -3.330 409 H ARG 58 H ARG 58 -14.810 5.496 -1.548 410 HA ARG 58 HA ARG 58 -15.007 7.879 0.175 411 HB2 ARG 58 HB2 ARG 58 -15.874 6.471 1.949 412 HB3 ARG 58 HB3 ARG 58 -16.870 6.301 0.515 413 HG2 ARG 58 HG2 ARG 58 -15.801 4.169 0.010 414 HG3 ARG 58 HG3 ARG 58 -14.773 4.346 1.434 415 HD2 ARG 58 HD2 ARG 58 -17.767 4.007 1.349 416 HD3 ARG 58 HD3 ARG 58 -16.574 2.899 2.029 417 HE ARG 58 HE ARG 58 -17.288 5.521 3.166 418 HH11 ARG 58 HH11 ARG 58 -16.190 2.213 3.546 419 HH12 ARG 58 HH12 ARG 58 -15.930 2.377 5.254 420 HH21 ARG 58 HH21 ARG 58 -16.980 5.707 5.421 421 HH22 ARG 58 HH22 ARG 58 -16.341 4.365 6.326 422 H LEU 59 H LEU 59 -13.423 8.271 1.613 423 HA LEU 59 HA LEU 59 -10.987 6.699 1.335 424 HB2 LEU 59 HB2 LEU 59 -10.887 9.165 1.206 425 HB3 LEU 59 HB3 LEU 59 -11.500 9.268 2.845 426 HG LEU 59 HG LEU 59 -9.464 8.096 3.647 427 HD11 LEU 59 HD11 LEU 59 -8.533 8.412 0.795 428 HD12 LEU 59 HD12 LEU 59 -7.559 7.849 2.153 429 HD13 LEU 59 HD13 LEU 59 -8.926 6.887 1.590 430 HD21 LEU 59 HD21 LEU 59 -8.934 10.585 2.028 431 HD22 LEU 59 HD22 LEU 59 -9.609 10.541 3.656 432 HD23 LEU 59 HD23 LEU 59 -7.961 9.987 3.371 433 H VAL 60 H VAL 60 -10.515 5.137 2.710 434 HA VAL 60 HA VAL 60 -11.863 5.130 5.314 435 HB VAL 60 HB VAL 60 -11.121 2.668 5.349 436 HG11 VAL 60 HG11 VAL 60 -13.434 3.376 5.078 437 HG12 VAL 60 HG12 VAL 60 -13.171 3.625 3.352 438 HG13 VAL 60 HG13 VAL 60 -13.086 1.999 4.031 439 HG21 VAL 60 HG21 VAL 60 -10.833 1.629 3.158 440 HG22 VAL 60 HG22 VAL 60 -10.866 3.217 2.391 441 HG23 VAL 60 HG23 VAL 60 -9.544 2.790 3.477 442 H GLU 61 H GLU 61 -8.673 4.692 3.814 443 HA GLU 61 HA GLU 61 -7.492 5.087 6.480 444 HB2 GLU 61 HB2 GLU 61 -6.145 3.261 4.538 445 HB3 GLU 61 HB3 GLU 61 -6.037 3.308 6.287 446 HG2 GLU 61 HG2 GLU 61 -8.571 2.453 4.970 447 HG3 GLU 61 HG3 GLU 61 -7.222 1.331 5.118 448 H VAL 62 H VAL 62 -5.481 6.103 6.507 449 HA VAL 62 HA VAL 62 -4.471 7.100 3.919 450 HB VAL 62 HB VAL 62 -4.365 8.488 6.608 451 HG11 VAL 62 HG11 VAL 62 -3.160 9.327 3.971 452 HG12 VAL 62 HG12 VAL 62 -3.202 10.306 5.437 453 HG13 VAL 62 HG13 VAL 62 -2.269 8.808 5.401 454 HG21 VAL 62 HG21 VAL 62 -5.667 10.238 5.515 455 HG22 VAL 62 HG22 VAL 62 -5.702 9.294 4.026 456 HG23 VAL 62 HG23 VAL 62 -6.521 8.695 5.468 457 H ASN 63 H ASN 63 -2.690 6.058 3.408 458 HA ASN 63 HA ASN 63 -0.601 5.207 3.472 459 HB2 ASN 63 HB2 ASN 63 -0.535 6.859 5.974 460 HB3 ASN 63 HB3 ASN 63 0.825 5.822 5.557 461 HD21 ASN 63 HD21 ASN 63 0.594 8.765 5.688 462 HD22 ASN 63 HD22 ASN 63 1.100 9.331 4.139 463 H GLY 64 H GLY 64 -2.992 4.125 5.405 464 HA2 GLY 64 HA2 GLY 64 -2.795 1.611 5.556 465 HA3 GLY 64 HA3 GLY 64 -1.314 1.928 6.442 466 H GLU 65 H GLU 65 -3.064 4.355 7.520 467 HA GLU 65 HA GLU 65 -4.269 2.747 9.674 468 HB2 GLU 65 HB2 GLU 65 -3.929 4.717 11.122 469 HB3 GLU 65 HB3 GLU 65 -2.420 4.100 10.467 470 HG2 GLU 65 HG2 GLU 65 -2.496 5.870 8.742 471 HG3 GLU 65 HG3 GLU 65 -3.935 6.521 9.526 472 H ASN 66 H ASN 66 -6.317 3.279 10.431 473 HA ASN 66 HA ASN 66 -8.063 4.238 8.389 474 HB2 ASN 66 HB2 ASN 66 -8.688 2.382 9.883 475 HB3 ASN 66 HB3 ASN 66 -8.699 3.495 11.247 476 HD21 ASN 66 HD21 ASN 66 -10.288 2.569 8.284 477 HD22 ASN 66 HD22 ASN 66 -11.800 3.366 8.626 478 H VAL 67 H VAL 67 -9.120 6.099 8.189 479 HA VAL 67 HA VAL 67 -8.634 8.144 10.266 480 HB VAL 67 HB VAL 67 -8.619 9.835 8.472 481 HG11 VAL 67 HG11 VAL 67 -6.519 8.947 9.299 482 HG12 VAL 67 HG12 VAL 67 -6.605 7.609 8.149 483 HG13 VAL 67 HG13 VAL 67 -6.399 9.264 7.567 484 HG21 VAL 67 HG21 VAL 67 -8.425 9.143 6.130 485 HG22 VAL 67 HG22 VAL 67 -8.658 7.460 6.605 486 HG23 VAL 67 HG23 VAL 67 -9.963 8.626 6.821 487 H GLU 68 H GLU 68 -10.983 6.303 9.781 488 HA GLU 68 HA GLU 68 -13.096 8.007 8.814 489 HB2 GLU 68 HB2 GLU 68 -13.131 5.327 10.195 490 HB3 GLU 68 HB3 GLU 68 -14.582 6.157 9.652 491 HG2 GLU 68 HG2 GLU 68 -13.773 6.061 7.351 492 HG3 GLU 68 HG3 GLU 68 -12.319 5.223 7.902 493 H LYS 69 H LYS 69 -11.692 7.297 11.938 494 HA LYS 69 HA LYS 69 -14.079 8.317 13.280 495 HB2 LYS 69 HB2 LYS 69 -11.591 7.242 14.602 496 HB3 LYS 69 HB3 LYS 69 -13.155 7.535 15.347 497 HG2 LYS 69 HG2 LYS 69 -13.265 5.278 15.083 498 HG3 LYS 69 HG3 LYS 69 -13.965 5.793 13.547 499 HD2 LYS 69 HD2 LYS 69 -11.913 5.436 12.401 500 HD3 LYS 69 HD3 LYS 69 -11.044 5.200 13.913 501 HE2 LYS 69 HE2 LYS 69 -11.347 3.043 13.012 502 HE3 LYS 69 HE3 LYS 69 -12.541 3.188 14.300 503 HZ1 LYS 69 HZ1 LYS 69 -13.082 3.558 11.403 504 HZ2 LYS 69 HZ2 LYS 69 -13.469 2.175 12.302 505 HZ3 LYS 69 HZ3 LYS 69 -14.231 3.648 12.645 506 H GLU 70 H GLU 70 -11.717 9.722 11.781 507 HA GLU 70 HA GLU 70 -10.797 11.624 13.755 508 HB2 GLU 70 HB2 GLU 70 -10.590 11.768 10.741 509 HB3 GLU 70 HB3 GLU 70 -9.631 12.665 11.908 510 HG2 GLU 70 HG2 GLU 70 -9.565 9.683 11.513 511 HG3 GLU 70 HG3 GLU 70 -8.387 10.831 10.882 512 H THR 71 H THR 71 -10.965 14.028 12.333 513 HA THR 71 HA THR 71 -13.862 14.433 12.003 514 HB THR 71 HB THR 71 -13.561 16.763 12.483 515 HG1 THR 71 HG1 THR 71 -11.579 17.733 12.615 516 HG21 THR 71 HG21 THR 71 -13.624 15.313 14.463 517 HG22 THR 71 HG22 THR 71 -11.864 15.189 14.425 518 HG23 THR 71 HG23 THR 71 -12.632 16.743 14.746 519 H HIS 72 H HIS 72 -14.380 16.113 10.240 520 HA HIS 72 HA HIS 72 -13.387 15.201 7.795 521 HB2 HIS 72 HB2 HIS 72 -15.526 16.378 7.968 522 HB3 HIS 72 HB3 HIS 72 -14.692 17.863 8.409 523 HD1 HIS 72 HD1 HIS 72 -14.841 15.452 5.456 524 HD2 HIS 72 HD2 HIS 72 -14.133 19.466 6.304 525 HE1 HIS 72 HE1 HIS 72 -14.587 16.584 3.222 526 HE2 HIS 72 HE2 HIS 72 -14.105 19.005 3.755 527 H GLN 73 H GLN 73 -12.485 18.037 9.696 528 HA GLN 73 HA GLN 73 -10.549 19.103 7.976 529 HB2 GLN 73 HB2 GLN 73 -11.350 20.355 9.876 530 HB3 GLN 73 HB3 GLN 73 -10.750 19.134 10.989 531 HG2 GLN 73 HG2 GLN 73 -8.435 19.674 10.175 532 HG3 GLN 73 HG3 GLN 73 -9.140 21.039 9.307 533 HE21 GLN 73 HE21 GLN 73 -8.337 19.715 12.410 534 HE22 GLN 73 HE22 GLN 73 -8.593 21.162 13.329 535 H GLN 74 H GLN 74 -10.241 16.702 10.580 536 HA GLN 74 HA GLN 74 -7.423 16.545 10.428 537 HB2 GLN 74 HB2 GLN 74 -9.429 14.597 11.561 538 HB3 GLN 74 HB3 GLN 74 -7.687 14.460 11.764 539 HG2 GLN 74 HG2 GLN 74 -9.365 16.777 12.701 540 HG3 GLN 74 HG3 GLN 74 -8.812 15.445 13.713 541 HE21 GLN 74 HE21 GLN 74 -7.734 16.906 15.057 542 HE22 GLN 74 HE22 GLN 74 -6.237 17.642 14.584 543 H VAL 75 H VAL 75 -10.008 14.732 8.858 544 HA VAL 75 HA VAL 75 -8.434 12.723 7.688 545 HB VAL 75 HB VAL 75 -10.945 14.010 6.599 546 HG11 VAL 75 HG11 VAL 75 -9.658 11.376 5.880 547 HG12 VAL 75 HG12 VAL 75 -11.220 11.953 5.298 548 HG13 VAL 75 HG13 VAL 75 -9.744 12.805 4.852 549 HG21 VAL 75 HG21 VAL 75 -12.107 12.125 7.614 550 HG22 VAL 75 HG22 VAL 75 -10.583 11.510 8.248 551 HG23 VAL 75 HG23 VAL 75 -11.225 13.046 8.830 552 H VAL 76 H VAL 76 -9.401 15.909 6.439 553 HA VAL 76 HA VAL 76 -7.980 15.724 4.005 554 HB VAL 76 HB VAL 76 -8.714 18.218 5.559 555 HG11 VAL 76 HG11 VAL 76 -7.059 18.659 3.818 556 HG12 VAL 76 HG12 VAL 76 -8.092 17.863 2.629 557 HG13 VAL 76 HG13 VAL 76 -8.626 19.356 3.400 558 HG21 VAL 76 HG21 VAL 76 -10.672 16.864 5.146 559 HG22 VAL 76 HG22 VAL 76 -10.695 18.279 4.094 560 HG23 VAL 76 HG23 VAL 76 -10.240 16.705 3.443 561 H SER 77 H SER 77 -7.113 16.880 7.207 562 HA SER 77 HA SER 77 -4.606 17.980 6.577 563 HB2 SER 77 HB2 SER 77 -5.541 16.762 9.182 564 HB3 SER 77 HB3 SER 77 -4.156 17.836 8.982 565 HG SER 77 HG SER 77 -6.909 18.425 8.640 566 H ARG 78 H ARG 78 -5.599 14.676 7.303 567 HA ARG 78 HA ARG 78 -3.109 13.487 7.729 568 HB2 ARG 78 HB2 ARG 78 -5.576 12.398 6.355 569 HB3 ARG 78 HB3 ARG 78 -4.199 11.414 6.825 570 HG2 ARG 78 HG2 ARG 78 -5.740 13.057 8.802 571 HG3 ARG 78 HG3 ARG 78 -6.214 11.420 8.355 572 HD2 ARG 78 HD2 ARG 78 -3.889 10.693 8.975 573 HD3 ARG 78 HD3 ARG 78 -3.646 12.308 9.638 574 HE ARG 78 HE ARG 78 -5.785 11.652 10.984 575 HH11 ARG 78 HH11 ARG 78 -3.036 9.646 10.183 576 HH12 ARG 78 HH12 ARG 78 -3.258 8.574 11.539 577 HH21 ARG 78 HH21 ARG 78 -6.092 10.251 12.766 578 HH22 ARG 78 HH22 ARG 78 -5.002 8.905 13.002 579 H ILE 79 H ILE 79 -4.884 14.068 4.741 580 HA ILE 79 HA ILE 79 -2.963 12.871 3.024 581 HB ILE 79 HB ILE 79 -5.040 14.919 2.242 582 HG12 ILE 79 HG12 ILE 79 -5.385 11.921 2.517 583 HG13 ILE 79 HG13 ILE 79 -6.037 13.116 3.634 584 HG21 ILE 79 HG21 ILE 79 -3.440 14.360 0.498 585 HG22 ILE 79 HG22 ILE 79 -3.751 12.641 0.738 586 HG23 ILE 79 HG23 ILE 79 -5.025 13.688 0.111 587 HD11 ILE 79 HD11 ILE 79 -7.404 14.040 1.828 588 HD12 ILE 79 HD12 ILE 79 -6.763 12.816 0.729 589 HD13 ILE 79 HD13 ILE 79 -7.744 12.333 2.114 590 H ARG 80 H ARG 80 -3.586 16.160 4.118 591 HA ARG 80 HA ARG 80 -1.760 17.423 2.338 592 HB2 ARG 80 HB2 ARG 80 -3.077 18.346 4.883 593 HB3 ARG 80 HB3 ARG 80 -1.984 19.364 3.956 594 HG2 ARG 80 HG2 ARG 80 -3.453 19.152 2.007 595 HG3 ARG 80 HG3 ARG 80 -4.563 18.172 2.966 596 HD2 ARG 80 HD2 ARG 80 -4.941 20.027 4.478 597 HD3 ARG 80 HD3 ARG 80 -3.760 21.005 3.607 598 HE ARG 80 HE ARG 80 -5.633 20.234 1.737 599 HH11 ARG 80 HH11 ARG 80 -5.649 22.035 4.727 600 HH12 ARG 80 HH12 ARG 80 -6.954 23.078 4.248 601 HH21 ARG 80 HH21 ARG 80 -7.381 21.569 1.104 602 HH22 ARG 80 HH22 ARG 80 -7.969 22.786 2.202 603 H ALA 81 H ALA 81 -1.392 15.817 5.370 604 HA ALA 81 HA ALA 81 0.964 17.106 6.266 605 HB1 ALA 81 HB1 ALA 81 -0.542 15.795 7.717 606 HB2 ALA 81 HB2 ALA 81 0.016 14.322 6.922 607 HB3 ALA 81 HB3 ALA 81 1.147 15.303 7.854 608 H ALA 82 H ALA 82 0.458 15.000 3.702 609 HA ALA 82 HA ALA 82 3.041 13.710 3.800 610 HB1 ALA 82 HB1 ALA 82 0.940 13.727 1.642 611 HB2 ALA 82 HB2 ALA 82 2.377 12.705 1.674 612 HB3 ALA 82 HB3 ALA 82 1.127 12.508 2.903 613 H LEU 83 H LEU 83 4.832 14.350 2.850 614 HA LEU 83 HA LEU 83 5.032 16.968 1.742 615 HB2 LEU 83 HB2 LEU 83 7.061 14.733 1.773 616 HB3 LEU 83 HB3 LEU 83 7.397 16.419 1.435 617 HG LEU 83 HG LEU 83 6.368 15.372 4.071 618 HD11 LEU 83 HD11 LEU 83 8.617 15.772 4.905 619 HD12 LEU 83 HD12 LEU 83 8.634 14.586 3.599 620 HD13 LEU 83 HD13 LEU 83 9.145 16.246 3.290 621 HD21 LEU 83 HD21 LEU 83 7.387 18.096 3.269 622 HD22 LEU 83 HD22 LEU 83 5.713 17.677 3.632 623 HD23 LEU 83 HD23 LEU 83 6.935 17.602 4.901 624 H ASN 84 H ASN 84 5.849 13.804 0.325 625 HA ASN 84 HA ASN 84 5.422 14.986 -2.332 626 HB2 ASN 84 HB2 ASN 84 7.680 14.240 -2.110 627 HB3 ASN 84 HB3 ASN 84 7.170 12.703 -1.424 628 HD21 ASN 84 HD21 ASN 84 5.830 14.349 -4.258 629 HD22 ASN 84 HD22 ASN 84 6.249 13.098 -5.380 630 H ALA 85 H ALA 85 5.193 11.767 -0.782 631 HA ALA 85 HA ALA 85 2.842 11.278 -2.482 632 HB1 ALA 85 HB1 ALA 85 4.987 9.284 -1.752 633 HB2 ALA 85 HB2 ALA 85 3.541 8.950 -2.705 634 HB3 ALA 85 HB3 ALA 85 4.775 10.044 -3.329 635 H VAL 86 H VAL 86 1.134 10.316 -1.588 636 HA VAL 86 HA VAL 86 1.340 9.203 1.122 637 HB VAL 86 HB VAL 86 0.480 11.408 1.496 638 HG11 VAL 86 HG11 VAL 86 -0.217 11.971 -0.755 639 HG12 VAL 86 HG12 VAL 86 -1.567 10.844 -0.636 640 HG13 VAL 86 HG13 VAL 86 -1.525 12.277 0.390 641 HG21 VAL 86 HG21 VAL 86 -1.785 9.422 1.531 642 HG22 VAL 86 HG22 VAL 86 -0.592 9.676 2.805 643 HG23 VAL 86 HG23 VAL 86 -1.753 10.947 2.416 644 H ARG 87 H ARG 87 0.094 7.385 1.438 645 HA ARG 87 HA ARG 87 -1.081 6.264 -0.991 646 HB2 ARG 87 HB2 ARG 87 -0.679 4.917 1.686 647 HB3 ARG 87 HB3 ARG 87 -1.037 4.139 0.153 648 HG2 ARG 87 HG2 ARG 87 1.159 5.006 -0.690 649 HG3 ARG 87 HG3 ARG 87 1.510 5.508 0.965 650 HD2 ARG 87 HD2 ARG 87 0.963 2.700 0.006 651 HD3 ARG 87 HD3 ARG 87 2.517 3.352 0.521 652 HE ARG 87 HE ARG 87 1.063 3.719 2.721 653 HH11 ARG 87 HH11 ARG 87 1.414 0.949 0.627 654 HH12 ARG 87 HH12 ARG 87 1.045 -0.218 1.861 655 HH21 ARG 87 HH21 ARG 87 0.580 2.188 4.386 656 HH22 ARG 87 HH22 ARG 87 0.555 0.485 4.002 657 H LEU 88 H LEU 88 -3.130 6.763 -1.337 658 HA LEU 88 HA LEU 88 -4.969 7.078 0.923 659 HB2 LEU 88 HB2 LEU 88 -5.197 7.771 -2.008 660 HB3 LEU 88 HB3 LEU 88 -6.546 7.882 -0.899 661 HG LEU 88 HG LEU 88 -5.616 10.074 -1.259 662 HD11 LEU 88 HD11 LEU 88 -6.462 9.612 0.969 663 HD12 LEU 88 HD12 LEU 88 -4.872 9.031 1.467 664 HD13 LEU 88 HD13 LEU 88 -5.098 10.727 1.038 665 HD21 LEU 88 HD21 LEU 88 -3.002 8.958 -0.282 666 HD22 LEU 88 HD22 LEU 88 -3.376 9.454 -1.932 667 HD23 LEU 88 HD23 LEU 88 -3.342 10.651 -0.638 668 H LEU 89 H LEU 89 -6.062 5.275 1.527 669 HA LEU 89 HA LEU 89 -6.517 3.205 -0.486 670 HB2 LEU 89 HB2 LEU 89 -5.761 2.731 1.932 671 HB3 LEU 89 HB3 LEU 89 -7.418 3.089 2.385 672 HG LEU 89 HG LEU 89 -7.959 1.289 0.520 673 HD11 LEU 89 HD11 LEU 89 -5.243 0.405 1.483 674 HD12 LEU 89 HD12 LEU 89 -6.331 -0.480 0.413 675 HD13 LEU 89 HD13 LEU 89 -5.595 1.027 -0.131 676 HD21 LEU 89 HD21 LEU 89 -8.001 -0.423 2.267 677 HD22 LEU 89 HD22 LEU 89 -7.005 0.610 3.293 678 HD23 LEU 89 HD23 LEU 89 -8.629 1.124 2.834 679 H VAL 90 H VAL 90 -8.330 3.212 -1.627 680 HA VAL 90 HA VAL 90 -10.688 4.538 -0.478 681 HB VAL 90 HB VAL 90 -11.228 5.449 -2.742 682 HG11 VAL 90 HG11 VAL 90 -8.636 6.418 -1.546 683 HG12 VAL 90 HG12 VAL 90 -9.703 7.345 -2.599 684 HG13 VAL 90 HG13 VAL 90 -10.254 6.854 -0.997 685 HG21 VAL 90 HG21 VAL 90 -9.889 4.026 -4.154 686 HG22 VAL 90 HG22 VAL 90 -9.353 5.696 -4.359 687 HG23 VAL 90 HG23 VAL 90 -8.406 4.579 -3.373 688 H VAL 91 H VAL 91 -12.698 3.831 -1.259 689 HA VAL 91 HA VAL 91 -12.759 1.518 -3.011 690 HB VAL 91 HB VAL 91 -12.423 0.549 -0.764 691 HG11 VAL 91 HG11 VAL 91 -14.160 0.739 0.948 692 HG12 VAL 91 HG12 VAL 91 -13.432 2.304 0.584 693 HG13 VAL 91 HG13 VAL 91 -15.024 1.902 -0.059 694 HG21 VAL 91 HG21 VAL 91 -14.335 -0.991 -0.782 695 HG22 VAL 91 HG22 VAL 91 -15.174 0.078 -1.906 696 HG23 VAL 91 HG23 VAL 91 -13.682 -0.722 -2.398 697 H ASP 92 H ASP 92 -14.773 1.199 -3.967 698 HA ASP 92 HA ASP 92 -16.502 3.443 -4.171 699 HB2 ASP 92 HB2 ASP 92 -17.575 0.767 -4.883 700 HB3 ASP 92 HB3 ASP 92 -17.547 2.250 -5.829 701 HA PRO 93 HA PRO 93 -18.833 2.834 -0.425 702 HB2 PRO 93 HB2 PRO 93 -20.956 4.267 -1.919 703 HB3 PRO 93 HB3 PRO 93 -20.215 4.658 -0.364 704 HG2 PRO 93 HG2 PRO 93 -19.636 6.068 -2.551 705 HG3 PRO 93 HG3 PRO 93 -18.392 5.697 -1.341 706 HD2 PRO 93 HD2 PRO 93 -18.881 4.442 -4.010 707 HD3 PRO 93 HD3 PRO 93 -17.344 4.834 -3.213 708 H GLU 94 H GLU 94 -20.156 2.188 -3.609 709 HA GLU 94 HA GLU 94 -22.337 0.581 -2.755 710 HB2 GLU 94 HB2 GLU 94 -20.835 0.577 -5.388 711 HB3 GLU 94 HB3 GLU 94 -22.364 -0.234 -5.098 712 HG2 GLU 94 HG2 GLU 94 -22.852 1.767 -6.248 713 HG3 GLU 94 HG3 GLU 94 -23.352 2.009 -4.577 714 H THR 95 H THR 95 -19.018 -0.111 -3.752 715 HA THR 95 HA THR 95 -19.219 -2.938 -3.514 716 HB THR 95 HB THR 95 -16.684 -1.296 -3.360 717 HG1 THR 95 HG1 THR 95 -16.724 -1.135 -5.540 718 HG21 THR 95 HG21 THR 95 -17.222 -4.071 -4.429 719 HG22 THR 95 HG22 THR 95 -15.658 -3.259 -4.383 720 HG23 THR 95 HG23 THR 95 -16.464 -3.703 -2.878 721 H ASP 96 H ASP 96 -18.443 -0.315 -1.359 722 HA ASP 96 HA ASP 96 -17.121 -1.658 0.706 723 HB2 ASP 96 HB2 ASP 96 -17.334 0.812 0.517 724 HB3 ASP 96 HB3 ASP 96 -19.034 0.682 0.949 725 H GLU 97 H GLU 97 -20.523 -1.351 -0.035 726 HA GLU 97 HA GLU 97 -21.666 -2.398 2.281 727 HB2 GLU 97 HB2 GLU 97 -22.550 -2.650 -0.603 728 HB3 GLU 97 HB3 GLU 97 -23.561 -3.014 0.790 729 HG2 GLU 97 HG2 GLU 97 -23.650 -0.767 1.448 730 HG3 GLU 97 HG3 GLU 97 -22.308 -0.322 0.395 731 H GLN 98 H GLN 98 -20.464 -4.037 -0.620 732 HA GLN 98 HA GLN 98 -21.055 -6.668 0.320 733 HB2 GLN 98 HB2 GLN 98 -20.833 -6.125 -2.077 734 HB3 GLN 98 HB3 GLN 98 -19.130 -5.773 -1.834 735 HG2 GLN 98 HG2 GLN 98 -19.398 -7.959 -2.808 736 HG3 GLN 98 HG3 GLN 98 -18.747 -8.099 -1.176 737 HE21 GLN 98 HE21 GLN 98 -20.007 -8.992 0.445 738 HE22 GLN 98 HE22 GLN 98 -21.451 -9.884 0.103 739 H LEU 99 H LEU 99 -18.232 -4.571 0.386 740 HA LEU 99 HA LEU 99 -16.333 -6.545 1.096 741 HB2 LEU 99 HB2 LEU 99 -16.211 -3.579 1.589 742 HB3 LEU 99 HB3 LEU 99 -14.859 -4.690 1.646 743 HG LEU 99 HG LEU 99 -16.257 -3.524 -0.695 744 HD11 LEU 99 HD11 LEU 99 -13.963 -3.459 -1.536 745 HD12 LEU 99 HD12 LEU 99 -14.110 -2.691 0.047 746 HD13 LEU 99 HD13 LEU 99 -13.424 -4.311 -0.090 747 HD21 LEU 99 HD21 LEU 99 -16.638 -5.928 -1.001 748 HD22 LEU 99 HD22 LEU 99 -15.497 -5.286 -2.180 749 HD23 LEU 99 HD23 LEU 99 -14.908 -6.219 -0.803 750 H GLN 100 H GLN 100 -18.209 -4.245 3.033 751 HA GLN 100 HA GLN 100 -16.944 -4.717 5.478 752 HB2 GLN 100 HB2 GLN 100 -18.871 -3.688 6.525 753 HB3 GLN 100 HB3 GLN 100 -18.439 -2.810 5.067 754 HG2 GLN 100 HG2 GLN 100 -20.247 -4.073 3.882 755 HG3 GLN 100 HG3 GLN 100 -20.741 -4.703 5.453 756 HE21 GLN 100 HE21 GLN 100 -19.512 -1.468 4.884 757 HE22 GLN 100 HE22 GLN 100 -20.988 -0.645 5.242 758 H LYS 101 H LYS 101 -19.487 -6.478 3.849 759 HA LYS 101 HA LYS 101 -20.227 -8.108 6.055 760 HB2 LYS 101 HB2 LYS 101 -20.652 -8.312 3.089 761 HB3 LYS 101 HB3 LYS 101 -21.136 -9.618 4.164 762 HG2 LYS 101 HG2 LYS 101 -22.093 -6.765 4.299 763 HG3 LYS 101 HG3 LYS 101 -23.008 -8.150 3.695 764 HD2 LYS 101 HD2 LYS 101 -22.824 -9.203 5.916 765 HD3 LYS 101 HD3 LYS 101 -21.984 -7.772 6.508 766 HE2 LYS 101 HE2 LYS 101 -23.958 -6.417 5.993 767 HE3 LYS 101 HE3 LYS 101 -24.794 -7.862 5.424 768 HZ1 LYS 101 HZ1 LYS 101 -25.468 -7.428 7.653 769 HZ2 LYS 101 HZ2 LYS 101 -24.482 -8.808 7.673 770 HZ3 LYS 101 HZ3 LYS 101 -23.860 -7.319 8.191 771 H LEU 102 H LEU 102 -17.545 -8.165 3.911 772 HA LEU 102 HA LEU 102 -16.954 -10.959 4.460 773 HB2 LEU 102 HB2 LEU 102 -15.240 -8.939 3.015 774 HB3 LEU 102 HB3 LEU 102 -15.028 -10.679 3.032 775 HG LEU 102 HG LEU 102 -17.218 -9.116 1.671 776 HD11 LEU 102 HD11 LEU 102 -16.343 -10.198 -0.336 777 HD12 LEU 102 HD12 LEU 102 -15.103 -9.242 0.474 778 HD13 LEU 102 HD13 LEU 102 -15.105 -10.997 0.632 779 HD21 LEU 102 HD21 LEU 102 -16.972 -12.110 1.947 780 HD22 LEU 102 HD22 LEU 102 -18.188 -11.099 2.729 781 HD23 LEU 102 HD23 LEU 102 -18.161 -11.246 0.971 782 H GLY 103 H GLY 103 -15.474 -7.795 5.027 783 HA2 GLY 103 HA2 GLY 103 -14.398 -6.941 6.853 784 HA3 GLY 103 HA3 GLY 103 -15.147 -8.228 7.776 785 H VAL 104 H VAL 104 -13.081 -9.196 5.190 786 HA VAL 104 HA VAL 104 -11.278 -10.420 7.061 787 HB VAL 104 HB VAL 104 -10.183 -11.428 5.207 788 HG11 VAL 104 HG11 VAL 104 -13.130 -11.239 4.621 789 HG12 VAL 104 HG12 VAL 104 -12.038 -12.465 3.978 790 HG13 VAL 104 HG13 VAL 104 -12.343 -12.379 5.714 791 HG21 VAL 104 HG21 VAL 104 -11.574 -9.385 3.483 792 HG22 VAL 104 HG22 VAL 104 -9.840 -9.567 3.757 793 HG23 VAL 104 HG23 VAL 104 -10.724 -10.798 2.854 794 H GLN 105 H GLN 105 -8.873 -10.272 6.576 795 HA GLN 105 HA GLN 105 -8.012 -7.601 7.090 796 HB2 GLN 105 HB2 GLN 105 -6.573 -10.213 6.688 797 HB3 GLN 105 HB3 GLN 105 -5.727 -8.710 7.041 798 HG2 GLN 105 HG2 GLN 105 -6.646 -8.557 9.181 799 HG3 GLN 105 HG3 GLN 105 -7.921 -9.721 8.814 800 HE21 GLN 105 HE21 GLN 105 -7.473 -11.893 8.856 801 HE22 GLN 105 HE22 GLN 105 -6.024 -12.542 9.547 802 H VAL 106 H VAL 106 -9.112 -7.170 4.813 803 HA VAL 106 HA VAL 106 -7.339 -7.517 2.562 804 HB VAL 106 HB VAL 106 -9.868 -7.488 2.429 805 HG11 VAL 106 HG11 VAL 106 -9.455 -4.520 2.745 806 HG12 VAL 106 HG12 VAL 106 -10.960 -5.298 2.256 807 HG13 VAL 106 HG13 VAL 106 -10.301 -5.586 3.867 808 HG21 VAL 106 HG21 VAL 106 -8.494 -7.339 0.439 809 HG22 VAL 106 HG22 VAL 106 -9.914 -6.308 0.279 810 HG23 VAL 106 HG23 VAL 106 -8.344 -5.594 0.647 811 H ARG 107 H ARG 107 -7.096 -5.649 5.160 812 HA ARG 107 HA ARG 107 -7.125 -2.987 4.280 813 HB2 ARG 107 HB2 ARG 107 -7.120 -4.039 6.666 814 HB3 ARG 107 HB3 ARG 107 -5.372 -3.956 6.515 815 HG2 ARG 107 HG2 ARG 107 -5.463 -1.567 6.260 816 HG3 ARG 107 HG3 ARG 107 -7.229 -1.606 6.263 817 HD2 ARG 107 HD2 ARG 107 -6.837 -2.860 8.560 818 HD3 ARG 107 HD3 ARG 107 -5.315 -1.971 8.511 819 HE ARG 107 HE ARG 107 -6.905 0.036 8.097 820 HH11 ARG 107 HH11 ARG 107 -7.438 -2.644 10.302 821 HH12 ARG 107 HH12 ARG 107 -8.564 -1.766 11.285 822 HH21 ARG 107 HH21 ARG 107 -8.378 1.159 9.343 823 HH22 ARG 107 HH22 ARG 107 -9.121 0.406 10.729 824 H GLU 108 H GLU 108 -4.376 -5.199 4.813 825 HA GLU 108 HA GLU 108 -3.028 -3.947 2.555 826 HB2 GLU 108 HB2 GLU 108 -1.791 -4.189 5.298 827 HB3 GLU 108 HB3 GLU 108 -0.847 -3.958 3.835 828 HG2 GLU 108 HG2 GLU 108 -2.030 -1.842 3.422 829 HG3 GLU 108 HG3 GLU 108 -2.928 -2.071 4.920 830 H GLU 109 H GLU 109 -3.444 -6.618 4.750 831 HA GLU 109 HA GLU 109 -1.493 -8.381 3.868 832 HB2 GLU 109 HB2 GLU 109 -2.819 -8.883 5.804 833 HB3 GLU 109 HB3 GLU 109 -4.301 -8.889 4.860 834 HG2 GLU 109 HG2 GLU 109 -3.627 -11.138 5.447 835 HG3 GLU 109 HG3 GLU 109 -3.568 -10.898 3.702 836 H LEU 110 H LEU 110 -4.809 -7.997 2.606 837 HA LEU 110 HA LEU 110 -4.395 -9.839 0.462 838 HB2 LEU 110 HB2 LEU 110 -6.617 -9.253 1.470 839 HB3 LEU 110 HB3 LEU 110 -6.497 -7.683 0.707 840 HG LEU 110 HG LEU 110 -7.970 -9.421 -0.429 841 HD11 LEU 110 HD11 LEU 110 -7.306 -8.754 -2.682 842 HD12 LEU 110 HD12 LEU 110 -7.288 -7.388 -1.568 843 HD13 LEU 110 HD13 LEU 110 -5.773 -8.150 -2.052 844 HD21 LEU 110 HD21 LEU 110 -5.290 -10.539 -1.235 845 HD22 LEU 110 HD22 LEU 110 -6.476 -11.327 -0.193 846 HD23 LEU 110 HD23 LEU 110 -6.856 -11.023 -1.890 847 H LEU 111 H LEU 111 -4.224 -6.345 0.830 848 HA LEU 111 HA LEU 111 -4.034 -5.626 -1.870 849 HB2 LEU 111 HB2 LEU 111 -4.506 -4.047 -0.068 850 HB3 LEU 111 HB3 LEU 111 -2.898 -4.287 0.585 851 HG LEU 111 HG LEU 111 -1.965 -3.325 -1.519 852 HD11 LEU 111 HD11 LEU 111 -4.851 -2.656 -2.074 853 HD12 LEU 111 HD12 LEU 111 -3.460 -2.045 -2.970 854 HD13 LEU 111 HD13 LEU 111 -3.842 -3.766 -2.999 855 HD21 LEU 111 HD21 LEU 111 -2.519 -1.013 -0.946 856 HD22 LEU 111 HD22 LEU 111 -3.860 -1.584 0.048 857 HD23 LEU 111 HD23 LEU 111 -2.199 -1.984 0.491 858 H ARG 112 H ARG 112 -1.571 -6.576 0.465 859 HA ARG 112 HA ARG 112 0.550 -6.170 -1.476 860 HB2 ARG 112 HB2 ARG 112 0.624 -7.269 1.331 861 HB3 ARG 112 HB3 ARG 112 2.034 -6.959 0.329 862 HG2 ARG 112 HG2 ARG 112 0.066 -4.907 1.316 863 HG3 ARG 112 HG3 ARG 112 1.702 -5.166 1.926 864 HD2 ARG 112 HD2 ARG 112 0.997 -4.340 -0.890 865 HD3 ARG 112 HD3 ARG 112 1.549 -3.249 0.381 866 HE ARG 112 HE ARG 112 3.631 -4.675 0.400 867 HH11 ARG 112 HH11 ARG 112 1.650 -4.350 -2.464 868 HH12 ARG 112 HH12 ARG 112 2.960 -4.622 -3.570 869 HH21 ARG 112 HH21 ARG 112 5.370 -5.026 -1.033 870 HH22 ARG 112 HH22 ARG 112 5.089 -4.981 -2.752 871 H ALA 113 H ALA 113 -0.765 -7.741 -2.820 872 HA ALA 113 HA ALA 113 -0.386 -10.542 -2.328 873 HB1 ALA 113 HB1 ALA 113 -2.249 -9.722 -3.679 874 HB2 ALA 113 HB2 ALA 113 -1.115 -9.079 -4.867 875 HB3 ALA 113 HB3 ALA 113 -1.229 -10.819 -4.611 876 H GLN 114 H GLN 114 0.489 -11.250 -5.038 877 HA GLN 114 HA GLN 114 3.265 -11.367 -4.595 878 HB2 GLN 114 HB2 GLN 114 3.439 -12.445 -6.695 879 HB3 GLN 114 HB3 GLN 114 1.894 -12.932 -6.016 880 HG2 GLN 114 HG2 GLN 114 0.730 -11.391 -7.452 881 HG3 GLN 114 HG3 GLN 114 2.255 -10.772 -8.078 882 HE21 GLN 114 HE21 GLN 114 0.063 -12.006 -9.540 883 HE22 GLN 114 HE22 GLN 114 0.737 -13.398 -10.323 884 H GLU 115 H GLU 115 4.878 -10.621 -6.250 885 HA GLU 115 HA GLU 115 4.560 -7.724 -6.449 886 HB2 GLU 115 HB2 GLU 115 7.043 -7.737 -6.689 887 HB3 GLU 115 HB3 GLU 115 6.473 -8.436 -5.179 888 HG2 GLU 115 HG2 GLU 115 6.727 -10.687 -6.193 889 HG3 GLU 115 HG3 GLU 115 7.438 -9.916 -7.613 890 H ALA 116 H ALA 116 4.988 -6.586 -8.325 891 HA ALA 116 HA ALA 116 5.338 -8.182 -10.774 892 HB1 ALA 116 HB1 ALA 116 3.849 -6.632 -11.939 893 HB2 ALA 116 HB2 ALA 116 3.023 -7.418 -10.593 894 HB3 ALA 116 HB3 ALA 116 3.581 -5.751 -10.433 895 HA PRO 117 HA PRO 117 8.684 -5.057 -10.731 896 HB2 PRO 117 HB2 PRO 117 10.389 -7.097 -11.840 897 HB3 PRO 117 HB3 PRO 117 10.476 -6.350 -10.245 898 HG2 PRO 117 HG2 PRO 117 9.810 -8.977 -10.681 899 HG3 PRO 117 HG3 PRO 117 9.325 -8.048 -9.252 900 HD2 PRO 117 HD2 PRO 117 7.753 -8.710 -11.712 901 HD3 PRO 117 HD3 PRO 117 7.230 -8.668 -10.013 902 H GLY 118 H GLY 118 8.476 -3.705 -12.405 903 HA2 GLY 118 HA2 GLY 118 9.568 -4.076 -14.889 904 HA3 GLY 118 HA3 GLY 118 7.906 -4.619 -15.064 905 H GLN 119 H GLN 119 6.208 -3.073 -14.460 906 HA GLN 119 HA GLN 119 6.879 -0.490 -15.593 907 HB2 GLN 119 HB2 GLN 119 4.199 -1.599 -14.748 908 HB3 GLN 119 HB3 GLN 119 4.459 -0.122 -15.665 909 HG2 GLN 119 HG2 GLN 119 5.096 -2.923 -16.563 910 HG3 GLN 119 HG3 GLN 119 3.767 -1.912 -17.127 911 HE21 GLN 119 HE21 GLN 119 5.931 -3.150 -18.620 912 HE22 GLN 119 HE22 GLN 119 6.743 -1.858 -19.441 913 H ALA 120 H ALA 120 6.066 1.511 -14.632 914 HA ALA 120 HA ALA 120 6.342 1.449 -11.704 915 HB1 ALA 120 HB1 ALA 120 7.089 3.763 -11.866 916 HB2 ALA 120 HB2 ALA 120 8.072 2.715 -12.889 917 HB3 ALA 120 HB3 ALA 120 6.829 3.737 -13.610 918 H1 GLN 1 HT1 GLN 1 -19.134 25.140 1.200 919 H2 GLN 1 HT2 GLN 1 -17.527 24.627 1.389 920 H3 GLN 1 HT3 GLN 1 -18.777 23.486 1.309 921 HA GLN 1 HA GLN 1 -19.242 24.090 -0.968 922 HB2 GLN 1 HB2 GLN 1 -16.803 25.864 -0.712 923 HB3 GLN 1 HB3 GLN 1 -17.781 25.628 -2.157 924 HG2 GLN 1 HG2 GLN 1 -19.661 26.724 -1.096 925 HG3 GLN 1 HG3 GLN 1 -18.742 26.898 0.400 926 HE21 GLN 1 HE21 GLN 1 -19.950 28.953 -1.250 927 HE22 GLN 1 HE22 GLN 1 -18.656 30.004 -1.739 928 H ASP 2 H ASP 2 -18.263 21.953 0.273 929 HA ASP 2 HA ASP 2 -16.948 20.122 0.121 930 HB2 ASP 2 HB2 ASP 2 -15.875 21.347 -2.436 931 HB3 ASP 2 HB3 ASP 2 -15.725 19.665 -1.941 932 H THR 3 H THR 3 -14.372 19.649 -0.529 933 HA THR 3 HA THR 3 -12.772 21.811 0.629 934 HB THR 3 HB THR 3 -12.563 18.935 1.554 935 HG1 THR 3 HG1 THR 3 -14.091 21.088 2.427 936 HG21 THR 3 HG21 THR 3 -10.455 20.204 1.646 937 HG22 THR 3 HG22 THR 3 -11.259 21.462 2.584 938 HG23 THR 3 HG23 THR 3 -11.068 19.846 3.261 939 H ARG 4 H ARG 4 -11.103 22.205 -0.672 940 HA ARG 4 HA ARG 4 -10.469 20.269 -2.747 941 HB2 ARG 4 HB2 ARG 4 -10.822 22.752 -3.183 942 HB3 ARG 4 HB3 ARG 4 -9.271 23.017 -2.399 943 HG2 ARG 4 HG2 ARG 4 -8.823 21.016 -4.310 944 HG3 ARG 4 HG3 ARG 4 -9.836 22.228 -5.098 945 HD2 ARG 4 HD2 ARG 4 -7.600 22.887 -5.484 946 HD3 ARG 4 HD3 ARG 4 -8.217 23.962 -4.229 947 HE ARG 4 HE ARG 4 -6.518 21.613 -3.638 948 HH11 ARG 4 HH11 ARG 4 -7.360 24.994 -3.158 949 HH12 ARG 4 HH12 ARG 4 -6.126 25.240 -1.954 950 HH21 ARG 4 HH21 ARG 4 -4.919 21.952 -2.091 951 HH22 ARG 4 HH22 ARG 4 -4.748 23.519 -1.344 952 H LEU 5 H LEU 5 -8.677 19.097 -2.841 953 HA LEU 5 HA LEU 5 -6.558 19.620 -0.874 954 HB2 LEU 5 HB2 LEU 5 -7.757 17.117 -1.960 955 HB3 LEU 5 HB3 LEU 5 -6.056 17.100 -1.535 956 HG LEU 5 HG LEU 5 -7.988 18.152 0.473 957 HD11 LEU 5 HD11 LEU 5 -7.530 15.222 -0.058 958 HD12 LEU 5 HD12 LEU 5 -8.391 15.902 1.323 959 HD13 LEU 5 HD13 LEU 5 -9.044 16.089 -0.306 960 HD21 LEU 5 HD21 LEU 5 -6.369 17.130 1.998 961 HD22 LEU 5 HD22 LEU 5 -5.465 16.513 0.615 962 HD23 LEU 5 HD23 LEU 5 -5.592 18.252 0.880 Start of MODEL 2 1 H1 GLY 4 HT1 GLY 4 -28.476 -15.235 1.003 2 H2 GLY 4 HT2 GLY 4 -29.653 -14.395 0.114 3 H3 GLY 4 HT3 GLY 4 -28.834 -13.622 1.383 4 HA2 GLY 4 HA3 GLY 4 -27.542 -14.613 -1.094 5 HA3 GLY 4 HA2 GLY 4 -28.032 -12.946 -0.829 6 H ILE 5 H ILE 5 -25.430 -14.847 -0.870 7 HA ILE 5 HA ILE 5 -24.091 -13.339 1.279 8 HB ILE 5 HB ILE 5 -22.324 -15.044 1.235 9 HG12 ILE 5 HG12 ILE 5 -23.179 -17.284 0.067 10 HG13 ILE 5 HG13 ILE 5 -23.962 -16.132 -1.005 11 HG21 ILE 5 HG21 ILE 5 -23.601 -16.855 2.283 12 HG22 ILE 5 HG22 ILE 5 -24.136 -15.263 2.821 13 HG23 ILE 5 HG23 ILE 5 -25.091 -16.162 1.643 14 HD11 ILE 5 HD11 ILE 5 -21.836 -16.814 -1.915 15 HD12 ILE 5 HD12 ILE 5 -21.774 -15.108 -1.466 16 HD13 ILE 5 HD13 ILE 5 -21.013 -16.321 -0.434 17 H ASP 6 H ASP 6 -21.684 -12.984 0.734 18 HA ASP 6 HA ASP 6 -21.433 -12.170 -2.072 19 HB2 ASP 6 HB2 ASP 6 -20.121 -10.168 -1.175 20 HB3 ASP 6 HB3 ASP 6 -21.870 -10.125 -1.003 21 HA PRO 7 HA PRO 7 -17.587 -14.295 -1.764 22 HB2 PRO 7 HB2 PRO 7 -16.635 -13.753 -4.198 23 HB3 PRO 7 HB3 PRO 7 -18.079 -14.750 -3.986 24 HG2 PRO 7 HG2 PRO 7 -17.854 -11.873 -4.766 25 HG3 PRO 7 HG3 PRO 7 -18.944 -13.123 -5.394 26 HD2 PRO 7 HD2 PRO 7 -19.629 -11.226 -3.491 27 HD3 PRO 7 HD3 PRO 7 -20.476 -12.765 -3.745 28 H PHE 8 H PHE 8 -15.297 -13.957 -1.792 29 HA PHE 8 HA PHE 8 -14.459 -11.368 -0.888 30 HB2 PHE 8 HB2 PHE 8 -13.534 -13.523 -0.022 31 HB3 PHE 8 HB3 PHE 8 -12.796 -13.801 -1.592 32 HD1 PHE 8 HD2 PHE 8 -12.780 -11.575 1.358 33 HD2 PHE 8 HD1 PHE 8 -10.728 -12.835 -2.152 34 HE1 PHE 8 HE2 PHE 8 -10.778 -10.352 2.091 35 HE2 PHE 8 HE1 PHE 8 -8.722 -11.612 -1.420 36 HZ PHE 8 HZ PHE 8 -8.747 -10.367 0.702 37 H THR 9 H THR 9 -14.909 -10.037 -2.669 38 HA THR 9 HA THR 9 -13.157 -10.421 -4.999 39 HB THR 9 HB THR 9 -15.489 -11.098 -5.506 40 HG1 THR 9 HG1 THR 9 -15.742 -9.521 -7.327 41 HG21 THR 9 HG21 THR 9 -16.713 -9.656 -4.006 42 HG22 THR 9 HG22 THR 9 -16.131 -8.221 -4.853 43 HG23 THR 9 HG23 THR 9 -17.228 -9.341 -5.662 44 H MET 10 H MET 10 -13.903 -8.125 -6.370 45 HA MET 10 HA MET 10 -13.603 -5.886 -6.553 46 HB2 MET 10 HB2 MET 10 -15.072 -5.442 -4.725 47 HB3 MET 10 HB3 MET 10 -13.864 -5.939 -3.548 48 HG2 MET 10 HG2 MET 10 -14.106 -3.528 -3.590 49 HG3 MET 10 HG3 MET 10 -12.495 -4.009 -4.119 50 HE1 MET 10 HE1 MET 10 -13.836 -1.107 -4.550 51 HE2 MET 10 HE2 MET 10 -12.190 -1.494 -5.054 52 HE3 MET 10 HE3 MET 10 -13.310 -0.750 -6.196 53 H LEU 11 H LEU 11 -11.806 -6.803 -3.624 54 HA LEU 11 HA LEU 11 -9.662 -6.428 -2.981 55 HB2 LEU 11 HB2 LEU 11 -9.001 -6.763 -5.906 56 HB3 LEU 11 HB3 LEU 11 -7.933 -7.039 -4.543 57 HG LEU 11 HG LEU 11 -10.347 -8.687 -5.300 58 HD11 LEU 11 HD11 LEU 11 -8.383 -9.053 -6.704 59 HD12 LEU 11 HD12 LEU 11 -7.409 -9.356 -5.265 60 HD13 LEU 11 HD13 LEU 11 -8.724 -10.453 -5.688 61 HD21 LEU 11 HD21 LEU 11 -9.726 -10.144 -3.440 62 HD22 LEU 11 HD22 LEU 11 -8.465 -9.007 -2.966 63 HD23 LEU 11 HD23 LEU 11 -10.160 -8.530 -2.876 64 HA PRO 12 HA PRO 12 -10.216 -1.974 -3.948 65 HB2 PRO 12 HB2 PRO 12 -8.723 -1.836 -1.381 66 HB3 PRO 12 HB3 PRO 12 -10.196 -0.993 -1.876 67 HG2 PRO 12 HG2 PRO 12 -10.310 -3.025 -0.166 68 HG3 PRO 12 HG3 PRO 12 -11.552 -2.818 -1.416 69 HD2 PRO 12 HD2 PRO 12 -9.255 -4.731 -1.321 70 HD3 PRO 12 HD3 PRO 12 -10.911 -4.983 -1.913 71 H ARG 13 H ARG 13 -8.825 -0.437 -4.728 72 HA ARG 13 HA ARG 13 -6.060 -1.319 -5.053 73 HB2 ARG 13 HB2 ARG 13 -5.913 0.009 -6.988 74 HB3 ARG 13 HB3 ARG 13 -7.506 -0.720 -7.063 75 HG2 ARG 13 HG2 ARG 13 -7.022 2.068 -6.045 76 HG3 ARG 13 HG3 ARG 13 -7.342 1.697 -7.736 77 HD2 ARG 13 HD2 ARG 13 -9.471 0.544 -6.876 78 HD3 ARG 13 HD3 ARG 13 -9.165 1.405 -5.365 79 HE ARG 13 HE ARG 13 -9.189 3.003 -7.797 80 HH11 ARG 13 HH11 ARG 13 -10.985 1.971 -4.955 81 HH12 ARG 13 HH12 ARG 13 -12.135 3.277 -5.070 82 HH21 ARG 13 HH21 ARG 13 -10.685 4.698 -7.911 83 HH22 ARG 13 HH22 ARG 13 -11.965 4.819 -6.728 84 H LEU 14 H LEU 14 -4.323 -0.051 -4.519 85 HA LEU 14 HA LEU 14 -4.863 2.002 -2.521 86 HB2 LEU 14 HB2 LEU 14 -3.220 0.057 -2.251 87 HB3 LEU 14 HB3 LEU 14 -2.192 0.908 -3.384 88 HG LEU 14 HG LEU 14 -1.625 1.187 -0.947 89 HD11 LEU 14 HD11 LEU 14 -2.237 3.697 -2.501 90 HD12 LEU 14 HD12 LEU 14 -1.132 3.572 -1.132 91 HD13 LEU 14 HD13 LEU 14 -0.775 2.721 -2.634 92 HD21 LEU 14 HD21 LEU 14 -3.926 1.363 -0.119 93 HD22 LEU 14 HD22 LEU 14 -2.943 2.743 0.367 94 HD23 LEU 14 HD23 LEU 14 -4.100 2.908 -0.953 95 H CYS 15 H CYS 15 -4.836 4.084 -3.058 96 HA CYS 15 HA CYS 15 -3.716 4.799 -5.666 97 HB2 CYS 15 HB2 CYS 15 -5.662 6.276 -3.884 98 HB3 CYS 15 HB3 CYS 15 -5.090 6.852 -5.447 99 HG CYS 15 HG CYS 15 -6.130 4.461 -6.727 100 H CYS 16 H CYS 16 -1.674 5.410 -5.539 101 HA CYS 16 HA CYS 16 -0.661 6.868 -3.268 102 HB2 CYS 16 HB2 CYS 16 1.456 6.913 -4.612 103 HB3 CYS 16 HB3 CYS 16 0.831 5.292 -4.322 104 HG CYS 16 HG CYS 16 0.151 6.934 -7.232 105 H LEU 17 H LEU 17 -1.304 8.921 -3.087 106 HA LEU 17 HA LEU 17 -1.702 10.508 -5.489 107 HB2 LEU 17 HB2 LEU 17 -2.596 10.669 -2.702 108 HB3 LEU 17 HB3 LEU 17 -2.142 12.217 -3.390 109 HG LEU 17 HG LEU 17 -4.491 11.925 -3.698 110 HD11 LEU 17 HD11 LEU 17 -3.116 11.375 -6.317 111 HD12 LEU 17 HD12 LEU 17 -4.692 12.134 -6.087 112 HD13 LEU 17 HD13 LEU 17 -3.232 12.954 -5.535 113 HD21 LEU 17 HD21 LEU 17 -5.452 10.042 -4.919 114 HD22 LEU 17 HD22 LEU 17 -3.852 9.312 -5.056 115 HD23 LEU 17 HD23 LEU 17 -4.603 9.498 -3.471 116 H GLU 18 H GLU 18 -0.204 11.714 -6.310 117 HA GLU 18 HA GLU 18 2.244 12.267 -4.837 118 HB2 GLU 18 HB2 GLU 18 1.568 12.992 -7.696 119 HB3 GLU 18 HB3 GLU 18 3.169 12.918 -6.962 120 HG2 GLU 18 HG2 GLU 18 1.402 10.503 -7.243 121 HG3 GLU 18 HG3 GLU 18 2.520 11.019 -8.504 122 H LYS 19 H LYS 19 2.890 14.283 -4.247 123 HA LYS 19 HA LYS 19 0.989 16.338 -3.939 124 HB2 LYS 19 HB2 LYS 19 2.855 16.130 -2.422 125 HB3 LYS 19 HB3 LYS 19 4.004 16.376 -3.729 126 HG2 LYS 19 HG2 LYS 19 3.832 18.374 -2.402 127 HG3 LYS 19 HG3 LYS 19 3.158 18.669 -4.004 128 HD2 LYS 19 HD2 LYS 19 1.815 19.641 -2.148 129 HD3 LYS 19 HD3 LYS 19 0.917 18.510 -3.163 130 HE2 LYS 19 HE2 LYS 19 0.458 18.196 -0.768 131 HE3 LYS 19 HE3 LYS 19 1.172 16.767 -1.510 132 HZ1 LYS 19 HZ1 LYS 19 2.625 18.773 0.135 133 HZ2 LYS 19 HZ2 LYS 19 2.165 17.222 0.642 134 HZ3 LYS 19 HZ3 LYS 19 3.320 17.404 -0.583 135 H GLY 20 H GLY 20 0.100 17.291 -5.628 136 HA2 GLY 20 HA2 GLY 20 1.626 17.880 -8.029 137 HA3 GLY 20 HA3 GLY 20 -0.092 18.164 -7.779 138 HA PRO 21 HA PRO 21 1.658 22.348 -8.008 139 HB2 PRO 21 HB2 PRO 21 -0.826 23.546 -8.141 140 HB3 PRO 21 HB3 PRO 21 0.091 22.968 -9.534 141 HG2 PRO 21 HG2 PRO 21 -2.146 21.653 -8.056 142 HG3 PRO 21 HG3 PRO 21 -1.827 21.700 -9.800 143 HD2 PRO 21 HD2 PRO 21 -1.270 19.528 -8.327 144 HD3 PRO 21 HD3 PRO 21 -0.232 20.025 -9.680 145 H ASN 22 H ASN 22 -1.132 21.446 -5.988 146 HA ASN 22 HA ASN 22 0.060 22.714 -3.699 147 HB2 ASN 22 HB2 ASN 22 -1.671 24.324 -3.232 148 HB3 ASN 22 HB3 ASN 22 -1.039 24.645 -4.839 149 HD21 ASN 22 HD21 ASN 22 -2.513 22.565 -6.177 150 HD22 ASN 22 HD22 ASN 22 -4.169 23.036 -6.178 151 H GLY 23 H GLY 23 -0.719 20.076 -4.385 152 HA2 GLY 23 HA2 GLY 23 -1.748 18.933 -2.250 153 HA3 GLY 23 HA3 GLY 23 -3.219 19.589 -2.962 154 H TYR 24 H TYR 24 -4.300 17.904 -3.786 155 HA TYR 24 HA TYR 24 -2.751 15.971 -5.382 156 HB2 TYR 24 HB2 TYR 24 -4.948 15.268 -3.428 157 HB3 TYR 24 HB3 TYR 24 -3.966 14.141 -4.363 158 HD1 TYR 24 HD2 TYR 24 -1.459 14.084 -3.931 159 HD2 TYR 24 HD1 TYR 24 -4.193 16.064 -1.341 160 HE1 TYR 24 HE2 TYR 24 0.244 14.101 -2.160 161 HE2 TYR 24 HE1 TYR 24 -2.494 16.095 0.435 162 HH TYR 24 HH TYR 24 -0.485 14.885 1.080 163 H GLY 25 H GLY 25 -5.605 17.882 -5.048 164 HA2 GLY 25 HA2 GLY 25 -6.635 18.753 -6.963 165 HA3 GLY 25 HA3 GLY 25 -5.949 17.447 -7.908 166 H PHE 26 H PHE 26 -7.745 16.718 -4.994 167 HA PHE 26 HA PHE 26 -10.137 16.300 -6.625 168 HB2 PHE 26 HB2 PHE 26 -10.626 14.180 -5.459 169 HB3 PHE 26 HB3 PHE 26 -9.159 14.097 -6.422 170 HD1 PHE 26 HD2 PHE 26 -6.970 13.980 -5.335 171 HD2 PHE 26 HD1 PHE 26 -10.582 13.940 -3.080 172 HE1 PHE 26 HE2 PHE 26 -5.743 13.113 -3.385 173 HE2 PHE 26 HE1 PHE 26 -9.359 13.075 -1.131 174 HZ PHE 26 HZ PHE 26 -6.938 12.658 -1.285 175 H HIS 27 H HIS 27 -12.115 16.184 -5.389 176 HA HIS 27 HA HIS 27 -11.944 18.012 -3.100 177 HB2 HIS 27 HB2 HIS 27 -14.079 17.463 -5.136 178 HB3 HIS 27 HB3 HIS 27 -14.493 18.200 -3.592 179 HD1 HIS 27 HD1 HIS 27 -14.264 20.660 -3.452 180 HD2 HIS 27 HD2 HIS 27 -12.146 19.067 -6.660 181 HE1 HIS 27 HE1 HIS 27 -13.363 22.640 -4.724 182 HE2 HIS 27 HE2 HIS 27 -12.105 21.655 -6.677 183 H LEU 28 H LEU 28 -12.140 17.173 -1.180 184 HA LEU 28 HA LEU 28 -13.744 14.737 -0.806 185 HB2 LEU 28 HB2 LEU 28 -11.313 14.789 -0.082 186 HB3 LEU 28 HB3 LEU 28 -11.749 16.020 1.079 187 HG LEU 28 HG LEU 28 -11.470 13.738 2.034 188 HD11 LEU 28 HD11 LEU 28 -12.807 15.426 3.188 189 HD12 LEU 28 HD12 LEU 28 -14.241 14.873 2.320 190 HD13 LEU 28 HD13 LEU 28 -13.427 13.797 3.454 191 HD21 LEU 28 HD21 LEU 28 -13.280 12.108 1.692 192 HD22 LEU 28 HD22 LEU 28 -13.945 13.143 0.429 193 HD23 LEU 28 HD23 LEU 28 -12.352 12.417 0.225 194 H HIS 29 H HIS 29 -15.745 15.107 -0.059 195 HA HIS 29 HA HIS 29 -16.147 17.527 1.566 196 HB2 HIS 29 HB2 HIS 29 -18.535 17.430 0.954 197 HB3 HIS 29 HB3 HIS 29 -17.494 17.621 -0.447 198 HD1 HIS 29 HD1 HIS 29 -19.773 15.135 1.226 199 HD2 HIS 29 HD2 HIS 29 -17.639 15.580 -2.317 200 HE1 HIS 29 HE1 HIS 29 -20.615 13.329 -0.305 201 HE2 HIS 29 HE2 HIS 29 -19.396 13.685 -2.484 202 H GLY 30 H GLY 30 -17.132 17.406 3.512 203 HA2 GLY 30 HA2 GLY 30 -17.896 14.751 4.484 204 HA3 GLY 30 HA3 GLY 30 -16.595 15.598 5.312 205 H GLU 31 H GLU 31 -19.569 14.807 5.781 206 HA GLU 31 HA GLU 31 -20.724 17.346 6.516 207 HB2 GLU 31 HB2 GLU 31 -22.523 15.817 7.518 208 HB3 GLU 31 HB3 GLU 31 -22.320 15.800 5.774 209 HG2 GLU 31 HG2 GLU 31 -20.982 13.741 5.975 210 HG3 GLU 31 HG3 GLU 31 -21.277 13.750 7.716 211 H LYS 32 H LYS 32 -21.516 17.732 8.720 212 HA LYS 32 HA LYS 32 -19.336 17.823 10.490 213 HB2 LYS 32 HB2 LYS 32 -22.274 18.357 10.929 214 HB3 LYS 32 HB3 LYS 32 -21.036 18.681 12.134 215 HG2 LYS 32 HG2 LYS 32 -19.987 20.296 10.700 216 HG3 LYS 32 HG3 LYS 32 -21.087 19.893 9.381 217 HD2 LYS 32 HD2 LYS 32 -21.761 21.958 10.510 218 HD3 LYS 32 HD3 LYS 32 -22.977 20.694 10.691 219 HE2 LYS 32 HE2 LYS 32 -22.079 20.190 12.935 220 HE3 LYS 32 HE3 LYS 32 -20.933 21.518 12.753 221 HZ1 LYS 32 HZ1 LYS 32 -22.910 22.153 14.021 222 HZ2 LYS 32 HZ2 LYS 32 -22.760 23.063 12.601 223 HZ3 LYS 32 HZ3 LYS 32 -23.893 21.802 12.686 224 H GLY 33 H GLY 33 -18.539 15.870 11.072 225 HA2 GLY 33 HA2 GLY 33 -19.381 14.653 13.376 226 HA3 GLY 33 HA3 GLY 33 -20.141 13.737 12.081 227 H LYS 34 H LYS 34 -19.003 11.874 12.134 228 HA LYS 34 HA LYS 34 -16.084 12.092 11.776 229 HB2 LYS 34 HB2 LYS 34 -17.703 9.785 12.879 230 HB3 LYS 34 HB3 LYS 34 -15.972 9.741 12.582 231 HG2 LYS 34 HG2 LYS 34 -15.707 11.584 14.228 232 HG3 LYS 34 HG3 LYS 34 -17.431 11.440 14.587 233 HD2 LYS 34 HD2 LYS 34 -17.105 9.112 15.244 234 HD3 LYS 34 HD3 LYS 34 -15.387 9.236 14.867 235 HE2 LYS 34 HE2 LYS 34 -15.176 10.993 16.584 236 HE3 LYS 34 HE3 LYS 34 -16.877 10.771 16.990 237 HZ1 LYS 34 HZ1 LYS 34 -14.679 8.805 17.312 238 HZ2 LYS 34 HZ2 LYS 34 -15.622 9.517 18.529 239 HZ3 LYS 34 HZ3 LYS 34 -16.318 8.401 17.460 240 H LEU 35 H LEU 35 -18.784 9.918 11.029 241 HA LEU 35 HA LEU 35 -17.429 9.040 8.618 242 HB2 LEU 35 HB2 LEU 35 -20.104 8.192 9.729 243 HB3 LEU 35 HB3 LEU 35 -19.203 7.392 8.455 244 HG LEU 35 HG LEU 35 -18.314 7.611 11.335 245 HD11 LEU 35 HD11 LEU 35 -18.818 5.237 11.457 246 HD12 LEU 35 HD12 LEU 35 -20.262 6.163 11.043 247 HD13 LEU 35 HD13 LEU 35 -19.403 5.265 9.793 248 HD21 LEU 35 HD21 LEU 35 -16.571 6.048 10.719 249 HD22 LEU 35 HD22 LEU 35 -17.148 6.023 9.050 250 HD23 LEU 35 HD23 LEU 35 -16.456 7.501 9.724 251 H GLY 36 H GLY 36 -17.720 10.032 6.773 252 HA2 GLY 36 HA2 GLY 36 -19.972 10.523 5.382 253 HA3 GLY 36 HA3 GLY 36 -19.889 11.930 6.431 254 H GLN 37 H GLN 37 -16.961 10.429 5.332 255 HA GLN 37 HA GLN 37 -16.437 12.792 3.694 256 HB2 GLN 37 HB2 GLN 37 -14.043 11.972 3.737 257 HB3 GLN 37 HB3 GLN 37 -14.698 12.525 5.266 258 HG2 GLN 37 HG2 GLN 37 -14.556 9.623 4.490 259 HG3 GLN 37 HG3 GLN 37 -13.256 10.464 5.332 260 HE21 GLN 37 HE21 GLN 37 -13.670 11.271 7.442 261 HE22 GLN 37 HE22 GLN 37 -14.912 10.585 8.431 262 H TYR 38 H TYR 38 -16.605 12.692 1.610 263 HA TYR 38 HA TYR 38 -16.118 10.191 0.167 264 HB2 TYR 38 HB2 TYR 38 -18.626 11.875 -0.110 265 HB3 TYR 38 HB3 TYR 38 -18.203 10.509 -1.136 266 HD1 TYR 38 HD2 TYR 38 -18.156 8.215 -0.163 267 HD2 TYR 38 HD1 TYR 38 -19.663 11.552 2.021 268 HE1 TYR 38 HE2 TYR 38 -19.296 6.681 1.380 269 HE2 TYR 38 HE1 TYR 38 -20.813 10.023 3.564 270 HH TYR 38 HH TYR 38 -20.130 6.766 3.782 271 H ILE 39 H ILE 39 -15.484 10.485 -1.984 272 HA ILE 39 HA ILE 39 -14.312 13.052 -2.583 273 HB ILE 39 HB ILE 39 -14.519 10.665 -4.427 274 HG12 ILE 39 HG12 ILE 39 -13.482 10.031 -2.267 275 HG13 ILE 39 HG13 ILE 39 -12.343 9.954 -3.604 276 HG21 ILE 39 HG21 ILE 39 -13.890 12.753 -5.512 277 HG22 ILE 39 HG22 ILE 39 -12.592 12.985 -4.342 278 HG23 ILE 39 HG23 ILE 39 -12.527 11.636 -5.473 279 HD11 ILE 39 HD11 ILE 39 -11.345 10.900 -1.594 280 HD12 ILE 39 HD12 ILE 39 -11.377 12.067 -2.918 281 HD13 ILE 39 HD13 ILE 39 -12.549 12.188 -1.606 282 H ARG 40 H ARG 40 -15.079 14.600 -3.885 283 HA ARG 40 HA ARG 40 -17.769 14.241 -4.995 284 HB2 ARG 40 HB2 ARG 40 -17.517 16.190 -3.613 285 HB3 ARG 40 HB3 ARG 40 -16.069 16.684 -4.482 286 HG2 ARG 40 HG2 ARG 40 -17.579 18.085 -5.436 287 HG3 ARG 40 HG3 ARG 40 -17.732 16.713 -6.532 288 HD2 ARG 40 HD2 ARG 40 -19.937 17.281 -6.042 289 HD3 ARG 40 HD3 ARG 40 -19.601 15.926 -4.959 290 HE ARG 40 HE ARG 40 -18.955 18.046 -3.428 291 HH11 ARG 40 HH11 ARG 40 -21.816 17.250 -5.310 292 HH12 ARG 40 HH12 ARG 40 -22.871 18.271 -4.369 293 HH21 ARG 40 HH21 ARG 40 -20.347 19.347 -2.184 294 HH22 ARG 40 HH22 ARG 40 -22.037 19.444 -2.573 295 H LEU 41 H LEU 41 -14.609 15.548 -5.982 296 HA LEU 41 HA LEU 41 -15.215 14.972 -8.769 297 HB2 LEU 41 HB2 LEU 41 -15.948 17.388 -7.811 298 HB3 LEU 41 HB3 LEU 41 -14.281 17.733 -8.212 299 HG LEU 41 HG LEU 41 -15.845 18.379 -9.999 300 HD11 LEU 41 HD11 LEU 41 -14.687 17.338 -11.873 301 HD12 LEU 41 HD12 LEU 41 -13.560 17.829 -10.608 302 HD13 LEU 41 HD13 LEU 41 -14.007 16.132 -10.783 303 HD21 LEU 41 HD21 LEU 41 -17.522 16.635 -9.611 304 HD22 LEU 41 HD22 LEU 41 -17.014 16.700 -11.299 305 HD23 LEU 41 HD23 LEU 41 -16.399 15.430 -10.241 306 H VAL 42 H VAL 42 -13.406 14.641 -9.957 307 HA VAL 42 HA VAL 42 -10.811 15.068 -8.630 308 HB VAL 42 HB VAL 42 -11.518 12.983 -10.707 309 HG11 VAL 42 HG11 VAL 42 -8.975 13.466 -9.163 310 HG12 VAL 42 HG12 VAL 42 -9.287 12.066 -10.188 311 HG13 VAL 42 HG13 VAL 42 -9.211 13.681 -10.897 312 HG21 VAL 42 HG21 VAL 42 -11.234 11.359 -8.895 313 HG22 VAL 42 HG22 VAL 42 -10.993 12.680 -7.753 314 HG23 VAL 42 HG23 VAL 42 -12.549 12.485 -8.559 315 H GLU 43 H GLU 43 -9.524 16.518 -9.585 316 HA GLU 43 HA GLU 43 -10.328 17.881 -11.930 317 HB2 GLU 43 HB2 GLU 43 -9.015 18.879 -10.051 318 HB3 GLU 43 HB3 GLU 43 -7.635 17.912 -10.555 319 HG2 GLU 43 HG2 GLU 43 -7.604 19.046 -12.701 320 HG3 GLU 43 HG3 GLU 43 -9.017 19.982 -12.224 321 HA PRO 44 HA PRO 44 -8.726 15.116 -15.006 322 HB2 PRO 44 HB2 PRO 44 -8.461 16.970 -17.016 323 HB3 PRO 44 HB3 PRO 44 -9.992 16.206 -16.572 324 HG2 PRO 44 HG2 PRO 44 -8.908 18.878 -15.765 325 HG3 PRO 44 HG3 PRO 44 -10.548 18.449 -16.278 326 HD2 PRO 44 HD2 PRO 44 -9.965 18.785 -13.696 327 HD3 PRO 44 HD3 PRO 44 -11.076 17.500 -14.220 328 H GLY 45 H GLY 45 -7.128 17.975 -13.928 329 HA2 GLY 45 HA2 GLY 45 -4.597 17.017 -15.093 330 HA3 GLY 45 HA3 GLY 45 -4.922 18.687 -14.657 331 H SER 46 H SER 46 -5.691 15.839 -12.707 332 HA SER 46 HA SER 46 -3.814 16.840 -10.675 333 HB2 SER 46 HB2 SER 46 -5.199 15.636 -9.042 334 HB3 SER 46 HB3 SER 46 -6.202 16.733 -9.991 335 HG SER 46 HG SER 46 -7.061 15.040 -11.073 336 HA PRO 47 HA PRO 47 -2.047 12.626 -10.892 337 HB2 PRO 47 HB2 PRO 47 -1.539 12.400 -8.085 338 HB3 PRO 47 HB3 PRO 47 -0.398 12.828 -9.360 339 HG2 PRO 47 HG2 PRO 47 -1.242 14.546 -7.370 340 HG3 PRO 47 HG3 PRO 47 -0.575 15.058 -8.931 341 HD2 PRO 47 HD2 PRO 47 -3.434 14.877 -8.053 342 HD3 PRO 47 HD3 PRO 47 -2.630 16.116 -9.045 343 H ALA 48 H ALA 48 -4.783 13.406 -9.012 344 HA ALA 48 HA ALA 48 -5.204 11.061 -7.538 345 HB1 ALA 48 HB1 ALA 48 -7.260 13.019 -8.543 346 HB2 ALA 48 HB2 ALA 48 -7.476 11.861 -7.231 347 HB3 ALA 48 HB3 ALA 48 -6.321 13.184 -7.059 348 H GLU 49 H GLU 49 -6.504 12.012 -10.723 349 HA GLU 49 HA GLU 49 -8.120 9.694 -10.967 350 HB2 GLU 49 HB2 GLU 49 -7.806 10.428 -13.550 351 HB3 GLU 49 HB3 GLU 49 -8.965 11.147 -12.449 352 HG2 GLU 49 HG2 GLU 49 -7.866 12.889 -13.631 353 HG3 GLU 49 HG3 GLU 49 -7.320 12.936 -11.960 354 H LYS 50 H LYS 50 -4.840 10.417 -11.952 355 HA LYS 50 HA LYS 50 -4.432 7.954 -13.339 356 HB2 LYS 50 HB2 LYS 50 -2.514 9.984 -12.193 357 HB3 LYS 50 HB3 LYS 50 -1.994 8.567 -13.098 358 HG2 LYS 50 HG2 LYS 50 -3.075 9.327 -15.073 359 HG3 LYS 50 HG3 LYS 50 -3.900 10.618 -14.197 360 HD2 LYS 50 HD2 LYS 50 -0.910 10.406 -14.563 361 HD3 LYS 50 HD3 LYS 50 -1.980 11.434 -15.520 362 HE2 LYS 50 HE2 LYS 50 -2.675 12.575 -13.437 363 HE3 LYS 50 HE3 LYS 50 -1.499 11.606 -12.548 364 HZ1 LYS 50 HZ1 LYS 50 0.266 12.589 -13.860 365 HZ2 LYS 50 HZ2 LYS 50 -0.857 13.502 -14.743 366 HZ3 LYS 50 HZ3 LYS 50 -0.637 13.800 -13.090 367 H ALA 51 H ALA 51 -4.104 8.994 -10.009 368 HA ALA 51 HA ALA 51 -2.717 6.721 -9.042 369 HB1 ALA 51 HB1 ALA 51 -2.950 8.830 -7.771 370 HB2 ALA 51 HB2 ALA 51 -4.664 8.477 -7.544 371 HB3 ALA 51 HB3 ALA 51 -3.446 7.417 -6.839 372 H GLY 52 H GLY 52 -5.976 7.267 -10.002 373 HA2 GLY 52 HA2 GLY 52 -7.288 5.323 -10.615 374 HA3 GLY 52 HA3 GLY 52 -6.630 4.502 -9.207 375 H LEU 53 H LEU 53 -7.211 7.584 -8.286 376 HA LEU 53 HA LEU 53 -9.494 6.815 -6.723 377 HB2 LEU 53 HB2 LEU 53 -7.604 8.196 -5.870 378 HB3 LEU 53 HB3 LEU 53 -8.087 9.481 -6.955 379 HG LEU 53 HG LEU 53 -10.107 8.491 -5.001 380 HD11 LEU 53 HD11 LEU 53 -9.208 9.956 -3.266 381 HD12 LEU 53 HD12 LEU 53 -8.057 8.682 -3.671 382 HD13 LEU 53 HD13 LEU 53 -7.813 10.317 -4.286 383 HD21 LEU 53 HD21 LEU 53 -10.695 10.217 -6.627 384 HD22 LEU 53 HD22 LEU 53 -10.714 10.867 -4.986 385 HD23 LEU 53 HD23 LEU 53 -9.359 11.219 -6.061 386 H LEU 54 H LEU 54 -11.589 7.272 -7.119 387 HA LEU 54 HA LEU 54 -12.152 8.760 -9.596 388 HB2 LEU 54 HB2 LEU 54 -13.740 6.576 -8.248 389 HB3 LEU 54 HB3 LEU 54 -14.234 7.431 -9.697 390 HG LEU 54 HG LEU 54 -11.787 5.680 -9.463 391 HD11 LEU 54 HD11 LEU 54 -13.034 4.154 -10.931 392 HD12 LEU 54 HD12 LEU 54 -13.819 4.364 -9.365 393 HD13 LEU 54 HD13 LEU 54 -14.451 5.194 -10.787 394 HD21 LEU 54 HD21 LEU 54 -11.471 7.467 -11.069 395 HD22 LEU 54 HD22 LEU 54 -11.688 5.928 -11.906 396 HD23 LEU 54 HD23 LEU 54 -13.017 7.085 -11.827 397 H ALA 55 H ALA 55 -14.229 9.869 -9.691 398 HA ALA 55 HA ALA 55 -14.604 11.511 -7.356 399 HB1 ALA 55 HB1 ALA 55 -16.190 12.748 -8.753 400 HB2 ALA 55 HB2 ALA 55 -14.661 12.490 -9.592 401 HB3 ALA 55 HB3 ALA 55 -16.065 11.503 -9.997 402 H GLY 56 H GLY 56 -15.383 10.040 -5.832 403 HA2 GLY 56 HA2 GLY 56 -17.931 9.976 -5.117 404 HA3 GLY 56 HA3 GLY 56 -17.930 8.712 -6.339 405 H ASP 57 H ASP 57 -14.950 8.442 -5.201 406 HA ASP 57 HA ASP 57 -15.435 6.038 -3.845 407 HB2 ASP 57 HB2 ASP 57 -13.039 7.744 -4.310 408 HB3 ASP 57 HB3 ASP 57 -12.940 6.504 -3.067 409 H ARG 58 H ARG 58 -15.060 5.418 -1.747 410 HA ARG 58 HA ARG 58 -15.329 7.493 0.315 411 HB2 ARG 58 HB2 ARG 58 -17.037 5.861 0.535 412 HB3 ARG 58 HB3 ARG 58 -15.922 4.535 0.236 413 HG2 ARG 58 HG2 ARG 58 -14.853 4.969 2.405 414 HG3 ARG 58 HG3 ARG 58 -16.021 6.259 2.704 415 HD2 ARG 58 HD2 ARG 58 -17.838 4.714 2.706 416 HD3 ARG 58 HD3 ARG 58 -16.803 3.408 2.133 417 HE ARG 58 HE ARG 58 -15.603 3.936 4.417 418 HH11 ARG 58 HH11 ARG 58 -19.044 3.779 3.767 419 HH12 ARG 58 HH12 ARG 58 -19.442 3.196 5.349 420 HH21 ARG 58 HH21 ARG 58 -16.107 3.159 6.465 421 HH22 ARG 58 HH22 ARG 58 -17.765 2.822 6.891 422 H LEU 59 H LEU 59 -13.613 7.955 1.587 423 HA LEU 59 HA LEU 59 -11.131 6.535 1.137 424 HB2 LEU 59 HB2 LEU 59 -11.180 8.983 1.302 425 HB3 LEU 59 HB3 LEU 59 -11.773 8.864 2.946 426 HG LEU 59 HG LEU 59 -9.660 7.799 3.630 427 HD11 LEU 59 HD11 LEU 59 -7.760 7.792 2.080 428 HD12 LEU 59 HD12 LEU 59 -9.062 6.735 1.535 429 HD13 LEU 59 HD13 LEU 59 -8.831 8.312 0.780 430 HD21 LEU 59 HD21 LEU 59 -8.243 9.784 3.413 431 HD22 LEU 59 HD22 LEU 59 -9.325 10.417 2.172 432 HD23 LEU 59 HD23 LEU 59 -9.904 10.211 3.824 433 H VAL 60 H VAL 60 -10.233 5.024 2.418 434 HA VAL 60 HA VAL 60 -11.708 4.326 4.866 435 HB VAL 60 HB VAL 60 -9.872 2.612 3.187 436 HG11 VAL 60 HG11 VAL 60 -9.798 1.940 5.514 437 HG12 VAL 60 HG12 VAL 60 -11.561 1.900 5.583 438 HG13 VAL 60 HG13 VAL 60 -10.691 0.749 4.566 439 HG21 VAL 60 HG21 VAL 60 -12.876 2.580 3.468 440 HG22 VAL 60 HG22 VAL 60 -11.966 3.109 2.052 441 HG23 VAL 60 HG23 VAL 60 -11.915 1.418 2.553 442 H GLU 61 H GLU 61 -8.321 4.334 3.666 443 HA GLU 61 HA GLU 61 -7.503 5.009 6.399 444 HB2 GLU 61 HB2 GLU 61 -5.722 3.390 6.403 445 HB3 GLU 61 HB3 GLU 61 -7.231 2.561 6.065 446 HG2 GLU 61 HG2 GLU 61 -6.204 1.610 4.355 447 HG3 GLU 61 HG3 GLU 61 -6.235 3.181 3.558 448 H VAL 62 H VAL 62 -5.551 6.089 6.607 449 HA VAL 62 HA VAL 62 -4.267 7.010 4.128 450 HB VAL 62 HB VAL 62 -4.932 8.707 6.552 451 HG11 VAL 62 HG11 VAL 62 -3.783 10.541 5.392 452 HG12 VAL 62 HG12 VAL 62 -2.676 9.222 5.774 453 HG13 VAL 62 HG13 VAL 62 -3.277 9.420 4.128 454 HG21 VAL 62 HG21 VAL 62 -6.765 8.416 4.946 455 HG22 VAL 62 HG22 VAL 62 -6.177 10.077 4.977 456 HG23 VAL 62 HG23 VAL 62 -5.718 9.003 3.655 457 H ASN 63 H ASN 63 -2.337 6.112 4.144 458 HA ASN 63 HA ASN 63 -0.216 5.589 4.724 459 HB2 ASN 63 HB2 ASN 63 -0.793 7.507 6.977 460 HB3 ASN 63 HB3 ASN 63 0.746 6.662 6.845 461 HD21 ASN 63 HD21 ASN 63 2.151 7.179 5.184 462 HD22 ASN 63 HD22 ASN 63 1.980 8.635 4.265 463 H GLY 64 H GLY 64 -2.605 4.059 5.714 464 HA2 GLY 64 HA2 GLY 64 -2.257 1.795 6.406 465 HA3 GLY 64 HA3 GLY 64 -0.945 2.338 7.435 466 H GLU 65 H GLU 65 -3.266 4.537 8.040 467 HA GLU 65 HA GLU 65 -4.405 2.858 10.170 468 HB2 GLU 65 HB2 GLU 65 -4.473 4.881 11.587 469 HB3 GLU 65 HB3 GLU 65 -2.838 4.434 11.120 470 HG2 GLU 65 HG2 GLU 65 -3.031 6.154 9.285 471 HG3 GLU 65 HG3 GLU 65 -4.510 6.696 10.075 472 H ASN 66 H ASN 66 -6.528 2.940 10.556 473 HA ASN 66 HA ASN 66 -8.282 3.703 8.487 474 HB2 ASN 66 HB2 ASN 66 -8.666 1.872 10.156 475 HB3 ASN 66 HB3 ASN 66 -8.963 3.102 11.375 476 HD21 ASN 66 HD21 ASN 66 -10.012 3.193 8.008 477 HD22 ASN 66 HD22 ASN 66 -11.712 3.082 8.347 478 H VAL 67 H VAL 67 -9.080 5.662 8.016 479 HA VAL 67 HA VAL 67 -8.984 7.713 10.133 480 HB VAL 67 HB VAL 67 -8.718 9.390 8.359 481 HG11 VAL 67 HG11 VAL 67 -6.669 7.180 8.240 482 HG12 VAL 67 HG12 VAL 67 -6.408 8.860 7.772 483 HG13 VAL 67 HG13 VAL 67 -6.746 8.457 9.455 484 HG21 VAL 67 HG21 VAL 67 -8.220 8.705 6.070 485 HG22 VAL 67 HG22 VAL 67 -8.506 7.019 6.502 486 HG23 VAL 67 HG23 VAL 67 -9.834 8.180 6.547 487 H GLU 68 H GLU 68 -11.146 5.840 8.602 488 HA GLU 68 HA GLU 68 -13.099 7.558 7.584 489 HB2 GLU 68 HB2 GLU 68 -13.502 4.926 9.015 490 HB3 GLU 68 HB3 GLU 68 -14.678 5.722 7.979 491 HG2 GLU 68 HG2 GLU 68 -13.288 5.409 6.060 492 HG3 GLU 68 HG3 GLU 68 -11.975 4.784 7.058 493 H LYS 69 H LYS 69 -12.382 6.588 10.866 494 HA LYS 69 HA LYS 69 -14.838 7.809 11.844 495 HB2 LYS 69 HB2 LYS 69 -12.813 6.012 13.122 496 HB3 LYS 69 HB3 LYS 69 -14.090 6.813 14.036 497 HG2 LYS 69 HG2 LYS 69 -15.743 5.796 12.492 498 HG3 LYS 69 HG3 LYS 69 -14.424 4.883 11.762 499 HD2 LYS 69 HD2 LYS 69 -14.938 4.783 14.700 500 HD3 LYS 69 HD3 LYS 69 -15.841 3.779 13.571 501 HE2 LYS 69 HE2 LYS 69 -13.691 2.890 12.713 502 HE3 LYS 69 HE3 LYS 69 -12.850 3.832 13.944 503 HZ1 LYS 69 HZ1 LYS 69 -13.850 2.554 15.656 504 HZ2 LYS 69 HZ2 LYS 69 -14.907 1.784 14.575 505 HZ3 LYS 69 HZ3 LYS 69 -13.243 1.452 14.519 506 H GLU 70 H GLU 70 -12.123 9.102 10.943 507 HA GLU 70 HA GLU 70 -11.588 10.769 13.267 508 HB2 GLU 70 HB2 GLU 70 -10.551 10.915 10.428 509 HB3 GLU 70 HB3 GLU 70 -9.975 11.886 11.776 510 HG2 GLU 70 HG2 GLU 70 -9.835 8.891 11.648 511 HG3 GLU 70 HG3 GLU 70 -8.520 9.976 11.210 512 H THR 71 H THR 71 -11.597 13.225 12.822 513 HA THR 71 HA THR 71 -14.211 13.958 11.879 514 HB THR 71 HB THR 71 -13.696 16.204 12.530 515 HG1 THR 71 HG1 THR 71 -11.379 16.547 13.291 516 HG21 THR 71 HG21 THR 71 -14.038 14.673 14.402 517 HG22 THR 71 HG22 THR 71 -12.310 14.320 14.436 518 HG23 THR 71 HG23 THR 71 -12.888 15.941 14.826 519 H HIS 72 H HIS 72 -14.611 15.487 10.122 520 HA HIS 72 HA HIS 72 -13.379 14.838 7.732 521 HB2 HIS 72 HB2 HIS 72 -15.508 15.870 7.615 522 HB3 HIS 72 HB3 HIS 72 -14.974 17.265 8.544 523 HD1 HIS 72 HD1 HIS 72 -14.412 15.693 5.134 524 HD2 HIS 72 HD2 HIS 72 -14.184 19.383 7.024 525 HE1 HIS 72 HE1 HIS 72 -13.873 17.344 3.318 526 HE2 HIS 72 HE2 HIS 72 -13.532 19.532 4.520 527 H GLN 73 H GLN 73 -12.718 17.568 9.891 528 HA GLN 73 HA GLN 73 -10.791 18.814 8.268 529 HB2 GLN 73 HB2 GLN 73 -11.927 19.856 10.231 530 HB3 GLN 73 HB3 GLN 73 -10.941 18.853 11.285 531 HG2 GLN 73 HG2 GLN 73 -10.033 21.091 11.126 532 HG3 GLN 73 HG3 GLN 73 -8.924 19.916 10.422 533 HE21 GLN 73 HE21 GLN 73 -8.555 19.936 8.217 534 HE22 GLN 73 HE22 GLN 73 -9.045 21.246 7.203 535 H GLN 74 H GLN 74 -10.468 16.340 10.801 536 HA GLN 74 HA GLN 74 -7.639 16.317 10.771 537 HB2 GLN 74 HB2 GLN 74 -9.677 14.330 11.732 538 HB3 GLN 74 HB3 GLN 74 -7.955 13.977 11.788 539 HG2 GLN 74 HG2 GLN 74 -9.388 16.228 13.175 540 HG3 GLN 74 HG3 GLN 74 -8.670 14.802 13.921 541 HE21 GLN 74 HE21 GLN 74 -8.142 17.621 14.398 542 HE22 GLN 74 HE22 GLN 74 -6.452 17.853 14.106 543 H VAL 75 H VAL 75 -10.059 14.369 9.067 544 HA VAL 75 HA VAL 75 -8.323 12.532 7.881 545 HB VAL 75 HB VAL 75 -10.910 13.631 6.756 546 HG11 VAL 75 HG11 VAL 75 -10.985 11.548 5.450 547 HG12 VAL 75 HG12 VAL 75 -9.603 12.555 5.017 548 HG13 VAL 75 HG13 VAL 75 -9.375 11.135 6.040 549 HG21 VAL 75 HG21 VAL 75 -11.901 11.588 7.692 550 HG22 VAL 75 HG22 VAL 75 -10.347 11.180 8.419 551 HG23 VAL 75 HG23 VAL 75 -11.214 12.625 8.941 552 H VAL 76 H VAL 76 -9.470 15.671 6.660 553 HA VAL 76 HA VAL 76 -8.094 15.568 4.203 554 HB VAL 76 HB VAL 76 -8.956 17.989 5.809 555 HG11 VAL 76 HG11 VAL 76 -7.271 18.625 4.187 556 HG12 VAL 76 HG12 VAL 76 -8.139 17.768 2.913 557 HG13 VAL 76 HG13 VAL 76 -8.856 19.195 3.661 558 HG21 VAL 76 HG21 VAL 76 -10.818 16.532 5.240 559 HG22 VAL 76 HG22 VAL 76 -10.884 18.015 4.287 560 HG23 VAL 76 HG23 VAL 76 -10.312 16.518 3.549 561 H SER 77 H SER 77 -7.207 16.955 7.343 562 HA SER 77 HA SER 77 -4.830 18.191 6.484 563 HB2 SER 77 HB2 SER 77 -5.525 17.218 9.267 564 HB3 SER 77 HB3 SER 77 -4.299 18.417 8.857 565 HG SER 77 HG SER 77 -7.086 18.627 8.863 566 H ARG 78 H ARG 78 -5.470 14.929 7.687 567 HA ARG 78 HA ARG 78 -2.835 14.089 8.093 568 HB2 ARG 78 HB2 ARG 78 -5.240 12.532 7.137 569 HB3 ARG 78 HB3 ARG 78 -3.716 11.792 7.602 570 HG2 ARG 78 HG2 ARG 78 -3.975 12.701 9.860 571 HG3 ARG 78 HG3 ARG 78 -5.519 13.410 9.384 572 HD2 ARG 78 HD2 ARG 78 -6.439 11.239 8.931 573 HD3 ARG 78 HD3 ARG 78 -4.881 10.473 9.230 574 HE ARG 78 HE ARG 78 -6.644 11.658 11.261 575 HH11 ARG 78 HH11 ARG 78 -3.821 9.797 10.405 576 HH12 ARG 78 HH12 ARG 78 -3.685 9.039 11.964 577 HH21 ARG 78 HH21 ARG 78 -6.486 10.653 13.331 578 HH22 ARG 78 HH22 ARG 78 -5.175 9.546 13.634 579 H ILE 79 H ILE 79 -4.810 14.128 5.163 580 HA ILE 79 HA ILE 79 -2.848 12.919 3.496 581 HB ILE 79 HB ILE 79 -5.050 14.770 2.580 582 HG12 ILE 79 HG12 ILE 79 -5.240 11.794 3.107 583 HG13 ILE 79 HG13 ILE 79 -5.920 13.038 4.152 584 HG21 ILE 79 HG21 ILE 79 -4.992 13.410 0.557 585 HG22 ILE 79 HG22 ILE 79 -3.405 14.104 0.889 586 HG23 ILE 79 HG23 ILE 79 -3.719 12.408 1.255 587 HD11 ILE 79 HD11 ILE 79 -6.708 12.504 1.296 588 HD12 ILE 79 HD12 ILE 79 -7.623 12.052 2.736 589 HD13 ILE 79 HD13 ILE 79 -7.390 13.754 2.338 590 H ARG 80 H ARG 80 -3.635 16.209 4.410 591 HA ARG 80 HA ARG 80 -1.949 17.568 2.585 592 HB2 ARG 80 HB2 ARG 80 -2.762 18.466 5.358 593 HB3 ARG 80 HB3 ARG 80 -2.227 19.492 4.037 594 HG2 ARG 80 HG2 ARG 80 -4.692 17.800 3.829 595 HG3 ARG 80 HG3 ARG 80 -4.716 19.413 4.542 596 HD2 ARG 80 HD2 ARG 80 -3.580 18.907 1.812 597 HD3 ARG 80 HD3 ARG 80 -5.301 19.181 2.068 598 HE ARG 80 HE ARG 80 -3.863 21.226 3.336 599 HH11 ARG 80 HH11 ARG 80 -4.575 20.122 0.071 600 HH12 ARG 80 HH12 ARG 80 -4.532 21.716 -0.598 601 HH21 ARG 80 HH21 ARG 80 -3.825 23.321 2.441 602 HH22 ARG 80 HH22 ARG 80 -4.101 23.530 0.738 603 H ALA 81 H ALA 81 -1.367 15.837 5.500 604 HA ALA 81 HA ALA 81 0.988 17.131 6.385 605 HB1 ALA 81 HB1 ALA 81 -0.398 15.752 7.842 606 HB2 ALA 81 HB2 ALA 81 0.031 14.320 6.906 607 HB3 ALA 81 HB3 ALA 81 1.270 15.181 7.821 608 H ALA 82 H ALA 82 0.394 14.586 4.075 609 HA ALA 82 HA ALA 82 2.987 13.492 3.948 610 HB1 ALA 82 HB1 ALA 82 0.889 13.621 1.788 611 HB2 ALA 82 HB2 ALA 82 2.286 12.545 1.819 612 HB3 ALA 82 HB3 ALA 82 1.014 12.375 3.030 613 H LEU 83 H LEU 83 4.758 14.019 2.850 614 HA LEU 83 HA LEU 83 5.038 16.728 1.988 615 HB2 LEU 83 HB2 LEU 83 6.978 14.417 1.902 616 HB3 LEU 83 HB3 LEU 83 7.391 16.082 1.537 617 HG LEU 83 HG LEU 83 6.438 15.052 4.213 618 HD11 LEU 83 HD11 LEU 83 8.694 14.322 3.706 619 HD12 LEU 83 HD12 LEU 83 9.155 15.971 3.288 620 HD13 LEU 83 HD13 LEU 83 8.719 15.572 4.949 621 HD21 LEU 83 HD21 LEU 83 6.961 17.293 5.033 622 HD22 LEU 83 HD22 LEU 83 7.362 17.807 3.396 623 HD23 LEU 83 HD23 LEU 83 5.706 17.350 3.794 624 H ASN 84 H ASN 84 5.318 13.571 0.361 625 HA ASN 84 HA ASN 84 4.741 14.967 -2.165 626 HB2 ASN 84 HB2 ASN 84 7.189 14.444 -1.989 627 HB3 ASN 84 HB3 ASN 84 6.770 12.738 -1.910 628 HD21 ASN 84 HD21 ASN 84 8.368 14.163 -3.878 629 HD22 ASN 84 HD22 ASN 84 7.604 13.891 -5.410 630 H ALA 85 H ALA 85 5.091 11.690 -0.763 631 HA ALA 85 HA ALA 85 2.814 10.905 -2.455 632 HB1 ALA 85 HB1 ALA 85 4.937 9.813 -3.052 633 HB2 ALA 85 HB2 ALA 85 5.034 9.142 -1.424 634 HB3 ALA 85 HB3 ALA 85 3.722 8.661 -2.500 635 H VAL 86 H VAL 86 1.074 10.039 -1.549 636 HA VAL 86 HA VAL 86 1.206 9.058 1.209 637 HB VAL 86 HB VAL 86 0.412 11.308 1.482 638 HG11 VAL 86 HG11 VAL 86 -0.248 11.768 -0.809 639 HG12 VAL 86 HG12 VAL 86 -1.643 10.705 -0.639 640 HG13 VAL 86 HG13 VAL 86 -1.544 12.188 0.310 641 HG21 VAL 86 HG21 VAL 86 -0.724 9.636 2.839 642 HG22 VAL 86 HG22 VAL 86 -1.816 10.958 2.428 643 HG23 VAL 86 HG23 VAL 86 -1.935 9.417 1.578 644 H ARG 87 H ARG 87 -0.204 7.357 1.644 645 HA ARG 87 HA ARG 87 -1.336 6.094 -0.717 646 HB2 ARG 87 HB2 ARG 87 -1.026 5.078 2.108 647 HB3 ARG 87 HB3 ARG 87 -1.661 4.143 0.763 648 HG2 ARG 87 HG2 ARG 87 0.569 4.594 -0.383 649 HG3 ARG 87 HG3 ARG 87 1.136 5.122 1.203 650 HD2 ARG 87 HD2 ARG 87 -0.025 2.420 0.543 651 HD3 ARG 87 HD3 ARG 87 1.681 2.778 0.797 652 HE ARG 87 HE ARG 87 1.238 3.123 3.107 653 HH11 ARG 87 HH11 ARG 87 -1.561 1.963 1.331 654 HH12 ARG 87 HH12 ARG 87 -2.366 1.370 2.748 655 HH21 ARG 87 HH21 ARG 87 0.184 2.289 4.946 656 HH22 ARG 87 HH22 ARG 87 -1.386 1.561 4.784 657 H LEU 88 H LEU 88 -3.344 6.539 -1.245 658 HA LEU 88 HA LEU 88 -5.317 6.947 0.898 659 HB2 LEU 88 HB2 LEU 88 -5.325 7.777 -2.007 660 HB3 LEU 88 HB3 LEU 88 -6.751 7.859 -0.994 661 HG LEU 88 HG LEU 88 -5.796 10.047 -1.140 662 HD11 LEU 88 HD11 LEU 88 -6.720 9.451 1.024 663 HD12 LEU 88 HD12 LEU 88 -5.152 8.825 1.538 664 HD13 LEU 88 HD13 LEU 88 -5.351 10.546 1.210 665 HD21 LEU 88 HD21 LEU 88 -3.529 10.554 -0.421 666 HD22 LEU 88 HD22 LEU 88 -3.225 8.836 -0.159 667 HD23 LEU 88 HD23 LEU 88 -3.540 9.438 -1.785 668 H LEU 89 H LEU 89 -6.259 5.048 1.385 669 HA LEU 89 HA LEU 89 -6.832 3.156 -0.756 670 HB2 LEU 89 HB2 LEU 89 -6.004 2.482 1.565 671 HB3 LEU 89 HB3 LEU 89 -7.610 2.877 2.141 672 HG LEU 89 HG LEU 89 -7.200 0.450 1.716 673 HD11 LEU 89 HD11 LEU 89 -9.464 1.297 1.817 674 HD12 LEU 89 HD12 LEU 89 -9.402 1.692 0.098 675 HD13 LEU 89 HD13 LEU 89 -9.327 0.009 0.621 676 HD21 LEU 89 HD21 LEU 89 -5.814 0.623 -0.256 677 HD22 LEU 89 HD22 LEU 89 -7.242 -0.355 -0.593 678 HD23 LEU 89 HD23 LEU 89 -7.161 1.312 -1.161 679 H VAL 90 H VAL 90 -8.721 3.033 -1.738 680 HA VAL 90 HA VAL 90 -11.044 4.355 -0.554 681 HB VAL 90 HB VAL 90 -11.541 5.406 -2.813 682 HG11 VAL 90 HG11 VAL 90 -10.120 7.366 -2.395 683 HG12 VAL 90 HG12 VAL 90 -10.849 6.748 -0.914 684 HG13 VAL 90 HG13 VAL 90 -9.155 6.412 -1.268 685 HG21 VAL 90 HG21 VAL 90 -9.964 4.170 -4.173 686 HG22 VAL 90 HG22 VAL 90 -9.595 5.893 -4.244 687 HG23 VAL 90 HG23 VAL 90 -8.613 4.821 -3.245 688 H VAL 91 H VAL 91 -13.026 3.718 -1.400 689 HA VAL 91 HA VAL 91 -13.118 1.606 -3.392 690 HB VAL 91 HB VAL 91 -12.776 0.389 -1.272 691 HG11 VAL 91 HG11 VAL 91 -14.504 0.406 0.469 692 HG12 VAL 91 HG12 VAL 91 -13.731 1.982 0.289 693 HG13 VAL 91 HG13 VAL 91 -15.339 1.705 -0.383 694 HG21 VAL 91 HG21 VAL 91 -14.074 -0.682 -3.010 695 HG22 VAL 91 HG22 VAL 91 -14.725 -1.108 -1.427 696 HG23 VAL 91 HG23 VAL 91 -15.546 0.092 -2.423 697 H ASP 92 H ASP 92 -15.198 1.389 -4.344 698 HA ASP 92 HA ASP 92 -16.950 3.572 -4.336 699 HB2 ASP 92 HB2 ASP 92 -18.014 0.809 -4.825 700 HB3 ASP 92 HB3 ASP 92 -18.372 2.300 -5.682 701 HA PRO 93 HA PRO 93 -18.906 3.076 -0.322 702 HB2 PRO 93 HB2 PRO 93 -21.054 4.589 -1.729 703 HB3 PRO 93 HB3 PRO 93 -20.291 4.906 -0.164 704 HG2 PRO 93 HG2 PRO 93 -19.657 6.380 -2.279 705 HG3 PRO 93 HG3 PRO 93 -18.405 5.865 -1.134 706 HD2 PRO 93 HD2 PRO 93 -19.048 4.787 -3.850 707 HD3 PRO 93 HD3 PRO 93 -17.467 5.040 -3.081 708 H GLU 94 H GLU 94 -20.360 2.342 -3.422 709 HA GLU 94 HA GLU 94 -22.541 0.797 -2.412 710 HB2 GLU 94 HB2 GLU 94 -21.167 0.702 -5.109 711 HB3 GLU 94 HB3 GLU 94 -22.691 -0.079 -4.722 712 HG2 GLU 94 HG2 GLU 94 -23.212 1.889 -5.913 713 HG3 GLU 94 HG3 GLU 94 -23.622 2.197 -4.228 714 H THR 95 H THR 95 -19.315 0.047 -3.643 715 HA THR 95 HA THR 95 -19.515 -2.768 -3.309 716 HB THR 95 HB THR 95 -16.951 -1.186 -3.417 717 HG1 THR 95 HG1 THR 95 -17.257 -0.870 -5.529 718 HG21 THR 95 HG21 THR 95 -17.712 -3.949 -4.371 719 HG22 THR 95 HG22 THR 95 -16.138 -3.188 -4.608 720 HG23 THR 95 HG23 THR 95 -16.700 -3.567 -2.980 721 H ASP 96 H ASP 96 -18.586 -0.121 -1.267 722 HA ASP 96 HA ASP 96 -17.086 -1.405 0.708 723 HB2 ASP 96 HB2 ASP 96 -17.200 0.981 0.704 724 HB3 ASP 96 HB3 ASP 96 -18.955 0.963 0.826 725 H GLU 97 H GLU 97 -20.542 -1.314 0.172 726 HA GLU 97 HA GLU 97 -21.439 -2.311 2.633 727 HB2 GLU 97 HB2 GLU 97 -22.951 -1.427 0.910 728 HB3 GLU 97 HB3 GLU 97 -22.562 -2.786 -0.137 729 HG2 GLU 97 HG2 GLU 97 -23.485 -4.295 1.636 730 HG3 GLU 97 HG3 GLU 97 -24.052 -2.848 2.471 731 H GLN 98 H GLN 98 -20.339 -3.948 -0.290 732 HA GLN 98 HA GLN 98 -20.631 -6.592 0.735 733 HB2 GLN 98 HB2 GLN 98 -20.533 -5.966 -1.695 734 HB3 GLN 98 HB3 GLN 98 -18.819 -5.639 -1.488 735 HG2 GLN 98 HG2 GLN 98 -18.472 -7.976 -0.825 736 HG3 GLN 98 HG3 GLN 98 -20.186 -8.292 -1.108 737 HE21 GLN 98 HE21 GLN 98 -18.207 -6.163 -3.052 738 HE22 GLN 98 HE22 GLN 98 -18.238 -7.129 -4.484 739 H LEU 99 H LEU 99 -18.013 -4.243 0.600 740 HA LEU 99 HA LEU 99 -15.942 -6.044 1.268 741 HB2 LEU 99 HB2 LEU 99 -16.041 -3.052 1.525 742 HB3 LEU 99 HB3 LEU 99 -14.597 -4.027 1.718 743 HG LEU 99 HG LEU 99 -16.018 -3.221 -0.748 744 HD11 LEU 99 HD11 LEU 99 -13.162 -3.864 -0.074 745 HD12 LEU 99 HD12 LEU 99 -13.733 -3.168 -1.591 746 HD13 LEU 99 HD13 LEU 99 -13.890 -2.258 -0.087 747 HD21 LEU 99 HD21 LEU 99 -15.140 -5.129 -2.027 748 HD22 LEU 99 HD22 LEU 99 -14.642 -5.902 -0.521 749 HD23 LEU 99 HD23 LEU 99 -16.354 -5.636 -0.848 750 H GLN 100 H GLN 100 -18.015 -3.974 3.248 751 HA GLN 100 HA GLN 100 -16.678 -4.371 5.691 752 HB2 GLN 100 HB2 GLN 100 -18.708 -3.676 6.791 753 HB3 GLN 100 HB3 GLN 100 -18.483 -2.690 5.354 754 HG2 GLN 100 HG2 GLN 100 -20.149 -3.950 4.168 755 HG3 GLN 100 HG3 GLN 100 -20.301 -5.080 5.511 756 HE21 GLN 100 HE21 GLN 100 -22.473 -4.689 5.765 757 HE22 GLN 100 HE22 GLN 100 -23.099 -3.212 6.409 758 H LYS 101 H LYS 101 -18.932 -6.336 3.899 759 HA LYS 101 HA LYS 101 -19.510 -8.222 5.941 760 HB2 LYS 101 HB2 LYS 101 -19.658 -8.405 2.928 761 HB3 LYS 101 HB3 LYS 101 -20.268 -9.641 4.018 762 HG2 LYS 101 HG2 LYS 101 -21.210 -6.805 4.200 763 HG3 LYS 101 HG3 LYS 101 -21.926 -7.948 3.063 764 HD2 LYS 101 HD2 LYS 101 -21.635 -8.778 5.904 765 HD3 LYS 101 HD3 LYS 101 -22.899 -7.618 5.504 766 HE2 LYS 101 HE2 LYS 101 -23.687 -9.962 5.479 767 HE3 LYS 101 HE3 LYS 101 -23.883 -9.148 3.929 768 HZ1 LYS 101 HZ1 LYS 101 -23.027 -11.443 3.763 769 HZ2 LYS 101 HZ2 LYS 101 -21.994 -10.295 3.062 770 HZ3 LYS 101 HZ3 LYS 101 -21.621 -10.962 4.580 771 H LEU 102 H LEU 102 -16.943 -7.823 3.636 772 HA LEU 102 HA LEU 102 -15.833 -10.449 4.038 773 HB2 LEU 102 HB2 LEU 102 -14.497 -8.028 2.824 774 HB3 LEU 102 HB3 LEU 102 -14.028 -9.707 2.626 775 HG LEU 102 HG LEU 102 -16.567 -8.453 1.576 776 HD11 LEU 102 HD11 LEU 102 -15.573 -8.756 -0.622 777 HD12 LEU 102 HD12 LEU 102 -14.565 -7.715 0.383 778 HD13 LEU 102 HD13 LEU 102 -14.103 -9.396 0.117 779 HD21 LEU 102 HD21 LEU 102 -16.896 -10.789 2.164 780 HD22 LEU 102 HD22 LEU 102 -16.889 -10.577 0.412 781 HD23 LEU 102 HD23 LEU 102 -15.471 -11.241 1.226 782 H GLY 103 H GLY 103 -14.616 -7.167 4.741 783 HA2 GLY 103 HA2 GLY 103 -13.836 -6.310 6.739 784 HA3 GLY 103 HA3 GLY 103 -14.105 -7.874 7.483 785 H VAL 104 H VAL 104 -12.470 -9.434 5.814 786 HA VAL 104 HA VAL 104 -9.913 -8.665 7.015 787 HB VAL 104 HB VAL 104 -10.890 -10.853 7.615 788 HG11 VAL 104 HG11 VAL 104 -10.420 -11.584 4.730 789 HG12 VAL 104 HG12 VAL 104 -10.949 -12.678 6.009 790 HG13 VAL 104 HG13 VAL 104 -11.993 -11.353 5.494 791 HG21 VAL 104 HG21 VAL 104 -8.876 -12.212 7.253 792 HG22 VAL 104 HG22 VAL 104 -8.301 -11.027 6.080 793 HG23 VAL 104 HG23 VAL 104 -8.491 -10.572 7.773 794 H GLN 105 H GLN 105 -8.018 -8.525 5.903 795 HA GLN 105 HA GLN 105 -6.483 -8.537 4.238 796 HB2 GLN 105 HB2 GLN 105 -8.584 -10.137 2.798 797 HB3 GLN 105 HB3 GLN 105 -7.062 -9.691 2.041 798 HG2 GLN 105 HG2 GLN 105 -7.337 -11.295 4.573 799 HG3 GLN 105 HG3 GLN 105 -7.034 -11.960 2.970 800 HE21 GLN 105 HE21 GLN 105 -5.426 -12.111 5.408 801 HE22 GLN 105 HE22 GLN 105 -3.876 -11.457 4.986 802 H VAL 106 H VAL 106 -9.723 -7.788 2.978 803 HA VAL 106 HA VAL 106 -8.820 -6.234 0.807 804 HB VAL 106 HB VAL 106 -11.146 -5.365 0.688 805 HG11 VAL 106 HG11 VAL 106 -10.855 -8.345 1.042 806 HG12 VAL 106 HG12 VAL 106 -12.185 -7.542 0.208 807 HG13 VAL 106 HG13 VAL 106 -10.546 -7.429 -0.433 808 HG21 VAL 106 HG21 VAL 106 -12.833 -6.275 2.212 809 HG22 VAL 106 HG22 VAL 106 -11.563 -7.060 3.151 810 HG23 VAL 106 HG23 VAL 106 -11.644 -5.299 3.078 811 H ARG 107 H ARG 107 -8.644 -5.487 4.053 812 HA ARG 107 HA ARG 107 -9.231 -2.724 4.021 813 HB2 ARG 107 HB2 ARG 107 -7.241 -4.187 5.769 814 HB3 ARG 107 HB3 ARG 107 -7.896 -2.584 6.071 815 HG2 ARG 107 HG2 ARG 107 -10.155 -3.597 6.239 816 HG3 ARG 107 HG3 ARG 107 -9.405 -5.188 6.083 817 HD2 ARG 107 HD2 ARG 107 -8.009 -4.635 8.083 818 HD3 ARG 107 HD3 ARG 107 -8.967 -3.169 8.279 819 HE ARG 107 HE ARG 107 -10.531 -5.589 8.157 820 HH11 ARG 107 HH11 ARG 107 -8.834 -3.327 10.241 821 HH12 ARG 107 HH12 ARG 107 -9.621 -3.880 11.694 822 HH21 ARG 107 HH21 ARG 107 -11.568 -6.310 10.077 823 HH22 ARG 107 HH22 ARG 107 -11.143 -5.588 11.600 824 H GLU 108 H GLU 108 -6.314 -4.577 3.330 825 HA GLU 108 HA GLU 108 -5.203 -2.859 1.481 826 HB2 GLU 108 HB2 GLU 108 -5.054 -1.293 3.461 827 HB3 GLU 108 HB3 GLU 108 -3.916 -2.416 4.185 828 HG2 GLU 108 HG2 GLU 108 -3.275 -1.503 1.457 829 HG3 GLU 108 HG3 GLU 108 -3.197 -0.286 2.729 830 H GLU 109 H GLU 109 -4.690 -5.124 4.075 831 HA GLU 109 HA GLU 109 -2.116 -6.021 3.619 832 HB2 GLU 109 HB2 GLU 109 -3.596 -6.617 5.536 833 HB3 GLU 109 HB3 GLU 109 -4.481 -7.699 4.473 834 HG2 GLU 109 HG2 GLU 109 -2.999 -9.038 5.723 835 HG3 GLU 109 HG3 GLU 109 -2.321 -8.929 4.098 836 H LEU 110 H LEU 110 -5.070 -6.862 1.933 837 HA LEU 110 HA LEU 110 -4.285 -9.227 0.678 838 HB2 LEU 110 HB2 LEU 110 -6.596 -8.257 0.831 839 HB3 LEU 110 HB3 LEU 110 -6.155 -7.130 -0.431 840 HG LEU 110 HG LEU 110 -7.524 -9.197 -1.080 841 HD11 LEU 110 HD11 LEU 110 -4.971 -8.614 -2.569 842 HD12 LEU 110 HD12 LEU 110 -6.403 -9.405 -3.231 843 HD13 LEU 110 HD13 LEU 110 -6.487 -7.720 -2.712 844 HD21 LEU 110 HD21 LEU 110 -6.183 -11.203 -1.596 845 HD22 LEU 110 HD22 LEU 110 -4.814 -10.473 -0.757 846 HD23 LEU 110 HD23 LEU 110 -6.284 -10.869 0.134 847 H LEU 111 H LEU 111 -3.637 -5.886 -0.179 848 HA LEU 111 HA LEU 111 -2.945 -6.316 -2.875 849 HB2 LEU 111 HB2 LEU 111 -2.155 -4.138 -0.950 850 HB3 LEU 111 HB3 LEU 111 -1.788 -4.110 -2.666 851 HG LEU 111 HG LEU 111 -4.560 -4.163 -1.471 852 HD11 LEU 111 HD11 LEU 111 -4.714 -1.878 -2.344 853 HD12 LEU 111 HD12 LEU 111 -3.459 -2.033 -1.113 854 HD13 LEU 111 HD13 LEU 111 -3.018 -1.955 -2.820 855 HD21 LEU 111 HD21 LEU 111 -3.641 -3.947 -4.337 856 HD22 LEU 111 HD22 LEU 111 -4.478 -5.318 -3.609 857 HD23 LEU 111 HD23 LEU 111 -5.304 -3.770 -3.780 858 H ARG 112 H ARG 112 -1.123 -6.617 0.090 859 HA ARG 112 HA ARG 112 1.099 -7.608 -1.531 860 HB2 ARG 112 HB2 ARG 112 2.369 -6.976 0.760 861 HB3 ARG 112 HB3 ARG 112 2.303 -5.943 -0.655 862 HG2 ARG 112 HG2 ARG 112 1.808 -4.551 1.153 863 HG3 ARG 112 HG3 ARG 112 0.254 -4.882 0.393 864 HD2 ARG 112 HD2 ARG 112 -0.290 -6.492 2.082 865 HD3 ARG 112 HD3 ARG 112 1.324 -6.371 2.783 866 HE ARG 112 HE ARG 112 -0.465 -4.025 2.707 867 HH11 ARG 112 HH11 ARG 112 1.498 -6.326 4.471 868 HH12 ARG 112 HH12 ARG 112 1.329 -5.502 5.992 869 HH21 ARG 112 HH21 ARG 112 -0.647 -2.900 4.681 870 HH22 ARG 112 HH22 ARG 112 0.117 -3.541 6.113 871 H ALA 113 H ALA 113 -0.835 -9.215 -0.977 872 HA ALA 113 HA ALA 113 0.195 -10.984 1.130 873 HB1 ALA 113 HB1 ALA 113 -1.972 -12.103 1.026 874 HB2 ALA 113 HB2 ALA 113 -2.170 -10.379 1.349 875 HB3 ALA 113 HB3 ALA 113 -2.479 -11.016 -0.266 876 H GLN 114 H GLN 114 0.792 -13.070 0.578 877 HA GLN 114 HA GLN 114 1.658 -13.363 -2.148 878 HB2 GLN 114 HB2 GLN 114 2.062 -15.005 0.343 879 HB3 GLN 114 HB3 GLN 114 2.615 -15.559 -1.229 880 HG2 GLN 114 HG2 GLN 114 4.454 -14.558 -0.111 881 HG3 GLN 114 HG3 GLN 114 3.973 -13.484 -1.420 882 HE21 GLN 114 HE21 GLN 114 4.868 -11.676 -0.516 883 HE22 GLN 114 HE22 GLN 114 4.239 -10.916 0.903 884 H GLU 115 H GLU 115 1.617 -15.943 -2.711 885 HA GLU 115 HA GLU 115 0.440 -17.710 -3.480 886 HB2 GLU 115 HB2 GLU 115 -0.694 -17.799 -1.290 887 HB3 GLU 115 HB3 GLU 115 -1.903 -16.676 -1.892 888 HG2 GLU 115 HG2 GLU 115 -2.642 -18.275 -3.530 889 HG3 GLU 115 HG3 GLU 115 -1.357 -19.390 -3.063 890 H ALA 116 H ALA 116 -0.039 -17.779 -5.485 891 HA ALA 116 HA ALA 116 -2.233 -16.266 -6.611 892 HB1 ALA 116 HB1 ALA 116 -0.361 -14.705 -6.840 893 HB2 ALA 116 HB2 ALA 116 0.573 -15.944 -7.679 894 HB3 ALA 116 HB3 ALA 116 -0.892 -15.296 -8.415 895 HA PRO 117 HA PRO 117 -2.393 -20.274 -8.583 896 HB2 PRO 117 HB2 PRO 117 -4.667 -19.219 -10.075 897 HB3 PRO 117 HB3 PRO 117 -4.630 -20.488 -8.849 898 HG2 PRO 117 HG2 PRO 117 -5.763 -18.068 -8.413 899 HG3 PRO 117 HG3 PRO 117 -4.996 -19.016 -7.124 900 HD2 PRO 117 HD2 PRO 117 -3.917 -16.675 -8.652 901 HD3 PRO 117 HD3 PRO 117 -3.788 -17.051 -6.923 902 H GLY 118 H GLY 118 -0.453 -18.702 -9.709 903 HA2 GLY 118 HA2 GLY 118 0.767 -18.742 -11.667 904 HA3 GLY 118 HA3 GLY 118 -0.563 -19.595 -12.431 905 H GLN 119 H GLN 119 -2.081 -18.488 -13.574 906 HA GLN 119 HA GLN 119 -2.905 -16.880 -14.935 907 HB2 GLN 119 HB2 GLN 119 -3.426 -15.810 -12.728 908 HB3 GLN 119 HB3 GLN 119 -1.916 -14.920 -12.853 909 HG2 GLN 119 HG2 GLN 119 -2.727 -13.859 -14.912 910 HG3 GLN 119 HG3 GLN 119 -4.254 -14.726 -14.745 911 HE21 GLN 119 HE21 GLN 119 -3.674 -11.858 -14.786 912 HE22 GLN 119 HE22 GLN 119 -4.328 -11.222 -13.308 913 H ALA 120 H ALA 120 -0.348 -17.854 -15.438 914 HA ALA 120 HA ALA 120 0.698 -15.652 -17.033 915 HB1 ALA 120 HB1 ALA 120 2.442 -17.312 -15.210 916 HB2 ALA 120 HB2 ALA 120 3.021 -16.148 -16.402 917 HB3 ALA 120 HB3 ALA 120 2.072 -15.600 -15.020 918 H1 GLN 1 HT1 GLN 1 -18.048 25.252 0.628 919 H2 GLN 1 HT2 GLN 1 -16.682 25.163 1.634 920 H3 GLN 1 HT3 GLN 1 -18.202 25.521 2.297 921 HA GLN 1 HA GLN 1 -17.507 23.222 2.716 922 HB2 GLN 1 HB2 GLN 1 -19.932 23.985 2.437 923 HB3 GLN 1 HB3 GLN 1 -19.849 23.334 0.803 924 HG2 GLN 1 HG2 GLN 1 -19.423 21.119 1.674 925 HG3 GLN 1 HG3 GLN 1 -19.400 21.745 3.322 926 HE21 GLN 1 HE21 GLN 1 -21.109 19.706 2.151 927 HE22 GLN 1 HE22 GLN 1 -22.743 20.259 2.378 928 H ASP 2 H ASP 2 -17.492 21.013 1.650 929 HA ASP 2 HA ASP 2 -16.655 19.525 0.154 930 HB2 ASP 2 HB2 ASP 2 -18.458 20.540 -1.282 931 HB3 ASP 2 HB3 ASP 2 -17.241 21.623 -1.948 932 H THR 3 H THR 3 -14.608 19.711 1.080 933 HA THR 3 HA THR 3 -12.836 21.871 0.470 934 HB THR 3 HB THR 3 -12.052 19.311 1.845 935 HG1 THR 3 HG1 THR 3 -13.588 21.481 2.909 936 HG21 THR 3 HG21 THR 3 -10.294 20.978 1.462 937 HG22 THR 3 HG22 THR 3 -11.270 22.202 2.274 938 HG23 THR 3 HG23 THR 3 -10.651 20.823 3.183 939 H ARG 4 H ARG 4 -10.802 21.735 -0.571 940 HA ARG 4 HA ARG 4 -10.552 19.533 -2.499 941 HB2 ARG 4 HB2 ARG 4 -10.612 21.778 -3.488 942 HB3 ARG 4 HB3 ARG 4 -9.260 22.272 -2.480 943 HG2 ARG 4 HG2 ARG 4 -7.915 20.451 -3.603 944 HG3 ARG 4 HG3 ARG 4 -9.247 20.299 -4.749 945 HD2 ARG 4 HD2 ARG 4 -7.509 21.752 -5.633 946 HD3 ARG 4 HD3 ARG 4 -8.994 22.661 -5.348 947 HE ARG 4 HE ARG 4 -6.940 22.696 -3.268 948 HH11 ARG 4 HH11 ARG 4 -8.567 24.354 -5.888 949 HH12 ARG 4 HH12 ARG 4 -8.022 25.929 -5.390 950 HH21 ARG 4 HH21 ARG 4 -6.232 24.781 -2.610 951 HH22 ARG 4 HH22 ARG 4 -6.713 26.170 -3.541 952 H LEU 5 H LEU 5 -8.791 18.230 -2.496 953 HA LEU 5 HA LEU 5 -6.882 18.538 -0.309 954 HB2 LEU 5 HB2 LEU 5 -7.812 16.286 -1.999 955 HB3 LEU 5 HB3 LEU 5 -6.139 16.232 -1.480 956 HG LEU 5 HG LEU 5 -7.553 14.960 0.037 957 HD11 LEU 5 HD11 LEU 5 -5.584 16.108 0.931 958 HD12 LEU 5 HD12 LEU 5 -6.579 17.518 1.295 959 HD13 LEU 5 HD13 LEU 5 -6.874 15.993 2.129 960 HD21 LEU 5 HD21 LEU 5 -8.991 17.569 0.509 961 HD22 LEU 5 HD22 LEU 5 -9.653 16.145 -0.296 962 HD23 LEU 5 HD23 LEU 5 -9.238 16.077 1.417 Start of MODEL 3 1 H1 GLY 4 HT1 GLY 4 -20.445 -20.241 5.928 2 H2 GLY 4 HT2 GLY 4 -18.986 -20.943 6.435 3 H3 GLY 4 HT3 GLY 4 -20.270 -21.928 5.920 4 HA2 GLY 4 HA3 GLY 4 -18.595 -21.794 4.207 5 HA3 GLY 4 HA2 GLY 4 -20.094 -21.035 3.685 6 H ILE 5 H ILE 5 -17.282 -20.603 2.841 7 HA ILE 5 HA ILE 5 -16.769 -17.897 3.816 8 HB ILE 5 HB ILE 5 -14.651 -18.072 2.491 9 HG12 ILE 5 HG12 ILE 5 -14.026 -20.551 1.988 10 HG13 ILE 5 HG13 ILE 5 -15.764 -20.804 1.925 11 HG21 ILE 5 HG21 ILE 5 -14.685 -18.530 4.865 12 HG22 ILE 5 HG22 ILE 5 -15.143 -20.206 4.559 13 HG23 ILE 5 HG23 ILE 5 -13.559 -19.618 4.052 14 HD11 ILE 5 HD11 ILE 5 -15.937 -19.163 0.127 15 HD12 ILE 5 HD12 ILE 5 -14.194 -18.904 0.201 16 HD13 ILE 5 HD13 ILE 5 -14.831 -20.475 -0.290 17 H ASP 6 H ASP 6 -15.835 -16.424 2.055 18 HA ASP 6 HA ASP 6 -17.420 -16.568 -0.415 19 HB2 ASP 6 HB2 ASP 6 -17.067 -14.222 1.441 20 HB3 ASP 6 HB3 ASP 6 -17.386 -13.975 -0.269 21 HA PRO 7 HA PRO 7 -13.483 -15.829 -2.319 22 HB2 PRO 7 HB2 PRO 7 -14.211 -14.645 -4.629 23 HB3 PRO 7 HB3 PRO 7 -14.520 -16.360 -4.315 24 HG2 PRO 7 HG2 PRO 7 -16.368 -14.020 -4.061 25 HG3 PRO 7 HG3 PRO 7 -16.678 -15.608 -4.786 26 HD2 PRO 7 HD2 PRO 7 -17.485 -14.958 -2.281 27 HD3 PRO 7 HD3 PRO 7 -17.028 -16.612 -2.734 28 H PHE 8 H PHE 8 -11.994 -14.179 -2.812 29 HA PHE 8 HA PHE 8 -12.585 -11.696 -1.423 30 HB2 PHE 8 HB2 PHE 8 -9.985 -12.640 -2.657 31 HB3 PHE 8 HB3 PHE 8 -10.185 -11.286 -1.549 32 HD1 PHE 8 HD2 PHE 8 -11.750 -12.198 0.607 33 HD2 PHE 8 HD1 PHE 8 -8.882 -14.380 -1.658 34 HE1 PHE 8 HE2 PHE 8 -11.400 -13.711 2.515 35 HE2 PHE 8 HE1 PHE 8 -8.530 -15.899 0.246 36 HZ PHE 8 HZ PHE 8 -9.789 -15.565 2.335 37 H THR 9 H THR 9 -14.156 -11.371 -3.251 38 HA THR 9 HA THR 9 -13.041 -10.620 -5.811 39 HB THR 9 HB THR 9 -15.099 -11.905 -5.790 40 HG1 THR 9 HG1 THR 9 -16.408 -10.427 -7.059 41 HG21 THR 9 HG21 THR 9 -17.202 -10.931 -4.934 42 HG22 THR 9 HG22 THR 9 -16.022 -11.220 -3.654 43 HG23 THR 9 HG23 THR 9 -16.284 -9.582 -4.262 44 H MET 10 H MET 10 -12.829 -8.617 -6.597 45 HA MET 10 HA MET 10 -12.728 -6.362 -6.752 46 HB2 MET 10 HB2 MET 10 -15.299 -6.457 -5.168 47 HB3 MET 10 HB3 MET 10 -14.731 -5.109 -6.142 48 HG2 MET 10 HG2 MET 10 -15.530 -7.830 -7.152 49 HG3 MET 10 HG3 MET 10 -16.456 -6.339 -7.306 50 HE1 MET 10 HE1 MET 10 -15.715 -8.288 -9.746 51 HE2 MET 10 HE2 MET 10 -16.684 -6.822 -9.911 52 HE3 MET 10 HE3 MET 10 -15.308 -7.095 -10.981 53 H LEU 11 H LEU 11 -11.220 -7.442 -4.662 54 HA LEU 11 HA LEU 11 -11.553 -6.182 -2.188 55 HB2 LEU 11 HB2 LEU 11 -9.010 -6.600 -2.018 56 HB3 LEU 11 HB3 LEU 11 -10.094 -7.971 -2.143 57 HG LEU 11 HG LEU 11 -9.570 -7.923 -4.659 58 HD11 LEU 11 HD11 LEU 11 -8.523 -5.729 -4.742 59 HD12 LEU 11 HD12 LEU 11 -7.257 -6.285 -3.646 60 HD13 LEU 11 HD13 LEU 11 -7.399 -6.987 -5.257 61 HD21 LEU 11 HD21 LEU 11 -7.454 -8.654 -2.646 62 HD22 LEU 11 HD22 LEU 11 -8.801 -9.666 -3.173 63 HD23 LEU 11 HD23 LEU 11 -7.523 -9.232 -4.310 64 HA PRO 12 HA PRO 12 -10.512 -1.995 -2.644 65 HB2 PRO 12 HB2 PRO 12 -8.560 -2.065 -0.446 66 HB3 PRO 12 HB3 PRO 12 -10.103 -1.213 -0.552 67 HG2 PRO 12 HG2 PRO 12 -9.775 -3.354 1.036 68 HG3 PRO 12 HG3 PRO 12 -11.308 -3.028 0.207 69 HD2 PRO 12 HD2 PRO 12 -9.147 -4.980 -0.500 70 HD3 PRO 12 HD3 PRO 12 -10.911 -5.178 -0.569 71 H ARG 13 H ARG 13 -8.845 -0.370 -3.030 72 HA ARG 13 HA ARG 13 -6.258 -1.490 -3.839 73 HB2 ARG 13 HB2 ARG 13 -6.291 -0.119 -5.883 74 HB3 ARG 13 HB3 ARG 13 -7.596 -1.294 -5.871 75 HG2 ARG 13 HG2 ARG 13 -9.174 0.440 -5.228 76 HG3 ARG 13 HG3 ARG 13 -7.867 1.625 -5.189 77 HD2 ARG 13 HD2 ARG 13 -8.759 0.070 -7.614 78 HD3 ARG 13 HD3 ARG 13 -9.166 1.749 -7.268 79 HE ARG 13 HE ARG 13 -6.441 1.711 -7.223 80 HH11 ARG 13 HH11 ARG 13 -8.871 0.751 -9.560 81 HH12 ARG 13 HH12 ARG 13 -7.834 1.025 -10.934 82 HH21 ARG 13 HH21 ARG 13 -5.101 2.105 -9.007 83 HH22 ARG 13 HH22 ARG 13 -5.694 1.826 -10.623 84 H LEU 14 H LEU 14 -4.525 -0.209 -3.432 85 HA LEU 14 HA LEU 14 -5.024 2.231 -1.919 86 HB2 LEU 14 HB2 LEU 14 -3.469 0.453 -1.074 87 HB3 LEU 14 HB3 LEU 14 -2.413 0.792 -2.428 88 HG LEU 14 HG LEU 14 -3.134 2.985 -0.510 89 HD11 LEU 14 HD11 LEU 14 -0.963 0.925 -0.133 90 HD12 LEU 14 HD12 LEU 14 -1.144 2.405 0.809 91 HD13 LEU 14 HD13 LEU 14 -2.381 1.152 0.889 92 HD21 LEU 14 HD21 LEU 14 -0.962 3.856 -1.169 93 HD22 LEU 14 HD22 LEU 14 -0.661 2.422 -2.150 94 HD23 LEU 14 HD23 LEU 14 -1.951 3.541 -2.594 95 H CYS 15 H CYS 15 -4.765 4.185 -2.768 96 HA CYS 15 HA CYS 15 -3.480 4.358 -5.413 97 HB2 CYS 15 HB2 CYS 15 -5.615 6.144 -4.221 98 HB3 CYS 15 HB3 CYS 15 -4.934 6.278 -5.842 99 HG CYS 15 HG CYS 15 -7.650 4.969 -5.345 100 H CYS 16 H CYS 16 -1.468 5.131 -5.160 101 HA CYS 16 HA CYS 16 -0.882 7.029 -3.051 102 HB2 CYS 16 HB2 CYS 16 0.723 5.211 -3.672 103 HB3 CYS 16 HB3 CYS 16 0.940 5.993 -5.234 104 HG CYS 16 HG CYS 16 2.323 8.131 -4.384 105 H LEU 17 H LEU 17 -1.541 9.037 -3.384 106 HA LEU 17 HA LEU 17 -1.611 10.117 -6.076 107 HB2 LEU 17 HB2 LEU 17 -2.721 10.955 -3.436 108 HB3 LEU 17 HB3 LEU 17 -2.450 12.193 -4.651 109 HG LEU 17 HG LEU 17 -3.889 10.860 -6.219 110 HD11 LEU 17 HD11 LEU 17 -3.642 8.688 -5.084 111 HD12 LEU 17 HD12 LEU 17 -4.584 9.314 -3.731 112 HD13 LEU 17 HD13 LEU 17 -5.329 9.145 -5.320 113 HD21 LEU 17 HD21 LEU 17 -6.004 11.488 -5.112 114 HD22 LEU 17 HD22 LEU 17 -5.100 11.805 -3.631 115 HD23 LEU 17 HD23 LEU 17 -4.793 12.770 -5.074 116 H GLU 18 H GLU 18 -0.425 11.819 -6.797 117 HA GLU 18 HA GLU 18 2.068 12.293 -5.317 118 HB2 GLU 18 HB2 GLU 18 2.293 11.221 -7.515 119 HB3 GLU 18 HB3 GLU 18 1.436 12.559 -8.269 120 HG2 GLU 18 HG2 GLU 18 3.769 12.816 -8.677 121 HG3 GLU 18 HG3 GLU 18 3.262 14.066 -7.542 122 H LYS 19 H LYS 19 2.806 14.329 -4.956 123 HA LYS 19 HA LYS 19 1.056 16.513 -4.852 124 HB2 LYS 19 HB2 LYS 19 2.995 16.512 -3.460 125 HB3 LYS 19 HB3 LYS 19 4.070 16.355 -4.842 126 HG2 LYS 19 HG2 LYS 19 4.172 18.599 -3.982 127 HG3 LYS 19 HG3 LYS 19 3.423 18.615 -5.576 128 HD2 LYS 19 HD2 LYS 19 2.262 20.107 -4.030 129 HD3 LYS 19 HD3 LYS 19 1.216 18.785 -4.551 130 HE2 LYS 19 HE2 LYS 19 1.437 17.673 -2.489 131 HE3 LYS 19 HE3 LYS 19 2.785 18.696 -1.990 132 HZ1 LYS 19 HZ1 LYS 19 0.727 19.300 -0.873 133 HZ2 LYS 19 HZ2 LYS 19 1.274 20.567 -1.861 134 HZ3 LYS 19 HZ3 LYS 19 -0.018 19.601 -2.364 135 H GLY 20 H GLY 20 0.090 17.350 -6.530 136 HA2 GLY 20 HA2 GLY 20 1.497 17.647 -9.079 137 HA3 GLY 20 HA3 GLY 20 -0.218 17.915 -8.799 138 HA PRO 21 HA PRO 21 1.176 22.153 -9.453 139 HB2 PRO 21 HB2 PRO 21 -1.362 23.208 -8.988 140 HB3 PRO 21 HB3 PRO 21 -0.731 22.698 -10.554 141 HG2 PRO 21 HG2 PRO 21 -2.513 21.237 -8.663 142 HG3 PRO 21 HG3 PRO 21 -2.537 21.273 -10.435 143 HD2 PRO 21 HD2 PRO 21 -1.554 19.172 -9.092 144 HD3 PRO 21 HD3 PRO 21 -0.826 19.721 -10.616 145 H ASN 22 H ASN 22 -1.268 21.573 -6.907 146 HA ASN 22 HA ASN 22 0.540 22.661 -4.921 147 HB2 ASN 22 HB2 ASN 22 -1.146 24.297 -4.075 148 HB3 ASN 22 HB3 ASN 22 -0.480 24.710 -5.642 149 HD21 ASN 22 HD21 ASN 22 -3.077 22.383 -4.945 150 HD22 ASN 22 HD22 ASN 22 -4.284 23.243 -5.829 151 H GLY 23 H GLY 23 -0.514 20.077 -5.350 152 HA2 GLY 23 HA2 GLY 23 -1.366 19.129 -2.975 153 HA3 GLY 23 HA3 GLY 23 -2.854 19.740 -3.685 154 H TYR 24 H TYR 24 -3.994 18.043 -4.383 155 HA TYR 24 HA TYR 24 -2.569 16.014 -5.971 156 HB2 TYR 24 HB2 TYR 24 -4.701 15.370 -3.923 157 HB3 TYR 24 HB3 TYR 24 -3.739 14.224 -4.858 158 HD1 TYR 24 HD2 TYR 24 -1.139 14.447 -4.564 159 HD2 TYR 24 HD1 TYR 24 -3.998 15.915 -1.780 160 HE1 TYR 24 HE2 TYR 24 0.588 14.491 -2.818 161 HE2 TYR 24 HE1 TYR 24 -2.279 15.968 -0.028 162 HH TYR 24 HH TYR 24 -0.158 14.935 0.491 163 H GLY 25 H GLY 25 -5.449 17.903 -5.425 164 HA2 GLY 25 HA2 GLY 25 -6.544 18.772 -7.349 165 HA3 GLY 25 HA3 GLY 25 -6.075 17.337 -8.237 166 H PHE 26 H PHE 26 -7.572 16.991 -5.085 167 HA PHE 26 HA PHE 26 -10.151 16.590 -6.419 168 HB2 PHE 26 HB2 PHE 26 -10.631 14.602 -5.093 169 HB3 PHE 26 HB3 PHE 26 -9.187 14.364 -6.072 170 HD1 PHE 26 HD2 PHE 26 -6.917 14.731 -4.876 171 HD2 PHE 26 HD1 PHE 26 -10.606 14.116 -2.844 172 HE1 PHE 26 HE2 PHE 26 -5.691 14.004 -2.876 173 HE2 PHE 26 HE1 PHE 26 -9.381 13.387 -0.839 174 HZ PHE 26 HZ PHE 26 -6.919 13.325 -0.858 175 H HIS 27 H HIS 27 -11.994 16.749 -5.058 176 HA HIS 27 HA HIS 27 -11.533 18.537 -2.755 177 HB2 HIS 27 HB2 HIS 27 -13.941 18.297 -4.581 178 HB3 HIS 27 HB3 HIS 27 -13.864 19.330 -3.161 179 HD1 HIS 27 HD1 HIS 27 -13.477 21.679 -3.754 180 HD2 HIS 27 HD2 HIS 27 -11.648 19.089 -6.457 181 HE1 HIS 27 HE1 HIS 27 -12.411 23.149 -5.494 182 HE2 HIS 27 HE2 HIS 27 -11.504 21.561 -7.230 183 H LEU 28 H LEU 28 -11.934 17.612 -0.822 184 HA LEU 28 HA LEU 28 -13.666 15.240 -0.786 185 HB2 LEU 28 HB2 LEU 28 -11.400 15.052 0.208 186 HB3 LEU 28 HB3 LEU 28 -11.840 16.282 1.380 187 HG LEU 28 HG LEU 28 -13.863 14.457 1.679 188 HD11 LEU 28 HD11 LEU 28 -11.314 12.929 1.197 189 HD12 LEU 28 HD12 LEU 28 -12.796 12.270 1.893 190 HD13 LEU 28 HD13 LEU 28 -12.786 12.850 0.228 191 HD21 LEU 28 HD21 LEU 28 -11.256 14.645 3.172 192 HD22 LEU 28 HD22 LEU 28 -12.722 15.579 3.472 193 HD23 LEU 28 HD23 LEU 28 -12.713 13.838 3.757 194 H HIS 29 H HIS 29 -15.524 15.151 0.317 195 HA HIS 29 HA HIS 29 -16.374 17.562 1.783 196 HB2 HIS 29 HB2 HIS 29 -17.656 16.241 -0.253 197 HB3 HIS 29 HB3 HIS 29 -18.394 15.518 1.173 198 HD1 HIS 29 HD1 HIS 29 -20.150 16.894 2.394 199 HD2 HIS 29 HD2 HIS 29 -18.013 19.071 -0.443 200 HE1 HIS 29 HE1 HIS 29 -21.315 19.118 2.217 201 HE2 HIS 29 HE2 HIS 29 -20.131 20.329 0.342 202 H GLY 30 H GLY 30 -17.119 17.347 3.892 203 HA2 GLY 30 HA2 GLY 30 -17.012 14.619 5.009 204 HA3 GLY 30 HA3 GLY 30 -16.353 16.003 5.870 205 H GLU 31 H GLU 31 -18.814 13.994 5.977 206 HA GLU 31 HA GLU 31 -20.882 16.006 6.491 207 HB2 GLU 31 HB2 GLU 31 -21.195 12.999 6.455 208 HB3 GLU 31 HB3 GLU 31 -22.474 14.202 6.393 209 HG2 GLU 31 HG2 GLU 31 -20.433 13.654 4.246 210 HG3 GLU 31 HG3 GLU 31 -22.133 13.188 4.219 211 H LYS 32 H LYS 32 -21.915 16.152 8.476 212 HA LYS 32 HA LYS 32 -22.154 16.103 10.729 213 HB2 LYS 32 HB2 LYS 32 -21.626 13.284 9.995 214 HB3 LYS 32 HB3 LYS 32 -21.502 13.689 11.703 215 HG2 LYS 32 HG2 LYS 32 -23.903 14.379 10.031 216 HG3 LYS 32 HG3 LYS 32 -23.748 12.865 10.930 217 HD2 LYS 32 HD2 LYS 32 -23.537 14.072 13.009 218 HD3 LYS 32 HD3 LYS 32 -23.526 15.616 12.156 219 HE2 LYS 32 HE2 LYS 32 -25.705 15.096 13.201 220 HE3 LYS 32 HE3 LYS 32 -25.805 15.297 11.452 221 HZ1 LYS 32 HZ1 LYS 32 -26.104 13.038 11.130 222 HZ2 LYS 32 HZ2 LYS 32 -25.516 12.613 12.662 223 HZ3 LYS 32 HZ3 LYS 32 -27.034 13.356 12.506 224 H GLY 33 H GLY 33 -19.451 16.709 9.536 225 HA2 GLY 33 HA2 GLY 33 -17.571 17.623 10.527 226 HA3 GLY 33 HA3 GLY 33 -18.106 16.982 12.071 227 H LYS 34 H LYS 34 -18.317 14.240 11.277 228 HA LYS 34 HA LYS 34 -15.461 13.634 10.904 229 HB2 LYS 34 HB2 LYS 34 -17.330 12.162 12.767 230 HB3 LYS 34 HB3 LYS 34 -15.600 11.906 12.587 231 HG2 LYS 34 HG2 LYS 34 -15.293 14.275 13.404 232 HG3 LYS 34 HG3 LYS 34 -17.010 14.258 13.816 233 HD2 LYS 34 HD2 LYS 34 -16.599 12.253 15.219 234 HD3 LYS 34 HD3 LYS 34 -14.875 12.412 14.883 235 HE2 LYS 34 HE2 LYS 34 -15.248 13.429 16.989 236 HE3 LYS 34 HE3 LYS 34 -15.020 14.739 15.831 237 HZ1 LYS 34 HZ1 LYS 34 -16.856 15.271 17.232 238 HZ2 LYS 34 HZ2 LYS 34 -17.474 14.913 15.698 239 HZ3 LYS 34 HZ3 LYS 34 -17.595 13.772 16.946 240 H LEU 35 H LEU 35 -18.569 11.895 11.147 241 HA LEU 35 HA LEU 35 -17.531 9.816 9.470 242 HB2 LEU 35 HB2 LEU 35 -20.306 10.178 10.585 243 HB3 LEU 35 HB3 LEU 35 -19.683 8.724 9.827 244 HG LEU 35 HG LEU 35 -18.663 9.916 12.408 245 HD11 LEU 35 HD11 LEU 35 -19.717 7.970 13.443 246 HD12 LEU 35 HD12 LEU 35 -20.900 8.993 12.628 247 HD13 LEU 35 HD13 LEU 35 -20.365 7.490 11.875 248 HD21 LEU 35 HD21 LEU 35 -16.931 8.727 11.150 249 HD22 LEU 35 HD22 LEU 35 -17.392 7.839 12.601 250 HD23 LEU 35 HD23 LEU 35 -17.986 7.321 11.024 251 H GLY 36 H GLY 36 -17.509 9.921 7.354 252 HA2 GLY 36 HA2 GLY 36 -19.035 9.680 5.420 253 HA3 GLY 36 HA3 GLY 36 -19.852 11.121 6.005 254 H GLN 37 H GLN 37 -16.473 10.205 5.309 255 HA GLN 37 HA GLN 37 -16.227 12.722 3.848 256 HB2 GLN 37 HB2 GLN 37 -13.737 12.044 3.784 257 HB3 GLN 37 HB3 GLN 37 -14.418 12.636 5.286 258 HG2 GLN 37 HG2 GLN 37 -14.089 9.713 4.662 259 HG3 GLN 37 HG3 GLN 37 -12.853 10.682 5.462 260 HE21 GLN 37 HE21 GLN 37 -13.360 11.605 7.512 261 HE22 GLN 37 HE22 GLN 37 -14.541 10.879 8.539 262 H TYR 38 H TYR 38 -16.472 12.741 1.778 263 HA TYR 38 HA TYR 38 -15.842 10.336 0.201 264 HB2 TYR 38 HB2 TYR 38 -18.259 12.131 -0.119 265 HB3 TYR 38 HB3 TYR 38 -17.820 10.823 -1.208 266 HD1 TYR 38 HD1 TYR 38 -17.711 8.452 -0.188 267 HD2 TYR 38 HD2 TYR 38 -19.670 11.731 1.684 268 HE1 TYR 38 HE1 TYR 38 -19.046 6.881 1.151 269 HE2 TYR 38 HE2 TYR 38 -21.009 10.171 3.035 270 HH TYR 38 HH TYR 38 -21.798 7.778 2.822 271 H ILE 39 H ILE 39 -15.274 10.737 -1.977 272 HA ILE 39 HA ILE 39 -13.978 13.275 -2.431 273 HB ILE 39 HB ILE 39 -14.372 11.070 -4.458 274 HG12 ILE 39 HG12 ILE 39 -13.380 10.060 -2.476 275 HG13 ILE 39 HG13 ILE 39 -12.178 10.181 -3.754 276 HG21 ILE 39 HG21 ILE 39 -12.277 13.217 -4.172 277 HG22 ILE 39 HG22 ILE 39 -12.301 11.971 -5.421 278 HG23 ILE 39 HG23 ILE 39 -13.584 13.180 -5.354 279 HD11 ILE 39 HD11 ILE 39 -11.201 10.747 -1.634 280 HD12 ILE 39 HD12 ILE 39 -11.265 12.186 -2.656 281 HD13 ILE 39 HD13 ILE 39 -12.439 11.972 -1.353 282 H ARG 40 H ARG 40 -15.014 15.001 -3.234 283 HA ARG 40 HA ARG 40 -17.714 14.655 -4.237 284 HB2 ARG 40 HB2 ARG 40 -17.275 16.471 -2.650 285 HB3 ARG 40 HB3 ARG 40 -16.097 17.172 -3.755 286 HG2 ARG 40 HG2 ARG 40 -17.919 17.506 -5.406 287 HG3 ARG 40 HG3 ARG 40 -19.068 16.927 -4.198 288 HD2 ARG 40 HD2 ARG 40 -18.484 18.763 -2.725 289 HD3 ARG 40 HD3 ARG 40 -17.254 19.315 -3.862 290 HE ARG 40 HE ARG 40 -19.987 19.158 -4.866 291 HH11 ARG 40 HH11 ARG 40 -17.436 21.175 -3.558 292 HH12 ARG 40 HH12 ARG 40 -18.118 22.655 -4.146 293 HH21 ARG 40 HH21 ARG 40 -20.885 21.113 -5.663 294 HH22 ARG 40 HH22 ARG 40 -20.060 22.616 -5.372 295 H LEU 41 H LEU 41 -14.587 15.790 -5.418 296 HA LEU 41 HA LEU 41 -15.317 15.233 -8.129 297 HB2 LEU 41 HB2 LEU 41 -16.387 17.459 -7.688 298 HB3 LEU 41 HB3 LEU 41 -14.788 18.110 -7.385 299 HG LEU 41 HG LEU 41 -14.163 17.482 -9.727 300 HD11 LEU 41 HD11 LEU 41 -15.840 15.743 -10.071 301 HD12 LEU 41 HD12 LEU 41 -17.121 16.952 -9.980 302 HD13 LEU 41 HD13 LEU 41 -15.959 16.996 -11.307 303 HD21 LEU 41 HD21 LEU 41 -16.508 19.357 -9.427 304 HD22 LEU 41 HD22 LEU 41 -14.818 19.758 -9.118 305 HD23 LEU 41 HD23 LEU 41 -15.342 19.351 -10.752 306 H VAL 42 H VAL 42 -13.539 14.779 -9.296 307 HA VAL 42 HA VAL 42 -10.947 15.738 -8.283 308 HB VAL 42 HB VAL 42 -9.861 13.852 -9.391 309 HG11 VAL 42 HG11 VAL 42 -10.506 13.589 -7.072 310 HG12 VAL 42 HG12 VAL 42 -12.082 12.965 -7.564 311 HG13 VAL 42 HG13 VAL 42 -10.615 12.053 -7.930 312 HG21 VAL 42 HG21 VAL 42 -11.399 13.470 -11.219 313 HG22 VAL 42 HG22 VAL 42 -11.159 11.983 -10.301 314 HG23 VAL 42 HG23 VAL 42 -12.640 12.920 -10.091 315 H GLU 43 H GLU 43 -9.606 16.775 -9.680 316 HA GLU 43 HA GLU 43 -10.781 17.898 -12.030 317 HB2 GLU 43 HB2 GLU 43 -9.102 18.960 -10.401 318 HB3 GLU 43 HB3 GLU 43 -7.875 18.029 -11.247 319 HG2 GLU 43 HG2 GLU 43 -8.302 19.173 -13.285 320 HG3 GLU 43 HG3 GLU 43 -9.732 19.950 -12.605 321 HA PRO 44 HA PRO 44 -9.788 14.691 -14.904 322 HB2 PRO 44 HB2 PRO 44 -9.544 16.259 -17.161 323 HB3 PRO 44 HB3 PRO 44 -11.080 15.696 -16.492 324 HG2 PRO 44 HG2 PRO 44 -9.714 18.335 -16.146 325 HG3 PRO 44 HG3 PRO 44 -11.430 17.988 -16.420 326 HD2 PRO 44 HD2 PRO 44 -10.528 18.594 -13.987 327 HD3 PRO 44 HD3 PRO 44 -11.784 17.357 -14.210 328 H GLY 45 H GLY 45 -7.763 17.489 -14.506 329 HA2 GLY 45 HA2 GLY 45 -5.483 15.937 -15.560 330 HA3 GLY 45 HA3 GLY 45 -5.545 17.694 -15.523 331 H SER 46 H SER 46 -6.191 15.159 -13.101 332 HA SER 46 HA SER 46 -4.128 16.397 -11.410 333 HB2 SER 46 HB2 SER 46 -5.527 16.102 -9.448 334 HB3 SER 46 HB3 SER 46 -6.420 17.037 -10.648 335 HG SER 46 HG SER 46 -7.600 15.211 -11.169 336 HA PRO 47 HA PRO 47 -2.432 12.342 -10.808 337 HB2 PRO 47 HB2 PRO 47 -2.116 13.132 -7.968 338 HB3 PRO 47 HB3 PRO 47 -0.902 12.584 -9.128 339 HG2 PRO 47 HG2 PRO 47 -1.037 15.143 -8.412 340 HG3 PRO 47 HG3 PRO 47 -0.684 14.686 -10.089 341 HD2 PRO 47 HD2 PRO 47 -3.249 15.660 -8.888 342 HD3 PRO 47 HD3 PRO 47 -2.510 16.068 -10.452 343 H ALA 48 H ALA 48 -5.186 13.467 -9.059 344 HA ALA 48 HA ALA 48 -5.577 11.251 -7.349 345 HB1 ALA 48 HB1 ALA 48 -7.869 12.070 -7.134 346 HB2 ALA 48 HB2 ALA 48 -6.706 13.388 -7.003 347 HB3 ALA 48 HB3 ALA 48 -7.614 13.158 -8.498 348 H GLU 49 H GLU 49 -6.987 12.061 -10.519 349 HA GLU 49 HA GLU 49 -8.414 9.607 -10.695 350 HB2 GLU 49 HB2 GLU 49 -8.962 10.286 -12.975 351 HB3 GLU 49 HB3 GLU 49 -9.206 11.609 -11.848 352 HG2 GLU 49 HG2 GLU 49 -8.061 12.857 -13.276 353 HG3 GLU 49 HG3 GLU 49 -6.623 11.990 -12.736 354 H LYS 50 H LYS 50 -5.237 10.650 -11.640 355 HA LYS 50 HA LYS 50 -4.673 8.438 -13.358 356 HB2 LYS 50 HB2 LYS 50 -2.813 10.320 -11.903 357 HB3 LYS 50 HB3 LYS 50 -2.310 9.159 -13.122 358 HG2 LYS 50 HG2 LYS 50 -3.815 10.319 -14.736 359 HG3 LYS 50 HG3 LYS 50 -4.088 11.555 -13.506 360 HD2 LYS 50 HD2 LYS 50 -1.394 10.792 -14.642 361 HD3 LYS 50 HD3 LYS 50 -2.346 12.191 -15.145 362 HE2 LYS 50 HE2 LYS 50 -2.174 13.158 -12.936 363 HE3 LYS 50 HE3 LYS 50 -1.362 11.714 -12.332 364 HZ1 LYS 50 HZ1 LYS 50 0.484 12.161 -13.814 365 HZ2 LYS 50 HZ2 LYS 50 -0.291 13.544 -14.413 366 HZ3 LYS 50 HZ3 LYS 50 0.209 13.488 -12.797 367 H ALA 51 H ALA 51 -4.720 8.874 -9.948 368 HA ALA 51 HA ALA 51 -3.056 6.545 -9.433 369 HB1 ALA 51 HB1 ALA 51 -3.471 7.005 -7.085 370 HB2 ALA 51 HB2 ALA 51 -2.968 8.476 -7.917 371 HB3 ALA 51 HB3 ALA 51 -4.668 8.227 -7.516 372 H GLY 52 H GLY 52 -6.278 7.223 -10.145 373 HA2 GLY 52 HA2 GLY 52 -7.801 5.405 -10.590 374 HA3 GLY 52 HA3 GLY 52 -7.080 4.531 -9.248 375 H LEU 53 H LEU 53 -7.373 7.660 -8.298 376 HA LEU 53 HA LEU 53 -9.692 7.072 -6.662 377 HB2 LEU 53 HB2 LEU 53 -7.631 8.109 -5.736 378 HB3 LEU 53 HB3 LEU 53 -7.906 9.510 -6.746 379 HG LEU 53 HG LEU 53 -10.071 8.742 -4.850 380 HD11 LEU 53 HD11 LEU 53 -8.936 9.999 -3.059 381 HD12 LEU 53 HD12 LEU 53 -8.103 8.501 -3.476 382 HD13 LEU 53 HD13 LEU 53 -7.476 10.048 -4.049 383 HD21 LEU 53 HD21 LEU 53 -10.298 11.168 -4.689 384 HD22 LEU 53 HD22 LEU 53 -8.873 11.380 -5.708 385 HD23 LEU 53 HD23 LEU 53 -10.334 10.646 -6.374 386 H LEU 54 H LEU 54 -11.693 7.759 -7.078 387 HA LEU 54 HA LEU 54 -12.045 9.780 -9.203 388 HB2 LEU 54 HB2 LEU 54 -13.647 7.264 -8.733 389 HB3 LEU 54 HB3 LEU 54 -14.073 8.512 -9.887 390 HG LEU 54 HG LEU 54 -11.569 6.827 -9.988 391 HD11 LEU 54 HD11 LEU 54 -12.618 5.784 -11.936 392 HD12 LEU 54 HD12 LEU 54 -13.567 5.525 -10.473 393 HD13 LEU 54 HD13 LEU 54 -14.079 6.729 -11.656 394 HD21 LEU 54 HD21 LEU 54 -12.669 8.866 -11.922 395 HD22 LEU 54 HD22 LEU 54 -11.211 9.033 -10.944 396 HD23 LEU 54 HD23 LEU 54 -11.284 7.818 -12.222 397 H ALA 55 H ALA 55 -14.245 10.751 -9.196 398 HA ALA 55 HA ALA 55 -14.787 11.795 -6.586 399 HB1 ALA 55 HB1 ALA 55 -16.404 13.219 -7.710 400 HB2 ALA 55 HB2 ALA 55 -14.877 13.201 -8.596 401 HB3 ALA 55 HB3 ALA 55 -16.249 12.261 -9.184 402 H GLY 56 H GLY 56 -15.534 10.066 -5.379 403 HA2 GLY 56 HA2 GLY 56 -18.088 9.632 -4.853 404 HA3 GLY 56 HA3 GLY 56 -17.904 8.624 -6.282 405 H ASP 57 H ASP 57 -14.962 8.433 -5.032 406 HA ASP 57 HA ASP 57 -15.422 5.873 -3.843 407 HB2 ASP 57 HB2 ASP 57 -12.930 7.543 -4.184 408 HB3 ASP 57 HB3 ASP 57 -12.927 5.970 -3.397 409 H ARG 58 H ARG 58 -15.004 5.241 -1.744 410 HA ARG 58 HA ARG 58 -15.311 7.288 0.300 411 HB2 ARG 58 HB2 ARG 58 -15.257 4.276 0.345 412 HB3 ARG 58 HB3 ARG 58 -15.199 5.216 1.827 413 HG2 ARG 58 HG2 ARG 58 -17.355 6.163 1.366 414 HG3 ARG 58 HG3 ARG 58 -17.402 5.372 -0.214 415 HD2 ARG 58 HD2 ARG 58 -18.697 4.238 1.643 416 HD3 ARG 58 HD3 ARG 58 -17.561 3.229 0.752 417 HE ARG 58 HE ARG 58 -16.068 4.011 2.832 418 HH11 ARG 58 HH11 ARG 58 -19.357 2.846 2.736 419 HH12 ARG 58 HH12 ARG 58 -19.219 1.953 4.215 420 HH21 ARG 58 HH21 ARG 58 -15.878 2.874 4.826 421 HH22 ARG 58 HH22 ARG 58 -17.250 1.985 5.411 422 H LEU 59 H LEU 59 -13.655 8.142 1.398 423 HA LEU 59 HA LEU 59 -11.004 7.013 1.058 424 HB2 LEU 59 HB2 LEU 59 -11.363 9.461 0.962 425 HB3 LEU 59 HB3 LEU 59 -11.895 9.432 2.634 426 HG LEU 59 HG LEU 59 -9.687 8.785 3.383 427 HD11 LEU 59 HD11 LEU 59 -7.825 8.566 1.802 428 HD12 LEU 59 HD12 LEU 59 -9.064 7.342 1.525 429 HD13 LEU 59 HD13 LEU 59 -8.950 8.742 0.458 430 HD21 LEU 59 HD21 LEU 59 -8.424 10.767 2.706 431 HD22 LEU 59 HD22 LEU 59 -9.560 11.041 1.383 432 HD23 LEU 59 HD23 LEU 59 -10.105 11.166 3.056 433 H VAL 60 H VAL 60 -10.634 5.262 2.225 434 HA VAL 60 HA VAL 60 -11.982 4.895 4.773 435 HB VAL 60 HB VAL 60 -10.177 3.021 3.234 436 HG11 VAL 60 HG11 VAL 60 -11.974 2.475 5.597 437 HG12 VAL 60 HG12 VAL 60 -11.055 1.269 4.694 438 HG13 VAL 60 HG13 VAL 60 -10.212 2.510 5.620 439 HG21 VAL 60 HG21 VAL 60 -13.185 3.145 3.421 440 HG22 VAL 60 HG22 VAL 60 -12.204 3.508 2.000 441 HG23 VAL 60 HG23 VAL 60 -12.263 1.864 2.633 442 H GLU 61 H GLU 61 -8.633 4.728 3.569 443 HA GLU 61 HA GLU 61 -7.750 5.566 6.236 444 HB2 GLU 61 HB2 GLU 61 -6.481 3.343 4.627 445 HB3 GLU 61 HB3 GLU 61 -5.871 3.982 6.146 446 HG2 GLU 61 HG2 GLU 61 -8.092 3.280 7.154 447 HG3 GLU 61 HG3 GLU 61 -8.357 2.378 5.664 448 H VAL 62 H VAL 62 -5.787 6.678 6.309 449 HA VAL 62 HA VAL 62 -4.706 7.535 3.699 450 HB VAL 62 HB VAL 62 -4.909 9.169 6.244 451 HG11 VAL 62 HG11 VAL 62 -3.685 9.893 3.583 452 HG12 VAL 62 HG12 VAL 62 -3.929 11.000 4.934 453 HG13 VAL 62 HG13 VAL 62 -2.817 9.641 5.098 454 HG21 VAL 62 HG21 VAL 62 -7.021 9.014 5.038 455 HG22 VAL 62 HG22 VAL 62 -6.350 10.642 4.928 456 HG23 VAL 62 HG23 VAL 62 -6.223 9.542 3.555 457 H ASN 63 H ASN 63 -2.823 6.596 3.420 458 HA ASN 63 HA ASN 63 -0.694 5.884 3.721 459 HB2 ASN 63 HB2 ASN 63 -0.847 7.752 6.080 460 HB3 ASN 63 HB3 ASN 63 0.619 6.874 5.652 461 HD21 ASN 63 HD21 ASN 63 -0.118 9.773 5.663 462 HD22 ASN 63 HD22 ASN 63 0.319 10.330 4.088 463 H GLY 64 H GLY 64 -3.107 4.637 5.247 464 HA2 GLY 64 HA2 GLY 64 -2.858 2.307 5.876 465 HA3 GLY 64 HA3 GLY 64 -1.363 2.741 6.686 466 H GLU 65 H GLU 65 -3.527 5.137 7.405 467 HA GLU 65 HA GLU 65 -4.494 3.682 9.781 468 HB2 GLU 65 HB2 GLU 65 -4.525 5.872 10.937 469 HB3 GLU 65 HB3 GLU 65 -2.914 5.398 10.427 470 HG2 GLU 65 HG2 GLU 65 -3.130 6.875 8.470 471 HG3 GLU 65 HG3 GLU 65 -4.706 7.389 9.067 472 H ASN 66 H ASN 66 -6.623 3.727 10.242 473 HA ASN 66 HA ASN 66 -8.435 4.378 8.167 474 HB2 ASN 66 HB2 ASN 66 -8.776 2.560 9.850 475 HB3 ASN 66 HB3 ASN 66 -9.084 3.794 11.065 476 HD21 ASN 66 HD21 ASN 66 -11.025 4.950 11.010 477 HD22 ASN 66 HD22 ASN 66 -12.362 4.430 10.035 478 H VAL 67 H VAL 67 -9.514 6.194 7.737 479 HA VAL 67 HA VAL 67 -9.399 8.327 9.764 480 HB VAL 67 HB VAL 67 -9.430 9.955 7.876 481 HG11 VAL 67 HG11 VAL 67 -7.108 8.037 7.978 482 HG12 VAL 67 HG12 VAL 67 -7.057 9.658 7.285 483 HG13 VAL 67 HG13 VAL 67 -7.358 9.444 9.011 484 HG21 VAL 67 HG21 VAL 67 -8.788 9.156 5.641 485 HG22 VAL 67 HG22 VAL 67 -8.926 7.492 6.208 486 HG23 VAL 67 HG23 VAL 67 -10.355 8.523 6.143 487 H GLU 68 H GLU 68 -11.500 6.230 8.547 488 HA GLU 68 HA GLU 68 -13.662 7.713 7.580 489 HB2 GLU 68 HB2 GLU 68 -13.547 5.110 9.079 490 HB3 GLU 68 HB3 GLU 68 -15.063 5.798 8.520 491 HG2 GLU 68 HG2 GLU 68 -14.124 5.768 6.206 492 HG3 GLU 68 HG3 GLU 68 -12.745 4.872 6.852 493 H LYS 69 H LYS 69 -12.637 7.104 10.898 494 HA LYS 69 HA LYS 69 -15.171 8.233 11.849 495 HB2 LYS 69 HB2 LYS 69 -13.135 7.110 13.723 496 HB3 LYS 69 HB3 LYS 69 -14.886 7.114 13.848 497 HG2 LYS 69 HG2 LYS 69 -13.200 5.341 12.093 498 HG3 LYS 69 HG3 LYS 69 -14.110 4.866 13.524 499 HD2 LYS 69 HD2 LYS 69 -16.205 5.447 12.350 500 HD3 LYS 69 HD3 LYS 69 -15.264 5.859 10.914 501 HE2 LYS 69 HE2 LYS 69 -14.347 3.515 10.977 502 HE3 LYS 69 HE3 LYS 69 -15.535 3.159 12.227 503 HZ1 LYS 69 HZ1 LYS 69 -15.962 3.726 9.363 504 HZ2 LYS 69 HZ2 LYS 69 -16.592 2.479 10.326 505 HZ3 LYS 69 HZ3 LYS 69 -17.204 4.050 10.482 506 H GLU 70 H GLU 70 -12.310 9.366 10.948 507 HA GLU 70 HA GLU 70 -11.764 11.120 13.202 508 HB2 GLU 70 HB2 GLU 70 -10.509 11.227 10.460 509 HB3 GLU 70 HB3 GLU 70 -9.859 11.854 11.969 510 HG2 GLU 70 HG2 GLU 70 -10.218 8.955 11.258 511 HG3 GLU 70 HG3 GLU 70 -8.699 9.845 11.271 512 H THR 71 H THR 71 -11.539 13.525 12.680 513 HA THR 71 HA THR 71 -14.015 14.419 11.556 514 HB THR 71 HB THR 71 -13.317 16.666 12.149 515 HG1 THR 71 HG1 THR 71 -11.057 16.547 13.324 516 HG21 THR 71 HG21 THR 71 -14.145 15.264 13.970 517 HG22 THR 71 HG22 THR 71 -12.510 14.677 14.274 518 HG23 THR 71 HG23 THR 71 -12.904 16.373 14.555 519 H HIS 72 H HIS 72 -14.215 15.939 9.802 520 HA HIS 72 HA HIS 72 -12.866 15.258 7.473 521 HB2 HIS 72 HB2 HIS 72 -14.975 16.347 7.330 522 HB3 HIS 72 HB3 HIS 72 -14.404 17.738 8.243 523 HD1 HIS 72 HD1 HIS 72 -14.371 16.244 4.806 524 HD2 HIS 72 HD2 HIS 72 -13.017 19.658 6.751 525 HE1 HIS 72 HE1 HIS 72 -13.701 17.842 2.983 526 HE2 HIS 72 HE2 HIS 72 -12.821 19.879 4.179 527 H GLN 73 H GLN 73 -12.183 17.822 9.807 528 HA GLN 73 HA GLN 73 -10.070 19.046 8.404 529 HB2 GLN 73 HB2 GLN 73 -11.185 20.082 10.338 530 HB3 GLN 73 HB3 GLN 73 -10.525 18.839 11.390 531 HG2 GLN 73 HG2 GLN 73 -9.251 20.861 11.619 532 HG3 GLN 73 HG3 GLN 73 -8.260 19.617 10.861 533 HE21 GLN 73 HE21 GLN 73 -6.862 21.115 9.961 534 HE22 GLN 73 HE22 GLN 73 -7.317 22.133 8.640 535 H GLN 74 H GLN 74 -10.125 16.389 10.759 536 HA GLN 74 HA GLN 74 -7.355 16.028 10.992 537 HB2 GLN 74 HB2 GLN 74 -9.688 14.164 11.347 538 HB3 GLN 74 HB3 GLN 74 -8.035 13.597 11.533 539 HG2 GLN 74 HG2 GLN 74 -9.266 15.847 13.099 540 HG3 GLN 74 HG3 GLN 74 -9.115 14.185 13.664 541 HE21 GLN 74 HE21 GLN 74 -8.010 16.672 14.721 542 HE22 GLN 74 HE22 GLN 74 -6.292 16.439 14.797 543 H VAL 75 H VAL 75 -9.712 14.516 8.823 544 HA VAL 75 HA VAL 75 -7.966 12.704 7.599 545 HB VAL 75 HB VAL 75 -10.366 14.005 6.301 546 HG11 VAL 75 HG11 VAL 75 -8.966 12.751 4.754 547 HG12 VAL 75 HG12 VAL 75 -9.031 11.345 5.819 548 HG13 VAL 75 HG13 VAL 75 -10.499 11.922 5.027 549 HG21 VAL 75 HG21 VAL 75 -11.010 13.118 8.457 550 HG22 VAL 75 HG22 VAL 75 -11.640 12.083 7.176 551 HG23 VAL 75 HG23 VAL 75 -10.220 11.585 8.094 552 H VAL 76 H VAL 76 -8.936 15.973 6.589 553 HA VAL 76 HA VAL 76 -7.494 15.938 4.157 554 HB VAL 76 HB VAL 76 -8.438 18.297 5.794 555 HG11 VAL 76 HG11 VAL 76 -6.636 18.880 4.193 556 HG12 VAL 76 HG12 VAL 76 -7.627 18.225 2.888 557 HG13 VAL 76 HG13 VAL 76 -8.183 19.628 3.799 558 HG21 VAL 76 HG21 VAL 76 -9.671 16.888 3.429 559 HG22 VAL 76 HG22 VAL 76 -10.246 16.825 5.094 560 HG23 VAL 76 HG23 VAL 76 -10.302 18.344 4.199 561 H SER 77 H SER 77 -6.670 17.030 7.407 562 HA SER 77 HA SER 77 -4.281 18.360 6.758 563 HB2 SER 77 HB2 SER 77 -5.012 16.961 9.339 564 HB3 SER 77 HB3 SER 77 -3.738 18.166 9.140 565 HG SER 77 HG SER 77 -6.541 18.497 8.974 566 H ARG 78 H ARG 78 -4.957 14.985 7.513 567 HA ARG 78 HA ARG 78 -2.246 14.157 7.686 568 HB2 ARG 78 HB2 ARG 78 -4.729 12.543 7.082 569 HB3 ARG 78 HB3 ARG 78 -3.167 11.880 7.555 570 HG2 ARG 78 HG2 ARG 78 -3.307 12.932 9.703 571 HG3 ARG 78 HG3 ARG 78 -4.770 13.790 9.233 572 HD2 ARG 78 HD2 ARG 78 -5.835 11.515 8.916 573 HD3 ARG 78 HD3 ARG 78 -4.423 10.849 9.742 574 HE ARG 78 HE ARG 78 -5.606 12.985 11.202 575 HH11 ARG 78 HH11 ARG 78 -5.831 9.557 10.570 576 HH12 ARG 78 HH12 ARG 78 -6.758 9.228 11.998 577 HH21 ARG 78 HH21 ARG 78 -6.794 12.568 13.086 578 HH22 ARG 78 HH22 ARG 78 -7.362 10.954 13.412 579 H ILE 79 H ILE 79 -4.576 14.308 5.039 580 HA ILE 79 HA ILE 79 -2.958 13.033 3.097 581 HB ILE 79 HB ILE 79 -5.047 15.169 2.629 582 HG12 ILE 79 HG12 ILE 79 -5.399 12.166 2.675 583 HG13 ILE 79 HG13 ILE 79 -5.875 13.243 3.984 584 HG21 ILE 79 HG21 ILE 79 -3.621 14.723 0.694 585 HG22 ILE 79 HG22 ILE 79 -3.999 13.003 0.809 586 HG23 ILE 79 HG23 ILE 79 -5.270 14.162 0.419 587 HD11 ILE 79 HD11 ILE 79 -6.971 13.290 1.181 588 HD12 ILE 79 HD12 ILE 79 -7.775 12.625 2.602 589 HD13 ILE 79 HD13 ILE 79 -7.455 14.356 2.500 590 H ARG 80 H ARG 80 -3.403 16.424 4.030 591 HA ARG 80 HA ARG 80 -1.551 17.473 2.140 592 HB2 ARG 80 HB2 ARG 80 -2.869 18.589 4.597 593 HB3 ARG 80 HB3 ARG 80 -1.634 19.501 3.738 594 HG2 ARG 80 HG2 ARG 80 -2.962 19.447 1.714 595 HG3 ARG 80 HG3 ARG 80 -4.180 18.458 2.518 596 HD2 ARG 80 HD2 ARG 80 -4.815 20.840 2.376 597 HD3 ARG 80 HD3 ARG 80 -4.702 20.256 4.035 598 HE ARG 80 HE ARG 80 -2.638 21.464 4.266 599 HH11 ARG 80 HH11 ARG 80 -4.374 22.134 1.290 600 HH12 ARG 80 HH12 ARG 80 -3.681 23.722 1.103 601 HH21 ARG 80 HH21 ARG 80 -1.722 23.540 3.999 602 HH22 ARG 80 HH22 ARG 80 -2.156 24.502 2.621 603 H ALA 81 H ALA 81 -1.215 16.054 5.265 604 HA ALA 81 HA ALA 81 1.247 17.142 6.071 605 HB1 ALA 81 HB1 ALA 81 1.419 15.197 7.540 606 HB2 ALA 81 HB2 ALA 81 -0.201 15.893 7.582 607 HB3 ALA 81 HB3 ALA 81 0.102 14.417 6.664 608 H ALA 82 H ALA 82 0.474 14.851 3.631 609 HA ALA 82 HA ALA 82 3.033 13.590 3.468 610 HB1 ALA 82 HB1 ALA 82 0.886 13.830 1.363 611 HB2 ALA 82 HB2 ALA 82 2.242 12.702 1.353 612 HB3 ALA 82 HB3 ALA 82 0.986 12.556 2.581 613 H LEU 83 H LEU 83 4.799 14.203 2.391 614 HA LEU 83 HA LEU 83 5.034 16.931 1.614 615 HB2 LEU 83 HB2 LEU 83 6.962 14.620 1.475 616 HB3 LEU 83 HB3 LEU 83 7.380 16.240 0.957 617 HG LEU 83 HG LEU 83 6.789 16.993 3.327 618 HD11 LEU 83 HD11 LEU 83 5.556 14.995 4.011 619 HD12 LEU 83 HD12 LEU 83 7.025 14.032 3.846 620 HD13 LEU 83 HD13 LEU 83 6.934 15.299 5.069 621 HD21 LEU 83 HD21 LEU 83 8.982 16.321 4.185 622 HD22 LEU 83 HD22 LEU 83 9.121 15.139 2.881 623 HD23 LEU 83 HD23 LEU 83 9.065 16.861 2.507 624 H ASN 84 H ASN 84 5.067 13.868 -0.174 625 HA ASN 84 HA ASN 84 4.313 15.347 -2.563 626 HB2 ASN 84 HB2 ASN 84 6.047 14.651 -3.943 627 HB3 ASN 84 HB3 ASN 84 6.893 14.979 -2.438 628 HD21 ASN 84 HD21 ASN 84 5.918 12.583 -4.723 629 HD22 ASN 84 HD22 ASN 84 6.807 11.264 -4.021 630 H ALA 85 H ALA 85 4.716 12.274 -0.906 631 HA ALA 85 HA ALA 85 2.692 11.146 -2.709 632 HB1 ALA 85 HB1 ALA 85 4.885 10.080 -2.998 633 HB2 ALA 85 HB2 ALA 85 4.900 9.659 -1.285 634 HB3 ALA 85 HB3 ALA 85 3.692 8.951 -2.357 635 H VAL 86 H VAL 86 0.923 10.321 -1.818 636 HA VAL 86 HA VAL 86 0.854 9.746 1.059 637 HB VAL 86 HB VAL 86 -0.038 11.977 0.934 638 HG11 VAL 86 HG11 VAL 86 -1.871 10.970 -1.234 639 HG12 VAL 86 HG12 VAL 86 -1.936 12.571 -0.499 640 HG13 VAL 86 HG13 VAL 86 -0.523 12.088 -1.438 641 HG21 VAL 86 HG21 VAL 86 -2.283 9.974 1.134 642 HG22 VAL 86 HG22 VAL 86 -1.225 10.504 2.442 643 HG23 VAL 86 HG23 VAL 86 -2.353 11.641 1.705 644 H ARG 87 H ARG 87 -0.407 8.002 1.565 645 HA ARG 87 HA ARG 87 -1.297 6.419 -0.724 646 HB2 ARG 87 HB2 ARG 87 -1.422 5.448 2.106 647 HB3 ARG 87 HB3 ARG 87 -1.099 4.544 0.635 648 HG2 ARG 87 HG2 ARG 87 0.797 6.439 2.010 649 HG3 ARG 87 HG3 ARG 87 0.870 4.679 2.052 650 HD2 ARG 87 HD2 ARG 87 1.357 4.589 -0.294 651 HD3 ARG 87 HD3 ARG 87 1.083 6.324 -0.466 652 HE ARG 87 HE ARG 87 3.048 6.191 1.401 653 HH11 ARG 87 HH11 ARG 87 2.718 4.809 -1.807 654 HH12 ARG 87 HH12 ARG 87 4.426 4.834 -2.126 655 HH21 ARG 87 HH21 ARG 87 5.292 6.221 0.961 656 HH22 ARG 87 HH22 ARG 87 5.872 5.629 -0.566 657 H LEU 88 H LEU 88 -3.329 6.813 -1.347 658 HA LEU 88 HA LEU 88 -5.370 7.379 0.681 659 HB2 LEU 88 HB2 LEU 88 -5.332 7.724 -2.319 660 HB3 LEU 88 HB3 LEU 88 -6.793 7.894 -1.371 661 HG LEU 88 HG LEU 88 -5.880 10.072 -1.900 662 HD11 LEU 88 HD11 LEU 88 -7.002 9.826 0.244 663 HD12 LEU 88 HD12 LEU 88 -5.473 9.394 1.008 664 HD13 LEU 88 HD13 LEU 88 -5.701 11.013 0.346 665 HD21 LEU 88 HD21 LEU 88 -3.554 9.463 -2.199 666 HD22 LEU 88 HD22 LEU 88 -3.717 10.804 -1.065 667 HD23 LEU 88 HD23 LEU 88 -3.393 9.176 -0.467 668 H LEU 89 H LEU 89 -6.304 5.569 1.449 669 HA LEU 89 HA LEU 89 -6.736 3.325 -0.367 670 HB2 LEU 89 HB2 LEU 89 -5.989 3.111 2.095 671 HB3 LEU 89 HB3 LEU 89 -7.658 3.465 2.493 672 HG LEU 89 HG LEU 89 -7.097 1.044 2.497 673 HD11 LEU 89 HD11 LEU 89 -9.055 0.273 1.298 674 HD12 LEU 89 HD12 LEU 89 -9.403 1.742 2.208 675 HD13 LEU 89 HD13 LEU 89 -9.160 1.822 0.464 676 HD21 LEU 89 HD21 LEU 89 -6.831 -0.125 0.369 677 HD22 LEU 89 HD22 LEU 89 -6.777 1.429 -0.462 678 HD23 LEU 89 HD23 LEU 89 -5.506 0.997 0.681 679 H VAL 90 H VAL 90 -8.563 3.032 -1.406 680 HA VAL 90 HA VAL 90 -10.944 4.509 -0.551 681 HB VAL 90 HB VAL 90 -11.368 5.229 -2.907 682 HG11 VAL 90 HG11 VAL 90 -9.829 7.135 -2.865 683 HG12 VAL 90 HG12 VAL 90 -10.533 6.818 -1.281 684 HG13 VAL 90 HG13 VAL 90 -8.874 6.327 -1.619 685 HG21 VAL 90 HG21 VAL 90 -8.492 4.421 -3.328 686 HG22 VAL 90 HG22 VAL 90 -9.906 3.675 -4.069 687 HG23 VAL 90 HG23 VAL 90 -9.480 5.339 -4.470 688 H VAL 91 H VAL 91 -12.899 3.714 -1.359 689 HA VAL 91 HA VAL 91 -12.882 1.321 -3.000 690 HB VAL 91 HB VAL 91 -12.629 0.463 -0.694 691 HG11 VAL 91 HG11 VAL 91 -15.286 1.787 -0.180 692 HG12 VAL 91 HG12 VAL 91 -14.449 0.691 0.922 693 HG13 VAL 91 HG13 VAL 91 -13.733 2.252 0.521 694 HG21 VAL 91 HG21 VAL 91 -14.488 -1.126 -0.742 695 HG22 VAL 91 HG22 VAL 91 -15.323 -0.113 -1.919 696 HG23 VAL 91 HG23 VAL 91 -13.798 -0.887 -2.347 697 H ASP 92 H ASP 92 -14.756 1.085 -4.173 698 HA ASP 92 HA ASP 92 -16.590 3.219 -4.390 699 HB2 ASP 92 HB2 ASP 92 -17.032 0.348 -5.242 700 HB3 ASP 92 HB3 ASP 92 -17.880 1.764 -5.849 701 HA PRO 93 HA PRO 93 -19.220 2.608 -0.891 702 HB2 PRO 93 HB2 PRO 93 -21.409 3.322 -2.787 703 HB3 PRO 93 HB3 PRO 93 -21.023 4.003 -1.201 704 HG2 PRO 93 HG2 PRO 93 -20.425 5.331 -3.431 705 HG3 PRO 93 HG3 PRO 93 -19.324 5.340 -2.041 706 HD2 PRO 93 HD2 PRO 93 -19.108 3.858 -4.620 707 HD3 PRO 93 HD3 PRO 93 -17.831 4.566 -3.612 708 H GLU 94 H GLU 94 -20.407 1.370 -4.009 709 HA GLU 94 HA GLU 94 -22.123 -0.579 -2.833 710 HB2 GLU 94 HB2 GLU 94 -21.004 -0.538 -5.637 711 HB3 GLU 94 HB3 GLU 94 -22.418 -1.422 -5.082 712 HG2 GLU 94 HG2 GLU 94 -23.459 0.796 -4.532 713 HG3 GLU 94 HG3 GLU 94 -22.103 1.553 -5.370 714 H THR 95 H THR 95 -18.893 -0.665 -4.258 715 HA THR 95 HA THR 95 -18.473 -3.436 -4.084 716 HB THR 95 HB THR 95 -16.378 -1.259 -3.903 717 HG1 THR 95 HG1 THR 95 -16.365 -1.366 -6.178 718 HG21 THR 95 HG21 THR 95 -15.532 -3.505 -3.419 719 HG22 THR 95 HG22 THR 95 -16.230 -4.100 -4.926 720 HG23 THR 95 HG23 THR 95 -14.920 -2.920 -4.965 721 H ASP 96 H ASP 96 -18.056 -0.823 -1.797 722 HA ASP 96 HA ASP 96 -16.503 -2.078 0.153 723 HB2 ASP 96 HB2 ASP 96 -16.762 0.230 0.412 724 HB3 ASP 96 HB3 ASP 96 -18.506 0.158 0.188 725 H GLU 97 H GLU 97 -19.983 -2.102 -0.373 726 HA GLU 97 HA GLU 97 -20.731 -3.271 2.065 727 HB2 GLU 97 HB2 GLU 97 -22.080 -3.404 -0.635 728 HB3 GLU 97 HB3 GLU 97 -22.832 -3.871 0.885 729 HG2 GLU 97 HG2 GLU 97 -22.497 -1.562 1.708 730 HG3 GLU 97 HG3 GLU 97 -21.874 -1.123 0.119 731 H GLN 98 H GLN 98 -19.728 -4.673 -0.995 732 HA GLN 98 HA GLN 98 -20.191 -7.386 -0.244 733 HB2 GLN 98 HB2 GLN 98 -20.036 -6.670 -2.594 734 HB3 GLN 98 HB3 GLN 98 -18.355 -6.225 -2.349 735 HG2 GLN 98 HG2 GLN 98 -18.551 -8.354 -3.495 736 HG3 GLN 98 HG3 GLN 98 -17.778 -8.547 -1.923 737 HE21 GLN 98 HE21 GLN 98 -18.847 -9.646 -0.301 738 HE22 GLN 98 HE22 GLN 98 -20.240 -10.636 -0.604 739 H LEU 99 H LEU 99 -17.460 -5.181 -0.082 740 HA LEU 99 HA LEU 99 -15.501 -7.072 0.682 741 HB2 LEU 99 HB2 LEU 99 -15.545 -4.125 1.266 742 HB3 LEU 99 HB3 LEU 99 -14.140 -5.175 1.283 743 HG LEU 99 HG LEU 99 -15.651 -4.071 -1.040 744 HD11 LEU 99 HD11 LEU 99 -13.361 -3.712 -1.847 745 HD12 LEU 99 HD12 LEU 99 -13.669 -2.944 -0.289 746 HD13 LEU 99 HD13 LEU 99 -12.756 -4.451 -0.365 747 HD21 LEU 99 HD21 LEU 99 -14.563 -5.696 -2.525 748 HD22 LEU 99 HD22 LEU 99 -13.992 -6.588 -1.114 749 HD23 LEU 99 HD23 LEU 99 -15.721 -6.461 -1.437 750 H GLN 100 H GLN 100 -17.557 -4.874 2.529 751 HA GLN 100 HA GLN 100 -16.577 -5.499 5.094 752 HB2 GLN 100 HB2 GLN 100 -19.354 -4.585 4.309 753 HB3 GLN 100 HB3 GLN 100 -18.653 -4.488 5.920 754 HG2 GLN 100 HG2 GLN 100 -17.366 -3.147 3.571 755 HG3 GLN 100 HG3 GLN 100 -18.671 -2.380 4.469 756 HE21 GLN 100 HE21 GLN 100 -17.096 -0.732 4.876 757 HE22 GLN 100 HE22 GLN 100 -15.982 -0.914 6.189 758 H LYS 101 H LYS 101 -19.018 -6.994 3.058 759 HA LYS 101 HA LYS 101 -20.101 -8.817 4.865 760 HB2 LYS 101 HB2 LYS 101 -20.288 -8.244 2.134 761 HB3 LYS 101 HB3 LYS 101 -19.754 -9.916 2.207 762 HG2 LYS 101 HG2 LYS 101 -22.118 -8.878 3.725 763 HG3 LYS 101 HG3 LYS 101 -22.221 -9.550 2.101 764 HD2 LYS 101 HD2 LYS 101 -21.207 -10.975 4.560 765 HD3 LYS 101 HD3 LYS 101 -22.766 -11.240 3.777 766 HE2 LYS 101 HE2 LYS 101 -21.553 -11.923 1.721 767 HE3 LYS 101 HE3 LYS 101 -20.037 -11.769 2.605 768 HZ1 LYS 101 HZ1 LYS 101 -20.936 -13.442 4.194 769 HZ2 LYS 101 HZ2 LYS 101 -22.245 -13.678 3.143 770 HZ3 LYS 101 HZ3 LYS 101 -20.666 -14.045 2.630 771 H LEU 102 H LEU 102 -17.133 -8.874 2.983 772 HA LEU 102 HA LEU 102 -16.439 -11.571 3.629 773 HB2 LEU 102 HB2 LEU 102 -14.502 -9.389 2.878 774 HB3 LEU 102 HB3 LEU 102 -14.331 -11.116 2.631 775 HG LEU 102 HG LEU 102 -16.244 -9.294 1.171 776 HD11 LEU 102 HD11 LEU 102 -14.865 -9.865 -0.790 777 HD12 LEU 102 HD12 LEU 102 -13.976 -8.968 0.440 778 HD13 LEU 102 HD13 LEU 102 -13.740 -10.707 0.277 779 HD21 LEU 102 HD21 LEU 102 -15.763 -12.253 0.848 780 HD22 LEU 102 HD22 LEU 102 -17.223 -11.496 1.485 781 HD23 LEU 102 HD23 LEU 102 -16.768 -11.251 -0.200 782 H GLY 103 H GLY 103 -15.118 -8.443 4.641 783 HA2 GLY 103 HA2 GLY 103 -14.502 -7.624 6.675 784 HA3 GLY 103 HA3 GLY 103 -15.595 -8.811 7.357 785 H VAL 104 H VAL 104 -12.901 -9.988 5.512 786 HA VAL 104 HA VAL 104 -11.426 -10.440 8.000 787 HB VAL 104 HB VAL 104 -12.601 -12.497 7.639 788 HG11 VAL 104 HG11 VAL 104 -11.480 -12.482 4.843 789 HG12 VAL 104 HG12 VAL 104 -12.336 -13.834 5.584 790 HG13 VAL 104 HG13 VAL 104 -13.171 -12.304 5.305 791 HG21 VAL 104 HG21 VAL 104 -10.740 -14.074 7.399 792 HG22 VAL 104 HG22 VAL 104 -9.730 -12.773 6.766 793 HG23 VAL 104 HG23 VAL 104 -10.319 -12.706 8.428 794 H GLN 105 H GLN 105 -9.784 -9.077 7.621 795 HA GLN 105 HA GLN 105 -7.751 -8.392 6.901 796 HB2 GLN 105 HB2 GLN 105 -7.703 -11.073 5.501 797 HB3 GLN 105 HB3 GLN 105 -6.309 -10.035 5.772 798 HG2 GLN 105 HG2 GLN 105 -6.530 -10.300 8.160 799 HG3 GLN 105 HG3 GLN 105 -7.995 -11.256 7.943 800 HE21 GLN 105 HE21 GLN 105 -6.908 -12.641 5.600 801 HE22 GLN 105 HE22 GLN 105 -5.770 -13.788 6.216 802 H VAL 106 H VAL 106 -10.124 -7.786 5.290 803 HA VAL 106 HA VAL 106 -9.325 -8.048 2.530 804 HB VAL 106 HB VAL 106 -11.747 -6.727 3.762 805 HG11 VAL 106 HG11 VAL 106 -11.258 -5.735 1.588 806 HG12 VAL 106 HG12 VAL 106 -11.158 -7.340 0.866 807 HG13 VAL 106 HG13 VAL 106 -12.696 -6.753 1.499 808 HG21 VAL 106 HG21 VAL 106 -12.920 -8.718 2.923 809 HG22 VAL 106 HG22 VAL 106 -11.373 -9.381 2.390 810 HG23 VAL 106 HG23 VAL 106 -11.676 -9.122 4.109 811 H ARG 107 H ARG 107 -9.128 -5.600 4.986 812 HA ARG 107 HA ARG 107 -9.517 -3.348 3.342 813 HB2 ARG 107 HB2 ARG 107 -9.683 -3.404 5.832 814 HB3 ARG 107 HB3 ARG 107 -7.926 -3.453 5.900 815 HG2 ARG 107 HG2 ARG 107 -7.855 -1.301 4.696 816 HG3 ARG 107 HG3 ARG 107 -9.618 -1.244 4.758 817 HD2 ARG 107 HD2 ARG 107 -7.744 -1.315 7.117 818 HD3 ARG 107 HD3 ARG 107 -8.638 0.091 6.541 819 HE ARG 107 HE ARG 107 -10.450 -1.998 7.100 820 HH11 ARG 107 HH11 ARG 107 -8.348 0.315 8.701 821 HH12 ARG 107 HH12 ARG 107 -9.247 0.283 10.187 822 HH21 ARG 107 HH21 ARG 107 -11.637 -2.028 9.065 823 HH22 ARG 107 HH22 ARG 107 -11.102 -1.052 10.404 824 H GLU 108 H GLU 108 -6.475 -4.833 4.488 825 HA GLU 108 HA GLU 108 -5.182 -3.792 2.082 826 HB2 GLU 108 HB2 GLU 108 -4.820 -2.117 3.917 827 HB3 GLU 108 HB3 GLU 108 -3.976 -3.366 4.823 828 HG2 GLU 108 HG2 GLU 108 -2.421 -3.567 2.841 829 HG3 GLU 108 HG3 GLU 108 -3.170 -2.096 2.224 830 H GLU 109 H GLU 109 -5.322 -5.959 4.763 831 HA GLU 109 HA GLU 109 -2.940 -7.354 4.464 832 HB2 GLU 109 HB2 GLU 109 -5.581 -8.551 5.312 833 HB3 GLU 109 HB3 GLU 109 -3.976 -9.131 5.726 834 HG2 GLU 109 HG2 GLU 109 -4.624 -8.064 7.661 835 HG3 GLU 109 HG3 GLU 109 -3.692 -6.811 6.847 836 H LEU 110 H LEU 110 -5.980 -7.673 2.721 837 HA LEU 110 HA LEU 110 -5.077 -9.932 1.187 838 HB2 LEU 110 HB2 LEU 110 -7.472 -8.136 1.046 839 HB3 LEU 110 HB3 LEU 110 -7.100 -9.226 -0.276 840 HG LEU 110 HG LEU 110 -7.666 -10.013 2.578 841 HD11 LEU 110 HD11 LEU 110 -9.221 -10.465 0.038 842 HD12 LEU 110 HD12 LEU 110 -9.672 -11.018 1.652 843 HD13 LEU 110 HD13 LEU 110 -9.627 -9.292 1.291 844 HD21 LEU 110 HD21 LEU 110 -7.067 -11.749 0.182 845 HD22 LEU 110 HD22 LEU 110 -5.977 -11.471 1.540 846 HD23 LEU 110 HD23 LEU 110 -7.507 -12.314 1.794 847 H LEU 111 H LEU 111 -5.121 -6.454 0.810 848 HA LEU 111 HA LEU 111 -4.508 -6.381 -1.953 849 HB2 LEU 111 HB2 LEU 111 -5.430 -4.457 -0.745 850 HB3 LEU 111 HB3 LEU 111 -3.979 -4.366 0.236 851 HG LEU 111 HG LEU 111 -2.674 -3.842 -1.813 852 HD11 LEU 111 HD11 LEU 111 -4.113 -4.874 -3.467 853 HD12 LEU 111 HD12 LEU 111 -5.394 -3.719 -3.102 854 HD13 LEU 111 HD13 LEU 111 -3.886 -3.164 -3.830 855 HD21 LEU 111 HD21 LEU 111 -3.460 -2.070 -0.343 856 HD22 LEU 111 HD22 LEU 111 -3.487 -1.544 -2.027 857 HD23 LEU 111 HD23 LEU 111 -4.988 -2.002 -1.221 858 H ARG 112 H ARG 112 -2.673 -6.774 0.954 859 HA ARG 112 HA ARG 112 -0.249 -7.159 -0.673 860 HB2 ARG 112 HB2 ARG 112 -0.443 -6.138 2.166 861 HB3 ARG 112 HB3 ARG 112 1.056 -6.479 1.312 862 HG2 ARG 112 HG2 ARG 112 -0.982 -4.426 0.476 863 HG3 ARG 112 HG3 ARG 112 0.507 -4.083 1.363 864 HD2 ARG 112 HD2 ARG 112 0.358 -5.350 -1.370 865 HD3 ARG 112 HD3 ARG 112 0.724 -3.654 -1.055 866 HE ARG 112 HE ARG 112 2.700 -4.561 0.243 867 HH11 ARG 112 HH11 ARG 112 1.302 -6.297 -2.477 868 HH12 ARG 112 HH12 ARG 112 2.784 -7.113 -2.870 869 HH21 ARG 112 HH21 ARG 112 4.628 -5.613 -0.287 870 HH22 ARG 112 HH22 ARG 112 4.691 -6.693 -1.652 871 H ALA 113 H ALA 113 -2.027 -9.160 -0.373 872 HA ALA 113 HA ALA 113 -2.026 -10.864 1.729 873 HB1 ALA 113 HB1 ALA 113 -3.260 -11.222 -0.362 874 HB2 ALA 113 HB2 ALA 113 -1.759 -11.707 -1.153 875 HB3 ALA 113 HB3 ALA 113 -2.411 -12.675 0.171 876 H GLN 114 H GLN 114 -0.392 -11.398 2.966 877 HA GLN 114 HA GLN 114 2.007 -12.543 1.712 878 HB2 GLN 114 HB2 GLN 114 3.346 -11.587 3.560 879 HB3 GLN 114 HB3 GLN 114 2.589 -10.346 2.568 880 HG2 GLN 114 HG2 GLN 114 0.792 -10.157 4.264 881 HG3 GLN 114 HG3 GLN 114 1.672 -11.305 5.270 882 HE21 GLN 114 HE21 GLN 114 3.241 -8.901 3.301 883 HE22 GLN 114 HE22 GLN 114 3.828 -7.929 4.603 884 H GLU 115 H GLU 115 -0.611 -13.205 3.296 885 HA GLU 115 HA GLU 115 -1.419 -14.859 4.574 886 HB2 GLU 115 HB2 GLU 115 1.281 -16.024 3.979 887 HB3 GLU 115 HB3 GLU 115 0.117 -16.858 5.002 888 HG2 GLU 115 HG2 GLU 115 -0.191 -16.088 2.115 889 HG3 GLU 115 HG3 GLU 115 -0.120 -17.712 2.802 890 H ALA 116 H ALA 116 -1.924 -14.610 6.586 891 HA ALA 116 HA ALA 116 -0.005 -13.615 8.502 892 HB1 ALA 116 HB1 ALA 116 -1.906 -13.445 10.015 893 HB2 ALA 116 HB2 ALA 116 -2.289 -12.717 8.454 894 HB3 ALA 116 HB3 ALA 116 -2.919 -14.313 8.862 895 HA PRO 117 HA PRO 117 1.149 -17.789 9.708 896 HB2 PRO 117 HB2 PRO 117 2.440 -16.282 11.907 897 HB3 PRO 117 HB3 PRO 117 3.145 -17.435 10.769 898 HG2 PRO 117 HG2 PRO 117 3.616 -14.805 10.572 899 HG3 PRO 117 HG3 PRO 117 3.459 -15.833 9.134 900 HD2 PRO 117 HD2 PRO 117 1.497 -13.917 10.324 901 HD3 PRO 117 HD3 PRO 117 1.831 -14.283 8.620 902 H GLY 118 H GLY 118 -0.381 -18.967 10.685 903 HA2 GLY 118 HA2 GLY 118 -0.924 -18.564 13.480 904 HA3 GLY 118 HA3 GLY 118 -2.299 -18.171 12.457 905 H GLN 119 H GLN 119 -3.364 -19.888 13.610 906 HA GLN 119 HA GLN 119 -3.371 -22.337 12.187 907 HB2 GLN 119 HB2 GLN 119 -1.314 -22.630 13.613 908 HB3 GLN 119 HB3 GLN 119 -2.351 -22.536 15.028 909 HG2 GLN 119 HG2 GLN 119 -1.816 -24.836 14.476 910 HG3 GLN 119 HG3 GLN 119 -3.544 -24.529 14.306 911 HE21 GLN 119 HE21 GLN 119 -1.204 -23.439 11.961 912 HE22 GLN 119 HE22 GLN 119 -1.666 -24.528 10.700 913 H ALA 120 H ALA 120 -4.624 -20.096 14.266 914 HA ALA 120 HA ALA 120 -6.548 -19.811 15.405 915 HB1 ALA 120 HB1 ALA 120 -7.496 -22.142 13.742 916 HB2 ALA 120 HB2 ALA 120 -8.525 -21.030 14.646 917 HB3 ALA 120 HB3 ALA 120 -7.569 -20.440 13.286 918 H1 GLN 1 HT1 GLN 1 -17.226 25.817 2.500 919 H2 GLN 1 HT2 GLN 1 -17.289 24.730 1.199 920 H3 GLN 1 HT3 GLN 1 -15.792 25.161 1.877 921 HA GLN 1 HA GLN 1 -16.339 24.095 3.930 922 HB2 GLN 1 HB2 GLN 1 -18.388 22.848 4.221 923 HB3 GLN 1 HB3 GLN 1 -18.783 24.510 3.793 924 HG2 GLN 1 HG2 GLN 1 -19.025 23.680 1.411 925 HG3 GLN 1 HG3 GLN 1 -18.969 22.051 2.084 926 HE21 GLN 1 HE21 GLN 1 -20.652 21.368 3.466 927 HE22 GLN 1 HE22 GLN 1 -22.200 22.157 3.431 928 H ASP 2 H ASP 2 -16.607 23.262 0.583 929 HA ASP 2 HA ASP 2 -15.581 20.587 0.993 930 HB2 ASP 2 HB2 ASP 2 -15.587 20.362 -1.381 931 HB3 ASP 2 HB3 ASP 2 -17.044 21.265 -0.987 932 H THR 3 H THR 3 -13.429 19.967 0.696 933 HA THR 3 HA THR 3 -11.555 22.234 0.662 934 HB THR 3 HB THR 3 -10.964 19.547 1.898 935 HG1 THR 3 HG1 THR 3 -12.228 21.841 3.043 936 HG21 THR 3 HG21 THR 3 -9.827 22.319 2.278 937 HG22 THR 3 HG22 THR 3 -9.340 20.891 3.189 938 HG23 THR 3 HG23 THR 3 -9.044 20.974 1.451 939 H ARG 4 H ARG 4 -10.463 22.375 -1.182 940 HA ARG 4 HA ARG 4 -9.974 20.059 -2.841 941 HB2 ARG 4 HB2 ARG 4 -10.391 22.303 -3.834 942 HB3 ARG 4 HB3 ARG 4 -8.889 22.870 -3.115 943 HG2 ARG 4 HG2 ARG 4 -7.708 21.072 -4.408 944 HG3 ARG 4 HG3 ARG 4 -9.228 20.788 -5.256 945 HD2 ARG 4 HD2 ARG 4 -7.919 22.237 -6.614 946 HD3 ARG 4 HD3 ARG 4 -9.210 23.209 -5.907 947 HE ARG 4 HE ARG 4 -6.954 23.360 -4.240 948 HH11 ARG 4 HH11 ARG 4 -7.919 24.340 -7.463 949 HH12 ARG 4 HH12 ARG 4 -6.959 25.785 -7.449 950 HH21 ARG 4 HH21 ARG 4 -5.667 25.233 -4.232 951 HH22 ARG 4 HH22 ARG 4 -5.663 26.298 -5.606 952 H LEU 5 H LEU 5 -8.240 18.810 -2.764 953 HA LEU 5 HA LEU 5 -6.083 19.465 -0.951 954 HB2 LEU 5 HB2 LEU 5 -6.780 17.045 -2.594 955 HB3 LEU 5 HB3 LEU 5 -5.198 17.208 -1.862 956 HG LEU 5 HG LEU 5 -6.577 15.833 -0.460 957 HD11 LEU 5 HD11 LEU 5 -5.015 17.267 0.675 958 HD12 LEU 5 HD12 LEU 5 -6.199 18.573 0.717 959 HD13 LEU 5 HD13 LEU 5 -6.482 17.096 1.639 960 HD21 LEU 5 HD21 LEU 5 -8.770 16.593 -1.184 961 HD22 LEU 5 HD22 LEU 5 -8.635 16.665 0.573 962 HD23 LEU 5 HD23 LEU 5 -8.513 18.143 -0.382 Start of MODEL 4 1 H1 GLY 4 HT1 GLY 4 -21.992 -22.665 3.406 2 H2 GLY 4 HT2 GLY 4 -21.212 -21.801 4.640 3 H3 GLY 4 HT3 GLY 4 -20.298 -22.611 3.466 4 HA2 GLY 4 HA3 GLY 4 -21.101 -21.135 1.751 5 HA3 GLY 4 HA2 GLY 4 -22.101 -20.315 2.944 6 H ILE 5 H ILE 5 -19.616 -19.650 1.187 7 HA ILE 5 HA ILE 5 -18.227 -18.208 3.338 8 HB ILE 5 HB ILE 5 -16.075 -18.491 2.103 9 HG12 ILE 5 HG12 ILE 5 -16.135 -20.727 0.677 10 HG13 ILE 5 HG13 ILE 5 -17.798 -20.229 0.396 11 HG21 ILE 5 HG21 ILE 5 -16.503 -19.797 4.082 12 HG22 ILE 5 HG22 ILE 5 -17.363 -21.010 3.133 13 HG23 ILE 5 HG23 ILE 5 -15.629 -20.775 2.902 14 HD11 ILE 5 HD11 ILE 5 -16.360 -19.476 -1.393 15 HD12 ILE 5 HD12 ILE 5 -16.993 -18.095 -0.495 16 HD13 ILE 5 HD13 ILE 5 -15.332 -18.627 -0.238 17 H ASP 6 H ASP 6 -16.709 -16.507 2.236 18 HA ASP 6 HA ASP 6 -18.143 -15.285 -0.018 19 HB2 ASP 6 HB2 ASP 6 -16.976 -13.881 2.394 20 HB3 ASP 6 HB3 ASP 6 -17.606 -13.068 0.968 21 HA PRO 7 HA PRO 7 -14.069 -15.814 -1.784 22 HB2 PRO 7 HB2 PRO 7 -15.279 -14.228 -3.964 23 HB3 PRO 7 HB3 PRO 7 -14.529 -15.827 -4.018 24 HG2 PRO 7 HG2 PRO 7 -17.163 -15.556 -4.233 25 HG3 PRO 7 HG3 PRO 7 -16.453 -16.897 -3.316 26 HD2 PRO 7 HD2 PRO 7 -17.661 -14.346 -2.308 27 HD3 PRO 7 HD3 PRO 7 -17.856 -16.002 -1.691 28 H PHE 8 H PHE 8 -12.447 -14.456 -2.801 29 HA PHE 8 HA PHE 8 -12.242 -11.908 -1.427 30 HB2 PHE 8 HB2 PHE 8 -10.300 -13.425 -3.185 31 HB3 PHE 8 HB3 PHE 8 -9.940 -11.865 -2.458 32 HD1 PHE 8 HD2 PHE 8 -11.933 -13.549 -0.158 33 HD2 PHE 8 HD1 PHE 8 -7.993 -13.559 -1.766 34 HE1 PHE 8 HE2 PHE 8 -11.115 -14.691 1.860 35 HE2 PHE 8 HE1 PHE 8 -7.169 -14.698 0.250 36 HZ PHE 8 HZ PHE 8 -8.729 -15.266 2.065 37 H THR 9 H THR 9 -14.102 -11.121 -2.690 38 HA THR 9 HA THR 9 -13.589 -10.518 -5.477 39 HB THR 9 HB THR 9 -15.814 -11.281 -4.898 40 HG1 THR 9 HG1 THR 9 -15.789 -9.800 -6.589 41 HG21 THR 9 HG21 THR 9 -17.313 -9.874 -3.507 42 HG22 THR 9 HG22 THR 9 -15.971 -10.580 -2.604 43 HG23 THR 9 HG23 THR 9 -15.921 -8.879 -3.077 44 H MET 10 H MET 10 -14.189 -8.266 -6.214 45 HA MET 10 HA MET 10 -13.813 -6.051 -6.337 46 HB2 MET 10 HB2 MET 10 -15.018 -6.052 -4.084 47 HB3 MET 10 HB3 MET 10 -13.423 -5.952 -3.351 48 HG2 MET 10 HG2 MET 10 -14.371 -3.968 -5.392 49 HG3 MET 10 HG3 MET 10 -14.708 -3.789 -3.675 50 HE1 MET 10 HE1 MET 10 -13.561 -1.376 -3.821 51 HE2 MET 10 HE2 MET 10 -11.919 -1.113 -4.409 52 HE3 MET 10 HE3 MET 10 -13.182 -1.636 -5.524 53 H LEU 11 H LEU 11 -11.721 -6.882 -3.573 54 HA LEU 11 HA LEU 11 -9.496 -6.585 -3.219 55 HB2 LEU 11 HB2 LEU 11 -9.216 -7.028 -6.196 56 HB3 LEU 11 HB3 LEU 11 -7.967 -7.232 -4.981 57 HG LEU 11 HG LEU 11 -10.455 -8.922 -5.248 58 HD11 LEU 11 HD11 LEU 11 -8.910 -10.692 -5.904 59 HD12 LEU 11 HD12 LEU 11 -8.842 -9.331 -7.024 60 HD13 LEU 11 HD13 LEU 11 -7.564 -9.553 -5.826 61 HD21 LEU 11 HD21 LEU 11 -8.118 -9.149 -3.355 62 HD22 LEU 11 HD22 LEU 11 -9.769 -8.701 -2.926 63 HD23 LEU 11 HD23 LEU 11 -9.422 -10.324 -3.525 64 HA PRO 12 HA PRO 12 -9.994 -2.204 -4.183 65 HB2 PRO 12 HB2 PRO 12 -8.519 -1.297 -2.071 66 HB3 PRO 12 HB3 PRO 12 -10.211 -1.786 -1.952 67 HG2 PRO 12 HG2 PRO 12 -7.741 -3.333 -1.276 68 HG3 PRO 12 HG3 PRO 12 -9.269 -3.209 -0.381 69 HD2 PRO 12 HD2 PRO 12 -8.695 -5.341 -1.915 70 HD3 PRO 12 HD3 PRO 12 -10.350 -4.714 -1.763 71 H ARG 13 H ARG 13 -8.459 -0.309 -4.244 72 HA ARG 13 HA ARG 13 -5.914 -1.161 -5.441 73 HB2 ARG 13 HB2 ARG 13 -6.153 0.792 -6.963 74 HB3 ARG 13 HB3 ARG 13 -7.420 -0.409 -7.177 75 HG2 ARG 13 HG2 ARG 13 -8.855 1.026 -5.666 76 HG3 ARG 13 HG3 ARG 13 -7.619 2.273 -5.836 77 HD2 ARG 13 HD2 ARG 13 -7.924 2.226 -8.273 78 HD3 ARG 13 HD3 ARG 13 -9.163 0.985 -8.084 79 HE ARG 13 HE ARG 13 -9.418 3.824 -7.511 80 HH11 ARG 13 HH11 ARG 13 -10.803 0.612 -7.235 81 HH12 ARG 13 HH12 ARG 13 -12.405 1.195 -6.880 82 HH21 ARG 13 HH21 ARG 13 -11.542 4.587 -7.053 83 HH22 ARG 13 HH22 ARG 13 -12.817 3.444 -6.782 84 H LEU 14 H LEU 14 -4.111 -0.201 -4.707 85 HA LEU 14 HA LEU 14 -4.405 1.752 -2.560 86 HB2 LEU 14 HB2 LEU 14 -2.935 -0.216 -2.244 87 HB3 LEU 14 HB3 LEU 14 -1.944 0.329 -3.583 88 HG LEU 14 HG LEU 14 -1.383 2.376 -2.300 89 HD11 LEU 14 HD11 LEU 14 -1.900 2.440 0.098 90 HD12 LEU 14 HD12 LEU 14 -3.356 2.503 -0.893 91 HD13 LEU 14 HD13 LEU 14 -2.903 1.000 -0.088 92 HD21 LEU 14 HD21 LEU 14 0.116 1.280 -0.721 93 HD22 LEU 14 HD22 LEU 14 -0.789 -0.225 -0.896 94 HD23 LEU 14 HD23 LEU 14 0.095 0.440 -2.271 95 H CYS 15 H CYS 15 -4.598 3.783 -3.250 96 HA CYS 15 HA CYS 15 -3.288 4.558 -5.739 97 HB2 CYS 15 HB2 CYS 15 -5.369 5.995 -4.080 98 HB3 CYS 15 HB3 CYS 15 -4.769 6.522 -5.651 99 HG CYS 15 HG CYS 15 -5.847 4.443 -7.084 100 H CYS 16 H CYS 16 -1.266 5.253 -5.459 101 HA CYS 16 HA CYS 16 -0.584 6.885 -3.152 102 HB2 CYS 16 HB2 CYS 16 1.104 5.921 -5.473 103 HB3 CYS 16 HB3 CYS 16 1.712 6.821 -4.090 104 HG CYS 16 HG CYS 16 1.018 3.554 -4.363 105 H LEU 17 H LEU 17 -1.222 8.928 -3.265 106 HA LEU 17 HA LEU 17 -1.414 10.243 -5.854 107 HB2 LEU 17 HB2 LEU 17 -2.435 10.856 -3.106 108 HB3 LEU 17 HB3 LEU 17 -2.276 12.160 -4.270 109 HG LEU 17 HG LEU 17 -3.751 10.836 -5.824 110 HD11 LEU 17 HD11 LEU 17 -4.256 9.189 -3.354 111 HD12 LEU 17 HD12 LEU 17 -5.111 9.068 -4.891 112 HD13 LEU 17 HD13 LEU 17 -3.405 8.637 -4.797 113 HD21 LEU 17 HD21 LEU 17 -4.889 11.621 -3.147 114 HD22 LEU 17 HD22 LEU 17 -4.604 12.699 -4.514 115 HD23 LEU 17 HD23 LEU 17 -5.807 11.416 -4.637 116 H GLU 18 H GLU 18 -0.225 11.933 -6.513 117 HA GLU 18 HA GLU 18 2.216 12.511 -5.011 118 HB2 GLU 18 HB2 GLU 18 1.478 13.366 -7.816 119 HB3 GLU 18 HB3 GLU 18 3.071 13.417 -7.076 120 HG2 GLU 18 HG2 GLU 18 1.566 10.872 -7.584 121 HG3 GLU 18 HG3 GLU 18 2.696 11.586 -8.733 122 H LYS 19 H LYS 19 2.614 14.498 -4.147 123 HA LYS 19 HA LYS 19 0.526 16.441 -4.017 124 HB2 LYS 19 HB2 LYS 19 2.070 16.221 -2.157 125 HB3 LYS 19 HB3 LYS 19 3.435 16.594 -3.200 126 HG2 LYS 19 HG2 LYS 19 2.879 18.517 -1.854 127 HG3 LYS 19 HG3 LYS 19 2.532 18.854 -3.550 128 HD2 LYS 19 HD2 LYS 19 0.738 19.710 -2.200 129 HD3 LYS 19 HD3 LYS 19 0.149 18.326 -3.118 130 HE2 LYS 19 HE2 LYS 19 -0.685 18.200 -0.872 131 HE3 LYS 19 HE3 LYS 19 0.488 16.908 -1.127 132 HZ1 LYS 19 HZ1 LYS 19 0.953 17.850 0.973 133 HZ2 LYS 19 HZ2 LYS 19 2.161 18.435 -0.060 134 HZ3 LYS 19 HZ3 LYS 19 0.868 19.436 0.380 135 H GLY 20 H GLY 20 -0.025 17.693 -5.632 136 HA2 GLY 20 HA2 GLY 20 1.952 18.439 -7.657 137 HA3 GLY 20 HA3 GLY 20 0.212 18.670 -7.764 138 HA PRO 21 HA PRO 21 2.104 22.825 -6.908 139 HB2 PRO 21 HB2 PRO 21 0.141 24.131 -8.343 140 HB3 PRO 21 HB3 PRO 21 1.693 23.612 -9.009 141 HG2 PRO 21 HG2 PRO 21 -0.985 22.299 -9.192 142 HG3 PRO 21 HG3 PRO 21 0.282 22.446 -10.424 143 HD2 PRO 21 HD2 PRO 21 -0.119 20.160 -9.056 144 HD3 PRO 21 HD3 PRO 21 1.503 20.682 -9.557 145 H ASN 22 H ASN 22 -1.328 21.924 -7.038 146 HA ASN 22 HA ASN 22 -1.738 23.346 -4.495 147 HB2 ASN 22 HB2 ASN 22 -3.590 23.277 -6.887 148 HB3 ASN 22 HB3 ASN 22 -4.068 23.855 -5.296 149 HD21 ASN 22 HD21 ASN 22 -3.992 25.253 -7.845 150 HD22 ASN 22 HD22 ASN 22 -2.955 26.623 -7.604 151 H GLY 23 H GLY 23 -1.153 20.887 -4.008 152 HA2 GLY 23 HA2 GLY 23 -2.201 19.334 -2.585 153 HA3 GLY 23 HA3 GLY 23 -3.750 19.762 -3.293 154 H TYR 24 H TYR 24 -4.627 18.126 -4.344 155 HA TYR 24 HA TYR 24 -2.846 16.319 -5.845 156 HB2 TYR 24 HB2 TYR 24 -5.152 15.431 -4.100 157 HB3 TYR 24 HB3 TYR 24 -4.098 14.385 -5.049 158 HD1 TYR 24 HD2 TYR 24 -1.679 14.207 -4.436 159 HD2 TYR 24 HD1 TYR 24 -4.498 16.191 -1.949 160 HE1 TYR 24 HE2 TYR 24 -0.102 14.075 -2.559 161 HE2 TYR 24 HE1 TYR 24 -2.927 16.071 -0.062 162 HH TYR 24 HH TYR 24 -1.001 14.765 0.665 163 H GLY 25 H GLY 25 -6.025 17.773 -5.505 164 HA2 GLY 25 HA2 GLY 25 -6.876 18.761 -7.550 165 HA3 GLY 25 HA3 GLY 25 -6.299 17.349 -8.415 166 H PHE 26 H PHE 26 -7.997 16.972 -5.348 167 HA PHE 26 HA PHE 26 -10.448 16.401 -6.874 168 HB2 PHE 26 HB2 PHE 26 -10.886 14.373 -5.587 169 HB3 PHE 26 HB3 PHE 26 -9.376 14.233 -6.477 170 HD1 PHE 26 HD1 PHE 26 -7.204 14.618 -5.187 171 HD2 PHE 26 HD2 PHE 26 -10.971 13.988 -3.305 172 HE1 PHE 26 HE1 PHE 26 -6.057 13.947 -3.120 173 HE2 PHE 26 HE2 PHE 26 -9.823 13.325 -1.233 174 HZ PHE 26 HZ PHE 26 -7.362 13.297 -1.141 175 H HIS 27 H HIS 27 -12.382 16.329 -5.513 176 HA HIS 27 HA HIS 27 -12.124 18.282 -3.332 177 HB2 HIS 27 HB2 HIS 27 -14.426 17.493 -5.111 178 HB3 HIS 27 HB3 HIS 27 -14.682 18.396 -3.624 179 HD1 HIS 27 HD1 HIS 27 -14.536 20.860 -3.803 180 HD2 HIS 27 HD2 HIS 27 -12.718 18.935 -7.017 181 HE1 HIS 27 HE1 HIS 27 -13.882 22.685 -5.412 182 HE2 HIS 27 HE2 HIS 27 -12.973 21.477 -7.432 183 H LEU 28 H LEU 28 -12.102 17.473 -1.367 184 HA LEU 28 HA LEU 28 -13.471 14.921 -0.856 185 HB2 LEU 28 HB2 LEU 28 -10.988 15.279 -0.324 186 HB3 LEU 28 HB3 LEU 28 -11.516 16.361 0.944 187 HG LEU 28 HG LEU 28 -10.898 14.070 1.715 188 HD11 LEU 28 HD11 LEU 28 -12.368 15.480 3.056 189 HD12 LEU 28 HD12 LEU 28 -13.769 14.831 2.205 190 HD13 LEU 28 HD13 LEU 28 -12.782 13.774 3.212 191 HD21 LEU 28 HD21 LEU 28 -13.389 13.261 0.228 192 HD22 LEU 28 HD22 LEU 28 -11.736 12.805 -0.183 193 HD23 LEU 28 HD23 LEU 28 -12.460 12.237 1.323 194 H HIS 29 H HIS 29 -15.419 15.069 0.091 195 HA HIS 29 HA HIS 29 -15.920 17.467 1.713 196 HB2 HIS 29 HB2 HIS 29 -18.272 17.358 1.178 197 HB3 HIS 29 HB3 HIS 29 -17.343 17.387 -0.311 198 HD1 HIS 29 HD1 HIS 29 -19.981 15.548 1.415 199 HD2 HIS 29 HD2 HIS 29 -17.240 14.769 -1.622 200 HE1 HIS 29 HE1 HIS 29 -20.858 13.527 0.208 201 HE2 HIS 29 HE2 HIS 29 -19.234 13.111 -1.675 202 H GLY 30 H GLY 30 -16.337 17.235 3.747 203 HA2 GLY 30 HA2 GLY 30 -16.969 14.529 4.748 204 HA3 GLY 30 HA3 GLY 30 -15.906 15.646 5.600 205 H GLU 31 H GLU 31 -18.731 14.349 5.991 206 HA GLU 31 HA GLU 31 -20.081 16.845 6.762 207 HB2 GLU 31 HB2 GLU 31 -21.338 14.443 5.429 208 HB3 GLU 31 HB3 GLU 31 -22.217 15.843 6.031 209 HG2 GLU 31 HG2 GLU 31 -21.056 17.277 4.450 210 HG3 GLU 31 HG3 GLU 31 -20.121 15.899 3.871 211 H LYS 32 H LYS 32 -21.712 16.602 8.404 212 HA LYS 32 HA LYS 32 -22.657 15.811 10.298 213 HB2 LYS 32 HB2 LYS 32 -21.389 13.176 9.542 214 HB3 LYS 32 HB3 LYS 32 -22.501 13.402 10.886 215 HG2 LYS 32 HG2 LYS 32 -24.204 14.200 9.254 216 HG3 LYS 32 HG3 LYS 32 -23.090 13.768 7.956 217 HD2 LYS 32 HD2 LYS 32 -24.707 11.992 8.303 218 HD3 LYS 32 HD3 LYS 32 -23.092 11.442 8.759 219 HE2 LYS 32 HE2 LYS 32 -24.773 10.721 10.378 220 HE3 LYS 32 HE3 LYS 32 -23.612 11.830 11.106 221 HZ1 LYS 32 HZ1 LYS 32 -26.287 12.642 10.099 222 HZ2 LYS 32 HZ2 LYS 32 -25.953 12.279 11.721 223 HZ3 LYS 32 HZ3 LYS 32 -25.195 13.600 10.975 224 H GLY 33 H GLY 33 -19.273 15.454 9.734 225 HA2 GLY 33 HA2 GLY 33 -18.095 16.818 11.546 226 HA3 GLY 33 HA3 GLY 33 -18.788 15.626 12.634 227 H LYS 34 H LYS 34 -18.266 13.323 12.100 228 HA LYS 34 HA LYS 34 -15.427 13.143 11.337 229 HB2 LYS 34 HB2 LYS 34 -17.039 11.339 13.151 230 HB3 LYS 34 HB3 LYS 34 -15.339 11.137 12.763 231 HG2 LYS 34 HG2 LYS 34 -14.868 13.302 13.852 232 HG3 LYS 34 HG3 LYS 34 -16.572 13.405 14.309 233 HD2 LYS 34 HD2 LYS 34 -16.379 11.359 15.601 234 HD3 LYS 34 HD3 LYS 34 -14.702 11.167 15.090 235 HE2 LYS 34 HE2 LYS 34 -14.776 12.062 17.332 236 HE3 LYS 34 HE3 LYS 34 -14.135 13.275 16.226 237 HZ1 LYS 34 HZ1 LYS 34 -15.836 14.035 17.916 238 HZ2 LYS 34 HZ2 LYS 34 -16.117 14.493 16.310 239 HZ3 LYS 34 HZ3 LYS 34 -16.995 13.211 16.994 240 H LEU 35 H LEU 35 -18.448 11.271 11.365 241 HA LEU 35 HA LEU 35 -17.352 9.391 9.480 242 HB2 LEU 35 HB2 LEU 35 -20.164 9.598 10.537 243 HB3 LEU 35 HB3 LEU 35 -19.475 8.240 9.669 244 HG LEU 35 HG LEU 35 -18.639 9.184 12.415 245 HD11 LEU 35 HD11 LEU 35 -20.176 6.755 11.513 246 HD12 LEU 35 HD12 LEU 35 -19.640 7.080 13.163 247 HD13 LEU 35 HD13 LEU 35 -20.830 8.133 12.396 248 HD21 LEU 35 HD21 LEU 35 -17.733 6.793 10.811 249 HD22 LEU 35 HD22 LEU 35 -16.766 8.225 11.167 250 HD23 LEU 35 HD23 LEU 35 -17.278 7.159 12.477 251 H GLY 36 H GLY 36 -17.273 9.822 7.404 252 HA2 GLY 36 HA2 GLY 36 -18.969 9.840 5.503 253 HA3 GLY 36 HA3 GLY 36 -19.482 11.363 6.209 254 H GLN 37 H GLN 37 -16.450 9.817 5.101 255 HA GLN 37 HA GLN 37 -15.725 12.385 3.854 256 HB2 GLN 37 HB2 GLN 37 -13.905 9.993 4.152 257 HB3 GLN 37 HB3 GLN 37 -13.456 11.660 3.832 258 HG2 GLN 37 HG2 GLN 37 -14.561 10.581 6.412 259 HG3 GLN 37 HG3 GLN 37 -12.882 11.001 6.089 260 HE21 GLN 37 HE21 GLN 37 -14.701 11.982 8.111 261 HE22 GLN 37 HE22 GLN 37 -14.787 13.695 7.894 262 H TYR 38 H TYR 38 -16.195 12.522 1.730 263 HA TYR 38 HA TYR 38 -15.914 10.116 0.058 264 HB2 TYR 38 HB2 TYR 38 -18.306 11.973 -0.029 265 HB3 TYR 38 HB3 TYR 38 -18.024 10.602 -1.094 266 HD1 TYR 38 HD1 TYR 38 -18.049 8.284 -0.120 267 HD2 TYR 38 HD2 TYR 38 -19.344 11.690 2.073 268 HE1 TYR 38 HE1 TYR 38 -19.248 6.816 1.445 269 HE2 TYR 38 HE2 TYR 38 -20.543 10.231 3.647 270 HH TYR 38 HH TYR 38 -21.537 7.935 3.632 271 H ILE 39 H ILE 39 -15.614 10.555 -2.195 272 HA ILE 39 HA ILE 39 -14.294 13.097 -2.687 273 HB ILE 39 HB ILE 39 -14.740 10.900 -4.702 274 HG12 ILE 39 HG12 ILE 39 -13.668 9.923 -2.704 275 HG13 ILE 39 HG13 ILE 39 -12.570 9.959 -4.079 276 HG21 ILE 39 HG21 ILE 39 -14.000 13.024 -5.606 277 HG22 ILE 39 HG22 ILE 39 -12.651 13.063 -4.469 278 HG23 ILE 39 HG23 ILE 39 -12.710 11.827 -5.727 279 HD11 ILE 39 HD11 ILE 39 -12.583 11.886 -1.773 280 HD12 ILE 39 HD12 ILE 39 -11.446 10.561 -2.023 281 HD13 ILE 39 HD13 ILE 39 -11.477 11.922 -3.146 282 H ARG 40 H ARG 40 -15.208 14.771 -3.679 283 HA ARG 40 HA ARG 40 -17.953 14.537 -4.632 284 HB2 ARG 40 HB2 ARG 40 -17.428 16.391 -3.148 285 HB3 ARG 40 HB3 ARG 40 -16.152 16.933 -4.229 286 HG2 ARG 40 HG2 ARG 40 -17.998 18.366 -4.568 287 HG3 ARG 40 HG3 ARG 40 -17.914 17.304 -5.971 288 HD2 ARG 40 HD2 ARG 40 -20.201 17.460 -5.341 289 HD3 ARG 40 HD3 ARG 40 -19.633 15.857 -4.866 290 HE ARG 40 HE ARG 40 -19.326 17.603 -2.693 291 HH11 ARG 40 HH11 ARG 40 -21.881 16.133 -4.572 292 HH12 ARG 40 HH12 ARG 40 -23.014 16.099 -3.254 293 HH21 ARG 40 HH21 ARG 40 -20.819 17.575 -0.945 294 HH22 ARG 40 HH22 ARG 40 -22.411 16.918 -1.195 295 H LEU 41 H LEU 41 -14.781 15.577 -5.866 296 HA LEU 41 HA LEU 41 -15.512 14.853 -8.551 297 HB2 LEU 41 HB2 LEU 41 -16.580 17.059 -8.353 298 HB3 LEU 41 HB3 LEU 41 -15.044 17.761 -7.883 299 HG LEU 41 HG LEU 41 -14.126 17.193 -10.110 300 HD11 LEU 41 HD11 LEU 41 -16.954 16.355 -10.724 301 HD12 LEU 41 HD12 LEU 41 -15.641 16.500 -11.891 302 HD13 LEU 41 HD13 LEU 41 -15.555 15.287 -10.615 303 HD21 LEU 41 HD21 LEU 41 -15.037 19.407 -9.708 304 HD22 LEU 41 HD22 LEU 41 -15.387 18.891 -11.356 305 HD23 LEU 41 HD23 LEU 41 -16.653 18.838 -10.129 306 H VAL 42 H VAL 42 -13.737 14.562 -9.851 307 HA VAL 42 HA VAL 42 -11.115 15.310 -8.731 308 HB VAL 42 HB VAL 42 -11.719 12.839 -10.375 309 HG11 VAL 42 HG11 VAL 42 -9.194 13.763 -9.012 310 HG12 VAL 42 HG12 VAL 42 -9.419 12.187 -9.769 311 HG13 VAL 42 HG13 VAL 42 -9.475 13.651 -10.748 312 HG21 VAL 42 HG21 VAL 42 -12.673 12.639 -8.146 313 HG22 VAL 42 HG22 VAL 42 -11.278 11.573 -8.324 314 HG23 VAL 42 HG23 VAL 42 -11.124 13.085 -7.428 315 H GLU 43 H GLU 43 -9.900 16.547 -10.045 316 HA GLU 43 HA GLU 43 -11.051 17.357 -12.555 317 HB2 GLU 43 HB2 GLU 43 -9.967 18.861 -10.777 318 HB3 GLU 43 HB3 GLU 43 -8.428 18.279 -11.398 319 HG2 GLU 43 HG2 GLU 43 -8.969 19.147 -13.594 320 HG3 GLU 43 HG3 GLU 43 -10.535 19.687 -12.996 321 HA PRO 44 HA PRO 44 -9.076 14.543 -15.275 322 HB2 PRO 44 HB2 PRO 44 -8.215 16.458 -17.180 323 HB3 PRO 44 HB3 PRO 44 -9.701 15.505 -17.214 324 HG2 PRO 44 HG2 PRO 44 -9.253 18.293 -16.280 325 HG3 PRO 44 HG3 PRO 44 -10.684 17.570 -17.041 326 HD2 PRO 44 HD2 PRO 44 -10.655 18.119 -14.433 327 HD3 PRO 44 HD3 PRO 44 -11.429 16.640 -15.039 328 H GLY 45 H GLY 45 -7.211 17.592 -14.971 329 HA2 GLY 45 HA2 GLY 45 -4.741 16.094 -15.367 330 HA3 GLY 45 HA3 GLY 45 -4.905 17.841 -15.279 331 H SER 46 H SER 46 -5.814 15.219 -13.025 332 HA SER 46 HA SER 46 -4.077 16.509 -11.020 333 HB2 SER 46 HB2 SER 46 -5.648 15.742 -9.307 334 HB3 SER 46 HB3 SER 46 -6.500 16.710 -10.511 335 HG SER 46 HG SER 46 -7.482 14.950 -11.280 336 HA PRO 47 HA PRO 47 -1.937 12.582 -10.622 337 HB2 PRO 47 HB2 PRO 47 -1.657 13.284 -7.770 338 HB3 PRO 47 HB3 PRO 47 -0.410 12.960 -8.975 339 HG2 PRO 47 HG2 PRO 47 -0.891 15.433 -8.040 340 HG3 PRO 47 HG3 PRO 47 -0.360 15.134 -9.705 341 HD2 PRO 47 HD2 PRO 47 -3.073 15.815 -8.675 342 HD3 PRO 47 HD3 PRO 47 -2.289 16.293 -10.193 343 H ALA 48 H ALA 48 -4.657 13.602 -8.766 344 HA ALA 48 HA ALA 48 -5.080 11.295 -7.202 345 HB1 ALA 48 HB1 ALA 48 -6.182 13.448 -6.776 346 HB2 ALA 48 HB2 ALA 48 -7.126 13.248 -8.251 347 HB3 ALA 48 HB3 ALA 48 -7.343 12.127 -6.907 348 H GLU 49 H GLU 49 -6.459 12.268 -10.354 349 HA GLU 49 HA GLU 49 -7.927 9.848 -10.624 350 HB2 GLU 49 HB2 GLU 49 -8.489 10.589 -12.845 351 HB3 GLU 49 HB3 GLU 49 -8.593 11.950 -11.742 352 HG2 GLU 49 HG2 GLU 49 -7.482 13.009 -13.375 353 HG3 GLU 49 HG3 GLU 49 -6.075 12.261 -12.622 354 H LYS 50 H LYS 50 -4.723 10.857 -11.524 355 HA LYS 50 HA LYS 50 -4.148 8.651 -13.224 356 HB2 LYS 50 HB2 LYS 50 -2.318 10.480 -11.664 357 HB3 LYS 50 HB3 LYS 50 -1.756 9.269 -12.807 358 HG2 LYS 50 HG2 LYS 50 -3.123 10.415 -14.561 359 HG3 LYS 50 HG3 LYS 50 -3.425 11.699 -13.393 360 HD2 LYS 50 HD2 LYS 50 -0.680 10.817 -14.275 361 HD3 LYS 50 HD3 LYS 50 -1.562 12.176 -14.974 362 HE2 LYS 50 HE2 LYS 50 -1.622 13.262 -12.788 363 HE3 LYS 50 HE3 LYS 50 -0.752 11.899 -12.084 364 HZ1 LYS 50 HZ1 LYS 50 1.147 12.404 -13.417 365 HZ2 LYS 50 HZ2 LYS 50 0.308 13.608 -14.269 366 HZ3 LYS 50 HZ3 LYS 50 0.671 13.828 -12.628 367 H ALA 51 H ALA 51 -4.286 9.068 -9.811 368 HA ALA 51 HA ALA 51 -2.766 6.682 -9.217 369 HB1 ALA 51 HB1 ALA 51 -4.467 8.405 -7.415 370 HB2 ALA 51 HB2 ALA 51 -3.370 7.125 -6.895 371 HB3 ALA 51 HB3 ALA 51 -2.730 8.574 -7.669 372 H GLY 52 H GLY 52 -5.923 7.426 -10.156 373 HA2 GLY 52 HA2 GLY 52 -7.474 5.720 -10.744 374 HA3 GLY 52 HA3 GLY 52 -6.765 4.691 -9.510 375 H LEU 53 H LEU 53 -7.337 7.919 -8.559 376 HA LEU 53 HA LEU 53 -9.504 7.060 -6.828 377 HB2 LEU 53 HB2 LEU 53 -7.567 8.420 -6.009 378 HB3 LEU 53 HB3 LEU 53 -8.118 9.741 -7.017 379 HG LEU 53 HG LEU 53 -10.020 8.628 -5.006 380 HD11 LEU 53 HD11 LEU 53 -7.878 8.849 -3.809 381 HD12 LEU 53 HD12 LEU 53 -7.773 10.527 -4.341 382 HD13 LEU 53 HD13 LEU 53 -9.076 10.024 -3.264 383 HD21 LEU 53 HD21 LEU 53 -10.704 10.971 -4.892 384 HD22 LEU 53 HD22 LEU 53 -9.401 11.412 -5.996 385 HD23 LEU 53 HD23 LEU 53 -10.723 10.388 -6.558 386 H LEU 54 H LEU 54 -11.605 7.502 -7.191 387 HA LEU 54 HA LEU 54 -12.203 9.097 -9.599 388 HB2 LEU 54 HB2 LEU 54 -13.716 6.789 -8.376 389 HB3 LEU 54 HB3 LEU 54 -14.261 7.717 -9.761 390 HG LEU 54 HG LEU 54 -11.745 6.044 -9.669 391 HD11 LEU 54 HD11 LEU 54 -14.373 5.539 -11.057 392 HD12 LEU 54 HD12 LEU 54 -12.928 4.534 -11.163 393 HD13 LEU 54 HD13 LEU 54 -13.783 4.688 -9.628 394 HD21 LEU 54 HD21 LEU 54 -11.677 6.449 -12.088 395 HD22 LEU 54 HD22 LEU 54 -13.059 7.534 -11.938 396 HD23 LEU 54 HD23 LEU 54 -11.529 7.948 -11.167 397 H ALA 55 H ALA 55 -14.187 10.267 -9.648 398 HA ALA 55 HA ALA 55 -14.649 11.708 -7.202 399 HB1 ALA 55 HB1 ALA 55 -16.127 13.105 -8.544 400 HB2 ALA 55 HB2 ALA 55 -14.587 12.850 -9.367 401 HB3 ALA 55 HB3 ALA 55 -16.020 11.957 -9.879 402 H GLY 56 H GLY 56 -15.444 9.863 -5.985 403 HA2 GLY 56 HA2 GLY 56 -18.105 9.884 -5.427 404 HA3 GLY 56 HA3 GLY 56 -17.965 8.676 -6.695 405 H ASP 57 H ASP 57 -15.119 8.215 -5.500 406 HA ASP 57 HA ASP 57 -15.813 5.958 -3.940 407 HB2 ASP 57 HB2 ASP 57 -13.147 7.371 -4.222 408 HB3 ASP 57 HB3 ASP 57 -13.380 5.799 -3.467 409 H ARG 58 H ARG 58 -15.220 5.583 -1.724 410 HA ARG 58 HA ARG 58 -15.297 8.033 -0.096 411 HB2 ARG 58 HB2 ARG 58 -16.120 6.638 1.733 412 HB3 ARG 58 HB3 ARG 58 -17.157 6.490 0.324 413 HG2 ARG 58 HG2 ARG 58 -16.133 4.352 -0.224 414 HG3 ARG 58 HG3 ARG 58 -15.055 4.507 1.165 415 HD2 ARG 58 HD2 ARG 58 -18.061 4.317 1.241 416 HD3 ARG 58 HD3 ARG 58 -16.922 3.054 1.706 417 HE ARG 58 HE ARG 58 -17.257 5.610 3.134 418 HH11 ARG 58 HH11 ARG 58 -16.505 2.186 3.093 419 HH12 ARG 58 HH12 ARG 58 -16.237 2.106 4.813 420 HH21 ARG 58 HH21 ARG 58 -16.892 5.492 5.389 421 HH22 ARG 58 HH22 ARG 58 -16.409 3.985 6.108 422 H LEU 59 H LEU 59 -13.813 8.292 1.581 423 HA LEU 59 HA LEU 59 -11.324 6.841 1.122 424 HB2 LEU 59 HB2 LEU 59 -11.341 9.319 1.117 425 HB3 LEU 59 HB3 LEU 59 -11.857 9.297 2.791 426 HG LEU 59 HG LEU 59 -9.747 8.229 3.438 427 HD11 LEU 59 HD11 LEU 59 -9.033 8.520 0.523 428 HD12 LEU 59 HD12 LEU 59 -7.925 8.046 1.810 429 HD13 LEU 59 HD13 LEU 59 -9.285 7.006 1.390 430 HD21 LEU 59 HD21 LEU 59 -8.285 10.149 3.006 431 HD22 LEU 59 HD22 LEU 59 -9.417 10.725 1.783 432 HD23 LEU 59 HD23 LEU 59 -9.909 10.652 3.475 433 H VAL 60 H VAL 60 -10.832 5.179 2.367 434 HA VAL 60 HA VAL 60 -12.147 4.953 4.976 435 HB VAL 60 HB VAL 60 -11.339 2.535 4.847 436 HG11 VAL 60 HG11 VAL 60 -13.225 1.893 3.402 437 HG12 VAL 60 HG12 VAL 60 -13.662 3.179 4.526 438 HG13 VAL 60 HG13 VAL 60 -13.343 3.557 2.833 439 HG21 VAL 60 HG21 VAL 60 -9.685 2.843 3.069 440 HG22 VAL 60 HG22 VAL 60 -10.906 1.660 2.608 441 HG23 VAL 60 HG23 VAL 60 -10.968 3.295 1.947 442 H GLU 61 H GLU 61 -8.927 4.686 3.481 443 HA GLU 61 HA GLU 61 -7.771 5.000 6.171 444 HB2 GLU 61 HB2 GLU 61 -6.382 3.287 4.152 445 HB3 GLU 61 HB3 GLU 61 -6.241 3.282 5.899 446 HG2 GLU 61 HG2 GLU 61 -8.769 2.381 4.589 447 HG3 GLU 61 HG3 GLU 61 -7.383 1.301 4.692 448 H VAL 62 H VAL 62 -5.790 6.078 6.247 449 HA VAL 62 HA VAL 62 -4.713 7.091 3.697 450 HB VAL 62 HB VAL 62 -5.040 8.653 6.273 451 HG11 VAL 62 HG11 VAL 62 -2.810 9.086 5.382 452 HG12 VAL 62 HG12 VAL 62 -3.497 9.434 3.797 453 HG13 VAL 62 HG13 VAL 62 -3.848 10.496 5.161 454 HG21 VAL 62 HG21 VAL 62 -6.242 10.240 4.824 455 HG22 VAL 62 HG22 VAL 62 -6.036 9.135 3.466 456 HG23 VAL 62 HG23 VAL 62 -7.009 8.651 4.855 457 H ASN 63 H ASN 63 -2.785 6.229 3.409 458 HA ASN 63 HA ASN 63 -0.675 5.491 3.735 459 HB2 ASN 63 HB2 ASN 63 -0.977 7.482 5.918 460 HB3 ASN 63 HB3 ASN 63 0.417 6.407 5.986 461 HD21 ASN 63 HD21 ASN 63 1.635 8.419 5.686 462 HD22 ASN 63 HD22 ASN 63 1.880 9.015 4.083 463 H GLY 64 H GLY 64 -3.109 4.206 5.206 464 HA2 GLY 64 HA2 GLY 64 -2.855 1.841 5.716 465 HA3 GLY 64 HA3 GLY 64 -1.388 2.251 6.589 466 H GLU 65 H GLU 65 -3.391 4.656 7.428 467 HA GLU 65 HA GLU 65 -4.496 3.121 9.686 468 HB2 GLU 65 HB2 GLU 65 -4.340 5.204 11.004 469 HB3 GLU 65 HB3 GLU 65 -2.772 4.659 10.429 470 HG2 GLU 65 HG2 GLU 65 -3.227 6.313 8.472 471 HG3 GLU 65 HG3 GLU 65 -4.383 7.024 9.597 472 H ASN 66 H ASN 66 -6.609 3.439 10.275 473 HA ASN 66 HA ASN 66 -8.330 4.144 8.117 474 HB2 ASN 66 HB2 ASN 66 -8.857 2.292 9.649 475 HB3 ASN 66 HB3 ASN 66 -9.020 3.441 10.976 476 HD21 ASN 66 HD21 ASN 66 -10.383 2.335 7.951 477 HD22 ASN 66 HD22 ASN 66 -11.971 3.011 8.201 478 H VAL 67 H VAL 67 -9.433 5.939 7.735 479 HA VAL 67 HA VAL 67 -9.210 8.101 9.733 480 HB VAL 67 HB VAL 67 -9.238 9.699 7.858 481 HG11 VAL 67 HG11 VAL 67 -6.964 9.254 7.058 482 HG12 VAL 67 HG12 VAL 67 -7.113 8.994 8.796 483 HG13 VAL 67 HG13 VAL 67 -7.068 7.613 7.697 484 HG21 VAL 67 HG21 VAL 67 -8.887 8.908 5.573 485 HG22 VAL 67 HG22 VAL 67 -9.051 7.240 6.122 486 HG23 VAL 67 HG23 VAL 67 -10.425 8.341 6.220 487 H GLU 68 H GLU 68 -11.408 6.015 8.807 488 HA GLU 68 HA GLU 68 -13.595 7.546 7.863 489 HB2 GLU 68 HB2 GLU 68 -13.549 4.987 9.474 490 HB3 GLU 68 HB3 GLU 68 -15.000 5.676 8.766 491 HG2 GLU 68 HG2 GLU 68 -14.055 5.386 6.540 492 HG3 GLU 68 HG3 GLU 68 -12.586 4.717 7.255 493 H LYS 69 H LYS 69 -12.284 6.998 11.044 494 HA LYS 69 HA LYS 69 -14.699 8.045 12.314 495 HB2 LYS 69 HB2 LYS 69 -12.233 7.007 13.710 496 HB3 LYS 69 HB3 LYS 69 -13.860 7.163 14.358 497 HG2 LYS 69 HG2 LYS 69 -12.953 5.222 12.241 498 HG3 LYS 69 HG3 LYS 69 -13.357 4.842 13.916 499 HD2 LYS 69 HD2 LYS 69 -15.660 5.418 13.556 500 HD3 LYS 69 HD3 LYS 69 -15.303 6.043 11.945 501 HE2 LYS 69 HE2 LYS 69 -16.306 3.873 11.731 502 HE3 LYS 69 HE3 LYS 69 -14.608 3.757 11.272 503 HZ1 LYS 69 HZ1 LYS 69 -15.279 1.906 12.667 504 HZ2 LYS 69 HZ2 LYS 69 -14.122 2.853 13.463 505 HZ3 LYS 69 HZ3 LYS 69 -15.755 2.972 13.899 506 H GLU 70 H GLU 70 -12.043 9.333 10.983 507 HA GLU 70 HA GLU 70 -11.479 11.325 13.028 508 HB2 GLU 70 HB2 GLU 70 -10.408 10.969 10.223 509 HB3 GLU 70 HB3 GLU 70 -9.819 12.138 11.400 510 HG2 GLU 70 HG2 GLU 70 -9.772 9.160 11.803 511 HG3 GLU 70 HG3 GLU 70 -8.423 10.101 11.182 512 H THR 71 H THR 71 -11.782 13.595 12.628 513 HA THR 71 HA THR 71 -14.251 14.197 11.334 514 HB THR 71 HB THR 71 -13.933 16.466 12.036 515 HG1 THR 71 HG1 THR 71 -11.786 16.994 13.029 516 HG21 THR 71 HG21 THR 71 -14.428 14.886 13.849 517 HG22 THR 71 HG22 THR 71 -12.698 14.663 14.117 518 HG23 THR 71 HG23 THR 71 -13.440 16.234 14.416 519 H HIS 72 H HIS 72 -14.376 16.089 9.728 520 HA HIS 72 HA HIS 72 -13.054 15.418 7.375 521 HB2 HIS 72 HB2 HIS 72 -15.075 16.724 7.280 522 HB3 HIS 72 HB3 HIS 72 -14.329 18.039 8.181 523 HD1 HIS 72 HD1 HIS 72 -13.425 16.207 4.945 524 HD2 HIS 72 HD2 HIS 72 -13.742 20.053 6.495 525 HE1 HIS 72 HE1 HIS 72 -12.667 17.754 3.100 526 HE2 HIS 72 HE2 HIS 72 -13.093 20.075 3.990 527 H GLN 73 H GLN 73 -12.237 17.910 9.766 528 HA GLN 73 HA GLN 73 -9.988 18.908 8.383 529 HB2 GLN 73 HB2 GLN 73 -10.747 18.980 11.298 530 HB3 GLN 73 HB3 GLN 73 -9.355 19.814 10.635 531 HG2 GLN 73 HG2 GLN 73 -10.861 21.057 9.130 532 HG3 GLN 73 HG3 GLN 73 -12.232 20.284 9.926 533 HE21 GLN 73 HE21 GLN 73 -9.662 22.599 10.233 534 HE22 GLN 73 HE22 GLN 73 -10.255 23.361 11.679 535 H GLN 74 H GLN 74 -10.383 16.402 10.856 536 HA GLN 74 HA GLN 74 -7.678 15.897 11.367 537 HB2 GLN 74 HB2 GLN 74 -10.124 14.145 11.509 538 HB3 GLN 74 HB3 GLN 74 -8.531 13.553 11.957 539 HG2 GLN 74 HG2 GLN 74 -9.810 15.970 13.212 540 HG3 GLN 74 HG3 GLN 74 -9.983 14.333 13.845 541 HE21 GLN 74 HE21 GLN 74 -8.158 13.268 14.652 542 HE22 GLN 74 HE22 GLN 74 -6.762 14.143 15.179 543 H VAL 75 H VAL 75 -9.871 14.416 9.004 544 HA VAL 75 HA VAL 75 -7.983 12.567 7.983 545 HB VAL 75 HB VAL 75 -10.397 13.694 6.561 546 HG11 VAL 75 HG11 VAL 75 -8.880 11.121 6.169 547 HG12 VAL 75 HG12 VAL 75 -10.354 11.584 5.321 548 HG13 VAL 75 HG13 VAL 75 -8.874 12.513 5.084 549 HG21 VAL 75 HG21 VAL 75 -11.615 11.766 7.432 550 HG22 VAL 75 HG22 VAL 75 -10.192 11.278 8.354 551 HG23 VAL 75 HG23 VAL 75 -11.018 12.789 8.740 552 H VAL 76 H VAL 76 -9.119 15.701 6.774 553 HA VAL 76 HA VAL 76 -7.617 15.630 4.394 554 HB VAL 76 HB VAL 76 -8.855 17.958 5.866 555 HG11 VAL 76 HG11 VAL 76 -7.163 18.904 4.467 556 HG12 VAL 76 HG12 VAL 76 -7.612 17.850 3.124 557 HG13 VAL 76 HG13 VAL 76 -8.718 19.120 3.656 558 HG21 VAL 76 HG21 VAL 76 -10.561 17.756 4.099 559 HG22 VAL 76 HG22 VAL 76 -9.726 16.326 3.491 560 HG23 VAL 76 HG23 VAL 76 -10.444 16.309 5.102 561 H SER 77 H SER 77 -6.880 16.962 7.596 562 HA SER 77 HA SER 77 -4.483 18.249 6.878 563 HB2 SER 77 HB2 SER 77 -5.249 16.992 9.520 564 HB3 SER 77 HB3 SER 77 -3.906 18.108 9.275 565 HG SER 77 HG SER 77 -6.663 18.583 9.256 566 H ARG 78 H ARG 78 -5.174 14.881 7.680 567 HA ARG 78 HA ARG 78 -2.486 14.012 7.889 568 HB2 ARG 78 HB2 ARG 78 -4.938 12.462 7.038 569 HB3 ARG 78 HB3 ARG 78 -3.392 11.748 7.468 570 HG2 ARG 78 HG2 ARG 78 -3.640 12.672 9.746 571 HG3 ARG 78 HG3 ARG 78 -5.231 13.286 9.285 572 HD2 ARG 78 HD2 ARG 78 -5.945 11.000 8.755 573 HD3 ARG 78 HD3 ARG 78 -4.368 10.399 9.266 574 HE ARG 78 HE ARG 78 -6.464 11.495 11.001 575 HH11 ARG 78 HH11 ARG 78 -3.293 10.080 10.663 576 HH12 ARG 78 HH12 ARG 78 -3.260 9.444 12.284 577 HH21 ARG 78 HH21 ARG 78 -6.449 10.688 13.129 578 HH22 ARG 78 HH22 ARG 78 -5.065 9.789 13.694 579 H ILE 79 H ILE 79 -4.736 14.295 5.203 580 HA ILE 79 HA ILE 79 -3.062 13.056 3.264 581 HB ILE 79 HB ILE 79 -5.327 15.004 2.788 582 HG12 ILE 79 HG12 ILE 79 -5.398 11.981 2.959 583 HG13 ILE 79 HG13 ILE 79 -5.974 13.070 4.216 584 HG21 ILE 79 HG21 ILE 79 -4.133 12.875 1.014 585 HG22 ILE 79 HG22 ILE 79 -5.494 13.923 0.610 586 HG23 ILE 79 HG23 ILE 79 -3.887 14.612 0.843 587 HD11 ILE 79 HD11 ILE 79 -7.635 13.963 2.653 588 HD12 ILE 79 HD12 ILE 79 -7.076 12.821 1.431 589 HD13 ILE 79 HD13 ILE 79 -7.819 12.227 2.917 590 H ARG 80 H ARG 80 -3.681 16.413 4.205 591 HA ARG 80 HA ARG 80 -1.991 17.601 2.248 592 HB2 ARG 80 HB2 ARG 80 -2.962 18.642 4.916 593 HB3 ARG 80 HB3 ARG 80 -2.103 19.612 3.730 594 HG2 ARG 80 HG2 ARG 80 -3.896 19.320 2.140 595 HG3 ARG 80 HG3 ARG 80 -4.744 18.252 3.260 596 HD2 ARG 80 HD2 ARG 80 -5.727 20.449 3.356 597 HD3 ARG 80 HD3 ARG 80 -4.889 20.119 4.871 598 HE ARG 80 HE ARG 80 -3.133 21.472 3.144 599 HH11 ARG 80 HH11 ARG 80 -6.035 22.053 5.016 600 HH12 ARG 80 HH12 ARG 80 -5.736 23.754 5.194 601 HH21 ARG 80 HH21 ARG 80 -2.739 23.695 3.360 602 HH22 ARG 80 HH22 ARG 80 -3.856 24.693 4.243 603 H ALA 81 H ALA 81 -1.441 16.094 5.285 604 HA ALA 81 HA ALA 81 0.938 17.253 6.138 605 HB1 ALA 81 HB1 ALA 81 -0.386 15.716 7.497 606 HB2 ALA 81 HB2 ALA 81 0.056 14.380 6.432 607 HB3 ALA 81 HB3 ALA 81 1.295 15.192 7.394 608 H ALA 82 H ALA 82 0.365 14.752 3.743 609 HA ALA 82 HA ALA 82 2.974 13.801 3.444 610 HB1 ALA 82 HB1 ALA 82 0.815 14.011 1.356 611 HB2 ALA 82 HB2 ALA 82 2.254 12.994 1.262 612 HB3 ALA 82 HB3 ALA 82 1.031 12.684 2.497 613 H LEU 83 H LEU 83 4.710 14.460 2.332 614 HA LEU 83 HA LEU 83 4.684 17.253 1.502 615 HB2 LEU 83 HB2 LEU 83 6.994 15.361 1.965 616 HB3 LEU 83 HB3 LEU 83 7.151 17.056 1.546 617 HG LEU 83 HG LEU 83 5.812 17.495 3.725 618 HD11 LEU 83 HD11 LEU 83 6.837 14.715 4.288 619 HD12 LEU 83 HD12 LEU 83 6.104 15.812 5.457 620 HD13 LEU 83 HD13 LEU 83 5.142 15.176 4.123 621 HD21 LEU 83 HD21 LEU 83 8.150 18.090 3.407 622 HD22 LEU 83 HD22 LEU 83 7.871 17.474 5.035 623 HD23 LEU 83 HD23 LEU 83 8.635 16.446 3.822 624 H ASN 84 H ASN 84 4.993 14.060 0.182 625 HA ASN 84 HA ASN 84 5.097 15.240 -2.490 626 HB2 ASN 84 HB2 ASN 84 7.437 14.756 -1.993 627 HB3 ASN 84 HB3 ASN 84 7.020 13.103 -1.553 628 HD21 ASN 84 HD21 ASN 84 6.657 11.603 -3.132 629 HD22 ASN 84 HD22 ASN 84 6.951 11.892 -4.811 630 H ALA 85 H ALA 85 4.950 12.157 -0.697 631 HA ALA 85 HA ALA 85 2.829 11.327 -2.559 632 HB1 ALA 85 HB1 ALA 85 4.910 10.218 -3.202 633 HB2 ALA 85 HB2 ALA 85 5.062 9.557 -1.573 634 HB3 ALA 85 HB3 ALA 85 3.718 9.063 -2.603 635 H VAL 86 H VAL 86 1.251 9.970 -1.738 636 HA VAL 86 HA VAL 86 1.295 9.188 1.062 637 HB VAL 86 HB VAL 86 0.474 11.422 1.305 638 HG11 VAL 86 HG11 VAL 86 -0.137 11.889 -0.986 639 HG12 VAL 86 HG12 VAL 86 -1.515 10.797 -0.864 640 HG13 VAL 86 HG13 VAL 86 -1.475 12.278 0.094 641 HG21 VAL 86 HG21 VAL 86 -0.687 9.741 2.640 642 HG22 VAL 86 HG22 VAL 86 -1.755 11.081 2.220 643 HG23 VAL 86 HG23 VAL 86 -1.884 9.548 1.358 644 H ARG 87 H ARG 87 -0.068 7.436 1.464 645 HA ARG 87 HA ARG 87 -1.156 6.169 -0.930 646 HB2 ARG 87 HB2 ARG 87 -0.871 5.070 1.874 647 HB3 ARG 87 HB3 ARG 87 -1.380 4.159 0.461 648 HG2 ARG 87 HG2 ARG 87 0.850 4.667 -0.559 649 HG3 ARG 87 HG3 ARG 87 1.331 5.344 0.997 650 HD2 ARG 87 HD2 ARG 87 0.389 2.516 0.525 651 HD3 ARG 87 HD3 ARG 87 2.067 3.013 0.730 652 HE ARG 87 HE ARG 87 1.032 3.902 3.005 653 HH11 ARG 87 HH11 ARG 87 0.619 0.806 1.390 654 HH12 ARG 87 HH12 ARG 87 0.299 -0.059 2.860 655 HH21 ARG 87 HH21 ARG 87 0.629 2.739 4.947 656 HH22 ARG 87 HH22 ARG 87 0.328 1.023 4.876 657 H LEU 88 H LEU 88 -3.149 6.704 -1.435 658 HA LEU 88 HA LEU 88 -5.134 7.124 0.688 659 HB2 LEU 88 HB2 LEU 88 -5.065 7.888 -2.228 660 HB3 LEU 88 HB3 LEU 88 -6.546 7.933 -1.299 661 HG LEU 88 HG LEU 88 -5.595 10.153 -1.482 662 HD11 LEU 88 HD11 LEU 88 -5.487 10.752 0.881 663 HD12 LEU 88 HD12 LEU 88 -6.786 9.599 0.572 664 HD13 LEU 88 HD13 LEU 88 -5.279 9.053 1.307 665 HD21 LEU 88 HD21 LEU 88 -3.168 9.026 -0.113 666 HD22 LEU 88 HD22 LEU 88 -3.266 9.545 -1.796 667 HD23 LEU 88 HD23 LEU 88 -3.452 10.724 -0.497 668 H LEU 89 H LEU 89 -6.431 5.459 1.143 669 HA LEU 89 HA LEU 89 -6.847 3.443 -0.946 670 HB2 LEU 89 HB2 LEU 89 -6.067 2.697 1.319 671 HB3 LEU 89 HB3 LEU 89 -7.604 3.252 1.964 672 HG LEU 89 HG LEU 89 -8.747 1.679 0.375 673 HD11 LEU 89 HD11 LEU 89 -7.448 -0.137 -0.581 674 HD12 LEU 89 HD12 LEU 89 -6.908 1.419 -1.213 675 HD13 LEU 89 HD13 LEU 89 -5.957 0.591 0.021 676 HD21 LEU 89 HD21 LEU 89 -8.445 1.163 2.731 677 HD22 LEU 89 HD22 LEU 89 -8.332 -0.287 1.734 678 HD23 LEU 89 HD23 LEU 89 -6.869 0.456 2.381 679 H VAL 90 H VAL 90 -8.699 3.383 -1.989 680 HA VAL 90 HA VAL 90 -11.019 4.733 -0.807 681 HB VAL 90 HB VAL 90 -11.601 5.629 -3.074 682 HG11 VAL 90 HG11 VAL 90 -9.024 6.620 -1.867 683 HG12 VAL 90 HG12 VAL 90 -10.063 7.531 -2.962 684 HG13 VAL 90 HG13 VAL 90 -10.653 7.068 -1.367 685 HG21 VAL 90 HG21 VAL 90 -10.218 4.176 -4.453 686 HG22 VAL 90 HG22 VAL 90 -9.794 5.865 -4.734 687 HG23 VAL 90 HG23 VAL 90 -8.757 4.851 -3.731 688 H VAL 91 H VAL 91 -13.021 4.020 -1.487 689 HA VAL 91 HA VAL 91 -13.218 1.762 -3.294 690 HB VAL 91 HB VAL 91 -12.719 0.658 -1.180 691 HG11 VAL 91 HG11 VAL 91 -14.127 0.895 0.787 692 HG12 VAL 91 HG12 VAL 91 -13.413 2.444 0.339 693 HG13 VAL 91 HG13 VAL 91 -15.104 2.110 -0.040 694 HG21 VAL 91 HG21 VAL 91 -15.649 0.394 -1.841 695 HG22 VAL 91 HG22 VAL 91 -14.323 -0.435 -2.660 696 HG23 VAL 91 HG23 VAL 91 -14.669 -0.783 -0.966 697 H ASP 92 H ASP 92 -15.381 1.491 -4.076 698 HA ASP 92 HA ASP 92 -17.031 3.836 -3.800 699 HB2 ASP 92 HB2 ASP 92 -18.576 2.608 -5.353 700 HB3 ASP 92 HB3 ASP 92 -16.963 2.863 -5.984 701 HA PRO 93 HA PRO 93 -19.045 2.703 -0.119 702 HB2 PRO 93 HB2 PRO 93 -21.337 4.173 -1.333 703 HB3 PRO 93 HB3 PRO 93 -20.570 4.384 0.246 704 HG2 PRO 93 HG2 PRO 93 -20.089 6.104 -1.715 705 HG3 PRO 93 HG3 PRO 93 -18.785 5.583 -0.630 706 HD2 PRO 93 HD2 PRO 93 -19.357 4.761 -3.446 707 HD3 PRO 93 HD3 PRO 93 -17.797 5.012 -2.635 708 H GLU 94 H GLU 94 -20.518 2.013 -3.212 709 HA GLU 94 HA GLU 94 -22.698 0.506 -2.101 710 HB2 GLU 94 HB2 GLU 94 -23.024 -0.250 -4.483 711 HB3 GLU 94 HB3 GLU 94 -23.100 1.486 -4.220 712 HG2 GLU 94 HG2 GLU 94 -20.707 1.601 -4.953 713 HG3 GLU 94 HG3 GLU 94 -20.844 -0.096 -5.417 714 H THR 95 H THR 95 -19.531 -0.264 -3.446 715 HA THR 95 HA THR 95 -19.843 -3.085 -3.185 716 HB THR 95 HB THR 95 -17.333 -1.435 -3.528 717 HG1 THR 95 HG1 THR 95 -18.416 -1.304 -5.403 718 HG21 THR 95 HG21 THR 95 -17.715 -4.422 -3.807 719 HG22 THR 95 HG22 THR 95 -16.235 -3.523 -4.142 720 HG23 THR 95 HG23 THR 95 -16.850 -3.625 -2.493 721 H ASP 96 H ASP 96 -18.943 -0.538 -1.008 722 HA ASP 96 HA ASP 96 -17.453 -1.901 0.906 723 HB2 ASP 96 HB2 ASP 96 -19.436 0.344 1.122 724 HB3 ASP 96 HB3 ASP 96 -18.696 -0.331 2.566 725 H GLU 97 H GLU 97 -20.861 -1.984 0.242 726 HA GLU 97 HA GLU 97 -21.758 -3.295 2.563 727 HB2 GLU 97 HB2 GLU 97 -23.219 -2.211 0.857 728 HB3 GLU 97 HB3 GLU 97 -22.847 -3.524 -0.249 729 HG2 GLU 97 HG2 GLU 97 -23.866 -5.111 1.320 730 HG3 GLU 97 HG3 GLU 97 -24.273 -3.766 2.388 731 H GLN 98 H GLN 98 -20.641 -4.502 -0.570 732 HA GLN 98 HA GLN 98 -20.869 -7.255 0.037 733 HB2 GLN 98 HB2 GLN 98 -20.717 -6.452 -2.255 734 HB3 GLN 98 HB3 GLN 98 -19.118 -5.792 -1.950 735 HG2 GLN 98 HG2 GLN 98 -18.976 -7.850 -3.207 736 HG3 GLN 98 HG3 GLN 98 -18.244 -8.044 -1.617 737 HE21 GLN 98 HE21 GLN 98 -21.698 -8.012 -2.078 738 HE22 GLN 98 HE22 GLN 98 -21.949 -9.692 -1.742 739 H LEU 99 H LEU 99 -18.259 -4.906 0.343 740 HA LEU 99 HA LEU 99 -16.176 -6.645 1.023 741 HB2 LEU 99 HB2 LEU 99 -16.601 -3.798 1.889 742 HB3 LEU 99 HB3 LEU 99 -15.099 -4.689 2.050 743 HG LEU 99 HG LEU 99 -16.366 -3.539 -0.388 744 HD11 LEU 99 HD11 LEU 99 -13.555 -3.784 0.636 745 HD12 LEU 99 HD12 LEU 99 -14.033 -2.945 -0.841 746 HD13 LEU 99 HD13 LEU 99 -14.585 -2.356 0.729 747 HD21 LEU 99 HD21 LEU 99 -14.974 -4.961 -1.821 748 HD22 LEU 99 HD22 LEU 99 -14.522 -5.928 -0.417 749 HD23 LEU 99 HD23 LEU 99 -16.201 -5.891 -0.961 750 H GLN 100 H GLN 100 -18.480 -4.918 3.101 751 HA GLN 100 HA GLN 100 -17.393 -5.878 5.530 752 HB2 GLN 100 HB2 GLN 100 -19.315 -4.964 6.615 753 HB3 GLN 100 HB3 GLN 100 -18.866 -3.865 5.321 754 HG2 GLN 100 HG2 GLN 100 -20.648 -4.872 3.925 755 HG3 GLN 100 HG3 GLN 100 -21.138 -5.835 5.319 756 HE21 GLN 100 HE21 GLN 100 -21.991 -4.763 7.142 757 HE22 GLN 100 HE22 GLN 100 -22.708 -3.197 6.995 758 H LYS 101 H LYS 101 -19.789 -7.153 3.304 759 HA LYS 101 HA LYS 101 -20.771 -9.238 4.934 760 HB2 LYS 101 HB2 LYS 101 -20.515 -9.091 1.923 761 HB3 LYS 101 HB3 LYS 101 -21.390 -10.345 2.785 762 HG2 LYS 101 HG2 LYS 101 -22.045 -7.410 2.867 763 HG3 LYS 101 HG3 LYS 101 -22.866 -8.617 1.876 764 HD2 LYS 101 HD2 LYS 101 -23.528 -9.818 3.915 765 HD3 LYS 101 HD3 LYS 101 -22.741 -8.575 4.891 766 HE2 LYS 101 HE2 LYS 101 -24.251 -6.891 3.978 767 HE3 LYS 101 HE3 LYS 101 -25.014 -8.113 2.963 768 HZ1 LYS 101 HZ1 LYS 101 -26.349 -7.728 4.892 769 HZ2 LYS 101 HZ2 LYS 101 -25.678 -9.283 5.003 770 HZ3 LYS 101 HZ3 LYS 101 -25.038 -8.015 5.928 771 H LEU 102 H LEU 102 -17.979 -8.974 2.796 772 HA LEU 102 HA LEU 102 -17.246 -11.687 2.760 773 HB2 LEU 102 HB2 LEU 102 -15.326 -9.365 2.650 774 HB3 LEU 102 HB3 LEU 102 -15.087 -10.970 1.996 775 HG LEU 102 HG LEU 102 -17.031 -8.906 0.977 776 HD11 LEU 102 HD11 LEU 102 -14.497 -10.028 -0.207 777 HD12 LEU 102 HD12 LEU 102 -15.593 -8.892 -0.995 778 HD13 LEU 102 HD13 LEU 102 -14.710 -8.406 0.451 779 HD21 LEU 102 HD21 LEU 102 -16.439 -11.670 -0.068 780 HD22 LEU 102 HD22 LEU 102 -17.921 -11.174 0.754 781 HD23 LEU 102 HD23 LEU 102 -17.507 -10.478 -0.812 782 H GLY 103 H GLY 103 -15.874 -9.032 4.703 783 HA2 GLY 103 HA2 GLY 103 -15.351 -9.183 7.012 784 HA3 GLY 103 HA3 GLY 103 -15.383 -10.936 6.880 785 H VAL 104 H VAL 104 -13.760 -10.685 4.359 786 HA VAL 104 HA VAL 104 -11.197 -11.008 5.578 787 HB VAL 104 HB VAL 104 -11.849 -10.802 2.633 788 HG11 VAL 104 HG11 VAL 104 -9.479 -10.582 3.114 789 HG12 VAL 104 HG12 VAL 104 -9.521 -12.056 4.080 790 HG13 VAL 104 HG13 VAL 104 -9.808 -12.134 2.342 791 HG21 VAL 104 HG21 VAL 104 -11.977 -13.253 2.656 792 HG22 VAL 104 HG22 VAL 104 -11.784 -13.243 4.409 793 HG23 VAL 104 HG23 VAL 104 -13.220 -12.525 3.677 794 H GLN 105 H GLN 105 -9.497 -9.611 5.649 795 HA GLN 105 HA GLN 105 -10.150 -6.824 5.245 796 HB2 GLN 105 HB2 GLN 105 -7.648 -8.130 6.325 797 HB3 GLN 105 HB3 GLN 105 -7.954 -6.399 6.312 798 HG2 GLN 105 HG2 GLN 105 -9.449 -8.507 7.854 799 HG3 GLN 105 HG3 GLN 105 -8.400 -7.245 8.499 800 HE21 GLN 105 HE21 GLN 105 -11.539 -8.027 7.309 801 HE22 GLN 105 HE22 GLN 105 -12.288 -6.509 7.678 802 H VAL 106 H VAL 106 -10.281 -7.426 2.828 803 HA VAL 106 HA VAL 106 -7.897 -7.746 1.341 804 HB VAL 106 HB VAL 106 -9.253 -7.015 -0.622 805 HG11 VAL 106 HG11 VAL 106 -9.198 -9.357 0.058 806 HG12 VAL 106 HG12 VAL 106 -10.552 -9.077 1.155 807 HG13 VAL 106 HG13 VAL 106 -10.781 -8.925 -0.589 808 HG21 VAL 106 HG21 VAL 106 -11.666 -6.633 -0.314 809 HG22 VAL 106 HG22 VAL 106 -11.436 -6.670 1.435 810 HG23 VAL 106 HG23 VAL 106 -10.695 -5.389 0.475 811 H ARG 107 H ARG 107 -9.119 -5.051 2.971 812 HA ARG 107 HA ARG 107 -8.531 -2.984 1.151 813 HB2 ARG 107 HB2 ARG 107 -8.688 -1.480 3.131 814 HB3 ARG 107 HB3 ARG 107 -10.071 -2.540 2.919 815 HG2 ARG 107 HG2 ARG 107 -9.291 -3.982 4.686 816 HG3 ARG 107 HG3 ARG 107 -7.811 -3.035 4.847 817 HD2 ARG 107 HD2 ARG 107 -8.973 -1.167 5.697 818 HD3 ARG 107 HD3 ARG 107 -10.536 -1.811 5.194 819 HE ARG 107 HE ARG 107 -9.517 -3.648 6.975 820 HH11 ARG 107 HH11 ARG 107 -10.230 -0.203 7.148 821 HH12 ARG 107 HH12 ARG 107 -10.773 -0.290 8.794 822 HH21 ARG 107 HH21 ARG 107 -10.195 -3.733 9.132 823 HH22 ARG 107 HH22 ARG 107 -10.755 -2.286 9.926 824 H GLU 108 H GLU 108 -6.437 -4.747 3.304 825 HA GLU 108 HA GLU 108 -4.233 -3.016 2.476 826 HB2 GLU 108 HB2 GLU 108 -5.392 -2.499 4.845 827 HB3 GLU 108 HB3 GLU 108 -4.274 -3.753 5.354 828 HG2 GLU 108 HG2 GLU 108 -3.430 -1.298 3.844 829 HG3 GLU 108 HG3 GLU 108 -3.468 -1.394 5.602 830 H GLU 109 H GLU 109 -5.134 -5.817 4.450 831 HA GLU 109 HA GLU 109 -2.706 -7.144 4.501 832 HB2 GLU 109 HB2 GLU 109 -4.597 -7.776 5.888 833 HB3 GLU 109 HB3 GLU 109 -5.516 -8.257 4.469 834 HG2 GLU 109 HG2 GLU 109 -3.752 -9.985 4.038 835 HG3 GLU 109 HG3 GLU 109 -3.080 -9.582 5.618 836 H LEU 110 H LEU 110 -5.351 -7.506 2.162 837 HA LEU 110 HA LEU 110 -4.153 -9.570 0.665 838 HB2 LEU 110 HB2 LEU 110 -6.602 -8.816 0.745 839 HB3 LEU 110 HB3 LEU 110 -6.143 -7.575 -0.400 840 HG LEU 110 HG LEU 110 -7.238 -9.654 -1.350 841 HD11 LEU 110 HD11 LEU 110 -6.058 -8.109 -2.789 842 HD12 LEU 110 HD12 LEU 110 -4.521 -8.884 -2.401 843 HD13 LEU 110 HD13 LEU 110 -5.753 -9.769 -3.301 844 HD21 LEU 110 HD21 LEU 110 -4.558 -10.842 -0.657 845 HD22 LEU 110 HD22 LEU 110 -6.131 -11.332 -0.025 846 HD23 LEU 110 HD23 LEU 110 -5.747 -11.586 -1.728 847 H LEU 111 H LEU 111 -3.899 -6.078 0.508 848 HA LEU 111 HA LEU 111 -2.900 -5.960 -2.146 849 HB2 LEU 111 HB2 LEU 111 -2.669 -3.958 0.098 850 HB3 LEU 111 HB3 LEU 111 -2.320 -3.639 -1.589 851 HG LEU 111 HG LEU 111 -5.016 -4.283 -0.401 852 HD11 LEU 111 HD11 LEU 111 -4.267 -2.003 -0.015 853 HD12 LEU 111 HD12 LEU 111 -3.930 -1.809 -1.736 854 HD13 LEU 111 HD13 LEU 111 -5.590 -2.036 -1.184 855 HD21 LEU 111 HD21 LEU 111 -5.902 -3.987 -2.663 856 HD22 LEU 111 HD22 LEU 111 -4.260 -3.826 -3.286 857 HD23 LEU 111 HD23 LEU 111 -4.790 -5.355 -2.582 858 H ARG 112 H ARG 112 -1.438 -6.480 0.962 859 HA ARG 112 HA ARG 112 1.196 -6.398 -0.342 860 HB2 ARG 112 HB2 ARG 112 0.487 -5.848 2.527 861 HB3 ARG 112 HB3 ARG 112 2.133 -6.018 1.931 862 HG2 ARG 112 HG2 ARG 112 1.669 -4.139 0.352 863 HG3 ARG 112 HG3 ARG 112 0.126 -3.910 1.182 864 HD2 ARG 112 HD2 ARG 112 2.839 -3.811 2.482 865 HD3 ARG 112 HD3 ARG 112 1.884 -2.405 2.016 866 HE ARG 112 HE ARG 112 0.165 -3.254 3.616 867 HH11 ARG 112 HH11 ARG 112 3.571 -4.014 4.024 868 HH12 ARG 112 HH12 ARG 112 3.403 -4.389 5.718 869 HH21 ARG 112 HH21 ARG 112 -0.052 -3.725 5.814 870 HH22 ARG 112 HH22 ARG 112 1.350 -4.185 6.742 871 H ALA 113 H ALA 113 -0.486 -8.609 -0.475 872 HA ALA 113 HA ALA 113 0.448 -10.641 1.313 873 HB1 ALA 113 HB1 ALA 113 -1.669 -10.902 0.181 874 HB2 ALA 113 HB2 ALA 113 -0.877 -10.802 -1.391 875 HB3 ALA 113 HB3 ALA 113 -0.574 -12.184 -0.334 876 H GLN 114 H GLN 114 2.727 -10.016 1.136 877 HA GLN 114 HA GLN 114 4.014 -10.884 -1.369 878 HB2 GLN 114 HB2 GLN 114 5.766 -9.259 -0.890 879 HB3 GLN 114 HB3 GLN 114 4.195 -8.467 -0.931 880 HG2 GLN 114 HG2 GLN 114 4.158 -8.682 1.580 881 HG3 GLN 114 HG3 GLN 114 5.849 -9.168 1.475 882 HE21 GLN 114 HE21 GLN 114 4.641 -6.882 2.765 883 HE22 GLN 114 HE22 GLN 114 5.376 -5.479 2.061 884 H GLU 115 H GLU 115 6.483 -11.309 -0.853 885 HA GLU 115 HA GLU 115 6.827 -12.725 1.665 886 HB2 GLU 115 HB2 GLU 115 5.845 -14.392 0.135 887 HB3 GLU 115 HB3 GLU 115 7.135 -14.087 -1.018 888 HG2 GLU 115 HG2 GLU 115 8.774 -14.927 0.562 889 HG3 GLU 115 HG3 GLU 115 7.506 -15.184 1.760 890 H ALA 116 H ALA 116 8.915 -12.786 2.335 891 HA ALA 116 HA ALA 116 10.932 -11.635 0.509 892 HB1 ALA 116 HB1 ALA 116 10.802 -11.439 3.521 893 HB2 ALA 116 HB2 ALA 116 12.078 -10.773 2.503 894 HB3 ALA 116 HB3 ALA 116 10.436 -10.146 2.379 895 HA PRO 117 HA PRO 117 12.274 -15.897 1.537 896 HB2 PRO 117 HB2 PRO 117 12.811 -16.491 -1.160 897 HB3 PRO 117 HB3 PRO 117 11.366 -16.935 -0.255 898 HG2 PRO 117 HG2 PRO 117 11.501 -15.142 -2.416 899 HG3 PRO 117 HG3 PRO 117 10.126 -15.376 -1.325 900 HD2 PRO 117 HD2 PRO 117 12.218 -13.259 -1.313 901 HD3 PRO 117 HD3 PRO 117 10.514 -13.173 -0.816 902 H GLY 118 H GLY 118 14.021 -14.007 2.160 903 HA2 GLY 118 HA2 GLY 118 16.448 -14.616 0.590 904 HA3 GLY 118 HA3 GLY 118 16.226 -13.161 1.555 905 H GLN 119 H GLN 119 16.804 -13.165 3.651 906 HA GLN 119 HA GLN 119 17.378 -15.734 4.938 907 HB2 GLN 119 HB2 GLN 119 19.414 -14.722 5.923 908 HB3 GLN 119 HB3 GLN 119 19.516 -14.910 4.182 909 HG2 GLN 119 HG2 GLN 119 19.082 -12.556 3.868 910 HG3 GLN 119 HG3 GLN 119 18.839 -12.342 5.602 911 HE21 GLN 119 HE21 GLN 119 20.766 -11.081 3.801 912 HE22 GLN 119 HE22 GLN 119 22.331 -11.439 4.446 913 H ALA 120 H ALA 120 18.308 -14.674 7.345 914 HA ALA 120 HA ALA 120 15.859 -13.567 8.448 915 HB1 ALA 120 HB1 ALA 120 16.944 -15.431 9.607 916 HB2 ALA 120 HB2 ALA 120 18.395 -14.453 9.827 917 HB3 ALA 120 HB3 ALA 120 16.891 -13.990 10.624 918 H1 GLN 1 HT1 GLN 1 -18.826 22.126 5.160 919 H2 GLN 1 HT2 GLN 1 -18.121 22.626 3.706 920 H3 GLN 1 HT3 GLN 1 -17.194 21.782 4.843 921 HA GLN 1 HA GLN 1 -18.649 19.853 4.580 922 HB2 GLN 1 HB2 GLN 1 -20.061 19.823 2.488 923 HB3 GLN 1 HB3 GLN 1 -20.665 20.841 3.790 924 HG2 GLN 1 HG2 GLN 1 -19.942 22.819 2.676 925 HG3 GLN 1 HG3 GLN 1 -19.071 21.884 1.463 926 HE21 GLN 1 HE21 GLN 1 -21.151 23.881 1.126 927 HE22 GLN 1 HE22 GLN 1 -22.419 23.096 0.230 928 H ASP 2 H ASP 2 -17.701 21.658 1.631 929 HA ASP 2 HA ASP 2 -16.129 19.309 0.843 930 HB2 ASP 2 HB2 ASP 2 -17.910 19.983 -0.715 931 HB3 ASP 2 HB3 ASP 2 -17.205 21.592 -0.833 932 H THR 3 H THR 3 -14.016 19.531 0.158 933 HA THR 3 HA THR 3 -12.784 22.169 0.203 934 HB THR 3 HB THR 3 -11.698 19.876 1.860 935 HG1 THR 3 HG1 THR 3 -13.531 21.833 2.415 936 HG21 THR 3 HG21 THR 3 -10.817 22.760 1.629 937 HG22 THR 3 HG22 THR 3 -10.129 21.556 2.719 938 HG23 THR 3 HG23 THR 3 -9.961 21.360 0.974 939 H ARG 4 H ARG 4 -11.400 22.348 -1.451 940 HA ARG 4 HA ARG 4 -10.894 20.087 -3.135 941 HB2 ARG 4 HB2 ARG 4 -11.225 22.366 -4.041 942 HB3 ARG 4 HB3 ARG 4 -9.718 22.866 -3.284 943 HG2 ARG 4 HG2 ARG 4 -8.505 21.222 -4.648 944 HG3 ARG 4 HG3 ARG 4 -10.023 20.783 -5.435 945 HD2 ARG 4 HD2 ARG 4 -8.834 22.314 -6.846 946 HD3 ARG 4 HD3 ARG 4 -10.252 23.130 -6.191 947 HE ARG 4 HE ARG 4 -7.742 23.520 -4.764 948 HH11 ARG 4 HH11 ARG 4 -10.088 24.757 -7.059 949 HH12 ARG 4 HH12 ARG 4 -9.483 26.389 -6.987 950 HH21 ARG 4 HH21 ARG 4 -6.964 25.660 -4.643 951 HH22 ARG 4 HH22 ARG 4 -7.720 26.912 -5.596 952 H LEU 5 H LEU 5 -9.346 18.682 -2.928 953 HA LEU 5 HA LEU 5 -6.907 19.398 -1.454 954 HB2 LEU 5 HB2 LEU 5 -8.465 16.874 -1.758 955 HB3 LEU 5 HB3 LEU 5 -6.730 16.754 -1.562 956 HG LEU 5 HG LEU 5 -6.946 18.036 0.577 957 HD11 LEU 5 HD11 LEU 5 -9.045 19.175 0.114 958 HD12 LEU 5 HD12 LEU 5 -9.895 17.631 0.120 959 HD13 LEU 5 HD13 LEU 5 -9.152 18.234 1.601 960 HD21 LEU 5 HD21 LEU 5 -8.548 15.492 0.402 961 HD22 LEU 5 HD22 LEU 5 -6.794 15.599 0.547 962 HD23 LEU 5 HD23 LEU 5 -7.824 16.165 1.861 Start of MODEL 5 1 H1 GLY 4 HT1 GLY 4 -23.733 -17.713 -1.281 2 H2 GLY 4 HT2 GLY 4 -24.407 -16.325 -0.581 3 H3 GLY 4 HT3 GLY 4 -25.247 -17.794 -0.519 4 HA2 GLY 4 HA3 GLY 4 -24.278 -17.377 1.620 5 HA3 GLY 4 HA2 GLY 4 -23.471 -18.744 0.861 6 H ILE 5 H ILE 5 -21.356 -18.508 0.096 7 HA ILE 5 HA ILE 5 -19.874 -16.307 1.285 8 HB ILE 5 HB ILE 5 -17.867 -17.493 0.631 9 HG12 ILE 5 HG12 ILE 5 -18.499 -19.941 -0.370 10 HG13 ILE 5 HG13 ILE 5 -19.718 -18.947 -1.163 11 HG21 ILE 5 HG21 ILE 5 -19.931 -19.373 1.763 12 HG22 ILE 5 HG22 ILE 5 -18.184 -19.582 1.871 13 HG23 ILE 5 HG23 ILE 5 -18.959 -18.214 2.670 14 HD11 ILE 5 HD11 ILE 5 -17.726 -19.209 -2.537 15 HD12 ILE 5 HD12 ILE 5 -17.974 -17.524 -2.080 16 HD13 ILE 5 HD13 ILE 5 -16.745 -18.488 -1.262 17 H ASP 6 H ASP 6 -18.142 -15.259 -0.127 18 HA ASP 6 HA ASP 6 -18.946 -14.999 -2.922 19 HB2 ASP 6 HB2 ASP 6 -19.061 -12.838 -0.878 20 HB3 ASP 6 HB3 ASP 6 -18.444 -12.409 -2.470 21 HA PRO 7 HA PRO 7 -14.540 -14.985 -3.637 22 HB2 PRO 7 HB2 PRO 7 -15.301 -13.297 -5.960 23 HB3 PRO 7 HB3 PRO 7 -14.366 -14.796 -5.917 24 HG2 PRO 7 HG2 PRO 7 -16.858 -14.799 -6.818 25 HG3 PRO 7 HG3 PRO 7 -16.260 -16.126 -5.805 26 HD2 PRO 7 HD2 PRO 7 -18.006 -13.809 -5.052 27 HD3 PRO 7 HD3 PRO 7 -18.133 -15.515 -4.572 28 H PHE 8 H PHE 8 -12.844 -13.346 -4.150 29 HA PHE 8 HA PHE 8 -13.144 -11.157 -2.328 30 HB2 PHE 8 HB2 PHE 8 -10.849 -11.934 -4.142 31 HB3 PHE 8 HB3 PHE 8 -10.781 -10.648 -2.942 32 HD1 PHE 8 HD1 PHE 8 -11.020 -11.220 -0.525 33 HD2 PHE 8 HD2 PHE 8 -10.553 -14.193 -3.535 34 HE1 PHE 8 HE1 PHE 8 -10.363 -12.853 1.195 35 HE2 PHE 8 HE2 PHE 8 -9.895 -15.831 -1.821 36 HZ PHE 8 HZ PHE 8 -9.800 -15.162 0.546 37 H THR 9 H THR 9 -14.677 -9.815 -3.171 38 HA THR 9 HA THR 9 -14.773 -8.903 -5.836 39 HB THR 9 HB THR 9 -16.273 -7.099 -4.809 40 HG1 THR 9 HG1 THR 9 -15.253 -7.379 -2.674 41 HG21 THR 9 HG21 THR 9 -18.079 -8.706 -4.338 42 HG22 THR 9 HG22 THR 9 -17.192 -9.107 -5.810 43 HG23 THR 9 HG23 THR 9 -16.894 -10.010 -4.324 44 H MET 10 H MET 10 -14.063 -7.095 -6.806 45 HA MET 10 HA MET 10 -13.318 -4.975 -7.136 46 HB2 MET 10 HB2 MET 10 -14.501 -4.248 -5.150 47 HB3 MET 10 HB3 MET 10 -13.193 -4.817 -4.125 48 HG2 MET 10 HG2 MET 10 -11.695 -3.166 -5.129 49 HG3 MET 10 HG3 MET 10 -13.019 -2.590 -6.140 50 HE1 MET 10 HE1 MET 10 -12.533 0.334 -3.571 51 HE2 MET 10 HE2 MET 10 -11.284 -0.679 -4.297 52 HE3 MET 10 HE3 MET 10 -12.631 -0.100 -5.278 53 H LEU 11 H LEU 11 -11.483 -6.454 -4.457 54 HA LEU 11 HA LEU 11 -9.252 -6.552 -4.024 55 HB2 LEU 11 HB2 LEU 11 -8.965 -6.417 -7.032 56 HB3 LEU 11 HB3 LEU 11 -7.738 -6.959 -5.903 57 HG LEU 11 HG LEU 11 -10.385 -8.331 -6.370 58 HD11 LEU 11 HD11 LEU 11 -8.981 -8.534 -8.320 59 HD12 LEU 11 HD12 LEU 11 -7.614 -9.031 -7.321 60 HD13 LEU 11 HD13 LEU 11 -9.034 -10.070 -7.455 61 HD21 LEU 11 HD21 LEU 11 -9.504 -8.628 -4.105 62 HD22 LEU 11 HD22 LEU 11 -9.453 -10.128 -5.033 63 HD23 LEU 11 HD23 LEU 11 -7.976 -9.196 -4.776 64 HA PRO 12 HA PRO 12 -9.333 -1.962 -4.341 65 HB2 PRO 12 HB2 PRO 12 -8.306 -1.564 -1.833 66 HB3 PRO 12 HB3 PRO 12 -10.025 -1.794 -2.172 67 HG2 PRO 12 HG2 PRO 12 -7.999 -3.783 -1.221 68 HG3 PRO 12 HG3 PRO 12 -9.672 -3.541 -0.683 69 HD2 PRO 12 HD2 PRO 12 -9.010 -5.524 -2.367 70 HD3 PRO 12 HD3 PRO 12 -10.553 -4.655 -2.512 71 H ARG 13 H ARG 13 -7.749 -0.424 -4.620 72 HA ARG 13 HA ARG 13 -4.978 -1.415 -4.551 73 HB2 ARG 13 HB2 ARG 13 -4.570 0.338 -6.349 74 HB3 ARG 13 HB3 ARG 13 -5.504 -1.070 -6.831 75 HG2 ARG 13 HG2 ARG 13 -7.403 0.121 -7.145 76 HG3 ARG 13 HG3 ARG 13 -7.021 1.279 -5.872 77 HD2 ARG 13 HD2 ARG 13 -6.987 2.244 -8.163 78 HD3 ARG 13 HD3 ARG 13 -5.473 2.427 -7.283 79 HE ARG 13 HE ARG 13 -4.722 0.414 -8.629 80 HH11 ARG 13 HH11 ARG 13 -7.212 2.566 -9.814 81 HH12 ARG 13 HH12 ARG 13 -6.724 2.428 -11.481 82 HH21 ARG 13 HH21 ARG 13 -4.090 0.202 -10.818 83 HH22 ARG 13 HH22 ARG 13 -4.971 1.057 -12.050 84 H LEU 14 H LEU 14 -3.518 -0.259 -3.427 85 HA LEU 14 HA LEU 14 -4.418 2.096 -2.002 86 HB2 LEU 14 HB2 LEU 14 -3.020 0.376 -0.898 87 HB3 LEU 14 HB3 LEU 14 -1.720 0.730 -2.017 88 HG LEU 14 HG LEU 14 -1.529 2.995 -1.089 89 HD11 LEU 14 HD11 LEU 14 -3.865 3.307 -0.433 90 HD12 LEU 14 HD12 LEU 14 -3.669 2.098 0.837 91 HD13 LEU 14 HD13 LEU 14 -2.772 3.614 0.917 92 HD21 LEU 14 HD21 LEU 14 -1.470 0.786 0.963 93 HD22 LEU 14 HD22 LEU 14 -0.161 1.244 -0.127 94 HD23 LEU 14 HD23 LEU 14 -0.686 2.355 1.140 95 H CYS 15 H CYS 15 -4.304 4.035 -2.919 96 HA CYS 15 HA CYS 15 -2.795 4.262 -5.402 97 HB2 CYS 15 HB2 CYS 15 -4.837 6.151 -4.215 98 HB3 CYS 15 HB3 CYS 15 -4.205 6.184 -5.858 99 HG CYS 15 HG CYS 15 -6.960 5.028 -5.197 100 H CYS 16 H CYS 16 -0.890 5.253 -5.444 101 HA CYS 16 HA CYS 16 -0.179 7.059 -3.266 102 HB2 CYS 16 HB2 CYS 16 1.427 5.284 -3.966 103 HB3 CYS 16 HB3 CYS 16 1.528 6.042 -5.551 104 HG CYS 16 HG CYS 16 3.170 7.962 -4.955 105 H LEU 17 H LEU 17 -0.885 9.042 -3.544 106 HA LEU 17 HA LEU 17 -1.092 10.180 -6.229 107 HB2 LEU 17 HB2 LEU 17 -2.123 11.106 -3.549 108 HB3 LEU 17 HB3 LEU 17 -2.249 12.067 -5.005 109 HG LEU 17 HG LEU 17 -3.565 10.127 -6.002 110 HD11 LEU 17 HD11 LEU 17 -3.713 9.317 -3.109 111 HD12 LEU 17 HD12 LEU 17 -4.669 8.636 -4.429 112 HD13 LEU 17 HD13 LEU 17 -2.918 8.414 -4.400 113 HD21 LEU 17 HD21 LEU 17 -4.677 11.638 -3.651 114 HD22 LEU 17 HD22 LEU 17 -4.622 12.188 -5.326 115 HD23 LEU 17 HD23 LEU 17 -5.637 10.816 -4.882 116 H GLU 18 H GLU 18 -0.120 12.166 -6.770 117 HA GLU 18 HA GLU 18 2.205 12.803 -5.093 118 HB2 GLU 18 HB2 GLU 18 1.828 13.173 -8.064 119 HB3 GLU 18 HB3 GLU 18 3.245 13.685 -7.159 120 HG2 GLU 18 HG2 GLU 18 3.464 11.248 -6.453 121 HG3 GLU 18 HG3 GLU 18 2.299 10.903 -7.733 122 H LYS 19 H LYS 19 2.759 14.900 -4.707 123 HA LYS 19 HA LYS 19 0.612 16.767 -4.516 124 HB2 LYS 19 HB2 LYS 19 2.344 16.636 -2.806 125 HB3 LYS 19 HB3 LYS 19 3.574 17.063 -3.986 126 HG2 LYS 19 HG2 LYS 19 3.104 18.981 -2.659 127 HG3 LYS 19 HG3 LYS 19 2.447 19.261 -4.270 128 HD2 LYS 19 HD2 LYS 19 0.899 20.001 -2.535 129 HD3 LYS 19 HD3 LYS 19 0.222 18.671 -3.476 130 HE2 LYS 19 HE2 LYS 19 -0.198 18.425 -1.067 131 HE3 LYS 19 HE3 LYS 19 0.766 17.102 -1.717 132 HZ1 LYS 19 HZ1 LYS 19 1.594 17.937 0.430 133 HZ2 LYS 19 HZ2 LYS 19 2.746 18.086 -0.801 134 HZ3 LYS 19 HZ3 LYS 19 1.885 19.450 -0.274 135 H GLY 20 H GLY 20 -0.117 17.492 -6.403 136 HA2 GLY 20 HA2 GLY 20 1.775 18.480 -8.420 137 HA3 GLY 20 HA3 GLY 20 0.054 18.214 -8.658 138 HA PRO 21 HA PRO 21 -0.193 22.649 -8.233 139 HB2 PRO 21 HB2 PRO 21 -2.863 22.902 -8.474 140 HB3 PRO 21 HB3 PRO 21 -1.833 22.494 -9.853 141 HG2 PRO 21 HG2 PRO 21 -3.489 20.691 -8.128 142 HG3 PRO 21 HG3 PRO 21 -3.330 20.708 -9.895 143 HD2 PRO 21 HD2 PRO 21 -1.981 18.958 -8.308 144 HD3 PRO 21 HD3 PRO 21 -1.337 19.556 -9.851 145 H ASN 22 H ASN 22 0.483 21.967 -5.916 146 HA ASN 22 HA ASN 22 0.304 22.219 -3.664 147 HB2 ASN 22 HB2 ASN 22 -1.942 24.083 -4.455 148 HB3 ASN 22 HB3 ASN 22 -1.331 23.925 -2.814 149 HD21 ASN 22 HD21 ASN 22 -0.834 25.256 -5.924 150 HD22 ASN 22 HD22 ASN 22 0.596 26.166 -5.553 151 H GLY 23 H GLY 23 -1.053 20.038 -4.915 152 HA2 GLY 23 HA2 GLY 23 -2.492 18.975 -2.784 153 HA3 GLY 23 HA3 GLY 23 -3.661 19.655 -3.911 154 H TYR 24 H TYR 24 -4.497 17.584 -4.364 155 HA TYR 24 HA TYR 24 -2.668 15.870 -5.923 156 HB2 TYR 24 HB2 TYR 24 -4.846 14.916 -4.049 157 HB3 TYR 24 HB3 TYR 24 -3.733 13.902 -4.967 158 HD1 TYR 24 HD1 TYR 24 -1.190 14.363 -4.542 159 HD2 TYR 24 HD2 TYR 24 -4.297 15.477 -1.859 160 HE1 TYR 24 HE1 TYR 24 0.449 14.519 -2.723 161 HE2 TYR 24 HE2 TYR 24 -2.668 15.621 -0.024 162 HH TYR 24 HH TYR 24 -0.465 14.768 0.563 163 H GLY 25 H GLY 25 -5.751 17.396 -5.649 164 HA2 GLY 25 HA2 GLY 25 -6.662 18.127 -7.766 165 HA3 GLY 25 HA3 GLY 25 -6.180 16.586 -8.452 166 H PHE 26 H PHE 26 -7.886 17.009 -5.364 167 HA PHE 26 HA PHE 26 -10.416 16.447 -6.665 168 HB2 PHE 26 HB2 PHE 26 -10.950 14.494 -5.277 169 HB3 PHE 26 HB3 PHE 26 -9.560 14.185 -6.316 170 HD1 PHE 26 HD2 PHE 26 -7.272 14.165 -5.317 171 HD2 PHE 26 HD1 PHE 26 -10.791 14.357 -2.932 172 HE1 PHE 26 HE2 PHE 26 -5.980 13.444 -3.355 173 HE2 PHE 26 HE1 PHE 26 -9.500 13.634 -0.967 174 HZ PHE 26 HZ PHE 26 -7.093 13.177 -1.176 175 H HIS 27 H HIS 27 -12.227 16.816 -5.342 176 HA HIS 27 HA HIS 27 -11.632 18.420 -2.944 177 HB2 HIS 27 HB2 HIS 27 -14.158 18.290 -4.617 178 HB3 HIS 27 HB3 HIS 27 -13.941 19.294 -3.191 179 HD1 HIS 27 HD1 HIS 27 -13.406 21.638 -3.715 180 HD2 HIS 27 HD2 HIS 27 -12.094 19.047 -6.700 181 HE1 HIS 27 HE1 HIS 27 -12.446 23.104 -5.519 182 HE2 HIS 27 HE2 HIS 27 -11.698 21.525 -7.338 183 H LEU 28 H LEU 28 -12.021 17.456 -1.019 184 HA LEU 28 HA LEU 28 -13.654 15.020 -1.076 185 HB2 LEU 28 HB2 LEU 28 -11.250 15.069 -0.149 186 HB3 LEU 28 HB3 LEU 28 -11.927 15.933 1.217 187 HG LEU 28 HG LEU 28 -13.035 13.257 0.406 188 HD11 LEU 28 HD11 LEU 28 -11.513 12.190 1.971 189 HD12 LEU 28 HD12 LEU 28 -10.618 12.970 0.668 190 HD13 LEU 28 HD13 LEU 28 -10.701 13.730 2.256 191 HD21 LEU 28 HD21 LEU 28 -13.660 13.140 2.753 192 HD22 LEU 28 HD22 LEU 28 -12.867 14.686 3.059 193 HD23 LEU 28 HD23 LEU 28 -14.291 14.616 2.021 194 H HIS 29 H HIS 29 -15.626 15.082 -0.326 195 HA HIS 29 HA HIS 29 -16.438 17.393 1.301 196 HB2 HIS 29 HB2 HIS 29 -17.647 17.438 -0.749 197 HB3 HIS 29 HB3 HIS 29 -17.913 15.699 -0.724 198 HD1 HIS 29 HD1 HIS 29 -18.983 18.784 1.228 199 HD2 HIS 29 HD2 HIS 29 -20.306 14.964 0.266 200 HE1 HIS 29 HE1 HIS 29 -21.314 18.614 2.180 201 HE2 HIS 29 HE2 HIS 29 -22.077 16.271 1.631 202 H GLY 30 H GLY 30 -17.351 17.031 3.250 203 HA2 GLY 30 HA2 GLY 30 -17.985 14.245 3.932 204 HA3 GLY 30 HA3 GLY 30 -16.861 15.147 4.938 205 H GLU 31 H GLU 31 -19.478 13.948 5.539 206 HA GLU 31 HA GLU 31 -21.159 16.220 6.147 207 HB2 GLU 31 HB2 GLU 31 -21.347 13.356 7.124 208 HB3 GLU 31 HB3 GLU 31 -22.607 14.577 7.241 209 HG2 GLU 31 HG2 GLU 31 -22.542 14.687 4.713 210 HG3 GLU 31 HG3 GLU 31 -21.547 13.237 4.773 211 H LYS 32 H LYS 32 -21.431 17.111 8.204 212 HA LYS 32 HA LYS 32 -18.987 17.301 9.616 213 HB2 LYS 32 HB2 LYS 32 -20.663 19.149 9.301 214 HB3 LYS 32 HB3 LYS 32 -21.670 18.357 10.506 215 HG2 LYS 32 HG2 LYS 32 -20.375 20.185 11.471 216 HG3 LYS 32 HG3 LYS 32 -19.925 18.630 12.174 217 HD2 LYS 32 HD2 LYS 32 -17.959 18.527 10.748 218 HD3 LYS 32 HD3 LYS 32 -18.418 20.044 9.972 219 HE2 LYS 32 HE2 LYS 32 -17.774 19.713 12.902 220 HE3 LYS 32 HE3 LYS 32 -16.658 20.330 11.684 221 HZ1 LYS 32 HZ1 LYS 32 -19.249 21.565 12.453 222 HZ2 LYS 32 HZ2 LYS 32 -17.710 22.128 12.891 223 HZ3 LYS 32 HZ3 LYS 32 -18.191 22.156 11.265 224 H GLY 33 H GLY 33 -18.440 15.367 10.487 225 HA2 GLY 33 HA2 GLY 33 -19.312 14.825 13.110 226 HA3 GLY 33 HA3 GLY 33 -20.027 13.654 12.005 227 H LYS 34 H LYS 34 -18.920 11.823 12.261 228 HA LYS 34 HA LYS 34 -15.972 11.976 12.275 229 HB2 LYS 34 HB2 LYS 34 -17.740 9.781 13.386 230 HB3 LYS 34 HB3 LYS 34 -15.984 9.840 13.468 231 HG2 LYS 34 HG2 LYS 34 -16.083 11.777 14.910 232 HG3 LYS 34 HG3 LYS 34 -17.842 11.820 14.766 233 HD2 LYS 34 HD2 LYS 34 -17.922 9.553 15.777 234 HD3 LYS 34 HD3 LYS 34 -16.177 9.647 16.027 235 HE2 LYS 34 HE2 LYS 34 -16.470 11.602 17.445 236 HE3 LYS 34 HE3 LYS 34 -18.209 11.564 17.159 237 HZ1 LYS 34 HZ1 LYS 34 -17.840 10.553 19.238 238 HZ2 LYS 34 HZ2 LYS 34 -18.167 9.282 18.166 239 HZ3 LYS 34 HZ3 LYS 34 -16.575 9.591 18.651 240 H LEU 35 H LEU 35 -18.531 9.634 11.501 241 HA LEU 35 HA LEU 35 -16.950 8.667 9.255 242 HB2 LEU 35 HB2 LEU 35 -19.610 7.674 10.286 243 HB3 LEU 35 HB3 LEU 35 -18.573 6.862 9.132 244 HG LEU 35 HG LEU 35 -17.908 7.348 12.037 245 HD11 LEU 35 HD11 LEU 35 -18.671 4.826 10.579 246 HD12 LEU 35 HD12 LEU 35 -18.157 4.927 12.265 247 HD13 LEU 35 HD13 LEU 35 -19.664 5.691 11.754 248 HD21 LEU 35 HD21 LEU 35 -16.419 5.788 9.932 249 HD22 LEU 35 HD22 LEU 35 -15.924 7.342 10.603 250 HD23 LEU 35 HD23 LEU 35 -15.983 5.913 11.637 251 H GLY 36 H GLY 36 -17.281 9.373 7.253 252 HA2 GLY 36 HA2 GLY 36 -19.329 9.545 5.656 253 HA3 GLY 36 HA3 GLY 36 -19.731 10.901 6.698 254 H GLN 37 H GLN 37 -16.628 9.808 5.355 255 HA GLN 37 HA GLN 37 -16.356 12.458 4.113 256 HB2 GLN 37 HB2 GLN 37 -13.870 11.985 4.170 257 HB3 GLN 37 HB3 GLN 37 -14.633 12.265 5.723 258 HG2 GLN 37 HG2 GLN 37 -14.042 9.518 4.645 259 HG3 GLN 37 HG3 GLN 37 -12.916 10.437 5.640 260 HE21 GLN 37 HE21 GLN 37 -13.493 10.893 7.812 261 HE22 GLN 37 HE22 GLN 37 -14.639 9.911 8.651 262 H TYR 38 H TYR 38 -16.510 12.519 1.991 263 HA TYR 38 HA TYR 38 -15.717 10.163 0.410 264 HB2 TYR 38 HB2 TYR 38 -18.254 11.754 -0.052 265 HB3 TYR 38 HB3 TYR 38 -17.725 10.337 -0.947 266 HD1 TYR 38 HD2 TYR 38 -17.948 8.105 0.010 267 HD2 TYR 38 HD1 TYR 38 -19.259 11.547 2.137 268 HE1 TYR 38 HE2 TYR 38 -19.230 6.667 1.538 269 HE2 TYR 38 HE1 TYR 38 -20.544 10.119 3.668 270 HH TYR 38 HH TYR 38 -21.497 7.974 3.817 271 H ILE 39 H ILE 39 -15.480 10.687 -1.906 272 HA ILE 39 HA ILE 39 -14.306 13.328 -2.263 273 HB ILE 39 HB ILE 39 -14.490 11.109 -4.300 274 HG12 ILE 39 HG12 ILE 39 -13.369 10.225 -2.316 275 HG13 ILE 39 HG13 ILE 39 -12.205 10.465 -3.614 276 HG21 ILE 39 HG21 ILE 39 -13.953 13.334 -5.164 277 HG22 ILE 39 HG22 ILE 39 -12.593 13.435 -4.043 278 HG23 ILE 39 HG23 ILE 39 -12.589 12.224 -5.325 279 HD11 ILE 39 HD11 ILE 39 -11.481 12.550 -2.555 280 HD12 ILE 39 HD12 ILE 39 -12.628 12.268 -1.245 281 HD13 ILE 39 HD13 ILE 39 -11.284 11.156 -1.492 282 H ARG 40 H ARG 40 -15.298 14.975 -3.352 283 HA ARG 40 HA ARG 40 -18.016 14.397 -4.300 284 HB2 ARG 40 HB2 ARG 40 -18.510 16.735 -4.057 285 HB3 ARG 40 HB3 ARG 40 -17.690 16.203 -2.596 286 HG2 ARG 40 HG2 ARG 40 -15.842 17.468 -3.003 287 HG3 ARG 40 HG3 ARG 40 -16.023 17.364 -4.754 288 HD2 ARG 40 HD2 ARG 40 -16.477 19.603 -4.204 289 HD3 ARG 40 HD3 ARG 40 -18.044 18.858 -4.502 290 HE ARG 40 HE ARG 40 -17.256 18.879 -1.728 291 HH11 ARG 40 HH11 ARG 40 -18.845 20.658 -4.291 292 HH12 ARG 40 HH12 ARG 40 -19.765 21.651 -3.199 293 HH21 ARG 40 HH21 ARG 40 -18.422 20.208 -0.297 294 HH22 ARG 40 HH22 ARG 40 -19.549 21.376 -0.930 295 H LEU 41 H LEU 41 -14.921 15.584 -5.418 296 HA LEU 41 HA LEU 41 -15.781 15.429 -8.157 297 HB2 LEU 41 HB2 LEU 41 -16.619 17.657 -7.431 298 HB3 LEU 41 HB3 LEU 41 -14.974 18.114 -7.034 299 HG LEU 41 HG LEU 41 -14.370 17.769 -9.441 300 HD11 LEU 41 HD11 LEU 41 -17.359 17.569 -9.780 301 HD12 LEU 41 HD12 LEU 41 -16.176 17.694 -11.080 302 HD13 LEU 41 HD13 LEU 41 -16.198 16.270 -10.043 303 HD21 LEU 41 HD21 LEU 41 -14.805 19.989 -8.527 304 HD22 LEU 41 HD22 LEU 41 -15.368 19.864 -10.194 305 HD23 LEU 41 HD23 LEU 41 -16.527 19.797 -8.865 306 H VAL 42 H VAL 42 -14.122 14.869 -9.389 307 HA VAL 42 HA VAL 42 -11.384 15.503 -8.497 308 HB VAL 42 HB VAL 42 -12.295 12.997 -9.942 309 HG11 VAL 42 HG11 VAL 42 -9.976 12.238 -9.683 310 HG12 VAL 42 HG12 VAL 42 -10.090 13.686 -10.684 311 HG13 VAL 42 HG13 VAL 42 -9.546 13.810 -9.010 312 HG21 VAL 42 HG21 VAL 42 -12.902 12.957 -7.588 313 HG22 VAL 42 HG22 VAL 42 -11.607 11.808 -7.920 314 HG23 VAL 42 HG23 VAL 42 -11.243 13.348 -7.142 315 H GLU 43 H GLU 43 -10.109 16.470 -10.031 316 HA GLU 43 HA GLU 43 -11.389 17.167 -12.530 317 HB2 GLU 43 HB2 GLU 43 -9.451 18.601 -12.901 318 HB3 GLU 43 HB3 GLU 43 -10.107 18.859 -11.291 319 HG2 GLU 43 HG2 GLU 43 -8.245 16.945 -10.823 320 HG3 GLU 43 HG3 GLU 43 -7.502 17.868 -12.131 321 HA PRO 44 HA PRO 44 -10.060 13.874 -14.903 322 HB2 PRO 44 HB2 PRO 44 -9.676 15.028 -17.343 323 HB3 PRO 44 HB3 PRO 44 -11.269 14.746 -16.634 324 HG2 PRO 44 HG2 PRO 44 -9.641 17.253 -16.704 325 HG3 PRO 44 HG3 PRO 44 -11.381 17.038 -16.963 326 HD2 PRO 44 HD2 PRO 44 -10.366 17.937 -14.626 327 HD3 PRO 44 HD3 PRO 44 -11.833 16.937 -14.702 328 H GLY 45 H GLY 45 -7.881 16.599 -14.791 329 HA2 GLY 45 HA2 GLY 45 -5.695 14.797 -15.637 330 HA3 GLY 45 HA3 GLY 45 -5.682 16.535 -15.897 331 H SER 46 H SER 46 -6.372 14.484 -13.055 332 HA SER 46 HA SER 46 -4.398 16.095 -11.577 333 HB2 SER 46 HB2 SER 46 -5.677 15.414 -9.546 334 HB3 SER 46 HB3 SER 46 -6.638 16.360 -10.685 335 HG SER 46 HG SER 46 -7.899 14.704 -10.999 336 HA PRO 47 HA PRO 47 -1.920 12.458 -10.551 337 HB2 PRO 47 HB2 PRO 47 -2.203 13.499 -7.768 338 HB3 PRO 47 HB3 PRO 47 -0.746 13.003 -8.638 339 HG2 PRO 47 HG2 PRO 47 -1.286 15.581 -8.271 340 HG3 PRO 47 HG3 PRO 47 -0.601 15.006 -9.802 341 HD2 PRO 47 HD2 PRO 47 -3.394 15.842 -9.172 342 HD3 PRO 47 HD3 PRO 47 -2.466 16.047 -10.672 343 H ALA 48 H ALA 48 -4.688 13.407 -8.563 344 HA ALA 48 HA ALA 48 -5.173 10.951 -7.303 345 HB1 ALA 48 HB1 ALA 48 -7.428 11.813 -6.905 346 HB2 ALA 48 HB2 ALA 48 -6.205 13.040 -6.578 347 HB3 ALA 48 HB3 ALA 48 -7.143 13.104 -8.071 348 H GLU 49 H GLU 49 -6.528 12.329 -10.280 349 HA GLU 49 HA GLU 49 -8.309 10.327 -10.980 350 HB2 GLU 49 HB2 GLU 49 -7.688 12.676 -11.989 351 HB3 GLU 49 HB3 GLU 49 -6.615 11.736 -13.011 352 HG2 GLU 49 HG2 GLU 49 -9.586 11.521 -12.815 353 HG3 GLU 49 HG3 GLU 49 -8.645 12.164 -14.148 354 H LYS 50 H LYS 50 -5.000 10.806 -12.057 355 HA LYS 50 HA LYS 50 -4.701 8.436 -13.502 356 HB2 LYS 50 HB2 LYS 50 -2.576 10.040 -12.079 357 HB3 LYS 50 HB3 LYS 50 -2.288 8.860 -13.351 358 HG2 LYS 50 HG2 LYS 50 -3.525 10.225 -14.930 359 HG3 LYS 50 HG3 LYS 50 -3.889 11.390 -13.656 360 HD2 LYS 50 HD2 LYS 50 -1.137 10.688 -14.676 361 HD3 LYS 50 HD3 LYS 50 -2.041 12.156 -15.056 362 HE2 LYS 50 HE2 LYS 50 -2.053 12.729 -12.655 363 HE3 LYS 50 HE3 LYS 50 -1.076 11.299 -12.330 364 HZ1 LYS 50 HZ1 LYS 50 -0.305 13.676 -13.928 365 HZ2 LYS 50 HZ2 LYS 50 0.352 13.173 -12.447 366 HZ3 LYS 50 HZ3 LYS 50 0.622 12.255 -13.845 367 H ALA 51 H ALA 51 -4.138 9.112 -10.080 368 HA ALA 51 HA ALA 51 -2.874 6.673 -9.434 369 HB1 ALA 51 HB1 ALA 51 -3.380 7.214 -7.125 370 HB2 ALA 51 HB2 ALA 51 -2.842 8.661 -7.978 371 HB3 ALA 51 HB3 ALA 51 -4.558 8.421 -7.638 372 H GLY 52 H GLY 52 -6.190 7.507 -9.987 373 HA2 GLY 52 HA2 GLY 52 -7.657 5.657 -10.616 374 HA3 GLY 52 HA3 GLY 52 -6.930 4.725 -9.316 375 H LEU 53 H LEU 53 -7.402 7.928 -8.422 376 HA LEU 53 HA LEU 53 -9.543 7.180 -6.638 377 HB2 LEU 53 HB2 LEU 53 -7.546 8.634 -6.052 378 HB3 LEU 53 HB3 LEU 53 -8.285 9.896 -7.013 379 HG LEU 53 HG LEU 53 -9.876 8.687 -4.797 380 HD11 LEU 53 HD11 LEU 53 -8.884 10.275 -3.223 381 HD12 LEU 53 HD12 LEU 53 -7.704 9.093 -3.795 382 HD13 LEU 53 HD13 LEU 53 -7.694 10.734 -4.442 383 HD21 LEU 53 HD21 LEU 53 -10.785 10.930 -4.664 384 HD22 LEU 53 HD22 LEU 53 -9.618 11.500 -5.858 385 HD23 LEU 53 HD23 LEU 53 -10.866 10.344 -6.327 386 H LEU 54 H LEU 54 -11.645 7.614 -6.892 387 HA LEU 54 HA LEU 54 -12.429 9.050 -9.347 388 HB2 LEU 54 HB2 LEU 54 -13.893 6.952 -7.746 389 HB3 LEU 54 HB3 LEU 54 -14.532 7.755 -9.168 390 HG LEU 54 HG LEU 54 -12.076 5.995 -9.141 391 HD11 LEU 54 HD11 LEU 54 -14.109 4.725 -8.695 392 HD12 LEU 54 HD12 LEU 54 -14.869 5.434 -10.120 393 HD13 LEU 54 HD13 LEU 54 -13.473 4.371 -10.302 394 HD21 LEU 54 HD21 LEU 54 -13.620 7.245 -11.410 395 HD22 LEU 54 HD22 LEU 54 -12.003 7.701 -10.876 396 HD23 LEU 54 HD23 LEU 54 -12.282 6.110 -11.582 397 H ALA 55 H ALA 55 -14.470 10.221 -9.272 398 HA ALA 55 HA ALA 55 -14.522 11.952 -6.959 399 HB1 ALA 55 HB1 ALA 55 -14.665 12.898 -9.189 400 HB2 ALA 55 HB2 ALA 55 -16.156 12.008 -9.491 401 HB3 ALA 55 HB3 ALA 55 -16.120 13.275 -8.265 402 H GLY 56 H GLY 56 -15.312 9.419 -6.208 403 HA2 GLY 56 HA2 GLY 56 -17.735 10.028 -4.855 404 HA3 GLY 56 HA3 GLY 56 -18.032 8.876 -6.151 405 H ASP 57 H ASP 57 -14.979 8.917 -4.510 406 HA ASP 57 HA ASP 57 -15.536 6.231 -3.509 407 HB2 ASP 57 HB2 ASP 57 -12.943 7.770 -3.755 408 HB3 ASP 57 HB3 ASP 57 -13.076 6.149 -3.090 409 H ARG 58 H ARG 58 -14.943 5.625 -1.359 410 HA ARG 58 HA ARG 58 -14.981 7.869 0.545 411 HB2 ARG 58 HB2 ARG 58 -16.708 6.001 0.716 412 HB3 ARG 58 HB3 ARG 58 -15.382 4.941 1.177 413 HG2 ARG 58 HG2 ARG 58 -14.903 6.472 3.077 414 HG3 ARG 58 HG3 ARG 58 -16.354 7.380 2.648 415 HD2 ARG 58 HD2 ARG 58 -17.071 5.924 4.330 416 HD3 ARG 58 HD3 ARG 58 -17.580 5.141 2.833 417 HE ARG 58 HE ARG 58 -15.063 4.357 4.126 418 HH11 ARG 58 HH11 ARG 58 -18.328 3.567 3.130 419 HH12 ARG 58 HH12 ARG 58 -18.090 1.843 3.290 420 HH21 ARG 58 HH21 ARG 58 -14.761 2.113 4.379 421 HH22 ARG 58 HH22 ARG 58 -16.045 1.019 3.942 422 H LEU 59 H LEU 59 -13.151 8.356 1.590 423 HA LEU 59 HA LEU 59 -10.788 6.767 1.128 424 HB2 LEU 59 HB2 LEU 59 -10.709 9.231 1.096 425 HB3 LEU 59 HB3 LEU 59 -11.186 9.265 2.782 426 HG LEU 59 HG LEU 59 -9.085 8.069 3.362 427 HD11 LEU 59 HD11 LEU 59 -8.672 6.972 1.235 428 HD12 LEU 59 HD12 LEU 59 -8.419 8.535 0.459 429 HD13 LEU 59 HD13 LEU 59 -7.293 7.973 1.695 430 HD21 LEU 59 HD21 LEU 59 -8.747 10.659 1.860 431 HD22 LEU 59 HD22 LEU 59 -9.251 10.493 3.541 432 HD23 LEU 59 HD23 LEU 59 -7.627 10.004 3.054 433 H VAL 60 H VAL 60 -10.168 5.136 2.396 434 HA VAL 60 HA VAL 60 -11.463 4.905 5.009 435 HB VAL 60 HB VAL 60 -10.745 2.530 4.972 436 HG11 VAL 60 HG11 VAL 60 -12.328 3.435 2.572 437 HG12 VAL 60 HG12 VAL 60 -12.346 1.814 3.269 438 HG13 VAL 60 HG13 VAL 60 -12.962 3.182 4.198 439 HG21 VAL 60 HG21 VAL 60 -9.951 1.571 2.852 440 HG22 VAL 60 HG22 VAL 60 -9.813 3.196 2.183 441 HG23 VAL 60 HG23 VAL 60 -8.795 2.713 3.540 442 H GLU 61 H GLU 61 -8.209 4.920 3.563 443 HA GLU 61 HA GLU 61 -7.153 5.486 6.213 444 HB2 GLU 61 HB2 GLU 61 -5.474 3.753 6.155 445 HB3 GLU 61 HB3 GLU 61 -7.067 3.027 6.011 446 HG2 GLU 61 HG2 GLU 61 -6.757 2.718 3.644 447 HG3 GLU 61 HG3 GLU 61 -5.211 3.563 3.708 448 H VAL 62 H VAL 62 -4.955 6.203 6.223 449 HA VAL 62 HA VAL 62 -3.960 7.197 3.631 450 HB VAL 62 HB VAL 62 -3.884 8.693 6.264 451 HG11 VAL 62 HG11 VAL 62 -1.878 9.081 4.940 452 HG12 VAL 62 HG12 VAL 62 -2.867 9.498 3.539 453 HG13 VAL 62 HG13 VAL 62 -2.892 10.524 4.974 454 HG21 VAL 62 HG21 VAL 62 -5.414 9.315 3.740 455 HG22 VAL 62 HG22 VAL 62 -6.103 8.749 5.262 456 HG23 VAL 62 HG23 VAL 62 -5.331 10.332 5.180 457 H ASN 63 H ASN 63 -2.057 6.315 3.226 458 HA ASN 63 HA ASN 63 0.022 5.436 3.439 459 HB2 ASN 63 HB2 ASN 63 0.026 7.415 5.709 460 HB3 ASN 63 HB3 ASN 63 1.444 6.444 5.333 461 HD21 ASN 63 HD21 ASN 63 2.682 8.220 4.761 462 HD22 ASN 63 HD22 ASN 63 2.409 9.122 3.311 463 H GLY 64 H GLY 64 -2.216 4.062 4.913 464 HA2 GLY 64 HA2 GLY 64 -1.816 1.785 5.601 465 HA3 GLY 64 HA3 GLY 64 -0.388 2.343 6.454 466 H GLU 65 H GLU 65 -2.343 4.689 7.333 467 HA GLU 65 HA GLU 65 -3.461 3.125 9.563 468 HB2 GLU 65 HB2 GLU 65 -3.422 5.224 10.869 469 HB3 GLU 65 HB3 GLU 65 -1.824 4.741 10.325 470 HG2 GLU 65 HG2 GLU 65 -2.170 6.365 8.396 471 HG3 GLU 65 HG3 GLU 65 -3.538 6.980 9.322 472 H ASN 66 H ASN 66 -5.586 3.293 10.094 473 HA ASN 66 HA ASN 66 -7.294 4.002 7.904 474 HB2 ASN 66 HB2 ASN 66 -7.689 1.988 9.255 475 HB3 ASN 66 HB3 ASN 66 -7.973 2.991 10.673 476 HD21 ASN 66 HD21 ASN 66 -9.893 4.149 10.839 477 HD22 ASN 66 HD22 ASN 66 -11.253 3.820 9.820 478 H VAL 67 H VAL 67 -8.499 5.765 7.621 479 HA VAL 67 HA VAL 67 -8.507 7.741 9.806 480 HB VAL 67 HB VAL 67 -8.487 9.511 8.109 481 HG11 VAL 67 HG11 VAL 67 -6.153 9.226 7.378 482 HG12 VAL 67 HG12 VAL 67 -6.382 8.806 9.075 483 HG13 VAL 67 HG13 VAL 67 -6.223 7.532 7.866 484 HG21 VAL 67 HG21 VAL 67 -8.132 7.256 6.137 485 HG22 VAL 67 HG22 VAL 67 -9.541 8.308 6.274 486 HG23 VAL 67 HG23 VAL 67 -7.989 8.975 5.767 487 H GLU 68 H GLU 68 -10.524 5.651 8.445 488 HA GLU 68 HA GLU 68 -12.782 7.052 7.617 489 HB2 GLU 68 HB2 GLU 68 -12.695 4.552 9.311 490 HB3 GLU 68 HB3 GLU 68 -14.120 5.157 8.488 491 HG2 GLU 68 HG2 GLU 68 -12.970 4.830 6.333 492 HG3 GLU 68 HG3 GLU 68 -11.604 4.128 7.206 493 H LYS 69 H LYS 69 -11.564 6.435 10.850 494 HA LYS 69 HA LYS 69 -14.003 7.505 12.036 495 HB2 LYS 69 HB2 LYS 69 -11.672 5.991 13.192 496 HB3 LYS 69 HB3 LYS 69 -12.904 6.740 14.200 497 HG2 LYS 69 HG2 LYS 69 -13.649 4.565 14.017 498 HG3 LYS 69 HG3 LYS 69 -14.569 5.404 12.771 499 HD2 LYS 69 HD2 LYS 69 -12.978 4.615 11.076 500 HD3 LYS 69 HD3 LYS 69 -12.075 3.760 12.329 501 HE2 LYS 69 HE2 LYS 69 -14.105 2.435 12.829 502 HE3 LYS 69 HE3 LYS 69 -14.931 3.245 11.502 503 HZ1 LYS 69 HZ1 LYS 69 -13.331 2.301 9.957 504 HZ2 LYS 69 HZ2 LYS 69 -12.496 1.555 11.234 505 HZ3 LYS 69 HZ3 LYS 69 -14.074 1.072 10.854 506 H GLU 70 H GLU 70 -11.526 8.874 10.759 507 HA GLU 70 HA GLU 70 -10.968 10.866 12.813 508 HB2 GLU 70 HB2 GLU 70 -10.171 10.738 9.892 509 HB3 GLU 70 HB3 GLU 70 -9.604 11.933 11.048 510 HG2 GLU 70 HG2 GLU 70 -9.149 8.990 11.392 511 HG3 GLU 70 HG3 GLU 70 -8.037 10.042 10.521 512 H THR 71 H THR 71 -11.743 13.030 12.656 513 HA THR 71 HA THR 71 -14.322 13.322 11.537 514 HB THR 71 HB THR 71 -14.279 15.592 12.260 515 HG1 THR 71 HG1 THR 71 -12.339 16.676 12.738 516 HG21 THR 71 HG21 THR 71 -13.419 15.445 14.563 517 HG22 THR 71 HG22 THR 71 -14.311 13.994 14.104 518 HG23 THR 71 HG23 THR 71 -12.546 13.973 14.132 519 H HIS 72 H HIS 72 -14.912 14.978 9.865 520 HA HIS 72 HA HIS 72 -13.680 14.380 7.455 521 HB2 HIS 72 HB2 HIS 72 -15.907 15.202 7.405 522 HB3 HIS 72 HB3 HIS 72 -15.457 16.687 8.237 523 HD1 HIS 72 HD1 HIS 72 -13.990 15.138 5.079 524 HD2 HIS 72 HD2 HIS 72 -15.802 18.632 6.394 525 HE1 HIS 72 HE1 HIS 72 -13.960 16.692 3.111 526 HE2 HIS 72 HE2 HIS 72 -15.349 18.657 3.841 527 H GLN 73 H GLN 73 -13.158 17.164 9.571 528 HA GLN 73 HA GLN 73 -11.379 18.521 7.833 529 HB2 GLN 73 HB2 GLN 73 -12.634 19.481 9.829 530 HB3 GLN 73 HB3 GLN 73 -11.423 18.714 10.845 531 HG2 GLN 73 HG2 GLN 73 -10.910 21.054 10.499 532 HG3 GLN 73 HG3 GLN 73 -9.674 20.029 9.769 533 HE21 GLN 73 HE21 GLN 73 -9.437 19.998 7.557 534 HE22 GLN 73 HE22 GLN 73 -10.243 21.114 6.510 535 H GLN 74 H GLN 74 -10.918 16.207 10.478 536 HA GLN 74 HA GLN 74 -8.101 16.403 10.553 537 HB2 GLN 74 HB2 GLN 74 -9.966 14.247 11.532 538 HB3 GLN 74 HB3 GLN 74 -8.230 14.225 11.809 539 HG2 GLN 74 HG2 GLN 74 -10.111 16.386 12.732 540 HG3 GLN 74 HG3 GLN 74 -9.486 15.078 13.732 541 HE21 GLN 74 HE21 GLN 74 -8.537 16.537 15.153 542 HE22 GLN 74 HE22 GLN 74 -7.100 17.417 14.747 543 H VAL 75 H VAL 75 -10.294 14.340 8.732 544 HA VAL 75 HA VAL 75 -8.423 12.532 7.698 545 HB VAL 75 HB VAL 75 -10.880 13.640 6.317 546 HG11 VAL 75 HG11 VAL 75 -10.818 11.591 4.987 547 HG12 VAL 75 HG12 VAL 75 -9.355 12.550 4.751 548 HG13 VAL 75 HG13 VAL 75 -9.316 11.119 5.782 549 HG21 VAL 75 HG21 VAL 75 -10.509 11.193 8.037 550 HG22 VAL 75 HG22 VAL 75 -11.454 12.629 8.434 551 HG23 VAL 75 HG23 VAL 75 -11.961 11.575 7.115 552 H VAL 76 H VAL 76 -9.328 15.774 6.654 553 HA VAL 76 HA VAL 76 -7.843 15.795 4.249 554 HB VAL 76 HB VAL 76 -8.559 18.171 5.974 555 HG11 VAL 76 HG11 VAL 76 -8.023 17.982 3.011 556 HG12 VAL 76 HG12 VAL 76 -8.478 19.438 3.897 557 HG13 VAL 76 HG13 VAL 76 -6.926 18.662 4.216 558 HG21 VAL 76 HG21 VAL 76 -10.545 16.858 5.536 559 HG22 VAL 76 HG22 VAL 76 -10.584 18.341 4.585 560 HG23 VAL 76 HG23 VAL 76 -10.165 16.811 3.814 561 H SER 77 H SER 77 -7.092 16.824 7.560 562 HA SER 77 HA SER 77 -4.514 17.801 7.072 563 HB2 SER 77 HB2 SER 77 -5.580 16.481 9.580 564 HB3 SER 77 HB3 SER 77 -4.139 17.495 9.479 565 HG SER 77 HG SER 77 -5.524 19.019 9.936 566 H ARG 78 H ARG 78 -5.690 14.527 7.658 567 HA ARG 78 HA ARG 78 -3.242 13.210 7.943 568 HB2 ARG 78 HB2 ARG 78 -5.850 12.290 6.735 569 HB3 ARG 78 HB3 ARG 78 -4.497 11.219 7.071 570 HG2 ARG 78 HG2 ARG 78 -5.795 12.909 9.181 571 HG3 ARG 78 HG3 ARG 78 -6.334 11.277 8.789 572 HD2 ARG 78 HD2 ARG 78 -4.121 10.407 9.313 573 HD3 ARG 78 HD3 ARG 78 -3.550 12.039 9.650 574 HE ARG 78 HE ARG 78 -5.809 11.103 11.230 575 HH11 ARG 78 HH11 ARG 78 -2.355 11.671 11.049 576 HH12 ARG 78 HH12 ARG 78 -2.124 11.533 12.768 577 HH21 ARG 78 HH21 ARG 78 -5.501 10.938 13.475 578 HH22 ARG 78 HH22 ARG 78 -3.905 11.105 14.139 579 H ILE 79 H ILE 79 -5.121 13.946 5.021 580 HA ILE 79 HA ILE 79 -3.324 12.683 3.213 581 HB ILE 79 HB ILE 79 -5.221 14.938 2.547 582 HG12 ILE 79 HG12 ILE 79 -5.823 11.973 2.620 583 HG13 ILE 79 HG13 ILE 79 -6.364 13.133 3.830 584 HG21 ILE 79 HG21 ILE 79 -5.299 13.857 0.350 585 HG22 ILE 79 HG22 ILE 79 -3.658 14.337 0.781 586 HG23 ILE 79 HG23 ILE 79 -4.144 12.646 0.909 587 HD11 ILE 79 HD11 ILE 79 -7.108 13.154 0.913 588 HD12 ILE 79 HD12 ILE 79 -8.128 12.604 2.242 589 HD13 ILE 79 HD13 ILE 79 -7.664 14.302 2.131 590 H ARG 80 H ARG 80 -3.662 15.953 4.443 591 HA ARG 80 HA ARG 80 -1.769 17.158 2.705 592 HB2 ARG 80 HB2 ARG 80 -2.869 18.053 5.369 593 HB3 ARG 80 HB3 ARG 80 -1.800 19.032 4.374 594 HG2 ARG 80 HG2 ARG 80 -3.490 18.865 2.542 595 HG3 ARG 80 HG3 ARG 80 -4.574 18.089 3.697 596 HD2 ARG 80 HD2 ARG 80 -5.079 20.451 3.549 597 HD3 ARG 80 HD3 ARG 80 -4.417 20.081 5.141 598 HE ARG 80 HE ARG 80 -2.250 20.844 3.648 599 HH11 ARG 80 HH11 ARG 80 -5.297 22.310 4.546 600 HH12 ARG 80 HH12 ARG 80 -4.700 23.939 4.436 601 HH21 ARG 80 HH21 ARG 80 -1.447 22.972 3.531 602 HH22 ARG 80 HH22 ARG 80 -2.493 24.317 3.874 603 H ALA 81 H ALA 81 -1.457 15.282 5.579 604 HA ALA 81 HA ALA 81 0.965 16.271 6.604 605 HB1 ALA 81 HB1 ALA 81 1.145 14.178 7.799 606 HB2 ALA 81 HB2 ALA 81 -0.530 14.730 7.816 607 HB3 ALA 81 HB3 ALA 81 -0.040 13.431 6.727 608 H ALA 82 H ALA 82 0.336 14.502 3.767 609 HA ALA 82 HA ALA 82 2.951 13.350 3.476 610 HB1 ALA 82 HB1 ALA 82 0.978 12.320 2.453 611 HB2 ALA 82 HB2 ALA 82 0.763 13.747 1.441 612 HB3 ALA 82 HB3 ALA 82 2.194 12.737 1.246 613 H LEU 83 H LEU 83 4.609 14.079 2.203 614 HA LEU 83 HA LEU 83 4.696 16.929 1.774 615 HB2 LEU 83 HB2 LEU 83 6.773 14.805 1.227 616 HB3 LEU 83 HB3 LEU 83 7.043 16.535 1.156 617 HG LEU 83 HG LEU 83 6.311 14.992 3.647 618 HD11 LEU 83 HD11 LEU 83 8.935 16.198 2.785 619 HD12 LEU 83 HD12 LEU 83 8.603 15.439 4.343 620 HD13 LEU 83 HD13 LEU 83 8.560 14.477 2.864 621 HD21 LEU 83 HD21 LEU 83 7.123 17.877 3.303 622 HD22 LEU 83 HD22 LEU 83 5.489 17.309 3.647 623 HD23 LEU 83 HD23 LEU 83 6.774 17.060 4.828 624 H ASN 84 H ASN 84 5.667 14.229 -0.338 625 HA ASN 84 HA ASN 84 4.671 15.813 -2.618 626 HB2 ASN 84 HB2 ASN 84 6.519 15.108 -3.934 627 HB3 ASN 84 HB3 ASN 84 7.189 15.616 -2.391 628 HD21 ASN 84 HD21 ASN 84 6.666 12.999 -4.560 629 HD22 ASN 84 HD22 ASN 84 7.583 11.811 -3.693 630 H ALA 85 H ALA 85 4.753 12.764 -1.027 631 HA ALA 85 HA ALA 85 2.893 11.698 -3.032 632 HB1 ALA 85 HB1 ALA 85 5.051 10.711 -3.542 633 HB2 ALA 85 HB2 ALA 85 5.229 10.184 -1.868 634 HB3 ALA 85 HB3 ALA 85 3.965 9.488 -2.883 635 H VAL 86 H VAL 86 1.254 10.450 -2.221 636 HA VAL 86 HA VAL 86 1.250 9.837 0.646 637 HB VAL 86 HB VAL 86 0.138 12.040 0.380 638 HG11 VAL 86 HG11 VAL 86 -2.044 12.175 -0.746 639 HG12 VAL 86 HG12 VAL 86 -0.727 11.823 -1.866 640 HG13 VAL 86 HG13 VAL 86 -1.814 10.534 -1.351 641 HG21 VAL 86 HG21 VAL 86 -1.903 11.494 1.604 642 HG22 VAL 86 HG22 VAL 86 -1.728 9.802 1.140 643 HG23 VAL 86 HG23 VAL 86 -0.527 10.557 2.190 644 H ARG 87 H ARG 87 0.084 8.009 1.167 645 HA ARG 87 HA ARG 87 -0.948 6.478 -1.113 646 HB2 ARG 87 HB2 ARG 87 -0.046 5.699 1.652 647 HB3 ARG 87 HB3 ARG 87 -0.970 4.601 0.637 648 HG2 ARG 87 HG2 ARG 87 0.755 4.570 -1.019 649 HG3 ARG 87 HG3 ARG 87 1.653 5.832 -0.169 650 HD2 ARG 87 HD2 ARG 87 2.294 4.414 1.532 651 HD3 ARG 87 HD3 ARG 87 0.958 3.301 1.251 652 HE ARG 87 HE ARG 87 2.593 3.230 -1.007 653 HH11 ARG 87 HH11 ARG 87 2.867 2.497 2.405 654 HH12 ARG 87 HH12 ARG 87 3.932 1.140 2.160 655 HH21 ARG 87 HH21 ARG 87 3.963 1.438 -1.336 656 HH22 ARG 87 HH22 ARG 87 4.519 0.516 0.032 657 H LEU 88 H LEU 88 -3.024 6.812 -1.460 658 HA LEU 88 HA LEU 88 -4.824 7.028 0.864 659 HB2 LEU 88 HB2 LEU 88 -5.299 7.964 -1.968 660 HB3 LEU 88 HB3 LEU 88 -6.396 8.165 -0.618 661 HG LEU 88 HG LEU 88 -3.721 9.513 -0.997 662 HD11 LEU 88 HD11 LEU 88 -6.521 10.614 -0.824 663 HD12 LEU 88 HD12 LEU 88 -5.041 11.545 -1.058 664 HD13 LEU 88 HD13 LEU 88 -5.583 10.420 -2.307 665 HD21 LEU 88 HD21 LEU 88 -4.021 8.941 1.359 666 HD22 LEU 88 HD22 LEU 88 -4.207 10.679 1.111 667 HD23 LEU 88 HD23 LEU 88 -5.630 9.663 1.339 668 H LEU 89 H LEU 89 -6.100 5.341 1.212 669 HA LEU 89 HA LEU 89 -6.589 3.506 -1.022 670 HB2 LEU 89 HB2 LEU 89 -5.673 2.546 1.061 671 HB3 LEU 89 HB3 LEU 89 -7.095 3.101 1.922 672 HG LEU 89 HG LEU 89 -8.503 1.639 0.511 673 HD11 LEU 89 HD11 LEU 89 -7.457 -0.071 -0.872 674 HD12 LEU 89 HD12 LEU 89 -7.081 1.547 -1.467 675 HD13 LEU 89 HD13 LEU 89 -5.871 0.636 -0.562 676 HD21 LEU 89 HD21 LEU 89 -7.729 0.866 2.666 677 HD22 LEU 89 HD22 LEU 89 -7.777 -0.468 1.511 678 HD23 LEU 89 HD23 LEU 89 -6.236 0.275 1.938 679 H VAL 90 H VAL 90 -8.524 3.363 -1.918 680 HA VAL 90 HA VAL 90 -10.726 4.851 -0.668 681 HB VAL 90 HB VAL 90 -11.369 5.635 -2.969 682 HG11 VAL 90 HG11 VAL 90 -8.710 6.591 -1.926 683 HG12 VAL 90 HG12 VAL 90 -9.776 7.485 -3.008 684 HG13 VAL 90 HG13 VAL 90 -10.294 7.120 -1.363 685 HG21 VAL 90 HG21 VAL 90 -8.579 4.718 -3.667 686 HG22 VAL 90 HG22 VAL 90 -10.084 4.035 -4.284 687 HG23 VAL 90 HG23 VAL 90 -9.630 5.688 -4.699 688 H VAL 91 H VAL 91 -12.821 4.192 -1.262 689 HA VAL 91 HA VAL 91 -13.108 1.765 -2.840 690 HB VAL 91 HB VAL 91 -12.652 0.972 -0.537 691 HG11 VAL 91 HG11 VAL 91 -13.535 2.854 0.728 692 HG12 VAL 91 HG12 VAL 91 -15.173 2.455 0.207 693 HG13 VAL 91 HG13 VAL 91 -14.284 1.344 1.249 694 HG21 VAL 91 HG21 VAL 91 -14.565 -0.527 -0.329 695 HG22 VAL 91 HG22 VAL 91 -15.490 0.492 -1.433 696 HG23 VAL 91 HG23 VAL 91 -14.059 -0.364 -2.010 697 H ASP 92 H ASP 92 -15.011 1.750 -3.940 698 HA ASP 92 HA ASP 92 -16.883 3.857 -3.813 699 HB2 ASP 92 HB2 ASP 92 -16.991 1.082 -4.993 700 HB3 ASP 92 HB3 ASP 92 -18.405 2.126 -5.010 701 HA PRO 93 HA PRO 93 -18.947 2.707 -0.023 702 HB2 PRO 93 HB2 PRO 93 -21.107 4.390 -1.165 703 HB3 PRO 93 HB3 PRO 93 -20.296 4.506 0.401 704 HG2 PRO 93 HG2 PRO 93 -19.784 6.251 -1.560 705 HG3 PRO 93 HG3 PRO 93 -18.512 5.693 -0.456 706 HD2 PRO 93 HD2 PRO 93 -19.056 4.904 -3.283 707 HD3 PRO 93 HD3 PRO 93 -17.504 5.113 -2.446 708 H GLU 94 H GLU 94 -20.264 2.450 -3.244 709 HA GLU 94 HA GLU 94 -22.485 0.790 -2.624 710 HB2 GLU 94 HB2 GLU 94 -20.909 0.769 -5.197 711 HB3 GLU 94 HB3 GLU 94 -22.606 0.368 -4.969 712 HG2 GLU 94 HG2 GLU 94 -23.162 2.650 -4.566 713 HG3 GLU 94 HG3 GLU 94 -21.461 3.111 -4.533 714 H THR 95 H THR 95 -19.172 0.165 -3.698 715 HA THR 95 HA THR 95 -19.425 -2.668 -3.764 716 HB THR 95 HB THR 95 -16.853 -1.104 -3.528 717 HG1 THR 95 HG1 THR 95 -18.124 -1.783 -5.981 718 HG21 THR 95 HG21 THR 95 -17.539 -3.738 -4.835 719 HG22 THR 95 HG22 THR 95 -15.959 -2.956 -4.889 720 HG23 THR 95 HG23 THR 95 -16.614 -3.517 -3.350 721 H ASP 96 H ASP 96 -18.237 -0.329 -1.421 722 HA ASP 96 HA ASP 96 -16.906 -2.044 0.325 723 HB2 ASP 96 HB2 ASP 96 -16.602 0.316 0.532 724 HB3 ASP 96 HB3 ASP 96 -18.321 0.577 0.798 725 H GLU 97 H GLU 97 -20.327 -1.359 0.019 726 HA GLU 97 HA GLU 97 -21.135 -2.369 2.515 727 HB2 GLU 97 HB2 GLU 97 -22.547 -1.017 0.932 728 HB3 GLU 97 HB3 GLU 97 -22.745 -2.475 -0.033 729 HG2 GLU 97 HG2 GLU 97 -23.853 -3.592 1.766 730 HG3 GLU 97 HG3 GLU 97 -23.516 -2.255 2.864 731 H GLN 98 H GLN 98 -20.504 -3.954 -0.576 732 HA GLN 98 HA GLN 98 -21.369 -6.552 0.193 733 HB2 GLN 98 HB2 GLN 98 -21.100 -6.034 -2.147 734 HB3 GLN 98 HB3 GLN 98 -19.421 -5.575 -1.904 735 HG2 GLN 98 HG2 GLN 98 -19.593 -7.740 -2.975 736 HG3 GLN 98 HG3 GLN 98 -18.849 -7.879 -1.384 737 HE21 GLN 98 HE21 GLN 98 -21.731 -8.455 -3.251 738 HE22 GLN 98 HE22 GLN 98 -22.411 -9.641 -2.187 739 H LEU 99 H LEU 99 -18.319 -4.825 0.244 740 HA LEU 99 HA LEU 99 -16.669 -6.857 1.215 741 HB2 LEU 99 HB2 LEU 99 -16.578 -3.859 1.364 742 HB3 LEU 99 HB3 LEU 99 -15.335 -4.837 2.113 743 HG LEU 99 HG LEU 99 -14.892 -3.878 -0.223 744 HD11 LEU 99 HD11 LEU 99 -13.444 -5.502 0.818 745 HD12 LEU 99 HD12 LEU 99 -14.527 -6.812 0.351 746 HD13 LEU 99 HD13 LEU 99 -13.650 -5.907 -0.884 747 HD21 LEU 99 HD21 LEU 99 -16.982 -4.510 -1.287 748 HD22 LEU 99 HD22 LEU 99 -15.606 -5.255 -2.102 749 HD23 LEU 99 HD23 LEU 99 -16.614 -6.213 -1.017 750 H GLN 100 H GLN 100 -18.829 -4.619 2.848 751 HA GLN 100 HA GLN 100 -18.098 -5.222 5.505 752 HB2 GLN 100 HB2 GLN 100 -20.756 -4.338 4.369 753 HB3 GLN 100 HB3 GLN 100 -20.389 -4.418 6.086 754 HG2 GLN 100 HG2 GLN 100 -18.625 -2.756 5.782 755 HG3 GLN 100 HG3 GLN 100 -19.006 -2.672 4.062 756 HE21 GLN 100 HE21 GLN 100 -19.533 -0.492 4.162 757 HE22 GLN 100 HE22 GLN 100 -21.000 0.058 4.911 758 H LYS 101 H LYS 101 -20.297 -6.782 3.221 759 HA LYS 101 HA LYS 101 -21.486 -8.584 5.069 760 HB2 LYS 101 HB2 LYS 101 -21.058 -9.270 2.168 761 HB3 LYS 101 HB3 LYS 101 -22.382 -9.736 3.220 762 HG2 LYS 101 HG2 LYS 101 -21.885 -7.002 2.072 763 HG3 LYS 101 HG3 LYS 101 -23.128 -8.146 1.572 764 HD2 LYS 101 HD2 LYS 101 -24.139 -7.982 3.820 765 HD3 LYS 101 HD3 LYS 101 -22.920 -6.785 4.256 766 HE2 LYS 101 HE2 LYS 101 -23.715 -5.414 2.300 767 HE3 LYS 101 HE3 LYS 101 -25.054 -6.548 2.145 768 HZ1 LYS 101 HZ1 LYS 101 -25.776 -4.682 3.416 769 HZ2 LYS 101 HZ2 LYS 101 -25.657 -6.002 4.466 770 HZ3 LYS 101 HZ3 LYS 101 -24.455 -4.807 4.469 771 H LEU 102 H LEU 102 -18.642 -8.669 3.038 772 HA LEU 102 HA LEU 102 -17.921 -11.365 3.564 773 HB2 LEU 102 HB2 LEU 102 -16.026 -9.143 2.820 774 HB3 LEU 102 HB3 LEU 102 -15.845 -10.858 2.503 775 HG LEU 102 HG LEU 102 -17.816 -8.985 1.191 776 HD11 LEU 102 HD11 LEU 102 -15.451 -10.488 0.085 777 HD12 LEU 102 HD12 LEU 102 -16.555 -9.462 -0.831 778 HD13 LEU 102 HD13 LEU 102 -15.518 -8.755 0.408 779 HD21 LEU 102 HD21 LEU 102 -17.414 -11.938 0.711 780 HD22 LEU 102 HD22 LEU 102 -18.793 -11.219 1.546 781 HD23 LEU 102 HD23 LEU 102 -18.516 -10.870 -0.162 782 H GLY 103 H GLY 103 -16.812 -8.249 4.879 783 HA2 GLY 103 HA2 GLY 103 -16.481 -7.836 7.170 784 HA3 GLY 103 HA3 GLY 103 -16.402 -9.567 7.455 785 H VAL 104 H VAL 104 -14.453 -10.014 5.327 786 HA VAL 104 HA VAL 104 -12.111 -9.695 6.884 787 HB VAL 104 HB VAL 104 -12.359 -11.587 5.385 788 HG11 VAL 104 HG11 VAL 104 -12.221 -9.594 3.128 789 HG12 VAL 104 HG12 VAL 104 -12.227 -11.349 2.957 790 HG13 VAL 104 HG13 VAL 104 -13.640 -10.522 3.611 791 HG21 VAL 104 HG21 VAL 104 -10.164 -11.542 4.282 792 HG22 VAL 104 HG22 VAL 104 -10.074 -9.801 4.554 793 HG23 VAL 104 HG23 VAL 104 -10.090 -10.910 5.926 794 H GLN 105 H GLN 105 -10.542 -8.198 6.877 795 HA GLN 105 HA GLN 105 -10.946 -5.760 5.398 796 HB2 GLN 105 HB2 GLN 105 -8.779 -6.636 7.314 797 HB3 GLN 105 HB3 GLN 105 -8.856 -5.035 6.589 798 HG2 GLN 105 HG2 GLN 105 -11.074 -6.208 8.241 799 HG3 GLN 105 HG3 GLN 105 -9.775 -5.225 8.914 800 HE21 GLN 105 HE21 GLN 105 -12.702 -4.770 8.735 801 HE22 GLN 105 HE22 GLN 105 -12.875 -3.247 7.938 802 H VAL 106 H VAL 106 -10.800 -6.868 3.329 803 HA VAL 106 HA VAL 106 -8.428 -8.029 2.338 804 HB VAL 106 HB VAL 106 -10.684 -8.292 1.311 805 HG11 VAL 106 HG11 VAL 106 -11.562 -6.573 -0.164 806 HG12 VAL 106 HG12 VAL 106 -11.415 -5.963 1.484 807 HG13 VAL 106 HG13 VAL 106 -10.228 -5.501 0.264 808 HG21 VAL 106 HG21 VAL 106 -8.706 -8.907 0.043 809 HG22 VAL 106 HG22 VAL 106 -9.944 -8.240 -1.022 810 HG23 VAL 106 HG23 VAL 106 -8.556 -7.255 -0.556 811 H ARG 107 H ARG 107 -9.360 -4.802 2.904 812 HA ARG 107 HA ARG 107 -7.876 -3.414 0.974 813 HB2 ARG 107 HB2 ARG 107 -8.013 -1.530 2.697 814 HB3 ARG 107 HB3 ARG 107 -9.527 -2.187 2.090 815 HG2 ARG 107 HG2 ARG 107 -9.949 -3.349 4.082 816 HG3 ARG 107 HG3 ARG 107 -8.286 -3.156 4.645 817 HD2 ARG 107 HD2 ARG 107 -10.000 -0.754 4.142 818 HD3 ARG 107 HD3 ARG 107 -10.167 -1.666 5.644 819 HE ARG 107 HE ARG 107 -7.644 -0.398 4.753 820 HH11 ARG 107 HH11 ARG 107 -9.869 -1.431 7.255 821 HH12 ARG 107 HH12 ARG 107 -8.921 -0.772 8.553 822 HH21 ARG 107 HH21 ARG 107 -6.384 0.445 6.413 823 HH22 ARG 107 HH22 ARG 107 -6.904 0.286 8.071 824 H GLU 108 H GLU 108 -6.830 -5.064 3.806 825 HA GLU 108 HA GLU 108 -4.164 -3.872 3.441 826 HB2 GLU 108 HB2 GLU 108 -5.539 -4.760 5.961 827 HB3 GLU 108 HB3 GLU 108 -3.789 -4.652 5.865 828 HG2 GLU 108 HG2 GLU 108 -4.080 -2.254 5.177 829 HG3 GLU 108 HG3 GLU 108 -5.789 -2.432 5.591 830 H GLU 109 H GLU 109 -5.811 -6.792 4.635 831 HA GLU 109 HA GLU 109 -3.479 -8.292 4.940 832 HB2 GLU 109 HB2 GLU 109 -5.761 -8.709 5.958 833 HB3 GLU 109 HB3 GLU 109 -6.210 -9.450 4.429 834 HG2 GLU 109 HG2 GLU 109 -4.572 -11.160 4.690 835 HG3 GLU 109 HG3 GLU 109 -3.877 -10.350 6.094 836 H LEU 110 H LEU 110 -5.836 -8.383 2.254 837 HA LEU 110 HA LEU 110 -4.208 -10.277 0.814 838 HB2 LEU 110 HB2 LEU 110 -6.665 -10.313 0.640 839 HB3 LEU 110 HB3 LEU 110 -6.632 -8.724 -0.102 840 HG LEU 110 HG LEU 110 -5.363 -9.656 -2.009 841 HD11 LEU 110 HD11 LEU 110 -5.824 -12.298 -0.635 842 HD12 LEU 110 HD12 LEU 110 -5.173 -12.078 -2.257 843 HD13 LEU 110 HD13 LEU 110 -4.267 -11.500 -0.860 844 HD21 LEU 110 HD21 LEU 110 -7.927 -11.136 -1.435 845 HD22 LEU 110 HD22 LEU 110 -7.818 -9.493 -2.073 846 HD23 LEU 110 HD23 LEU 110 -7.208 -10.852 -3.020 847 H LEU 111 H LEU 111 -4.710 -6.833 0.840 848 HA LEU 111 HA LEU 111 -3.689 -6.165 -1.677 849 HB2 LEU 111 HB2 LEU 111 -4.904 -4.559 -0.354 850 HB3 LEU 111 HB3 LEU 111 -3.704 -4.635 0.921 851 HG LEU 111 HG LEU 111 -2.043 -3.635 -0.639 852 HD11 LEU 111 HD11 LEU 111 -3.041 -4.304 -2.752 853 HD12 LEU 111 HD12 LEU 111 -4.440 -3.278 -2.432 854 HD13 LEU 111 HD13 LEU 111 -2.851 -2.552 -2.679 855 HD21 LEU 111 HD21 LEU 111 -2.914 -1.386 -0.482 856 HD22 LEU 111 HD22 LEU 111 -4.545 -2.006 -0.235 857 HD23 LEU 111 HD23 LEU 111 -3.299 -2.287 0.983 858 H ARG 112 H ARG 112 -2.081 -6.842 1.357 859 HA ARG 112 HA ARG 112 0.504 -6.120 0.187 860 HB2 ARG 112 HB2 ARG 112 -0.129 -6.828 3.045 861 HB3 ARG 112 HB3 ARG 112 1.368 -6.128 2.434 862 HG2 ARG 112 HG2 ARG 112 0.112 -4.122 1.742 863 HG3 ARG 112 HG3 ARG 112 -1.345 -4.818 2.459 864 HD2 ARG 112 HD2 ARG 112 -0.070 -4.968 4.612 865 HD3 ARG 112 HD3 ARG 112 1.197 -4.020 3.838 866 HE ARG 112 HE ARG 112 -1.275 -2.688 3.551 867 HH11 ARG 112 HH11 ARG 112 1.178 -3.409 5.946 868 HH12 ARG 112 HH12 ARG 112 0.718 -2.090 6.989 869 HH21 ARG 112 HH21 ARG 112 -1.862 -0.965 4.893 870 HH22 ARG 112 HH22 ARG 112 -1.009 -0.700 6.382 871 H ALA 113 H ALA 113 -1.127 -8.540 -0.377 872 HA ALA 113 HA ALA 113 -0.854 -10.735 -0.842 873 HB1 ALA 113 HB1 ALA 113 1.360 -10.075 -1.668 874 HB2 ALA 113 HB2 ALA 113 2.030 -10.341 -0.057 875 HB3 ALA 113 HB3 ALA 113 1.364 -11.695 -0.971 876 H GLN 114 H GLN 114 -0.165 -12.906 0.210 877 HA GLN 114 HA GLN 114 -1.319 -12.873 2.823 878 HB2 GLN 114 HB2 GLN 114 -0.213 -15.065 1.091 879 HB3 GLN 114 HB3 GLN 114 -0.718 -15.375 2.747 880 HG2 GLN 114 HG2 GLN 114 -2.950 -14.684 2.268 881 HG3 GLN 114 HG3 GLN 114 -2.481 -14.140 0.666 882 HE21 GLN 114 HE21 GLN 114 -3.258 -16.855 2.660 883 HE22 GLN 114 HE22 GLN 114 -3.360 -18.019 1.382 884 H GLU 115 H GLU 115 -0.289 -14.257 4.569 885 HA GLU 115 HA GLU 115 2.087 -12.845 5.324 886 HB2 GLU 115 HB2 GLU 115 0.248 -13.439 6.916 887 HB3 GLU 115 HB3 GLU 115 0.745 -15.121 6.787 888 HG2 GLU 115 HG2 GLU 115 1.623 -14.029 8.797 889 HG3 GLU 115 HG3 GLU 115 2.903 -14.600 7.727 890 H ALA 116 H ALA 116 4.089 -13.732 5.878 891 HA ALA 116 HA ALA 116 5.984 -14.864 5.372 892 HB1 ALA 116 HB1 ALA 116 5.929 -17.286 5.499 893 HB2 ALA 116 HB2 ALA 116 4.899 -16.590 6.752 894 HB3 ALA 116 HB3 ALA 116 4.176 -17.280 5.299 895 HA PRO 117 HA PRO 117 5.061 -15.154 0.871 896 HB2 PRO 117 HB2 PRO 117 5.909 -12.681 0.119 897 HB3 PRO 117 HB3 PRO 117 4.260 -13.021 0.652 898 HG2 PRO 117 HG2 PRO 117 6.366 -11.519 2.007 899 HG3 PRO 117 HG3 PRO 117 4.634 -11.576 2.358 900 HD2 PRO 117 HD2 PRO 117 6.809 -12.981 3.666 901 HD3 PRO 117 HD3 PRO 117 5.102 -12.879 4.141 902 H GLY 118 H GLY 118 6.682 -16.587 0.382 903 HA2 GLY 118 HA2 GLY 118 9.127 -15.560 -0.643 904 HA3 GLY 118 HA3 GLY 118 9.397 -16.312 0.922 905 H GLN 119 H GLN 119 7.960 -16.914 -2.261 906 HA GLN 119 HA GLN 119 8.372 -19.785 -1.854 907 HB2 GLN 119 HB2 GLN 119 6.817 -18.285 -3.965 908 HB3 GLN 119 HB3 GLN 119 6.966 -20.035 -3.891 909 HG2 GLN 119 HG2 GLN 119 5.874 -20.032 -1.701 910 HG3 GLN 119 HG3 GLN 119 5.708 -18.279 -1.792 911 HE21 GLN 119 HE21 GLN 119 4.597 -21.340 -3.006 912 HE22 GLN 119 HE22 GLN 119 3.190 -20.738 -3.808 913 H ALA 120 H ALA 120 10.351 -17.526 -2.686 914 HA ALA 120 HA ALA 120 11.502 -19.023 -4.950 915 HB1 ALA 120 HB1 ALA 120 12.506 -16.936 -5.729 916 HB2 ALA 120 HB2 ALA 120 10.747 -16.809 -5.654 917 HB3 ALA 120 HB3 ALA 120 11.741 -16.066 -4.398 918 H1 GLN 1 HT1 GLN 1 -14.027 25.579 4.342 919 H2 GLN 1 HT2 GLN 1 -14.955 26.706 5.199 920 H3 GLN 1 HT3 GLN 1 -15.145 26.555 3.518 921 HA GLN 1 HA GLN 1 -15.816 24.519 5.562 922 HB2 GLN 1 HB2 GLN 1 -17.374 26.449 5.412 923 HB3 GLN 1 HB3 GLN 1 -17.602 26.101 3.699 924 HG2 GLN 1 HG2 GLN 1 -18.458 23.856 4.338 925 HG3 GLN 1 HG3 GLN 1 -18.367 24.350 6.028 926 HE21 GLN 1 HE21 GLN 1 -20.544 24.172 6.383 927 HE22 GLN 1 HE22 GLN 1 -21.704 25.268 5.700 928 H ASP 2 H ASP 2 -15.288 22.609 4.801 929 HA ASP 2 HA ASP 2 -15.130 20.767 3.486 930 HB2 ASP 2 HB2 ASP 2 -17.503 21.750 2.702 931 HB3 ASP 2 HB3 ASP 2 -16.619 21.926 1.189 932 H THR 3 H THR 3 -13.478 20.086 2.144 933 HA THR 3 HA THR 3 -11.947 22.372 1.087 934 HB THR 3 HB THR 3 -9.919 21.098 2.039 935 HG1 THR 3 HG1 THR 3 -11.091 19.200 2.611 936 HG21 THR 3 HG21 THR 3 -10.220 22.169 4.250 937 HG22 THR 3 HG22 THR 3 -10.651 23.239 2.918 938 HG23 THR 3 HG23 THR 3 -11.917 22.451 3.858 939 H ARG 4 H ARG 4 -10.568 22.082 -0.569 940 HA ARG 4 HA ARG 4 -10.697 19.573 -2.066 941 HB2 ARG 4 HB2 ARG 4 -10.971 21.589 -3.391 942 HB3 ARG 4 HB3 ARG 4 -9.499 22.281 -2.719 943 HG2 ARG 4 HG2 ARG 4 -8.376 20.157 -3.733 944 HG3 ARG 4 HG3 ARG 4 -9.824 20.105 -4.732 945 HD2 ARG 4 HD2 ARG 4 -9.328 22.147 -5.757 946 HD3 ARG 4 HD3 ARG 4 -8.184 22.605 -4.493 947 HE ARG 4 HE ARG 4 -6.728 20.796 -5.353 948 HH11 ARG 4 HH11 ARG 4 -9.138 22.217 -7.467 949 HH12 ARG 4 HH12 ARG 4 -8.344 21.707 -8.923 950 HH21 ARG 4 HH21 ARG 4 -5.677 20.148 -7.281 951 HH22 ARG 4 HH22 ARG 4 -6.395 20.515 -8.818 952 H LEU 5 H LEU 5 -8.848 18.375 -2.578 953 HA LEU 5 HA LEU 5 -6.405 19.072 -1.114 954 HB2 LEU 5 HB2 LEU 5 -7.434 16.503 -2.290 955 HB3 LEU 5 HB3 LEU 5 -5.730 16.711 -1.952 956 HG LEU 5 HG LEU 5 -6.705 15.521 -0.129 957 HD11 LEU 5 HD11 LEU 5 -5.023 17.169 0.474 958 HD12 LEU 5 HD12 LEU 5 -6.279 18.390 0.680 959 HD13 LEU 5 HD13 LEU 5 -6.225 16.991 1.753 960 HD21 LEU 5 HD21 LEU 5 -8.545 16.413 1.215 961 HD22 LEU 5 HD22 LEU 5 -8.708 17.763 0.091 962 HD23 LEU 5 HD23 LEU 5 -9.036 16.117 -0.452 Start of MODEL 6 1 H1 GLY 4 HT1 GLY 4 -14.759 -19.818 4.352 2 H2 GLY 4 HT2 GLY 4 -15.613 -21.169 4.913 3 H3 GLY 4 HT3 GLY 4 -15.695 -19.702 5.763 4 HA2 GLY 4 HA3 GLY 4 -16.774 -20.233 3.050 5 HA3 GLY 4 HA2 GLY 4 -17.715 -20.012 4.519 6 H ILE 5 H ILE 5 -16.427 -18.511 1.823 7 HA ILE 5 HA ILE 5 -17.156 -15.886 2.869 8 HB ILE 5 HB ILE 5 -15.091 -14.906 1.724 9 HG12 ILE 5 HG12 ILE 5 -13.088 -16.529 1.923 10 HG13 ILE 5 HG13 ILE 5 -14.297 -17.807 1.867 11 HG21 ILE 5 HG21 ILE 5 -13.687 -15.250 3.728 12 HG22 ILE 5 HG22 ILE 5 -15.361 -14.845 4.107 13 HG23 ILE 5 HG23 ILE 5 -14.800 -16.511 4.252 14 HD11 ILE 5 HD11 ILE 5 -13.843 -15.721 -0.254 15 HD12 ILE 5 HD12 ILE 5 -13.309 -17.400 -0.316 16 HD13 ILE 5 HD13 ILE 5 -15.031 -17.023 -0.316 17 H ASP 6 H ASP 6 -16.729 -14.258 0.903 18 HA ASP 6 HA ASP 6 -17.919 -15.510 -1.484 19 HB2 ASP 6 HB2 ASP 6 -19.186 -13.635 -0.190 20 HB3 ASP 6 HB3 ASP 6 -17.988 -12.551 -0.897 21 HA PRO 7 HA PRO 7 -14.220 -14.953 -3.830 22 HB2 PRO 7 HB2 PRO 7 -16.152 -13.600 -5.691 23 HB3 PRO 7 HB3 PRO 7 -14.835 -14.724 -6.068 24 HG2 PRO 7 HG2 PRO 7 -17.275 -15.659 -5.957 25 HG3 PRO 7 HG3 PRO 7 -15.963 -16.548 -5.154 26 HD2 PRO 7 HD2 PRO 7 -18.106 -14.843 -3.953 27 HD3 PRO 7 HD3 PRO 7 -17.366 -16.335 -3.332 28 H PHE 8 H PHE 8 -12.687 -13.507 -3.940 29 HA PHE 8 HA PHE 8 -13.096 -10.879 -2.900 30 HB2 PHE 8 HB2 PHE 8 -10.651 -12.066 -4.237 31 HB3 PHE 8 HB3 PHE 8 -10.688 -10.568 -3.312 32 HD1 PHE 8 HD1 PHE 8 -11.335 -10.706 -0.855 33 HD2 PHE 8 HD2 PHE 8 -10.290 -14.114 -3.181 34 HE1 PHE 8 HE1 PHE 8 -10.880 -11.966 1.208 35 HE2 PHE 8 HE2 PHE 8 -9.834 -15.383 -1.123 36 HZ PHE 8 HZ PHE 8 -10.131 -14.308 1.072 37 H THR 9 H THR 9 -14.564 -9.933 -4.283 38 HA THR 9 HA THR 9 -13.945 -9.807 -7.102 39 HB THR 9 HB THR 9 -16.195 -10.293 -6.778 40 HG1 THR 9 HG1 THR 9 -15.567 -7.964 -7.848 41 HG21 THR 9 HG21 THR 9 -16.270 -8.117 -4.691 42 HG22 THR 9 HG22 THR 9 -17.698 -8.969 -5.282 43 HG23 THR 9 HG23 THR 9 -16.429 -9.855 -4.431 44 H MET 10 H MET 10 -14.262 -7.511 -4.411 45 HA MET 10 HA MET 10 -13.153 -5.493 -6.224 46 HB2 MET 10 HB2 MET 10 -15.063 -4.745 -4.827 47 HB3 MET 10 HB3 MET 10 -14.103 -5.071 -3.383 48 HG2 MET 10 HG2 MET 10 -12.418 -3.459 -4.170 49 HG3 MET 10 HG3 MET 10 -13.440 -3.096 -5.557 50 HE1 MET 10 HE1 MET 10 -13.769 0.166 -3.512 51 HE2 MET 10 HE2 MET 10 -12.345 -0.824 -3.842 52 HE3 MET 10 HE3 MET 10 -13.531 -0.530 -5.114 53 H LEU 11 H LEU 11 -11.072 -5.335 -6.329 54 HA LEU 11 HA LEU 11 -9.477 -6.255 -4.041 55 HB2 LEU 11 HB2 LEU 11 -8.507 -5.821 -6.871 56 HB3 LEU 11 HB3 LEU 11 -7.671 -6.646 -5.572 57 HG LEU 11 HG LEU 11 -8.405 -8.367 -6.993 58 HD11 LEU 11 HD11 LEU 11 -10.468 -8.148 -4.832 59 HD12 LEU 11 HD12 LEU 11 -10.045 -9.609 -5.723 60 HD13 LEU 11 HD13 LEU 11 -8.856 -8.843 -4.669 61 HD21 LEU 11 HD21 LEU 11 -10.662 -8.586 -7.868 62 HD22 LEU 11 HD22 LEU 11 -11.111 -7.066 -7.094 63 HD23 LEU 11 HD23 LEU 11 -9.911 -7.075 -8.387 64 HA PRO 12 HA PRO 12 -9.204 -1.895 -3.331 65 HB2 PRO 12 HB2 PRO 12 -7.435 -2.005 -1.247 66 HB3 PRO 12 HB3 PRO 12 -9.167 -2.320 -1.095 67 HG2 PRO 12 HG2 PRO 12 -6.906 -4.260 -1.361 68 HG3 PRO 12 HG3 PRO 12 -8.316 -4.325 -0.286 69 HD2 PRO 12 HD2 PRO 12 -8.206 -5.775 -2.544 70 HD3 PRO 12 HD3 PRO 12 -9.728 -5.055 -1.977 71 H ARG 13 H ARG 13 -8.035 -0.369 -4.226 72 HA ARG 13 HA ARG 13 -5.315 -0.995 -5.094 73 HB2 ARG 13 HB2 ARG 13 -5.618 1.111 -6.484 74 HB3 ARG 13 HB3 ARG 13 -6.641 -0.252 -6.910 75 HG2 ARG 13 HG2 ARG 13 -8.507 0.757 -5.706 76 HG3 ARG 13 HG3 ARG 13 -7.485 2.120 -5.249 77 HD2 ARG 13 HD2 ARG 13 -8.951 2.616 -7.174 78 HD3 ARG 13 HD3 ARG 13 -7.235 2.760 -7.562 79 HE ARG 13 HE ARG 13 -8.058 0.164 -8.201 80 HH11 ARG 13 HH11 ARG 13 -8.757 3.436 -9.247 81 HH12 ARG 13 HH12 ARG 13 -8.978 2.987 -10.914 82 HH21 ARG 13 HH21 ARG 13 -8.337 -0.428 -10.368 83 HH22 ARG 13 HH22 ARG 13 -8.760 0.777 -11.549 84 H LEU 14 H LEU 14 -3.618 -0.144 -4.113 85 HA LEU 14 HA LEU 14 -3.977 1.890 -2.076 86 HB2 LEU 14 HB2 LEU 14 -2.399 -0.024 -1.775 87 HB3 LEU 14 HB3 LEU 14 -1.428 0.612 -3.088 88 HG LEU 14 HG LEU 14 -1.010 2.657 -1.767 89 HD11 LEU 14 HD11 LEU 14 -2.517 1.189 0.392 90 HD12 LEU 14 HD12 LEU 14 -1.575 2.662 0.628 91 HD13 LEU 14 HD13 LEU 14 -3.007 2.685 -0.402 92 HD21 LEU 14 HD21 LEU 14 -0.304 0.064 -0.397 93 HD22 LEU 14 HD22 LEU 14 0.594 0.840 -1.704 94 HD23 LEU 14 HD23 LEU 14 0.492 1.616 -0.122 95 H CYS 15 H CYS 15 -4.256 3.891 -2.796 96 HA CYS 15 HA CYS 15 -3.081 4.624 -5.359 97 HB2 CYS 15 HB2 CYS 15 -5.133 6.079 -3.681 98 HB3 CYS 15 HB3 CYS 15 -4.677 6.465 -5.336 99 HG CYS 15 HG CYS 15 -6.267 3.608 -4.325 100 H CYS 16 H CYS 16 -1.075 5.408 -5.178 101 HA CYS 16 HA CYS 16 -0.436 7.237 -3.010 102 HB2 CYS 16 HB2 CYS 16 1.250 6.261 -5.331 103 HB3 CYS 16 HB3 CYS 16 1.831 7.249 -3.995 104 HG CYS 16 HG CYS 16 1.205 3.946 -4.117 105 H LEU 17 H LEU 17 -1.268 9.198 -3.249 106 HA LEU 17 HA LEU 17 -1.602 10.314 -5.905 107 HB2 LEU 17 HB2 LEU 17 -2.633 10.989 -3.192 108 HB3 LEU 17 HB3 LEU 17 -2.504 12.290 -4.367 109 HG LEU 17 HG LEU 17 -3.906 10.924 -5.932 110 HD11 LEU 17 HD11 LEU 17 -4.391 9.215 -3.499 111 HD12 LEU 17 HD12 LEU 17 -5.190 9.076 -5.065 112 HD13 LEU 17 HD13 LEU 17 -3.468 8.724 -4.920 113 HD21 LEU 17 HD21 LEU 17 -5.998 11.418 -4.800 114 HD22 LEU 17 HD22 LEU 17 -5.138 11.599 -3.270 115 HD23 LEU 17 HD23 LEU 17 -4.837 12.729 -4.591 116 H GLU 18 H GLU 18 -0.529 11.971 -6.733 117 HA GLU 18 HA GLU 18 2.025 12.591 -5.500 118 HB2 GLU 18 HB2 GLU 18 1.074 13.509 -8.208 119 HB3 GLU 18 HB3 GLU 18 2.726 13.252 -7.659 120 HG2 GLU 18 HG2 GLU 18 2.434 10.877 -7.695 121 HG3 GLU 18 HG3 GLU 18 0.712 11.046 -8.030 122 H LYS 19 H LYS 19 2.481 14.521 -4.591 123 HA LYS 19 HA LYS 19 0.533 16.581 -4.406 124 HB2 LYS 19 HB2 LYS 19 2.115 16.409 -2.622 125 HB3 LYS 19 HB3 LYS 19 3.476 16.526 -3.730 126 HG2 LYS 19 HG2 LYS 19 3.237 18.606 -2.559 127 HG3 LYS 19 HG3 LYS 19 2.803 18.852 -4.251 128 HD2 LYS 19 HD2 LYS 19 1.172 20.008 -3.013 129 HD3 LYS 19 HD3 LYS 19 0.394 18.513 -3.528 130 HE2 LYS 19 HE2 LYS 19 -0.155 18.951 -1.228 131 HE3 LYS 19 HE3 LYS 19 0.889 17.533 -1.318 132 HZ1 LYS 19 HZ1 LYS 19 1.612 18.946 0.468 133 HZ2 LYS 19 HZ2 LYS 19 2.782 18.992 -0.752 134 HZ3 LYS 19 HZ3 LYS 19 1.711 20.287 -0.560 135 H GLY 20 H GLY 20 -0.086 17.673 -6.125 136 HA2 GLY 20 HA2 GLY 20 1.768 18.294 -8.274 137 HA3 GLY 20 HA3 GLY 20 0.049 18.669 -8.230 138 HA PRO 21 HA PRO 21 2.286 22.671 -7.866 139 HB2 PRO 21 HB2 PRO 21 0.060 24.109 -8.669 140 HB3 PRO 21 HB3 PRO 21 1.322 23.503 -9.747 141 HG2 PRO 21 HG2 PRO 21 -1.362 22.343 -9.125 142 HG3 PRO 21 HG3 PRO 21 -0.502 22.419 -10.674 143 HD2 PRO 21 HD2 PRO 21 -0.607 20.157 -9.238 144 HD3 PRO 21 HD3 PRO 21 0.845 20.604 -10.158 145 H ASN 22 H ASN 22 -1.115 22.137 -6.902 146 HA ASN 22 HA ASN 22 -0.534 23.491 -4.371 147 HB2 ASN 22 HB2 ASN 22 -2.621 24.793 -4.577 148 HB3 ASN 22 HB3 ASN 22 -1.476 25.182 -5.856 149 HD21 ASN 22 HD21 ASN 22 -4.326 25.570 -5.809 150 HD22 ASN 22 HD22 ASN 22 -4.970 24.687 -7.150 151 H GLY 23 H GLY 23 -0.904 20.655 -4.935 152 HA2 GLY 23 HA2 GLY 23 -2.165 19.546 -2.973 153 HA3 GLY 23 HA3 GLY 23 -3.582 20.167 -3.809 154 H TYR 24 H TYR 24 -4.542 18.271 -4.365 155 HA TYR 24 HA TYR 24 -2.936 16.404 -5.989 156 HB2 TYR 24 HB2 TYR 24 -5.081 15.648 -3.995 157 HB3 TYR 24 HB3 TYR 24 -4.106 14.538 -4.959 158 HD1 TYR 24 HD2 TYR 24 -1.677 14.319 -4.503 159 HD2 TYR 24 HD1 TYR 24 -4.228 16.624 -2.003 160 HE1 TYR 24 HE2 TYR 24 0.047 14.320 -2.755 161 HE2 TYR 24 HE1 TYR 24 -2.511 16.635 -0.248 162 HH TYR 24 HH TYR 24 -0.579 15.294 0.437 163 H GLY 25 H GLY 25 -5.935 18.104 -5.548 164 HA2 GLY 25 HA2 GLY 25 -7.078 18.879 -7.470 165 HA3 GLY 25 HA3 GLY 25 -6.438 17.522 -8.376 166 H PHE 26 H PHE 26 -7.948 16.917 -5.279 167 HA PHE 26 HA PHE 26 -10.472 16.346 -6.658 168 HB2 PHE 26 HB2 PHE 26 -10.778 14.286 -5.416 169 HB3 PHE 26 HB3 PHE 26 -9.275 14.213 -6.329 170 HD1 PHE 26 HD2 PHE 26 -7.106 14.666 -5.072 171 HD2 PHE 26 HD1 PHE 26 -10.809 13.897 -3.131 172 HE1 PHE 26 HE2 PHE 26 -5.897 14.031 -3.024 173 HE2 PHE 26 HE1 PHE 26 -9.610 13.260 -1.081 174 HZ PHE 26 HZ PHE 26 -7.151 13.322 -1.030 175 H HIS 27 H HIS 27 -12.335 16.372 -5.290 176 HA HIS 27 HA HIS 27 -11.971 18.191 -2.998 177 HB2 HIS 27 HB2 HIS 27 -14.403 17.629 -4.717 178 HB3 HIS 27 HB3 HIS 27 -14.426 18.646 -3.284 179 HD1 HIS 27 HD1 HIS 27 -14.292 21.042 -3.793 180 HD2 HIS 27 HD2 HIS 27 -12.352 18.734 -6.674 181 HE1 HIS 27 HE1 HIS 27 -13.489 22.663 -5.551 182 HE2 HIS 27 HE2 HIS 27 -12.270 21.254 -7.258 183 H LEU 28 H LEU 28 -12.265 17.352 -1.007 184 HA LEU 28 HA LEU 28 -13.705 14.806 -0.847 185 HB2 LEU 28 HB2 LEU 28 -11.465 14.956 0.243 186 HB3 LEU 28 HB3 LEU 28 -12.127 16.167 1.333 187 HG LEU 28 HG LEU 28 -13.940 14.187 1.657 188 HD11 LEU 28 HD11 LEU 28 -12.759 12.067 1.879 189 HD12 LEU 28 HD12 LEU 28 -12.791 12.637 0.210 190 HD13 LEU 28 HD13 LEU 28 -11.319 12.798 1.169 191 HD21 LEU 28 HD21 LEU 28 -12.766 13.645 3.734 192 HD22 LEU 28 HD22 LEU 28 -11.353 14.528 3.151 193 HD23 LEU 28 HD23 LEU 28 -12.871 15.379 3.443 194 H HIS 29 H HIS 29 -15.517 14.564 0.234 195 HA HIS 29 HA HIS 29 -16.821 16.976 1.289 196 HB2 HIS 29 HB2 HIS 29 -17.947 15.998 -0.615 197 HB3 HIS 29 HB3 HIS 29 -17.874 14.403 0.115 198 HD1 HIS 29 HD1 HIS 29 -19.776 17.630 0.261 199 HD2 HIS 29 HD2 HIS 29 -19.832 13.849 1.982 200 HE1 HIS 29 HE1 HIS 29 -21.989 17.460 1.453 201 HE2 HIS 29 HE2 HIS 29 -22.079 15.090 2.326 202 H GLY 30 H GLY 30 -17.668 16.917 3.379 203 HA2 GLY 30 HA2 GLY 30 -17.560 14.326 4.769 204 HA3 GLY 30 HA3 GLY 30 -16.743 15.708 5.486 205 H GLU 31 H GLU 31 -19.369 13.923 5.746 206 HA GLU 31 HA GLU 31 -20.866 16.111 6.989 207 HB2 GLU 31 HB2 GLU 31 -22.986 14.969 6.316 208 HB3 GLU 31 HB3 GLU 31 -22.084 15.664 4.977 209 HG2 GLU 31 HG2 GLU 31 -21.192 13.413 4.469 210 HG3 GLU 31 HG3 GLU 31 -22.219 12.757 5.746 211 H LYS 32 H LYS 32 -22.309 15.350 8.731 212 HA LYS 32 HA LYS 32 -22.976 13.984 10.449 213 HB2 LYS 32 HB2 LYS 32 -22.843 12.238 8.534 214 HB3 LYS 32 HB3 LYS 32 -21.363 11.719 9.319 215 HG2 LYS 32 HG2 LYS 32 -23.716 11.952 11.069 216 HG3 LYS 32 HG3 LYS 32 -23.794 10.696 9.832 217 HD2 LYS 32 HD2 LYS 32 -21.519 9.949 10.628 218 HD3 LYS 32 HD3 LYS 32 -21.734 11.044 11.996 219 HE2 LYS 32 HE2 LYS 32 -22.388 8.831 12.646 220 HE3 LYS 32 HE3 LYS 32 -23.816 9.854 12.572 221 HZ1 LYS 32 HZ1 LYS 32 -22.965 7.988 10.420 222 HZ2 LYS 32 HZ2 LYS 32 -24.161 7.649 11.574 223 HZ3 LYS 32 HZ3 LYS 32 -24.393 8.903 10.454 224 H GLY 33 H GLY 33 -20.131 15.251 9.976 225 HA2 GLY 33 HA2 GLY 33 -18.764 16.008 11.724 226 HA3 GLY 33 HA3 GLY 33 -19.337 14.681 12.717 227 H LYS 34 H LYS 34 -18.654 12.452 11.804 228 HA LYS 34 HA LYS 34 -15.807 12.652 11.086 229 HB2 LYS 34 HB2 LYS 34 -17.135 10.649 12.925 230 HB3 LYS 34 HB3 LYS 34 -15.454 10.581 12.410 231 HG2 LYS 34 HG2 LYS 34 -15.068 12.762 13.484 232 HG3 LYS 34 HG3 LYS 34 -16.736 12.749 14.056 233 HD2 LYS 34 HD2 LYS 34 -16.298 10.726 15.340 234 HD3 LYS 34 HD3 LYS 34 -14.643 10.682 14.727 235 HE2 LYS 34 HE2 LYS 34 -14.627 11.621 16.936 236 HE3 LYS 34 HE3 LYS 34 -14.243 12.889 15.772 237 HZ1 LYS 34 HZ1 LYS 34 -16.734 13.411 15.893 238 HZ2 LYS 34 HZ2 LYS 34 -16.730 12.484 17.310 239 HZ3 LYS 34 HZ3 LYS 34 -15.764 13.870 17.207 240 H LEU 35 H LEU 35 -18.227 10.056 11.337 241 HA LEU 35 HA LEU 35 -17.171 8.724 9.072 242 HB2 LEU 35 HB2 LEU 35 -19.843 8.333 10.413 243 HB3 LEU 35 HB3 LEU 35 -19.087 7.226 9.284 244 HG LEU 35 HG LEU 35 -18.035 7.912 12.031 245 HD11 LEU 35 HD11 LEU 35 -20.058 6.578 12.121 246 HD12 LEU 35 HD12 LEU 35 -19.371 5.429 10.973 247 HD13 LEU 35 HD13 LEU 35 -18.655 5.608 12.575 248 HD21 LEU 35 HD21 LEU 35 -16.259 7.391 10.420 249 HD22 LEU 35 HD22 LEU 35 -16.424 6.136 11.648 250 HD23 LEU 35 HD23 LEU 35 -17.070 5.878 10.025 251 H GLY 36 H GLY 36 -17.413 9.352 7.051 252 HA2 GLY 36 HA2 GLY 36 -19.378 9.466 5.383 253 HA3 GLY 36 HA3 GLY 36 -19.837 10.872 6.328 254 H GLN 37 H GLN 37 -16.555 9.920 5.427 255 HA GLN 37 HA GLN 37 -16.353 12.402 3.895 256 HB2 GLN 37 HB2 GLN 37 -13.866 11.923 3.924 257 HB3 GLN 37 HB3 GLN 37 -14.598 12.322 5.467 258 HG2 GLN 37 HG2 GLN 37 -14.084 9.492 4.605 259 HG3 GLN 37 HG3 GLN 37 -12.884 10.469 5.450 260 HE21 GLN 37 HE21 GLN 37 -13.367 11.204 7.563 261 HE22 GLN 37 HE22 GLN 37 -14.486 10.347 8.561 262 H TYR 38 H TYR 38 -16.530 12.338 1.808 263 HA TYR 38 HA TYR 38 -15.802 9.891 0.339 264 HB2 TYR 38 HB2 TYR 38 -18.296 11.564 -0.030 265 HB3 TYR 38 HB3 TYR 38 -17.796 10.264 -1.105 266 HD1 TYR 38 HD1 TYR 38 -17.550 7.921 -0.054 267 HD2 TYR 38 HD2 TYR 38 -19.685 11.106 1.786 268 HE1 TYR 38 HE1 TYR 38 -18.786 6.296 1.312 269 HE2 TYR 38 HE2 TYR 38 -20.926 9.488 3.162 270 HH TYR 38 HH TYR 38 -21.575 6.994 2.921 271 H ILE 39 H ILE 39 -15.121 10.222 -1.790 272 HA ILE 39 HA ILE 39 -14.032 12.815 -2.391 273 HB ILE 39 HB ILE 39 -14.311 10.482 -4.291 274 HG12 ILE 39 HG12 ILE 39 -13.181 9.708 -2.261 275 HG13 ILE 39 HG13 ILE 39 -12.051 9.803 -3.610 276 HG21 ILE 39 HG21 ILE 39 -12.358 11.482 -5.385 277 HG22 ILE 39 HG22 ILE 39 -13.730 12.590 -5.341 278 HG23 ILE 39 HG23 ILE 39 -12.389 12.803 -4.216 279 HD11 ILE 39 HD11 ILE 39 -12.332 11.773 -1.360 280 HD12 ILE 39 HD12 ILE 39 -11.013 10.628 -1.610 281 HD13 ILE 39 HD13 ILE 39 -11.252 11.961 -2.743 282 H ARG 40 H ARG 40 -15.078 14.419 -3.378 283 HA ARG 40 HA ARG 40 -17.765 13.903 -4.386 284 HB2 ARG 40 HB2 ARG 40 -17.628 15.758 -2.903 285 HB3 ARG 40 HB3 ARG 40 -16.247 16.433 -3.761 286 HG2 ARG 40 HG2 ARG 40 -17.797 16.680 -5.755 287 HG3 ARG 40 HG3 ARG 40 -19.115 16.329 -4.637 288 HD2 ARG 40 HD2 ARG 40 -18.795 18.283 -3.444 289 HD3 ARG 40 HD3 ARG 40 -17.131 18.472 -4.005 290 HE ARG 40 HE ARG 40 -18.966 18.603 -6.175 291 HH11 ARG 40 HH11 ARG 40 -17.654 20.478 -3.525 292 HH12 ARG 40 HH12 ARG 40 -17.957 22.011 -4.301 293 HH21 ARG 40 HH21 ARG 40 -19.309 20.578 -7.213 294 HH22 ARG 40 HH22 ARG 40 -18.894 22.066 -6.414 295 H LEU 41 H LEU 41 -14.712 15.296 -5.503 296 HA LEU 41 HA LEU 41 -15.540 14.904 -8.264 297 HB2 LEU 41 HB2 LEU 41 -16.376 17.119 -7.720 298 HB3 LEU 41 HB3 LEU 41 -14.805 17.588 -7.099 299 HG LEU 41 HG LEU 41 -13.868 17.334 -9.386 300 HD11 LEU 41 HD11 LEU 41 -16.753 16.948 -10.162 301 HD12 LEU 41 HD12 LEU 41 -15.408 17.186 -11.278 302 HD13 LEU 41 HD13 LEU 41 -15.475 15.738 -10.271 303 HD21 LEU 41 HD21 LEU 41 -14.846 19.380 -10.268 304 HD22 LEU 41 HD22 LEU 41 -16.205 19.223 -9.156 305 HD23 LEU 41 HD23 LEU 41 -14.582 19.511 -8.529 306 H VAL 42 H VAL 42 -13.897 14.315 -9.505 307 HA VAL 42 HA VAL 42 -11.150 14.792 -8.542 308 HB VAL 42 HB VAL 42 -12.129 12.488 -10.254 309 HG11 VAL 42 HG11 VAL 42 -9.388 13.054 -9.130 310 HG12 VAL 42 HG12 VAL 42 -9.864 11.598 -10.005 311 HG13 VAL 42 HG13 VAL 42 -9.859 13.159 -10.827 312 HG21 VAL 42 HG21 VAL 42 -11.184 12.516 -7.390 313 HG22 VAL 42 HG22 VAL 42 -12.839 12.250 -7.940 314 HG23 VAL 42 HG23 VAL 42 -11.580 11.078 -8.331 315 H GLU 43 H GLU 43 -10.034 16.130 -9.792 316 HA GLU 43 HA GLU 43 -11.173 17.095 -12.238 317 HB2 GLU 43 HB2 GLU 43 -9.832 18.365 -10.416 318 HB3 GLU 43 HB3 GLU 43 -8.411 17.736 -11.238 319 HG2 GLU 43 HG2 GLU 43 -8.923 18.897 -13.220 320 HG3 GLU 43 HG3 GLU 43 -10.547 19.284 -12.654 321 HA PRO 44 HA PRO 44 -9.553 14.139 -15.021 322 HB2 PRO 44 HB2 PRO 44 -9.173 15.801 -17.205 323 HB3 PRO 44 HB3 PRO 44 -10.710 15.065 -16.741 324 HG2 PRO 44 HG2 PRO 44 -9.673 17.810 -16.149 325 HG3 PRO 44 HG3 PRO 44 -11.297 17.315 -16.649 326 HD2 PRO 44 HD2 PRO 44 -10.801 17.898 -14.108 327 HD3 PRO 44 HD3 PRO 44 -11.838 16.513 -14.523 328 H GLY 45 H GLY 45 -7.747 17.084 -14.441 329 HA2 GLY 45 HA2 GLY 45 -5.320 15.773 -15.504 330 HA3 GLY 45 HA3 GLY 45 -5.535 17.510 -15.361 331 H SER 46 H SER 46 -6.430 15.231 -12.851 332 HA SER 46 HA SER 46 -4.456 16.513 -11.098 333 HB2 SER 46 HB2 SER 46 -5.848 15.736 -9.251 334 HB3 SER 46 HB3 SER 46 -6.848 16.600 -10.420 335 HG SER 46 HG SER 46 -7.766 14.746 -11.049 336 HA PRO 47 HA PRO 47 -2.121 12.713 -10.619 337 HB2 PRO 47 HB2 PRO 47 -1.878 13.472 -7.777 338 HB3 PRO 47 HB3 PRO 47 -0.613 13.187 -8.976 339 HG2 PRO 47 HG2 PRO 47 -1.188 15.654 -8.111 340 HG3 PRO 47 HG3 PRO 47 -0.719 15.344 -9.794 341 HD2 PRO 47 HD2 PRO 47 -3.432 15.843 -8.638 342 HD3 PRO 47 HD3 PRO 47 -2.734 16.416 -10.167 343 H ALA 48 H ALA 48 -4.923 13.553 -8.806 344 HA ALA 48 HA ALA 48 -5.261 11.246 -7.235 345 HB1 ALA 48 HB1 ALA 48 -7.624 11.865 -7.147 346 HB2 ALA 48 HB2 ALA 48 -6.592 13.277 -6.921 347 HB3 ALA 48 HB3 ALA 48 -7.384 13.003 -8.473 348 H GLU 49 H GLU 49 -6.425 12.017 -10.513 349 HA GLU 49 HA GLU 49 -7.617 9.467 -10.893 350 HB2 GLU 49 HB2 GLU 49 -7.981 10.112 -13.178 351 HB3 GLU 49 HB3 GLU 49 -8.322 11.486 -12.144 352 HG2 GLU 49 HG2 GLU 49 -7.177 12.502 -13.825 353 HG3 GLU 49 HG3 GLU 49 -5.848 12.137 -12.725 354 H LYS 50 H LYS 50 -4.417 10.729 -11.337 355 HA LYS 50 HA LYS 50 -3.259 8.775 -12.951 356 HB2 LYS 50 HB2 LYS 50 -2.185 10.403 -10.659 357 HB3 LYS 50 HB3 LYS 50 -1.177 9.225 -11.480 358 HG2 LYS 50 HG2 LYS 50 -2.581 11.416 -12.960 359 HG3 LYS 50 HG3 LYS 50 -0.999 11.645 -12.214 360 HD2 LYS 50 HD2 LYS 50 -1.708 9.592 -14.310 361 HD3 LYS 50 HD3 LYS 50 -0.768 11.064 -14.569 362 HE2 LYS 50 HE2 LYS 50 0.004 8.758 -12.780 363 HE3 LYS 50 HE3 LYS 50 0.677 9.096 -14.373 364 HZ1 LYS 50 HZ1 LYS 50 1.571 11.170 -13.530 365 HZ2 LYS 50 HZ2 LYS 50 0.894 10.885 -11.998 366 HZ3 LYS 50 HZ3 LYS 50 2.120 9.872 -12.586 367 H ALA 51 H ALA 51 -3.825 8.824 -9.467 368 HA ALA 51 HA ALA 51 -2.624 6.272 -9.006 369 HB1 ALA 51 HB1 ALA 51 -4.478 7.860 -7.232 370 HB2 ALA 51 HB2 ALA 51 -3.468 6.500 -6.740 371 HB3 ALA 51 HB3 ALA 51 -2.720 8.005 -7.273 372 H GLY 52 H GLY 52 -5.862 7.423 -9.643 373 HA2 GLY 52 HA2 GLY 52 -7.392 5.872 -10.740 374 HA3 GLY 52 HA3 GLY 52 -6.773 4.615 -9.679 375 H LEU 53 H LEU 53 -7.205 7.638 -8.215 376 HA LEU 53 HA LEU 53 -9.279 6.703 -6.495 377 HB2 LEU 53 HB2 LEU 53 -7.470 8.222 -5.788 378 HB3 LEU 53 HB3 LEU 53 -8.077 9.454 -6.873 379 HG LEU 53 HG LEU 53 -10.005 8.481 -4.857 380 HD11 LEU 53 HD11 LEU 53 -8.995 9.830 -3.079 381 HD12 LEU 53 HD12 LEU 53 -7.941 8.494 -3.551 382 HD13 LEU 53 HD13 LEU 53 -7.593 10.133 -4.107 383 HD21 LEU 53 HD21 LEU 53 -10.504 10.870 -4.731 384 HD22 LEU 53 HD22 LEU 53 -9.128 11.222 -5.777 385 HD23 LEU 53 HD23 LEU 53 -10.507 10.316 -6.406 386 H LEU 54 H LEU 54 -11.462 6.994 -6.687 387 HA LEU 54 HA LEU 54 -12.346 8.352 -9.143 388 HB2 LEU 54 HB2 LEU 54 -13.656 6.176 -7.512 389 HB3 LEU 54 HB3 LEU 54 -14.379 6.936 -8.917 390 HG LEU 54 HG LEU 54 -11.830 5.316 -8.933 391 HD11 LEU 54 HD11 LEU 54 -14.596 4.639 -9.930 392 HD12 LEU 54 HD12 LEU 54 -13.152 3.644 -10.122 393 HD13 LEU 54 HD13 LEU 54 -13.807 3.943 -8.513 394 HD21 LEU 54 HD21 LEU 54 -12.026 5.469 -11.366 395 HD22 LEU 54 HD22 LEU 54 -13.432 6.520 -11.187 396 HD23 LEU 54 HD23 LEU 54 -11.848 7.064 -10.632 397 H ALA 55 H ALA 55 -14.290 9.536 -9.140 398 HA ALA 55 HA ALA 55 -14.634 11.151 -6.790 399 HB1 ALA 55 HB1 ALA 55 -14.674 12.126 -9.049 400 HB2 ALA 55 HB2 ALA 55 -16.147 11.222 -9.398 401 HB3 ALA 55 HB3 ALA 55 -16.152 12.467 -8.151 402 H GLY 56 H GLY 56 -15.404 9.577 -5.326 403 HA2 GLY 56 HA2 GLY 56 -18.003 9.604 -4.663 404 HA3 GLY 56 HA3 GLY 56 -17.948 8.294 -5.832 405 H ASP 57 H ASP 57 -15.019 8.006 -4.652 406 HA ASP 57 HA ASP 57 -15.685 5.752 -3.050 407 HB2 ASP 57 HB2 ASP 57 -13.029 7.118 -3.530 408 HB3 ASP 57 HB3 ASP 57 -13.227 5.578 -2.701 409 H ARG 58 H ARG 58 -15.205 5.383 -0.871 410 HA ARG 58 HA ARG 58 -14.945 7.788 0.783 411 HB2 ARG 58 HB2 ARG 58 -15.417 6.166 2.692 412 HB3 ARG 58 HB3 ARG 58 -16.742 6.482 1.585 413 HG2 ARG 58 HG2 ARG 58 -16.302 4.368 0.445 414 HG3 ARG 58 HG3 ARG 58 -14.959 4.057 1.543 415 HD2 ARG 58 HD2 ARG 58 -17.738 4.547 2.569 416 HD3 ARG 58 HD3 ARG 58 -17.226 2.948 2.031 417 HE ARG 58 HE ARG 58 -15.330 3.928 3.857 418 HH11 ARG 58 HH11 ARG 58 -18.662 2.861 3.813 419 HH12 ARG 58 HH12 ARG 58 -18.616 2.212 5.415 420 HH21 ARG 58 HH21 ARG 58 -15.253 3.083 5.961 421 HH22 ARG 58 HH22 ARG 58 -16.677 2.349 6.657 422 H LEU 59 H LEU 59 -13.183 8.160 2.024 423 HA LEU 59 HA LEU 59 -10.805 6.733 1.232 424 HB2 LEU 59 HB2 LEU 59 -10.919 9.212 1.428 425 HB3 LEU 59 HB3 LEU 59 -11.109 9.030 3.161 426 HG LEU 59 HG LEU 59 -8.887 8.027 3.325 427 HD11 LEU 59 HD11 LEU 59 -7.406 7.964 1.388 428 HD12 LEU 59 HD12 LEU 59 -8.827 6.951 1.128 429 HD13 LEU 59 HD13 LEU 59 -8.719 8.533 0.357 430 HD21 LEU 59 HD21 LEU 59 -9.114 10.442 3.525 431 HD22 LEU 59 HD22 LEU 59 -7.583 10.014 2.762 432 HD23 LEU 59 HD23 LEU 59 -8.918 10.614 1.781 433 H VAL 60 H VAL 60 -9.874 5.146 2.301 434 HA VAL 60 HA VAL 60 -11.105 4.263 4.782 435 HB VAL 60 HB VAL 60 -9.022 2.905 3.065 436 HG11 VAL 60 HG11 VAL 60 -10.735 1.829 5.300 437 HG12 VAL 60 HG12 VAL 60 -9.660 0.874 4.279 438 HG13 VAL 60 HG13 VAL 60 -8.994 2.101 5.358 439 HG21 VAL 60 HG21 VAL 60 -11.123 3.253 1.864 440 HG22 VAL 60 HG22 VAL 60 -10.864 1.544 2.222 441 HG23 VAL 60 HG23 VAL 60 -12.007 2.485 3.183 442 H GLU 61 H GLU 61 -7.759 4.777 3.604 443 HA GLU 61 HA GLU 61 -7.018 5.448 6.340 444 HB2 GLU 61 HB2 GLU 61 -5.043 3.973 6.268 445 HB3 GLU 61 HB3 GLU 61 -6.553 3.082 6.213 446 HG2 GLU 61 HG2 GLU 61 -5.210 1.988 4.682 447 HG3 GLU 61 HG3 GLU 61 -6.212 3.030 3.676 448 H VAL 62 H VAL 62 -4.919 6.408 6.537 449 HA VAL 62 HA VAL 62 -3.753 7.461 4.067 450 HB VAL 62 HB VAL 62 -4.418 9.135 6.507 451 HG11 VAL 62 HG11 VAL 62 -3.320 10.992 5.357 452 HG12 VAL 62 HG12 VAL 62 -2.186 9.680 5.678 453 HG13 VAL 62 HG13 VAL 62 -2.836 9.906 4.054 454 HG21 VAL 62 HG21 VAL 62 -6.290 8.834 4.964 455 HG22 VAL 62 HG22 VAL 62 -5.711 10.501 4.948 456 HG23 VAL 62 HG23 VAL 62 -5.288 9.406 3.630 457 H ASN 63 H ASN 63 -1.783 6.670 4.056 458 HA ASN 63 HA ASN 63 0.393 6.341 4.616 459 HB2 ASN 63 HB2 ASN 63 -0.340 8.068 6.981 460 HB3 ASN 63 HB3 ASN 63 1.282 7.443 6.720 461 HD21 ASN 63 HD21 ASN 63 1.341 7.715 3.892 462 HD22 ASN 63 HD22 ASN 63 1.396 9.410 3.542 463 H GLY 64 H GLY 64 -1.876 4.572 5.585 464 HA2 GLY 64 HA2 GLY 64 -1.169 2.321 6.215 465 HA3 GLY 64 HA3 GLY 64 -0.127 3.050 7.422 466 H GLU 65 H GLU 65 -2.437 4.947 8.102 467 HA GLU 65 HA GLU 65 -3.768 2.998 9.858 468 HB2 GLU 65 HB2 GLU 65 -3.959 4.905 11.478 469 HB3 GLU 65 HB3 GLU 65 -2.322 4.349 11.161 470 HG2 GLU 65 HG2 GLU 65 -2.229 6.244 9.438 471 HG3 GLU 65 HG3 GLU 65 -3.659 6.868 10.263 472 H ASN 66 H ASN 66 -5.923 3.290 10.417 473 HA ASN 66 HA ASN 66 -7.520 4.055 8.185 474 HB2 ASN 66 HB2 ASN 66 -8.073 2.115 9.584 475 HB3 ASN 66 HB3 ASN 66 -8.335 3.177 10.964 476 HD21 ASN 66 HD21 ASN 66 -9.565 2.066 7.928 477 HD22 ASN 66 HD22 ASN 66 -11.164 2.721 8.090 478 H VAL 67 H VAL 67 -8.447 5.915 7.764 479 HA VAL 67 HA VAL 67 -8.606 7.912 9.925 480 HB VAL 67 HB VAL 67 -8.487 9.644 8.184 481 HG11 VAL 67 HG11 VAL 67 -6.448 8.944 9.289 482 HG12 VAL 67 HG12 VAL 67 -6.225 7.652 8.110 483 HG13 VAL 67 HG13 VAL 67 -6.120 9.339 7.602 484 HG21 VAL 67 HG21 VAL 67 -7.885 9.047 5.888 485 HG22 VAL 67 HG22 VAL 67 -8.024 7.336 6.296 486 HG23 VAL 67 HG23 VAL 67 -9.450 8.372 6.337 487 H GLU 68 H GLU 68 -10.554 5.805 8.614 488 HA GLU 68 HA GLU 68 -12.695 7.306 7.532 489 HB2 GLU 68 HB2 GLU 68 -12.750 4.609 8.901 490 HB3 GLU 68 HB3 GLU 68 -14.066 5.294 7.959 491 HG2 GLU 68 HG2 GLU 68 -12.648 5.283 5.971 492 HG3 GLU 68 HG3 GLU 68 -11.336 4.583 6.917 493 H LYS 69 H LYS 69 -11.625 6.708 10.748 494 HA LYS 69 HA LYS 69 -14.213 7.400 11.909 495 HB2 LYS 69 HB2 LYS 69 -11.712 6.754 13.451 496 HB3 LYS 69 HB3 LYS 69 -13.388 6.571 13.951 497 HG2 LYS 69 HG2 LYS 69 -11.980 4.923 11.859 498 HG3 LYS 69 HG3 LYS 69 -12.357 4.412 13.504 499 HD2 LYS 69 HD2 LYS 69 -14.695 4.461 13.068 500 HD3 LYS 69 HD3 LYS 69 -14.452 5.274 11.522 501 HE2 LYS 69 HE2 LYS 69 -14.943 2.932 11.149 502 HE3 LYS 69 HE3 LYS 69 -13.282 3.282 10.676 503 HZ1 LYS 69 HZ1 LYS 69 -14.117 2.029 13.243 504 HZ2 LYS 69 HZ2 LYS 69 -13.454 1.210 11.913 505 HZ3 LYS 69 HZ3 LYS 69 -12.515 2.339 12.765 506 H GLU 70 H GLU 70 -11.578 9.000 10.783 507 HA GLU 70 HA GLU 70 -11.337 11.019 12.834 508 HB2 GLU 70 HB2 GLU 70 -10.256 10.859 10.011 509 HB3 GLU 70 HB3 GLU 70 -9.869 12.135 11.155 510 HG2 GLU 70 HG2 GLU 70 -9.311 9.234 11.672 511 HG3 GLU 70 HG3 GLU 70 -8.161 10.324 10.909 512 H THR 71 H THR 71 -11.704 13.340 12.274 513 HA THR 71 HA THR 71 -14.298 13.672 11.073 514 HB THR 71 HB THR 71 -14.171 15.982 11.730 515 HG1 THR 71 HG1 THR 71 -12.164 16.794 12.644 516 HG21 THR 71 HG21 THR 71 -14.575 14.387 13.551 517 HG22 THR 71 HG22 THR 71 -12.839 14.288 13.849 518 HG23 THR 71 HG23 THR 71 -13.696 15.804 14.126 519 H HIS 72 H HIS 72 -14.617 15.425 9.392 520 HA HIS 72 HA HIS 72 -13.186 14.865 7.067 521 HB2 HIS 72 HB2 HIS 72 -15.340 15.809 6.861 522 HB3 HIS 72 HB3 HIS 72 -14.930 17.192 7.864 523 HD1 HIS 72 HD1 HIS 72 -14.778 15.937 4.364 524 HD2 HIS 72 HD2 HIS 72 -13.516 19.262 6.520 525 HE1 HIS 72 HE1 HIS 72 -14.160 17.664 2.644 526 HE2 HIS 72 HE2 HIS 72 -13.381 19.667 3.961 527 H GLN 73 H GLN 73 -12.753 17.433 9.444 528 HA GLN 73 HA GLN 73 -10.711 18.853 8.118 529 HB2 GLN 73 HB2 GLN 73 -11.873 19.871 9.945 530 HB3 GLN 73 HB3 GLN 73 -11.426 18.567 11.035 531 HG2 GLN 73 HG2 GLN 73 -9.070 19.263 10.853 532 HG3 GLN 73 HG3 GLN 73 -9.574 20.614 9.838 533 HE21 GLN 73 HE21 GLN 73 -12.016 21.080 11.335 534 HE22 GLN 73 HE22 GLN 73 -11.543 21.831 12.820 535 H GLN 74 H GLN 74 -10.588 16.245 10.511 536 HA GLN 74 HA GLN 74 -7.817 16.174 10.887 537 HB2 GLN 74 HB2 GLN 74 -9.884 13.982 11.107 538 HB3 GLN 74 HB3 GLN 74 -8.223 13.822 11.659 539 HG2 GLN 74 HG2 GLN 74 -10.101 15.939 12.656 540 HG3 GLN 74 HG3 GLN 74 -9.909 14.366 13.425 541 HE21 GLN 74 HE21 GLN 74 -8.087 13.927 14.579 542 HE22 GLN 74 HE22 GLN 74 -6.929 15.138 15.017 543 H VAL 75 H VAL 75 -9.874 14.377 8.630 544 HA VAL 75 HA VAL 75 -7.819 12.766 7.566 545 HB VAL 75 HB VAL 75 -10.339 13.594 6.123 546 HG11 VAL 75 HG11 VAL 75 -8.668 12.438 4.758 547 HG12 VAL 75 HG12 VAL 75 -8.636 11.116 5.928 548 HG13 VAL 75 HG13 VAL 75 -10.104 11.443 5.007 549 HG21 VAL 75 HG21 VAL 75 -9.940 11.328 8.076 550 HG22 VAL 75 HG22 VAL 75 -10.927 12.766 8.338 551 HG23 VAL 75 HG23 VAL 75 -11.382 11.598 7.096 552 H VAL 76 H VAL 76 -9.234 15.832 6.415 553 HA VAL 76 HA VAL 76 -7.764 15.948 4.009 554 HB VAL 76 HB VAL 76 -8.996 18.187 5.626 555 HG11 VAL 76 HG11 VAL 76 -7.214 19.035 4.153 556 HG12 VAL 76 HG12 VAL 76 -7.996 18.251 2.778 557 HG13 VAL 76 HG13 VAL 76 -8.815 19.560 3.629 558 HG21 VAL 76 HG21 VAL 76 -10.770 18.071 3.939 559 HG22 VAL 76 HG22 VAL 76 -9.948 16.712 3.172 560 HG23 VAL 76 HG23 VAL 76 -10.596 16.542 4.804 561 H SER 77 H SER 77 -7.073 17.078 7.264 562 HA SER 77 HA SER 77 -4.821 18.641 6.716 563 HB2 SER 77 HB2 SER 77 -6.008 18.565 8.911 564 HB3 SER 77 HB3 SER 77 -5.316 16.970 9.195 565 HG SER 77 HG SER 77 -4.084 18.628 10.180 566 H ARG 78 H ARG 78 -5.130 15.158 7.324 567 HA ARG 78 HA ARG 78 -2.351 14.620 7.367 568 HB2 ARG 78 HB2 ARG 78 -4.640 12.780 6.672 569 HB3 ARG 78 HB3 ARG 78 -2.996 12.267 7.010 570 HG2 ARG 78 HG2 ARG 78 -3.243 13.254 9.290 571 HG3 ARG 78 HG3 ARG 78 -4.948 13.522 8.916 572 HD2 ARG 78 HD2 ARG 78 -5.155 11.095 8.420 573 HD3 ARG 78 HD3 ARG 78 -3.499 10.886 8.980 574 HE ARG 78 HE ARG 78 -5.583 11.976 10.756 575 HH11 ARG 78 HH11 ARG 78 -2.965 9.769 10.095 576 HH12 ARG 78 HH12 ARG 78 -3.116 8.913 11.603 577 HH21 ARG 78 HH21 ARG 78 -5.814 10.876 12.751 578 HH22 ARG 78 HH22 ARG 78 -4.733 9.564 13.133 579 H ILE 79 H ILE 79 -4.768 14.540 4.788 580 HA ILE 79 HA ILE 79 -3.156 13.365 2.806 581 HB ILE 79 HB ILE 79 -5.395 15.351 2.365 582 HG12 ILE 79 HG12 ILE 79 -5.528 12.331 2.577 583 HG13 ILE 79 HG13 ILE 79 -6.084 13.458 3.811 584 HG21 ILE 79 HG21 ILE 79 -4.047 14.936 0.378 585 HG22 ILE 79 HG22 ILE 79 -4.259 13.197 0.582 586 HG23 ILE 79 HG23 ILE 79 -5.649 14.216 0.206 587 HD11 ILE 79 HD11 ILE 79 -7.193 13.206 1.026 588 HD12 ILE 79 HD12 ILE 79 -7.939 12.604 2.506 589 HD13 ILE 79 HD13 ILE 79 -7.747 14.338 2.258 590 H ARG 80 H ARG 80 -3.770 16.768 3.600 591 HA ARG 80 HA ARG 80 -2.111 17.781 1.528 592 HB2 ARG 80 HB2 ARG 80 -3.305 19.027 3.987 593 HB3 ARG 80 HB3 ARG 80 -2.254 19.925 2.903 594 HG2 ARG 80 HG2 ARG 80 -3.806 19.465 1.048 595 HG3 ARG 80 HG3 ARG 80 -4.881 18.639 2.181 596 HD2 ARG 80 HD2 ARG 80 -5.228 20.660 3.420 597 HD3 ARG 80 HD3 ARG 80 -3.994 21.503 2.486 598 HE ARG 80 HE ARG 80 -6.053 20.531 0.790 599 HH11 ARG 80 HH11 ARG 80 -5.326 23.046 3.097 600 HH12 ARG 80 HH12 ARG 80 -6.434 24.192 2.402 601 HH21 ARG 80 HH21 ARG 80 -7.535 22.022 -0.129 602 HH22 ARG 80 HH22 ARG 80 -7.700 23.602 0.583 603 H ALA 81 H ALA 81 -1.479 16.599 4.705 604 HA ALA 81 HA ALA 81 0.843 18.050 5.336 605 HB1 ALA 81 HB1 ALA 81 0.115 15.253 6.191 606 HB2 ALA 81 HB2 ALA 81 1.260 16.333 6.988 607 HB3 ALA 81 HB3 ALA 81 -0.457 16.736 6.956 608 H ALA 82 H ALA 82 0.353 15.455 3.110 609 HA ALA 82 HA ALA 82 2.962 14.372 3.117 610 HB1 ALA 82 HB1 ALA 82 1.025 13.190 2.203 611 HB2 ALA 82 HB2 ALA 82 0.934 14.364 0.891 612 HB3 ALA 82 HB3 ALA 82 2.337 13.306 1.035 613 H LEU 83 H LEU 83 4.612 14.591 1.572 614 HA LEU 83 HA LEU 83 4.926 17.373 0.723 615 HB2 LEU 83 HB2 LEU 83 6.944 15.159 1.086 616 HB3 LEU 83 HB3 LEU 83 7.337 16.783 0.557 617 HG LEU 83 HG LEU 83 6.131 16.090 3.240 618 HD11 LEU 83 HD11 LEU 83 8.954 16.853 2.502 619 HD12 LEU 83 HD12 LEU 83 8.335 16.627 4.138 620 HD13 LEU 83 HD13 LEU 83 8.414 15.258 3.029 621 HD21 LEU 83 HD21 LEU 83 5.512 18.309 2.488 622 HD22 LEU 83 HD22 LEU 83 6.695 18.415 3.791 623 HD23 LEU 83 HD23 LEU 83 7.197 18.678 2.122 624 H ASN 84 H ASN 84 5.030 14.079 -0.538 625 HA ASN 84 HA ASN 84 4.849 15.205 -3.234 626 HB2 ASN 84 HB2 ASN 84 7.240 14.718 -2.888 627 HB3 ASN 84 HB3 ASN 84 6.839 13.049 -2.496 628 HD21 ASN 84 HD21 ASN 84 5.402 15.057 -5.021 629 HD22 ASN 84 HD22 ASN 84 5.951 14.092 -6.350 630 H ALA 85 H ALA 85 4.834 12.234 -1.281 631 HA ALA 85 HA ALA 85 2.579 11.300 -2.910 632 HB1 ALA 85 HB1 ALA 85 4.966 9.623 -2.147 633 HB2 ALA 85 HB2 ALA 85 3.505 9.024 -2.931 634 HB3 ALA 85 HB3 ALA 85 4.548 10.173 -3.770 635 H VAL 86 H VAL 86 1.045 10.155 -1.850 636 HA VAL 86 HA VAL 86 1.429 9.437 0.947 637 HB VAL 86 HB VAL 86 0.634 11.700 1.143 638 HG11 VAL 86 HG11 VAL 86 -1.632 10.924 -0.686 639 HG12 VAL 86 HG12 VAL 86 -1.459 12.471 0.147 640 HG13 VAL 86 HG13 VAL 86 -0.285 11.993 -1.079 641 HG21 VAL 86 HG21 VAL 86 -1.459 11.398 2.364 642 HG22 VAL 86 HG22 VAL 86 -1.656 9.803 1.640 643 HG23 VAL 86 HG23 VAL 86 -0.311 10.113 2.735 644 H ARG 87 H ARG 87 -0.112 7.876 1.678 645 HA ARG 87 HA ARG 87 -1.185 6.292 -0.512 646 HB2 ARG 87 HB2 ARG 87 -0.901 5.701 2.436 647 HB3 ARG 87 HB3 ARG 87 -1.605 4.588 1.271 648 HG2 ARG 87 HG2 ARG 87 0.527 4.515 0.068 649 HG3 ARG 87 HG3 ARG 87 1.225 5.610 1.265 650 HD2 ARG 87 HD2 ARG 87 0.804 3.986 3.024 651 HD3 ARG 87 HD3 ARG 87 0.044 2.900 1.863 652 HE ARG 87 HE ARG 87 2.550 3.317 0.853 653 HH11 ARG 87 HH11 ARG 87 1.268 2.200 3.916 654 HH12 ARG 87 HH12 ARG 87 2.629 1.173 4.259 655 HH21 ARG 87 HH21 ARG 87 4.346 1.940 1.305 656 HH22 ARG 87 HH22 ARG 87 4.367 1.044 2.797 657 H LEU 88 H LEU 88 -3.186 6.538 -1.128 658 HA LEU 88 HA LEU 88 -5.240 7.148 0.891 659 HB2 LEU 88 HB2 LEU 88 -5.174 7.851 -2.054 660 HB3 LEU 88 HB3 LEU 88 -6.591 8.028 -1.045 661 HG LEU 88 HG LEU 88 -5.616 10.181 -1.321 662 HD11 LEU 88 HD11 LEU 88 -6.483 9.772 0.895 663 HD12 LEU 88 HD12 LEU 88 -4.932 9.107 1.409 664 HD13 LEU 88 HD13 LEU 88 -5.064 10.814 0.988 665 HD21 LEU 88 HD21 LEU 88 -3.337 10.729 -0.760 666 HD22 LEU 88 HD22 LEU 88 -3.018 9.054 -0.309 667 HD23 LEU 88 HD23 LEU 88 -3.376 9.463 -1.985 668 H LEU 89 H LEU 89 -5.997 5.106 1.377 669 HA LEU 89 HA LEU 89 -6.631 3.291 -0.803 670 HB2 LEU 89 HB2 LEU 89 -5.791 2.408 1.355 671 HB3 LEU 89 HB3 LEU 89 -7.231 3.020 2.146 672 HG LEU 89 HG LEU 89 -8.613 1.511 0.745 673 HD11 LEU 89 HD11 LEU 89 -7.107 1.309 -1.160 674 HD12 LEU 89 HD12 LEU 89 -5.953 0.425 -0.161 675 HD13 LEU 89 HD13 LEU 89 -7.533 -0.277 -0.514 676 HD21 LEU 89 HD21 LEU 89 -8.008 -0.550 1.892 677 HD22 LEU 89 HD22 LEU 89 -6.437 0.136 2.311 678 HD23 LEU 89 HD23 LEU 89 -7.912 0.833 2.982 679 H VAL 90 H VAL 90 -8.594 3.061 -1.711 680 HA VAL 90 HA VAL 90 -10.808 4.605 -0.548 681 HB VAL 90 HB VAL 90 -11.456 5.267 -2.897 682 HG11 VAL 90 HG11 VAL 90 -9.879 7.142 -2.988 683 HG12 VAL 90 HG12 VAL 90 -10.464 6.854 -1.350 684 HG13 VAL 90 HG13 VAL 90 -8.847 6.322 -1.818 685 HG21 VAL 90 HG21 VAL 90 -10.112 3.658 -4.132 686 HG22 VAL 90 HG22 VAL 90 -9.670 5.304 -4.591 687 HG23 VAL 90 HG23 VAL 90 -8.632 4.385 -3.500 688 H VAL 91 H VAL 91 -12.905 3.928 -1.114 689 HA VAL 91 HA VAL 91 -13.213 1.470 -2.624 690 HB VAL 91 HB VAL 91 -12.768 0.558 -0.440 691 HG11 VAL 91 HG11 VAL 91 -14.088 1.125 1.532 692 HG12 VAL 91 HG12 VAL 91 -13.224 2.531 0.907 693 HG13 VAL 91 HG13 VAL 91 -14.954 2.351 0.606 694 HG21 VAL 91 HG21 VAL 91 -15.733 0.498 -0.985 695 HG22 VAL 91 HG22 VAL 91 -14.520 -0.557 -1.709 696 HG23 VAL 91 HG23 VAL 91 -14.850 -0.647 0.022 697 H ASP 92 H ASP 92 -15.132 1.395 -3.672 698 HA ASP 92 HA ASP 92 -16.937 3.541 -3.739 699 HB2 ASP 92 HB2 ASP 92 -17.525 0.650 -4.429 700 HB3 ASP 92 HB3 ASP 92 -18.434 2.052 -4.972 701 HA PRO 93 HA PRO 93 -19.290 2.847 0.031 702 HB2 PRO 93 HB2 PRO 93 -21.354 4.310 -1.524 703 HB3 PRO 93 HB3 PRO 93 -20.726 4.632 0.098 704 HG2 PRO 93 HG2 PRO 93 -20.013 6.159 -1.970 705 HG3 PRO 93 HG3 PRO 93 -18.850 5.731 -0.702 706 HD2 PRO 93 HD2 PRO 93 -19.132 4.635 -3.469 707 HD3 PRO 93 HD3 PRO 93 -17.663 4.965 -2.526 708 H GLU 94 H GLU 94 -20.419 2.231 -3.230 709 HA GLU 94 HA GLU 94 -22.657 0.617 -2.504 710 HB2 GLU 94 HB2 GLU 94 -21.059 0.589 -5.068 711 HB3 GLU 94 HB3 GLU 94 -22.700 0.001 -4.851 712 HG2 GLU 94 HG2 GLU 94 -23.555 2.182 -4.592 713 HG3 GLU 94 HG3 GLU 94 -21.942 2.871 -4.412 714 H THR 95 H THR 95 -19.368 -0.087 -3.629 715 HA THR 95 HA THR 95 -19.638 -2.905 -3.393 716 HB THR 95 HB THR 95 -16.972 -1.534 -3.417 717 HG1 THR 95 HG1 THR 95 -17.219 -1.034 -5.541 718 HG21 THR 95 HG21 THR 95 -16.425 -3.442 -4.882 719 HG22 THR 95 HG22 THR 95 -17.033 -3.971 -3.314 720 HG23 THR 95 HG23 THR 95 -18.086 -4.018 -4.729 721 H ASP 96 H ASP 96 -18.716 -0.352 -1.235 722 HA ASP 96 HA ASP 96 -17.260 -1.752 0.688 723 HB2 ASP 96 HB2 ASP 96 -17.445 0.663 0.752 724 HB3 ASP 96 HB3 ASP 96 -19.183 0.564 1.001 725 H GLU 97 H GLU 97 -20.709 -1.547 0.134 726 HA GLU 97 HA GLU 97 -21.589 -2.931 2.434 727 HB2 GLU 97 HB2 GLU 97 -23.062 -1.643 0.881 728 HB3 GLU 97 HB3 GLU 97 -22.824 -2.894 -0.330 729 HG2 GLU 97 HG2 GLU 97 -23.777 -4.516 1.364 730 HG3 GLU 97 HG3 GLU 97 -24.267 -3.099 2.291 731 H GLN 98 H GLN 98 -20.731 -3.958 -0.829 732 HA GLN 98 HA GLN 98 -21.091 -6.720 -0.536 733 HB2 GLN 98 HB2 GLN 98 -20.789 -5.608 -2.705 734 HB3 GLN 98 HB3 GLN 98 -19.133 -5.206 -2.277 735 HG2 GLN 98 HG2 GLN 98 -19.174 -7.077 -3.792 736 HG3 GLN 98 HG3 GLN 98 -18.583 -7.591 -2.214 737 HE21 GLN 98 HE21 GLN 98 -19.766 -9.013 -1.010 738 HE22 GLN 98 HE22 GLN 98 -21.122 -9.881 -1.644 739 H LEU 99 H LEU 99 -18.353 -4.618 0.187 740 HA LEU 99 HA LEU 99 -16.499 -6.644 0.837 741 HB2 LEU 99 HB2 LEU 99 -16.647 -3.832 1.897 742 HB3 LEU 99 HB3 LEU 99 -15.260 -4.900 2.009 743 HG LEU 99 HG LEU 99 -16.316 -3.408 -0.342 744 HD11 LEU 99 HD11 LEU 99 -13.571 -4.068 0.670 745 HD12 LEU 99 HD12 LEU 99 -13.943 -3.008 -0.691 746 HD13 LEU 99 HD13 LEU 99 -14.443 -2.560 0.940 747 HD21 LEU 99 HD21 LEU 99 -16.384 -5.712 -1.127 748 HD22 LEU 99 HD22 LEU 99 -15.053 -4.835 -1.882 749 HD23 LEU 99 HD23 LEU 99 -14.730 -5.965 -0.567 750 H GLN 100 H GLN 100 -18.942 -4.948 2.735 751 HA GLN 100 HA GLN 100 -18.317 -6.142 5.222 752 HB2 GLN 100 HB2 GLN 100 -20.880 -4.983 4.135 753 HB3 GLN 100 HB3 GLN 100 -20.735 -5.600 5.775 754 HG2 GLN 100 HG2 GLN 100 -18.955 -3.974 6.217 755 HG3 GLN 100 HG3 GLN 100 -19.143 -3.340 4.583 756 HE21 GLN 100 HE21 GLN 100 -21.852 -4.402 6.495 757 HE22 GLN 100 HE22 GLN 100 -22.533 -2.834 6.768 758 H LYS 101 H LYS 101 -20.291 -7.148 2.494 759 HA LYS 101 HA LYS 101 -21.447 -9.438 3.666 760 HB2 LYS 101 HB2 LYS 101 -20.710 -8.910 0.779 761 HB3 LYS 101 HB3 LYS 101 -21.708 -10.247 1.327 762 HG2 LYS 101 HG2 LYS 101 -22.388 -7.339 1.693 763 HG3 LYS 101 HG3 LYS 101 -23.002 -8.369 0.398 764 HD2 LYS 101 HD2 LYS 101 -23.970 -9.871 2.115 765 HD3 LYS 101 HD3 LYS 101 -23.442 -8.736 3.360 766 HE2 LYS 101 HE2 LYS 101 -25.790 -8.396 2.813 767 HE3 LYS 101 HE3 LYS 101 -24.828 -6.989 2.362 768 HZ1 LYS 101 HZ1 LYS 101 -25.722 -9.122 0.490 769 HZ2 LYS 101 HZ2 LYS 101 -26.436 -7.589 0.648 770 HZ3 LYS 101 HZ3 LYS 101 -24.849 -7.728 0.073 771 H LEU 102 H LEU 102 -18.366 -8.863 2.049 772 HA LEU 102 HA LEU 102 -17.457 -11.534 2.012 773 HB2 LEU 102 HB2 LEU 102 -15.711 -9.102 2.377 774 HB3 LEU 102 HB3 LEU 102 -15.255 -10.645 1.684 775 HG LEU 102 HG LEU 102 -17.065 -8.568 0.450 776 HD11 LEU 102 HD11 LEU 102 -14.354 -9.619 -0.330 777 HD12 LEU 102 HD12 LEU 102 -15.324 -8.486 -1.273 778 HD13 LEU 102 HD13 LEU 102 -14.717 -8.018 0.317 779 HD21 LEU 102 HD21 LEU 102 -17.175 -10.041 -1.494 780 HD22 LEU 102 HD22 LEU 102 -16.296 -11.284 -0.604 781 HD23 LEU 102 HD23 LEU 102 -17.903 -10.789 -0.073 782 H GLY 103 H GLY 103 -16.969 -8.905 4.333 783 HA2 GLY 103 HA2 GLY 103 -17.019 -9.043 6.649 784 HA3 GLY 103 HA3 GLY 103 -17.117 -10.790 6.518 785 H VAL 104 H VAL 104 -14.658 -10.412 4.635 786 HA VAL 104 HA VAL 104 -12.767 -10.884 6.794 787 HB VAL 104 HB VAL 104 -11.292 -11.802 5.123 788 HG11 VAL 104 HG11 VAL 104 -12.677 -13.647 4.295 789 HG12 VAL 104 HG12 VAL 104 -13.005 -13.268 5.987 790 HG13 VAL 104 HG13 VAL 104 -14.125 -12.738 4.731 791 HG21 VAL 104 HG21 VAL 104 -11.650 -10.272 3.308 792 HG22 VAL 104 HG22 VAL 104 -11.969 -11.915 2.743 793 HG23 VAL 104 HG23 VAL 104 -13.314 -10.832 3.109 794 H GLN 105 H GLN 105 -10.421 -10.300 5.699 795 HA GLN 105 HA GLN 105 -10.376 -7.401 6.017 796 HB2 GLN 105 HB2 GLN 105 -8.226 -9.519 6.129 797 HB3 GLN 105 HB3 GLN 105 -7.964 -7.812 6.468 798 HG2 GLN 105 HG2 GLN 105 -9.192 -7.897 8.446 799 HG3 GLN 105 HG3 GLN 105 -9.997 -9.396 7.989 800 HE21 GLN 105 HE21 GLN 105 -7.506 -10.643 7.094 801 HE22 GLN 105 HE22 GLN 105 -6.655 -11.079 8.535 802 H VAL 106 H VAL 106 -11.301 -8.055 3.552 803 HA VAL 106 HA VAL 106 -9.434 -8.673 1.564 804 HB VAL 106 HB VAL 106 -11.814 -8.859 1.145 805 HG11 VAL 106 HG11 VAL 106 -13.238 -6.896 0.818 806 HG12 VAL 106 HG12 VAL 106 -12.606 -6.977 2.463 807 HG13 VAL 106 HG13 VAL 106 -11.904 -5.850 1.303 808 HG21 VAL 106 HG21 VAL 106 -11.945 -7.746 -1.064 809 HG22 VAL 106 HG22 VAL 106 -10.486 -6.842 -0.664 810 HG23 VAL 106 HG23 VAL 106 -10.423 -8.597 -0.808 811 H ARG 107 H ARG 107 -10.222 -5.632 3.086 812 HA ARG 107 HA ARG 107 -9.088 -3.990 1.021 813 HB2 ARG 107 HB2 ARG 107 -10.006 -3.368 3.831 814 HB3 ARG 107 HB3 ARG 107 -9.472 -2.152 2.676 815 HG2 ARG 107 HG2 ARG 107 -11.380 -2.246 1.485 816 HG3 ARG 107 HG3 ARG 107 -11.569 -3.982 1.723 817 HD2 ARG 107 HD2 ARG 107 -13.364 -2.769 2.818 818 HD3 ARG 107 HD3 ARG 107 -12.348 -3.580 4.007 819 HE ARG 107 HE ARG 107 -11.312 -1.350 4.388 820 HH11 ARG 107 HH11 ARG 107 -14.508 -1.603 3.018 821 HH12 ARG 107 HH12 ARG 107 -15.061 -0.078 3.627 822 HH21 ARG 107 HH21 ARG 107 -12.004 0.659 5.226 823 HH22 ARG 107 HH22 ARG 107 -13.603 1.239 4.886 824 H GLU 108 H GLU 108 -7.858 -5.635 3.775 825 HA GLU 108 HA GLU 108 -5.421 -3.991 3.707 826 HB2 GLU 108 HB2 GLU 108 -6.497 -5.762 5.906 827 HB3 GLU 108 HB3 GLU 108 -4.950 -4.932 5.964 828 HG2 GLU 108 HG2 GLU 108 -6.419 -3.616 7.224 829 HG3 GLU 108 HG3 GLU 108 -6.247 -2.776 5.683 830 H GLU 109 H GLU 109 -6.640 -7.298 3.710 831 HA GLU 109 HA GLU 109 -4.128 -8.591 3.805 832 HB2 GLU 109 HB2 GLU 109 -6.280 -9.671 4.384 833 HB3 GLU 109 HB3 GLU 109 -6.754 -9.603 2.692 834 HG2 GLU 109 HG2 GLU 109 -6.010 -11.808 3.157 835 HG3 GLU 109 HG3 GLU 109 -4.784 -11.029 2.157 836 H LEU 110 H LEU 110 -6.315 -7.898 1.073 837 HA LEU 110 HA LEU 110 -4.505 -9.044 -0.829 838 HB2 LEU 110 HB2 LEU 110 -6.966 -7.350 -1.228 839 HB3 LEU 110 HB3 LEU 110 -6.078 -8.134 -2.522 840 HG LEU 110 HG LEU 110 -7.558 -9.500 -0.278 841 HD11 LEU 110 HD11 LEU 110 -8.988 -8.578 -2.022 842 HD12 LEU 110 HD12 LEU 110 -8.047 -9.428 -3.246 843 HD13 LEU 110 HD13 LEU 110 -8.978 -10.341 -2.060 844 HD21 LEU 110 HD21 LEU 110 -5.508 -10.710 -0.846 845 HD22 LEU 110 HD22 LEU 110 -6.945 -11.591 -1.367 846 HD23 LEU 110 HD23 LEU 110 -5.978 -10.706 -2.545 847 H LEU 111 H LEU 111 -4.900 -5.995 0.625 848 HA LEU 111 HA LEU 111 -3.687 -4.342 -1.308 849 HB2 LEU 111 HB2 LEU 111 -4.966 -3.694 0.816 850 HB3 LEU 111 HB3 LEU 111 -3.477 -4.015 1.681 851 HG LEU 111 HG LEU 111 -2.358 -2.288 0.263 852 HD11 LEU 111 HD11 LEU 111 -3.850 -0.684 -0.901 853 HD12 LEU 111 HD12 LEU 111 -3.816 -2.282 -1.644 854 HD13 LEU 111 HD13 LEU 111 -5.189 -1.799 -0.646 855 HD21 LEU 111 HD21 LEU 111 -4.726 -1.393 1.904 856 HD22 LEU 111 HD22 LEU 111 -3.117 -1.770 2.514 857 HD23 LEU 111 HD23 LEU 111 -3.351 -0.381 1.453 858 H ARG 112 H ARG 112 -2.503 -6.787 0.759 859 HA ARG 112 HA ARG 112 0.268 -6.107 0.082 860 HB2 ARG 112 HB2 ARG 112 -0.789 -6.919 2.788 861 HB3 ARG 112 HB3 ARG 112 0.920 -6.891 2.373 862 HG2 ARG 112 HG2 ARG 112 -0.860 -4.480 2.165 863 HG3 ARG 112 HG3 ARG 112 0.064 -4.884 3.614 864 HD2 ARG 112 HD2 ARG 112 1.384 -4.675 0.930 865 HD3 ARG 112 HD3 ARG 112 1.102 -3.243 1.923 866 HE ARG 112 HE ARG 112 2.487 -4.269 3.637 867 HH11 ARG 112 HH11 ARG 112 2.689 -5.689 0.435 868 HH12 ARG 112 HH12 ARG 112 4.280 -6.342 0.689 869 HH21 ARG 112 HH21 ARG 112 4.575 -5.112 3.962 870 HH22 ARG 112 HH22 ARG 112 5.337 -6.031 2.698 871 H ALA 113 H ALA 113 -1.458 -7.962 -1.206 872 HA ALA 113 HA ALA 113 0.212 -10.300 -1.025 873 HB1 ALA 113 HB1 ALA 113 -2.720 -10.574 -0.385 874 HB2 ALA 113 HB2 ALA 113 -1.552 -11.890 -0.530 875 HB3 ALA 113 HB3 ALA 113 -1.397 -10.709 0.774 876 H GLN 114 H GLN 114 0.684 -10.554 -3.099 877 HA GLN 114 HA GLN 114 -1.471 -10.342 -5.092 878 HB2 GLN 114 HB2 GLN 114 0.276 -10.122 -6.766 879 HB3 GLN 114 HB3 GLN 114 0.513 -8.934 -5.491 880 HG2 GLN 114 HG2 GLN 114 2.251 -10.341 -4.507 881 HG3 GLN 114 HG3 GLN 114 2.015 -11.526 -5.789 882 HE21 GLN 114 HE21 GLN 114 4.391 -9.997 -5.062 883 HE22 GLN 114 HE22 GLN 114 4.850 -9.126 -6.484 884 H GLU 115 H GLU 115 -0.879 -11.912 -7.071 885 HA GLU 115 HA GLU 115 -0.356 -14.581 -5.959 886 HB2 GLU 115 HB2 GLU 115 -2.311 -15.503 -6.969 887 HB3 GLU 115 HB3 GLU 115 -2.829 -14.083 -6.073 888 HG2 GLU 115 HG2 GLU 115 -2.301 -14.098 -9.034 889 HG3 GLU 115 HG3 GLU 115 -3.884 -14.375 -8.319 890 H ALA 116 H ALA 116 -0.264 -16.227 -7.820 891 HA ALA 116 HA ALA 116 1.080 -15.037 -10.151 892 HB1 ALA 116 HB1 ALA 116 1.301 -17.836 -9.035 893 HB2 ALA 116 HB2 ALA 116 2.139 -17.232 -10.464 894 HB3 ALA 116 HB3 ALA 116 2.503 -16.556 -8.877 895 HA PRO 117 HA PRO 117 -2.947 -16.407 -11.721 896 HB2 PRO 117 HB2 PRO 117 -3.194 -14.590 -13.672 897 HB3 PRO 117 HB3 PRO 117 -3.410 -14.158 -11.970 898 HG2 PRO 117 HG2 PRO 117 -1.028 -13.756 -13.738 899 HG3 PRO 117 HG3 PRO 117 -1.750 -12.638 -12.567 900 HD2 PRO 117 HD2 PRO 117 0.461 -14.179 -12.055 901 HD3 PRO 117 HD3 PRO 117 -0.650 -13.593 -10.801 902 H GLY 118 H GLY 118 -0.048 -17.139 -12.793 903 HA2 GLY 118 HA2 GLY 118 -0.650 -17.713 -15.572 904 HA3 GLY 118 HA3 GLY 118 0.840 -18.103 -14.723 905 H GLN 119 H GLN 119 -2.554 -18.948 -14.091 906 HA GLN 119 HA GLN 119 -1.741 -21.715 -13.676 907 HB2 GLN 119 HB2 GLN 119 -4.477 -20.480 -13.322 908 HB3 GLN 119 HB3 GLN 119 -3.951 -22.053 -12.746 909 HG2 GLN 119 HG2 GLN 119 -2.282 -20.859 -11.303 910 HG3 GLN 119 HG3 GLN 119 -3.076 -19.354 -11.762 911 HE21 GLN 119 HE21 GLN 119 -3.786 -18.870 -9.705 912 HE22 GLN 119 HE22 GLN 119 -5.032 -19.769 -8.905 913 H ALA 120 H ALA 120 -1.427 -22.616 -15.657 914 HA ALA 120 HA ALA 120 -3.834 -23.045 -17.246 915 HB1 ALA 120 HB1 ALA 120 -2.695 -21.172 -18.341 916 HB2 ALA 120 HB2 ALA 120 -1.225 -22.138 -18.470 917 HB3 ALA 120 HB3 ALA 120 -2.675 -22.616 -19.352 918 H1 GLN 1 HT1 GLN 1 -19.506 22.676 4.749 919 H2 GLN 1 HT2 GLN 1 -18.945 21.094 4.501 920 H3 GLN 1 HT3 GLN 1 -19.486 22.018 3.187 921 HA GLN 1 HA GLN 1 -17.684 23.578 3.497 922 HB2 GLN 1 HB2 GLN 1 -16.881 21.642 5.676 923 HB3 GLN 1 HB3 GLN 1 -15.800 22.859 5.004 924 HG2 GLN 1 HG2 GLN 1 -17.418 24.602 5.710 925 HG3 GLN 1 HG3 GLN 1 -18.360 23.342 6.504 926 HE21 GLN 1 HE21 GLN 1 -15.962 21.866 7.324 927 HE22 GLN 1 HE22 GLN 1 -15.289 22.763 8.642 928 H ASP 2 H ASP 2 -17.545 22.834 1.371 929 HA ASP 2 HA ASP 2 -16.315 20.334 0.713 930 HB2 ASP 2 HB2 ASP 2 -17.826 21.494 -0.856 931 HB3 ASP 2 HB3 ASP 2 -16.675 22.822 -0.976 932 H THR 3 H THR 3 -14.197 19.884 0.297 933 HA THR 3 HA THR 3 -12.295 22.116 0.478 934 HB THR 3 HB THR 3 -11.841 19.462 1.844 935 HG1 THR 3 HG1 THR 3 -13.075 21.835 2.743 936 HG21 THR 3 HG21 THR 3 -10.088 20.731 3.032 937 HG22 THR 3 HG22 THR 3 -9.815 20.688 1.290 938 HG23 THR 3 HG23 THR 3 -10.463 22.144 2.044 939 H ARG 4 H ARG 4 -11.200 22.175 -1.376 940 HA ARG 4 HA ARG 4 -10.728 19.761 -2.914 941 HB2 ARG 4 HB2 ARG 4 -11.175 21.917 -4.061 942 HB3 ARG 4 HB3 ARG 4 -9.696 22.576 -3.369 943 HG2 ARG 4 HG2 ARG 4 -8.451 20.732 -4.552 944 HG3 ARG 4 HG3 ARG 4 -9.959 20.356 -5.388 945 HD2 ARG 4 HD2 ARG 4 -8.633 21.772 -6.796 946 HD3 ARG 4 HD3 ARG 4 -10.019 22.694 -6.215 947 HE ARG 4 HE ARG 4 -7.788 23.063 -4.505 948 HH11 ARG 4 HH11 ARG 4 -8.923 23.955 -7.708 949 HH12 ARG 4 HH12 ARG 4 -8.111 25.489 -7.700 950 HH21 ARG 4 HH21 ARG 4 -6.722 25.067 -4.506 951 HH22 ARG 4 HH22 ARG 4 -6.860 26.125 -5.879 952 H LEU 5 H LEU 5 -9.008 18.502 -2.686 953 HA LEU 5 HA LEU 5 -6.893 19.233 -0.880 954 HB2 LEU 5 HB2 LEU 5 -7.523 16.800 -2.516 955 HB3 LEU 5 HB3 LEU 5 -5.949 16.981 -1.775 956 HG LEU 5 HG LEU 5 -7.334 15.606 -0.372 957 HD11 LEU 5 HD11 LEU 5 -5.769 17.102 0.729 958 HD12 LEU 5 HD12 LEU 5 -7.010 18.353 0.816 959 HD13 LEU 5 HD13 LEU 5 -7.210 16.849 1.716 960 HD21 LEU 5 HD21 LEU 5 -9.395 16.430 0.649 961 HD22 LEU 5 HD22 LEU 5 -9.280 17.911 -0.303 962 HD23 LEU 5 HD23 LEU 5 -9.530 16.361 -1.109 Start of MODEL 7 1 H1 GLY 4 HT1 GLY 4 -27.123 -13.714 -1.855 2 H2 GLY 4 HT2 GLY 4 -25.437 -13.510 -1.913 3 H3 GLY 4 HT3 GLY 4 -26.133 -14.481 -0.716 4 HA2 GLY 4 HA3 GLY 4 -26.783 -16.123 -2.271 5 HA3 GLY 4 HA2 GLY 4 -26.339 -15.070 -3.609 6 H ILE 5 H ILE 5 -24.639 -15.950 -4.581 7 HA ILE 5 HA ILE 5 -22.574 -17.298 -3.060 8 HB ILE 5 HB ILE 5 -21.468 -17.640 -5.242 9 HG12 ILE 5 HG12 ILE 5 -23.177 -17.079 -7.226 10 HG13 ILE 5 HG13 ILE 5 -23.586 -15.755 -6.144 11 HG21 ILE 5 HG21 ILE 5 -23.103 -19.252 -4.424 12 HG22 ILE 5 HG22 ILE 5 -24.394 -18.362 -5.230 13 HG23 ILE 5 HG23 ILE 5 -23.137 -19.150 -6.183 14 HD11 ILE 5 HD11 ILE 5 -21.242 -15.049 -6.141 15 HD12 ILE 5 HD12 ILE 5 -20.858 -16.363 -7.254 16 HD13 ILE 5 HD13 ILE 5 -21.933 -15.062 -7.764 17 H ASP 6 H ASP 6 -20.236 -16.700 -3.658 18 HA ASP 6 HA ASP 6 -19.962 -13.783 -3.703 19 HB2 ASP 6 HB2 ASP 6 -18.075 -13.975 -2.128 20 HB3 ASP 6 HB3 ASP 6 -19.597 -14.489 -1.416 21 HA PRO 7 HA PRO 7 -16.988 -14.873 -6.891 22 HB2 PRO 7 HB2 PRO 7 -17.224 -12.570 -8.243 23 HB3 PRO 7 HB3 PRO 7 -18.456 -13.831 -8.369 24 HG2 PRO 7 HG2 PRO 7 -18.501 -11.278 -6.840 25 HG3 PRO 7 HG3 PRO 7 -19.821 -12.107 -7.681 26 HD2 PRO 7 HD2 PRO 7 -19.322 -12.194 -4.932 27 HD3 PRO 7 HD3 PRO 7 -20.358 -13.316 -5.834 28 H PHE 8 H PHE 8 -15.027 -13.561 -7.641 29 HA PHE 8 HA PHE 8 -13.750 -12.464 -5.292 30 HB2 PHE 8 HB2 PHE 8 -12.630 -13.969 -7.026 31 HB3 PHE 8 HB3 PHE 8 -12.582 -12.552 -8.070 32 HD1 PHE 8 HD1 PHE 8 -12.126 -12.510 -4.408 33 HD2 PHE 8 HD2 PHE 8 -10.240 -12.297 -8.224 34 HE1 PHE 8 HE1 PHE 8 -10.023 -11.822 -3.332 35 HE2 PHE 8 HE2 PHE 8 -8.138 -11.603 -7.148 36 HZ PHE 8 HZ PHE 8 -8.025 -11.368 -4.701 37 H THR 9 H THR 9 -15.669 -10.852 -5.532 38 HA THR 9 HA THR 9 -14.979 -8.544 -7.196 39 HB THR 9 HB THR 9 -17.297 -9.366 -7.183 40 HG1 THR 9 HG1 THR 9 -16.725 -6.782 -6.181 41 HG21 THR 9 HG21 THR 9 -18.704 -9.037 -5.179 42 HG22 THR 9 HG22 THR 9 -17.439 -10.240 -4.933 43 HG23 THR 9 HG23 THR 9 -17.257 -8.618 -4.262 44 H MET 10 H MET 10 -14.271 -9.737 -4.264 45 HA MET 10 HA MET 10 -14.516 -7.389 -2.638 46 HB2 MET 10 HB2 MET 10 -13.268 -8.745 -0.959 47 HB3 MET 10 HB3 MET 10 -14.726 -9.517 -1.564 48 HG2 MET 10 HG2 MET 10 -13.330 -10.875 -3.085 49 HG3 MET 10 HG3 MET 10 -11.893 -10.145 -2.371 50 HE1 MET 10 HE1 MET 10 -12.331 -13.300 -2.514 51 HE2 MET 10 HE2 MET 10 -10.913 -12.549 -1.782 52 HE3 MET 10 HE3 MET 10 -11.815 -13.780 -0.898 53 H LEU 11 H LEU 11 -13.270 -6.174 -4.437 54 HA LEU 11 HA LEU 11 -10.441 -6.124 -3.641 55 HB2 LEU 11 HB2 LEU 11 -11.442 -5.880 -6.474 56 HB3 LEU 11 HB3 LEU 11 -9.774 -5.739 -5.956 57 HG LEU 11 HG LEU 11 -11.440 -8.247 -5.739 58 HD11 LEU 11 HD11 LEU 11 -9.244 -7.519 -7.667 59 HD12 LEU 11 HD12 LEU 11 -10.046 -9.084 -7.551 60 HD13 LEU 11 HD13 LEU 11 -10.956 -7.663 -8.061 61 HD21 LEU 11 HD21 LEU 11 -9.296 -9.317 -5.232 62 HD22 LEU 11 HD22 LEU 11 -8.509 -7.738 -5.253 63 HD23 LEU 11 HD23 LEU 11 -9.721 -8.107 -4.024 64 HA PRO 12 HA PRO 12 -11.400 -1.726 -3.636 65 HB2 PRO 12 HB2 PRO 12 -9.658 -1.053 -1.730 66 HB3 PRO 12 HB3 PRO 12 -11.143 -1.922 -1.327 67 HG2 PRO 12 HG2 PRO 12 -8.351 -2.909 -1.451 68 HG3 PRO 12 HG3 PRO 12 -9.694 -3.457 -0.438 69 HD2 PRO 12 HD2 PRO 12 -8.765 -4.624 -2.865 70 HD3 PRO 12 HD3 PRO 12 -10.193 -5.089 -1.921 71 H ARG 13 H ARG 13 -9.486 0.162 -3.385 72 HA ARG 13 HA ARG 13 -7.186 -0.648 -4.987 73 HB2 ARG 13 HB2 ARG 13 -7.386 1.427 -6.387 74 HB3 ARG 13 HB3 ARG 13 -8.587 0.191 -6.709 75 HG2 ARG 13 HG2 ARG 13 -9.236 2.428 -4.845 76 HG3 ARG 13 HG3 ARG 13 -9.273 2.690 -6.590 77 HD2 ARG 13 HD2 ARG 13 -10.798 0.730 -6.781 78 HD3 ARG 13 HD3 ARG 13 -10.851 0.657 -5.022 79 HE ARG 13 HE ARG 13 -11.669 3.128 -5.345 80 HH11 ARG 13 HH11 ARG 13 -12.483 0.361 -7.323 81 HH12 ARG 13 HH12 ARG 13 -14.066 0.946 -7.715 82 HH21 ARG 13 HH21 ARG 13 -13.716 3.921 -5.877 83 HH22 ARG 13 HH22 ARG 13 -14.791 2.970 -6.877 84 H LEU 14 H LEU 14 -5.352 0.112 -4.255 85 HA LEU 14 HA LEU 14 -5.394 2.241 -2.243 86 HB2 LEU 14 HB2 LEU 14 -4.164 0.180 -1.716 87 HB3 LEU 14 HB3 LEU 14 -3.162 0.407 -3.137 88 HG LEU 14 HG LEU 14 -2.321 2.533 -2.131 89 HD11 LEU 14 HD11 LEU 14 -3.840 1.554 0.284 90 HD12 LEU 14 HD12 LEU 14 -2.673 2.877 0.277 91 HD13 LEU 14 HD13 LEU 14 -4.171 3.018 -0.644 92 HD21 LEU 14 HD21 LEU 14 -0.843 1.437 -0.529 93 HD22 LEU 14 HD22 LEU 14 -1.910 0.033 -0.498 94 HD23 LEU 14 HD23 LEU 14 -1.055 0.456 -1.981 95 H CYS 15 H CYS 15 -5.078 4.255 -2.917 96 HA CYS 15 HA CYS 15 -3.841 4.623 -5.552 97 HB2 CYS 15 HB2 CYS 15 -5.691 6.429 -3.985 98 HB3 CYS 15 HB3 CYS 15 -5.012 6.807 -5.566 99 HG CYS 15 HG CYS 15 -7.636 4.909 -4.775 100 H CYS 16 H CYS 16 -1.757 5.110 -5.426 101 HA CYS 16 HA CYS 16 -0.711 6.691 -3.247 102 HB2 CYS 16 HB2 CYS 16 1.435 6.510 -4.637 103 HB3 CYS 16 HB3 CYS 16 0.774 5.009 -3.999 104 HG CYS 16 HG CYS 16 0.242 6.082 -7.202 105 H LEU 17 H LEU 17 -1.172 8.778 -3.247 106 HA LEU 17 HA LEU 17 -1.560 10.194 -5.762 107 HB2 LEU 17 HB2 LEU 17 -2.190 10.792 -2.901 108 HB3 LEU 17 HB3 LEU 17 -2.082 12.109 -4.050 109 HG LEU 17 HG LEU 17 -4.380 11.505 -3.824 110 HD11 LEU 17 HD11 LEU 17 -3.706 12.120 -6.048 111 HD12 LEU 17 HD12 LEU 17 -3.260 10.451 -6.408 112 HD13 LEU 17 HD13 LEU 17 -4.949 10.872 -6.122 113 HD21 LEU 17 HD21 LEU 17 -3.554 8.688 -4.507 114 HD22 LEU 17 HD22 LEU 17 -4.124 9.261 -2.939 115 HD23 LEU 17 HD23 LEU 17 -5.213 9.259 -4.326 116 H GLU 18 H GLU 18 -0.199 11.598 -6.598 117 HA GLU 18 HA GLU 18 2.328 12.116 -5.249 118 HB2 GLU 18 HB2 GLU 18 1.425 13.001 -7.996 119 HB3 GLU 18 HB3 GLU 18 3.063 13.038 -7.365 120 HG2 GLU 18 HG2 GLU 18 3.119 10.613 -7.318 121 HG3 GLU 18 HG3 GLU 18 1.458 10.552 -7.911 122 H LYS 19 H LYS 19 2.882 14.075 -4.415 123 HA LYS 19 HA LYS 19 0.895 16.133 -4.230 124 HB2 LYS 19 HB2 LYS 19 2.477 15.804 -2.402 125 HB3 LYS 19 HB3 LYS 19 3.826 16.154 -3.474 126 HG2 LYS 19 HG2 LYS 19 3.292 18.055 -2.036 127 HG3 LYS 19 HG3 LYS 19 3.056 18.440 -3.742 128 HD2 LYS 19 HD2 LYS 19 1.239 19.335 -2.394 129 HD3 LYS 19 HD3 LYS 19 0.650 18.091 -3.494 130 HE2 LYS 19 HE2 LYS 19 -0.392 17.771 -1.370 131 HE3 LYS 19 HE3 LYS 19 0.762 16.464 -1.626 132 HZ1 LYS 19 HZ1 LYS 19 1.168 18.862 0.076 133 HZ2 LYS 19 HZ2 LYS 19 0.936 17.271 0.611 134 HZ3 LYS 19 HZ3 LYS 19 2.349 17.684 -0.225 135 H GLY 20 H GLY 20 0.365 16.991 -6.115 136 HA2 GLY 20 HA2 GLY 20 2.394 17.555 -8.124 137 HA3 GLY 20 HA3 GLY 20 0.655 17.703 -8.325 138 HA PRO 21 HA PRO 21 1.632 22.048 -8.614 139 HB2 PRO 21 HB2 PRO 21 -1.315 22.160 -8.138 140 HB3 PRO 21 HB3 PRO 21 -0.341 22.986 -9.361 141 HG2 PRO 21 HG2 PRO 21 -1.799 20.873 -10.026 142 HG3 PRO 21 HG3 PRO 21 -0.168 21.082 -10.692 143 HD2 PRO 21 HD2 PRO 21 -1.117 19.249 -8.535 144 HD3 PRO 21 HD3 PRO 21 0.116 18.983 -9.785 145 H ASN 22 H ASN 22 -0.979 21.245 -6.333 146 HA ASN 22 HA ASN 22 0.569 22.245 -4.114 147 HB2 ASN 22 HB2 ASN 22 -1.276 23.840 -3.432 148 HB3 ASN 22 HB3 ASN 22 -0.310 24.348 -4.811 149 HD21 ASN 22 HD21 ASN 22 -1.886 25.694 -5.599 150 HD22 ASN 22 HD22 ASN 22 -3.338 25.105 -6.336 151 H GLY 23 H GLY 23 -0.694 19.759 -5.002 152 HA2 GLY 23 HA2 GLY 23 -1.752 18.723 -2.701 153 HA3 GLY 23 HA3 GLY 23 -3.130 19.395 -3.561 154 H TYR 24 H TYR 24 -4.176 17.594 -4.174 155 HA TYR 24 HA TYR 24 -2.654 15.643 -5.786 156 HB2 TYR 24 HB2 TYR 24 -4.933 14.970 -3.914 157 HB3 TYR 24 HB3 TYR 24 -3.901 13.838 -4.790 158 HD1 TYR 24 HD2 TYR 24 -1.340 14.041 -4.285 159 HD2 TYR 24 HD1 TYR 24 -4.404 15.494 -1.719 160 HE1 TYR 24 HE2 TYR 24 0.241 14.044 -2.409 161 HE2 TYR 24 HE1 TYR 24 -2.829 15.507 0.166 162 HH TYR 24 HH TYR 24 -0.761 14.460 0.846 163 H GLY 25 H GLY 25 -5.501 17.566 -5.378 164 HA2 GLY 25 HA2 GLY 25 -6.508 18.494 -7.299 165 HA3 GLY 25 HA3 GLY 25 -5.982 17.104 -8.227 166 H PHE 26 H PHE 26 -7.683 16.664 -5.178 167 HA PHE 26 HA PHE 26 -10.183 16.452 -6.682 168 HB2 PHE 26 HB2 PHE 26 -10.801 14.355 -5.506 169 HB3 PHE 26 HB3 PHE 26 -9.446 14.167 -6.610 170 HD1 PHE 26 HD2 PHE 26 -7.149 13.921 -5.700 171 HD2 PHE 26 HD1 PHE 26 -10.594 13.913 -3.199 172 HE1 PHE 26 HE2 PHE 26 -5.837 12.880 -3.898 173 HE2 PHE 26 HE1 PHE 26 -9.286 12.873 -1.397 174 HZ PHE 26 HZ PHE 26 -6.906 12.353 -1.747 175 H HIS 27 H HIS 27 -12.106 16.344 -5.290 176 HA HIS 27 HA HIS 27 -11.704 18.160 -3.012 177 HB2 HIS 27 HB2 HIS 27 -14.153 17.612 -4.704 178 HB3 HIS 27 HB3 HIS 27 -14.157 18.642 -3.279 179 HD1 HIS 27 HD1 HIS 27 -13.501 21.038 -3.600 180 HD2 HIS 27 HD2 HIS 27 -12.571 18.666 -6.888 181 HE1 HIS 27 HE1 HIS 27 -12.801 22.635 -5.412 182 HE2 HIS 27 HE2 HIS 27 -12.493 21.193 -7.457 183 H LEU 28 H LEU 28 -11.771 17.284 -1.092 184 HA LEU 28 HA LEU 28 -13.278 14.792 -0.678 185 HB2 LEU 28 HB2 LEU 28 -10.792 14.949 -0.158 186 HB3 LEU 28 HB3 LEU 28 -11.202 16.074 1.115 187 HG LEU 28 HG LEU 28 -10.733 13.706 1.838 188 HD11 LEU 28 HD11 LEU 28 -13.421 14.865 2.533 189 HD12 LEU 28 HD12 LEU 28 -12.579 13.615 3.450 190 HD13 LEU 28 HD13 LEU 28 -11.882 15.230 3.311 191 HD21 LEU 28 HD21 LEU 28 -13.393 13.201 0.522 192 HD22 LEU 28 HD22 LEU 28 -11.835 12.530 0.041 193 HD23 LEU 28 HD23 LEU 28 -12.548 12.079 1.588 194 H HIS 29 H HIS 29 -15.142 14.888 0.448 195 HA HIS 29 HA HIS 29 -15.534 17.210 2.216 196 HB2 HIS 29 HB2 HIS 29 -17.904 17.261 1.676 197 HB3 HIS 29 HB3 HIS 29 -16.950 17.444 0.213 198 HD1 HIS 29 HD1 HIS 29 -19.473 15.272 1.831 199 HD2 HIS 29 HD2 HIS 29 -17.088 15.236 -1.571 200 HE1 HIS 29 HE1 HIS 29 -20.416 13.462 0.369 201 HE2 HIS 29 HE2 HIS 29 -19.125 13.652 -1.787 202 H GLY 30 H GLY 30 -16.495 16.868 4.177 203 HA2 GLY 30 HA2 GLY 30 -16.914 14.029 4.892 204 HA3 GLY 30 HA3 GLY 30 -16.083 15.162 5.950 205 H GLU 31 H GLU 31 -18.774 13.544 5.858 206 HA GLU 31 HA GLU 31 -20.577 15.793 6.366 207 HB2 GLU 31 HB2 GLU 31 -21.146 12.884 5.805 208 HB3 GLU 31 HB3 GLU 31 -22.381 14.090 6.155 209 HG2 GLU 31 HG2 GLU 31 -21.674 15.370 4.193 210 HG3 GLU 31 HG3 GLU 31 -20.469 14.136 3.831 211 H LYS 32 H LYS 32 -22.018 15.759 8.120 212 HA LYS 32 HA LYS 32 -22.513 15.714 10.321 213 HB2 LYS 32 HB2 LYS 32 -21.495 12.875 10.229 214 HB3 LYS 32 HB3 LYS 32 -22.612 13.555 11.407 215 HG2 LYS 32 HG2 LYS 32 -24.072 14.062 9.305 216 HG3 LYS 32 HG3 LYS 32 -23.080 12.812 8.554 217 HD2 LYS 32 HD2 LYS 32 -24.992 11.707 9.397 218 HD3 LYS 32 HD3 LYS 32 -23.688 11.341 10.531 219 HE2 LYS 32 HE2 LYS 32 -24.481 13.052 12.048 220 HE3 LYS 32 HE3 LYS 32 -25.723 13.538 10.895 221 HZ1 LYS 32 HZ1 LYS 32 -26.655 11.257 11.117 222 HZ2 LYS 32 HZ2 LYS 32 -25.555 10.968 12.370 223 HZ3 LYS 32 HZ3 LYS 32 -26.727 12.178 12.542 224 H GLY 33 H GLY 33 -19.724 16.367 9.438 225 HA2 GLY 33 HA2 GLY 33 -18.065 17.417 10.677 226 HA3 GLY 33 HA3 GLY 33 -18.692 16.651 12.127 227 H LYS 34 H LYS 34 -18.581 13.958 11.300 228 HA LYS 34 HA LYS 34 -15.663 13.593 11.107 229 HB2 LYS 34 HB2 LYS 34 -17.534 12.041 12.893 230 HB3 LYS 34 HB3 LYS 34 -15.802 11.792 12.741 231 HG2 LYS 34 HG2 LYS 34 -15.436 14.062 13.631 232 HG3 LYS 34 HG3 LYS 34 -17.182 14.215 13.862 233 HD2 LYS 34 HD2 LYS 34 -15.377 12.163 15.141 234 HD3 LYS 34 HD3 LYS 34 -16.116 13.556 15.932 235 HE2 LYS 34 HE2 LYS 34 -18.307 12.659 15.639 236 HE3 LYS 34 HE3 LYS 34 -17.701 11.377 14.591 237 HZ1 LYS 34 HZ1 LYS 34 -17.151 11.691 17.493 238 HZ2 LYS 34 HZ2 LYS 34 -18.134 10.508 16.771 239 HZ3 LYS 34 HZ3 LYS 34 -16.462 10.500 16.498 240 H LEU 35 H LEU 35 -18.730 11.766 11.022 241 HA LEU 35 HA LEU 35 -17.371 9.618 9.674 242 HB2 LEU 35 HB2 LEU 35 -20.289 9.841 10.370 243 HB3 LEU 35 HB3 LEU 35 -19.426 8.385 9.919 244 HG LEU 35 HG LEU 35 -19.065 9.971 12.459 245 HD11 LEU 35 HD11 LEU 35 -19.902 7.937 13.532 246 HD12 LEU 35 HD12 LEU 35 -21.087 8.629 12.423 247 HD13 LEU 35 HD13 LEU 35 -20.152 7.211 11.944 248 HD21 LEU 35 HD21 LEU 35 -17.649 7.468 11.559 249 HD22 LEU 35 HD22 LEU 35 -16.929 9.074 11.676 250 HD23 LEU 35 HD23 LEU 35 -17.485 8.249 13.132 251 H GLY 36 H GLY 36 -17.062 9.669 7.598 252 HA2 GLY 36 HA2 GLY 36 -18.272 9.075 5.533 253 HA3 GLY 36 HA3 GLY 36 -19.340 10.426 5.880 254 H GLN 37 H GLN 37 -15.959 9.631 5.155 255 HA GLN 37 HA GLN 37 -15.652 12.273 3.913 256 HB2 GLN 37 HB2 GLN 37 -13.535 10.131 4.207 257 HB3 GLN 37 HB3 GLN 37 -13.291 11.834 3.844 258 HG2 GLN 37 HG2 GLN 37 -14.306 10.712 6.443 259 HG3 GLN 37 HG3 GLN 37 -12.672 11.288 6.135 260 HE21 GLN 37 HE21 GLN 37 -14.708 12.139 8.062 261 HE22 GLN 37 HE22 GLN 37 -14.931 13.827 7.794 262 H TYR 38 H TYR 38 -16.129 12.417 1.810 263 HA TYR 38 HA TYR 38 -15.693 10.050 0.113 264 HB2 TYR 38 HB2 TYR 38 -18.166 11.798 0.054 265 HB3 TYR 38 HB3 TYR 38 -17.829 10.453 -1.029 266 HD1 TYR 38 HD1 TYR 38 -17.341 8.159 0.223 267 HD2 TYR 38 HD2 TYR 38 -19.543 11.410 1.863 268 HE1 TYR 38 HE1 TYR 38 -18.441 6.616 1.790 269 HE2 TYR 38 HE2 TYR 38 -20.646 9.877 3.434 270 HH TYR 38 HH TYR 38 -19.553 6.848 4.128 271 H ILE 39 H ILE 39 -15.316 10.466 -2.077 272 HA ILE 39 HA ILE 39 -14.102 13.038 -2.605 273 HB ILE 39 HB ILE 39 -14.471 10.760 -4.551 274 HG12 ILE 39 HG12 ILE 39 -13.345 9.868 -2.586 275 HG13 ILE 39 HG13 ILE 39 -12.195 10.025 -3.907 276 HG21 ILE 39 HG21 ILE 39 -13.843 12.878 -5.553 277 HG22 ILE 39 HG22 ILE 39 -12.483 13.023 -4.439 278 HG23 ILE 39 HG23 ILE 39 -12.504 11.735 -5.644 279 HD11 ILE 39 HD11 ILE 39 -12.497 11.953 -1.623 280 HD12 ILE 39 HD12 ILE 39 -11.262 10.701 -1.753 281 HD13 ILE 39 HD13 ILE 39 -11.295 12.034 -2.909 282 H ARG 40 H ARG 40 -15.103 14.694 -3.558 283 HA ARG 40 HA ARG 40 -17.838 14.326 -4.484 284 HB2 ARG 40 HB2 ARG 40 -17.095 16.198 -2.947 285 HB3 ARG 40 HB3 ARG 40 -16.246 16.890 -4.318 286 HG2 ARG 40 HG2 ARG 40 -19.178 16.319 -4.465 287 HG3 ARG 40 HG3 ARG 40 -18.580 17.783 -3.690 288 HD2 ARG 40 HD2 ARG 40 -17.224 18.004 -5.944 289 HD3 ARG 40 HD3 ARG 40 -18.525 16.981 -6.555 290 HE ARG 40 HE ARG 40 -19.385 19.301 -5.057 291 HH11 ARG 40 HH11 ARG 40 -18.727 17.946 -8.226 292 HH12 ARG 40 HH12 ARG 40 -19.555 19.223 -9.069 293 HH21 ARG 40 HH21 ARG 40 -20.467 20.963 -6.170 294 HH22 ARG 40 HH22 ARG 40 -20.557 20.918 -7.905 295 H LEU 41 H LEU 41 -14.836 15.772 -5.740 296 HA LEU 41 HA LEU 41 -15.506 14.907 -8.422 297 HB2 LEU 41 HB2 LEU 41 -16.666 17.068 -8.205 298 HB3 LEU 41 HB3 LEU 41 -15.155 17.833 -7.752 299 HG LEU 41 HG LEU 41 -14.239 17.318 -9.987 300 HD11 LEU 41 HD11 LEU 41 -17.017 16.305 -10.570 301 HD12 LEU 41 HD12 LEU 41 -15.735 16.546 -11.758 302 HD13 LEU 41 HD13 LEU 41 -15.547 15.331 -10.493 303 HD21 LEU 41 HD21 LEU 41 -15.572 18.945 -11.222 304 HD22 LEU 41 HD22 LEU 41 -16.865 18.799 -10.030 305 HD23 LEU 41 HD23 LEU 41 -15.303 19.472 -9.560 306 H VAL 42 H VAL 42 -13.731 14.932 -9.824 307 HA VAL 42 HA VAL 42 -11.130 15.293 -8.491 308 HB VAL 42 HB VAL 42 -11.845 13.356 -10.707 309 HG11 VAL 42 HG11 VAL 42 -9.622 12.432 -10.381 310 HG12 VAL 42 HG12 VAL 42 -9.523 14.137 -10.822 311 HG13 VAL 42 HG13 VAL 42 -9.280 13.645 -9.146 312 HG21 VAL 42 HG21 VAL 42 -11.279 12.853 -7.789 313 HG22 VAL 42 HG22 VAL 42 -12.839 12.689 -8.596 314 HG23 VAL 42 HG23 VAL 42 -11.509 11.612 -9.019 315 H GLU 43 H GLU 43 -9.553 16.415 -9.547 316 HA GLU 43 HA GLU 43 -10.342 18.203 -11.636 317 HB2 GLU 43 HB2 GLU 43 -8.812 18.750 -9.733 318 HB3 GLU 43 HB3 GLU 43 -7.620 17.669 -10.430 319 HG2 GLU 43 HG2 GLU 43 -7.420 19.078 -12.372 320 HG3 GLU 43 HG3 GLU 43 -8.712 20.114 -11.767 321 HA PRO 44 HA PRO 44 -9.582 15.536 -15.030 322 HB2 PRO 44 HB2 PRO 44 -8.963 17.429 -16.933 323 HB3 PRO 44 HB3 PRO 44 -10.605 17.016 -16.422 324 HG2 PRO 44 HG2 PRO 44 -8.852 19.274 -15.529 325 HG3 PRO 44 HG3 PRO 44 -10.580 19.288 -15.925 326 HD2 PRO 44 HD2 PRO 44 -9.763 19.260 -13.387 327 HD3 PRO 44 HD3 PRO 44 -11.179 18.313 -13.898 328 H GLY 45 H GLY 45 -7.145 17.853 -14.090 329 HA2 GLY 45 HA2 GLY 45 -5.119 16.105 -15.344 330 HA3 GLY 45 HA3 GLY 45 -4.936 17.852 -15.243 331 H SER 46 H SER 46 -5.838 15.279 -12.955 332 HA SER 46 HA SER 46 -3.779 16.332 -11.135 333 HB2 SER 46 HB2 SER 46 -5.250 15.704 -9.271 334 HB3 SER 46 HB3 SER 46 -6.051 16.847 -10.348 335 HG SER 46 HG SER 46 -7.322 15.246 -11.136 336 HA PRO 47 HA PRO 47 -2.064 12.228 -10.805 337 HB2 PRO 47 HB2 PRO 47 -1.943 12.656 -7.880 338 HB3 PRO 47 HB3 PRO 47 -0.639 12.312 -9.019 339 HG2 PRO 47 HG2 PRO 47 -0.935 14.741 -7.945 340 HG3 PRO 47 HG3 PRO 47 -0.403 14.533 -9.625 341 HD2 PRO 47 HD2 PRO 47 -3.098 15.290 -8.566 342 HD3 PRO 47 HD3 PRO 47 -2.228 15.907 -9.988 343 H ALA 48 H ALA 48 -4.867 13.226 -9.043 344 HA ALA 48 HA ALA 48 -5.605 10.803 -7.825 345 HB1 ALA 48 HB1 ALA 48 -6.693 12.928 -7.308 346 HB2 ALA 48 HB2 ALA 48 -7.383 12.974 -8.932 347 HB3 ALA 48 HB3 ALA 48 -7.875 11.713 -7.802 348 H GLU 49 H GLU 49 -6.364 12.133 -11.028 349 HA GLU 49 HA GLU 49 -7.849 10.019 -12.071 350 HB2 GLU 49 HB2 GLU 49 -5.847 11.800 -13.479 351 HB3 GLU 49 HB3 GLU 49 -7.056 10.806 -14.282 352 HG2 GLU 49 HG2 GLU 49 -7.776 12.923 -12.294 353 HG3 GLU 49 HG3 GLU 49 -7.581 13.261 -14.013 354 H LYS 50 H LYS 50 -4.386 10.554 -11.982 355 HA LYS 50 HA LYS 50 -3.572 8.290 -13.445 356 HB2 LYS 50 HB2 LYS 50 -2.100 9.814 -11.290 357 HB3 LYS 50 HB3 LYS 50 -1.364 8.673 -12.405 358 HG2 LYS 50 HG2 LYS 50 -1.914 10.113 -14.281 359 HG3 LYS 50 HG3 LYS 50 -2.725 11.242 -13.192 360 HD2 LYS 50 HD2 LYS 50 -0.459 11.997 -13.766 361 HD3 LYS 50 HD3 LYS 50 -0.622 11.667 -12.039 362 HE2 LYS 50 HE2 LYS 50 0.372 9.428 -12.433 363 HE3 LYS 50 HE3 LYS 50 0.637 9.882 -14.114 364 HZ1 LYS 50 HZ1 LYS 50 2.627 10.208 -12.796 365 HZ2 LYS 50 HZ2 LYS 50 2.045 11.699 -13.363 366 HZ3 LYS 50 HZ3 LYS 50 1.799 11.251 -11.745 367 H ALA 51 H ALA 51 -4.018 8.819 -9.971 368 HA ALA 51 HA ALA 51 -2.987 6.305 -9.167 369 HB1 ALA 51 HB1 ALA 51 -3.816 6.843 -6.976 370 HB2 ALA 51 HB2 ALA 51 -3.126 8.297 -7.697 371 HB3 ALA 51 HB3 ALA 51 -4.877 8.088 -7.637 372 H GLY 52 H GLY 52 -6.149 7.398 -10.143 373 HA2 GLY 52 HA2 GLY 52 -7.689 5.793 -11.079 374 HA3 GLY 52 HA3 GLY 52 -7.086 4.610 -9.928 375 H LEU 53 H LEU 53 -7.482 7.642 -8.551 376 HA LEU 53 HA LEU 53 -9.708 6.799 -6.962 377 HB2 LEU 53 HB2 LEU 53 -7.835 8.136 -6.074 378 HB3 LEU 53 HB3 LEU 53 -8.269 9.452 -7.141 379 HG LEU 53 HG LEU 53 -10.345 8.507 -5.230 380 HD11 LEU 53 HD11 LEU 53 -9.410 9.883 -3.445 381 HD12 LEU 53 HD12 LEU 53 -8.313 8.567 -3.865 382 HD13 LEU 53 HD13 LEU 53 -7.982 10.205 -4.429 383 HD21 LEU 53 HD21 LEU 53 -10.858 10.896 -5.176 384 HD22 LEU 53 HD22 LEU 53 -9.456 11.228 -6.193 385 HD23 LEU 53 HD23 LEU 53 -10.811 10.298 -6.834 386 H LEU 54 H LEU 54 -11.813 7.200 -7.324 387 HA LEU 54 HA LEU 54 -12.452 8.842 -9.680 388 HB2 LEU 54 HB2 LEU 54 -14.005 6.602 -8.387 389 HB3 LEU 54 HB3 LEU 54 -14.550 7.529 -9.772 390 HG LEU 54 HG LEU 54 -12.135 5.718 -9.695 391 HD11 LEU 54 HD11 LEU 54 -14.272 4.527 -9.691 392 HD12 LEU 54 HD12 LEU 54 -14.784 5.442 -11.109 393 HD13 LEU 54 HD13 LEU 54 -13.420 4.328 -11.222 394 HD21 LEU 54 HD21 LEU 54 -11.976 6.163 -12.087 395 HD22 LEU 54 HD22 LEU 54 -13.316 7.304 -11.973 396 HD23 LEU 54 HD23 LEU 54 -11.793 7.649 -11.155 397 H ALA 55 H ALA 55 -14.394 10.087 -9.669 398 HA ALA 55 HA ALA 55 -14.823 11.520 -7.235 399 HB1 ALA 55 HB1 ALA 55 -16.415 12.835 -8.513 400 HB2 ALA 55 HB2 ALA 55 -14.934 12.601 -9.440 401 HB3 ALA 55 HB3 ALA 55 -16.372 11.654 -9.822 402 H GLY 56 H GLY 56 -15.636 10.164 -5.717 403 HA2 GLY 56 HA2 GLY 56 -18.092 9.814 -4.975 404 HA3 GLY 56 HA3 GLY 56 -18.083 8.663 -6.307 405 H ASP 57 H ASP 57 -15.045 8.537 -5.280 406 HA ASP 57 HA ASP 57 -15.274 6.029 -4.042 407 HB2 ASP 57 HB2 ASP 57 -13.101 7.915 -4.666 408 HB3 ASP 57 HB3 ASP 57 -12.793 6.872 -3.283 409 H ARG 58 H ARG 58 -14.968 5.360 -1.965 410 HA ARG 58 HA ARG 58 -15.410 7.357 0.133 411 HB2 ARG 58 HB2 ARG 58 -16.955 5.523 0.253 412 HB3 ARG 58 HB3 ARG 58 -15.665 4.345 0.067 413 HG2 ARG 58 HG2 ARG 58 -14.787 4.968 2.270 414 HG3 ARG 58 HG3 ARG 58 -16.105 6.127 2.461 415 HD2 ARG 58 HD2 ARG 58 -17.734 4.367 2.424 416 HD3 ARG 58 HD3 ARG 58 -16.505 3.174 2.008 417 HE ARG 58 HE ARG 58 -15.566 4.059 4.333 418 HH11 ARG 58 HH11 ARG 58 -18.812 3.118 3.420 419 HH12 ARG 58 HH12 ARG 58 -19.234 2.574 5.014 420 HH21 ARG 58 HH21 ARG 58 -16.110 3.339 6.422 421 HH22 ARG 58 HH22 ARG 58 -17.723 2.739 6.729 422 H LEU 59 H LEU 59 -13.703 8.077 1.216 423 HA LEU 59 HA LEU 59 -11.156 6.723 1.075 424 HB2 LEU 59 HB2 LEU 59 -11.270 9.171 1.018 425 HB3 LEU 59 HB3 LEU 59 -12.011 9.182 2.608 426 HG LEU 59 HG LEU 59 -9.941 8.222 3.557 427 HD11 LEU 59 HD11 LEU 59 -7.904 8.182 2.204 428 HD12 LEU 59 HD12 LEU 59 -9.115 7.061 1.583 429 HD13 LEU 59 HD13 LEU 59 -8.844 8.604 0.772 430 HD21 LEU 59 HD21 LEU 59 -10.270 10.611 3.602 431 HD22 LEU 59 HD22 LEU 59 -8.570 10.245 3.311 432 HD23 LEU 59 HD23 LEU 59 -9.601 10.762 1.978 433 H VAL 60 H VAL 60 -10.613 5.122 2.398 434 HA VAL 60 HA VAL 60 -12.170 4.799 4.867 435 HB VAL 60 HB VAL 60 -10.370 2.786 3.513 436 HG11 VAL 60 HG11 VAL 60 -11.523 1.155 4.909 437 HG12 VAL 60 HG12 VAL 60 -10.729 2.382 5.895 438 HG13 VAL 60 HG13 VAL 60 -12.473 2.443 5.648 439 HG21 VAL 60 HG21 VAL 60 -12.226 3.392 2.050 440 HG22 VAL 60 HG22 VAL 60 -12.416 1.752 2.667 441 HG23 VAL 60 HG23 VAL 60 -13.370 3.069 3.353 442 H GLU 61 H GLU 61 -8.804 4.427 3.731 443 HA GLU 61 HA GLU 61 -7.897 5.229 6.399 444 HB2 GLU 61 HB2 GLU 61 -6.782 2.855 4.890 445 HB3 GLU 61 HB3 GLU 61 -6.270 3.424 6.474 446 HG2 GLU 61 HG2 GLU 61 -8.585 2.958 7.295 447 HG3 GLU 61 HG3 GLU 61 -8.917 2.208 5.739 448 H VAL 62 H VAL 62 -5.811 6.108 6.498 449 HA VAL 62 HA VAL 62 -4.710 6.960 3.896 450 HB VAL 62 HB VAL 62 -4.678 8.422 6.549 451 HG11 VAL 62 HG11 VAL 62 -3.329 9.176 3.954 452 HG12 VAL 62 HG12 VAL 62 -3.468 10.217 5.372 453 HG13 VAL 62 HG13 VAL 62 -2.527 8.728 5.460 454 HG21 VAL 62 HG21 VAL 62 -5.909 9.126 3.887 455 HG22 VAL 62 HG22 VAL 62 -6.775 8.618 5.336 456 HG23 VAL 62 HG23 VAL 62 -5.908 10.152 5.322 457 H ASN 63 H ASN 63 -2.969 5.897 3.430 458 HA ASN 63 HA ASN 63 -0.955 4.916 3.484 459 HB2 ASN 63 HB2 ASN 63 -0.704 6.620 5.939 460 HB3 ASN 63 HB3 ASN 63 0.572 5.490 5.499 461 HD21 ASN 63 HD21 ASN 63 2.063 7.100 5.050 462 HD22 ASN 63 HD22 ASN 63 1.939 8.144 3.678 463 H GLY 64 H GLY 64 -1.846 4.789 6.966 464 HA2 GLY 64 HA2 GLY 64 -1.875 1.867 6.681 465 HA3 GLY 64 HA3 GLY 64 -0.745 2.574 7.818 466 H GLU 65 H GLU 65 -3.223 4.625 8.123 467 HA GLU 65 HA GLU 65 -4.635 2.899 10.046 468 HB2 GLU 65 HB2 GLU 65 -4.716 4.761 11.624 469 HB3 GLU 65 HB3 GLU 65 -3.058 4.333 11.230 470 HG2 GLU 65 HG2 GLU 65 -3.214 6.219 9.492 471 HG3 GLU 65 HG3 GLU 65 -4.621 6.742 10.420 472 H ASN 66 H ASN 66 -6.816 3.407 10.470 473 HA ASN 66 HA ASN 66 -8.177 4.365 8.130 474 HB2 ASN 66 HB2 ASN 66 -10.047 3.300 8.942 475 HB3 ASN 66 HB3 ASN 66 -8.798 2.405 9.795 476 HD21 ASN 66 HD21 ASN 66 -11.566 4.332 10.077 477 HD22 ASN 66 HD22 ASN 66 -11.572 4.497 11.799 478 H VAL 67 H VAL 67 -9.455 6.146 7.901 479 HA VAL 67 HA VAL 67 -9.176 8.184 10.019 480 HB VAL 67 HB VAL 67 -9.058 9.885 8.230 481 HG11 VAL 67 HG11 VAL 67 -6.758 9.375 7.503 482 HG12 VAL 67 HG12 VAL 67 -7.002 9.055 9.219 483 HG13 VAL 67 HG13 VAL 67 -6.964 7.717 8.071 484 HG21 VAL 67 HG21 VAL 67 -8.946 7.490 6.388 485 HG22 VAL 67 HG22 VAL 67 -10.208 8.721 6.440 486 HG23 VAL 67 HG23 VAL 67 -8.583 9.149 5.909 487 H GLU 68 H GLU 68 -11.381 6.310 9.458 488 HA GLU 68 HA GLU 68 -13.479 7.818 8.189 489 HB2 GLU 68 HB2 GLU 68 -13.646 5.269 9.801 490 HB3 GLU 68 HB3 GLU 68 -14.912 5.928 8.778 491 HG2 GLU 68 HG2 GLU 68 -13.581 5.558 6.810 492 HG3 GLU 68 HG3 GLU 68 -12.218 5.024 7.797 493 H LYS 69 H LYS 69 -12.258 7.517 11.402 494 HA LYS 69 HA LYS 69 -14.796 8.489 12.516 495 HB2 LYS 69 HB2 LYS 69 -12.380 7.380 13.958 496 HB3 LYS 69 HB3 LYS 69 -13.902 7.849 14.702 497 HG2 LYS 69 HG2 LYS 69 -13.525 5.611 12.719 498 HG3 LYS 69 HG3 LYS 69 -13.746 5.434 14.460 499 HD2 LYS 69 HD2 LYS 69 -15.960 6.512 14.258 500 HD3 LYS 69 HD3 LYS 69 -15.736 6.601 12.510 501 HE2 LYS 69 HE2 LYS 69 -15.847 4.076 14.164 502 HE3 LYS 69 HE3 LYS 69 -17.137 4.697 13.138 503 HZ1 LYS 69 HZ1 LYS 69 -15.465 4.509 11.264 504 HZ2 LYS 69 HZ2 LYS 69 -14.522 3.581 12.324 505 HZ3 LYS 69 HZ3 LYS 69 -16.071 3.055 11.884 506 H GLU 70 H GLU 70 -11.940 9.680 11.389 507 HA GLU 70 HA GLU 70 -11.453 11.720 13.354 508 HB2 GLU 70 HB2 GLU 70 -10.527 11.555 10.478 509 HB3 GLU 70 HB3 GLU 70 -9.863 12.603 11.723 510 HG2 GLU 70 HG2 GLU 70 -9.765 9.595 11.711 511 HG3 GLU 70 HG3 GLU 70 -8.438 10.679 11.301 512 H THR 71 H THR 71 -11.741 14.037 12.912 513 HA THR 71 HA THR 71 -14.270 14.608 11.718 514 HB THR 71 HB THR 71 -13.922 16.903 12.286 515 HG1 THR 71 HG1 THR 71 -11.707 17.428 13.197 516 HG21 THR 71 HG21 THR 71 -12.574 15.237 14.411 517 HG22 THR 71 HG22 THR 71 -13.362 16.797 14.648 518 HG23 THR 71 HG23 THR 71 -14.319 15.387 14.192 519 H HIS 72 H HIS 72 -14.499 16.281 9.968 520 HA HIS 72 HA HIS 72 -13.281 15.352 7.652 521 HB2 HIS 72 HB2 HIS 72 -15.349 16.548 7.484 522 HB3 HIS 72 HB3 HIS 72 -14.640 17.992 8.199 523 HD1 HIS 72 HD1 HIS 72 -13.851 15.827 5.157 524 HD2 HIS 72 HD2 HIS 72 -14.110 19.821 6.296 525 HE1 HIS 72 HE1 HIS 72 -13.265 17.162 3.105 526 HE2 HIS 72 HE2 HIS 72 -13.359 19.571 3.829 527 H GLN 73 H GLN 73 -12.475 18.220 9.591 528 HA GLN 73 HA GLN 73 -10.413 19.113 7.873 529 HB2 GLN 73 HB2 GLN 73 -11.607 20.463 9.658 530 HB3 GLN 73 HB3 GLN 73 -10.582 19.650 10.834 531 HG2 GLN 73 HG2 GLN 73 -9.667 21.810 10.285 532 HG3 GLN 73 HG3 GLN 73 -8.597 20.535 9.702 533 HE21 GLN 73 HE21 GLN 73 -10.775 23.082 8.808 534 HE22 GLN 73 HE22 GLN 73 -10.385 23.107 7.121 535 H GLN 74 H GLN 74 -10.451 16.938 10.653 536 HA GLN 74 HA GLN 74 -7.677 16.692 10.999 537 HB2 GLN 74 HB2 GLN 74 -9.913 14.743 11.548 538 HB3 GLN 74 HB3 GLN 74 -8.239 14.431 11.984 539 HG2 GLN 74 HG2 GLN 74 -9.904 16.734 12.968 540 HG3 GLN 74 HG3 GLN 74 -9.551 15.261 13.867 541 HE21 GLN 74 HE21 GLN 74 -8.945 18.062 14.455 542 HE22 GLN 74 HE22 GLN 74 -7.229 18.129 14.692 543 H VAL 75 H VAL 75 -9.944 14.858 8.993 544 HA VAL 75 HA VAL 75 -8.122 12.997 7.953 545 HB VAL 75 HB VAL 75 -10.578 14.143 6.616 546 HG11 VAL 75 HG11 VAL 75 -10.590 12.080 5.305 547 HG12 VAL 75 HG12 VAL 75 -9.114 13.005 5.029 548 HG13 VAL 75 HG13 VAL 75 -9.080 11.582 6.072 549 HG21 VAL 75 HG21 VAL 75 -11.735 12.190 7.507 550 HG22 VAL 75 HG22 VAL 75 -10.254 11.668 8.310 551 HG23 VAL 75 HG23 VAL 75 -11.049 13.162 8.809 552 H VAL 76 H VAL 76 -9.208 16.108 6.610 553 HA VAL 76 HA VAL 76 -7.610 16.062 4.303 554 HB VAL 76 HB VAL 76 -8.552 18.501 5.834 555 HG11 VAL 76 HG11 VAL 76 -6.788 18.949 4.151 556 HG12 VAL 76 HG12 VAL 76 -7.828 18.228 2.920 557 HG13 VAL 76 HG13 VAL 76 -8.337 19.697 3.751 558 HG21 VAL 76 HG21 VAL 76 -10.445 18.483 4.256 559 HG22 VAL 76 HG22 VAL 76 -9.877 16.939 3.620 560 HG23 VAL 76 HG23 VAL 76 -10.420 17.058 5.294 561 H SER 77 H SER 77 -6.975 17.226 7.572 562 HA SER 77 HA SER 77 -4.489 18.436 7.079 563 HB2 SER 77 HB2 SER 77 -5.889 18.689 9.158 564 HB3 SER 77 HB3 SER 77 -5.358 17.082 9.644 565 HG SER 77 HG SER 77 -4.068 19.460 9.833 566 H ARG 78 H ARG 78 -5.368 15.099 7.856 567 HA ARG 78 HA ARG 78 -2.729 14.129 8.175 568 HB2 ARG 78 HB2 ARG 78 -5.254 12.690 7.352 569 HB3 ARG 78 HB3 ARG 78 -3.743 11.890 7.755 570 HG2 ARG 78 HG2 ARG 78 -3.886 12.924 10.021 571 HG3 ARG 78 HG3 ARG 78 -5.493 13.513 9.587 572 HD2 ARG 78 HD2 ARG 78 -6.243 11.233 9.196 573 HD3 ARG 78 HD3 ARG 78 -4.634 10.625 9.566 574 HE ARG 78 HE ARG 78 -6.328 11.994 11.561 575 HH11 ARG 78 HH11 ARG 78 -4.006 9.555 10.653 576 HH12 ARG 78 HH12 ARG 78 -4.059 8.730 12.183 577 HH21 ARG 78 HH21 ARG 78 -6.412 10.924 13.597 578 HH22 ARG 78 HH22 ARG 78 -5.400 9.534 13.865 579 H ILE 79 H ILE 79 -4.866 14.390 5.374 580 HA ILE 79 HA ILE 79 -3.178 12.913 3.622 581 HB ILE 79 HB ILE 79 -5.298 14.930 2.855 582 HG12 ILE 79 HG12 ILE 79 -5.573 11.947 3.304 583 HG13 ILE 79 HG13 ILE 79 -6.137 13.182 4.423 584 HG21 ILE 79 HG21 ILE 79 -5.440 13.620 0.793 585 HG22 ILE 79 HG22 ILE 79 -3.818 14.266 1.024 586 HG23 ILE 79 HG23 ILE 79 -4.146 12.568 1.367 587 HD11 ILE 79 HD11 ILE 79 -7.701 13.998 2.756 588 HD12 ILE 79 HD12 ILE 79 -7.109 12.802 1.603 589 HD13 ILE 79 HD13 ILE 79 -7.946 12.280 3.066 590 H ARG 80 H ARG 80 -3.534 16.327 4.405 591 HA ARG 80 HA ARG 80 -1.725 17.271 2.418 592 HB2 ARG 80 HB2 ARG 80 -2.668 18.497 5.007 593 HB3 ARG 80 HB3 ARG 80 -1.610 19.323 3.876 594 HG2 ARG 80 HG2 ARG 80 -3.396 19.044 2.142 595 HG3 ARG 80 HG3 ARG 80 -4.452 18.456 3.431 596 HD2 ARG 80 HD2 ARG 80 -4.765 20.860 2.996 597 HD3 ARG 80 HD3 ARG 80 -4.197 20.543 4.636 598 HE ARG 80 HE ARG 80 -2.240 21.230 2.569 599 HH11 ARG 80 HH11 ARG 80 -4.014 22.201 5.435 600 HH12 ARG 80 HH12 ARG 80 -2.874 23.441 5.868 601 HH21 ARG 80 HH21 ARG 80 -0.765 22.849 3.122 602 HH22 ARG 80 HH22 ARG 80 -1.032 23.830 4.532 603 H ALA 81 H ALA 81 -1.350 15.838 5.523 604 HA ALA 81 HA ALA 81 1.120 16.905 6.316 605 HB1 ALA 81 HB1 ALA 81 -0.073 14.213 6.966 606 HB2 ALA 81 HB2 ALA 81 1.241 15.005 7.840 607 HB3 ALA 81 HB3 ALA 81 -0.372 15.719 7.836 608 H ALA 82 H ALA 82 0.333 14.493 3.975 609 HA ALA 82 HA ALA 82 2.944 13.280 3.973 610 HB1 ALA 82 HB1 ALA 82 2.126 12.003 2.069 611 HB2 ALA 82 HB2 ALA 82 0.972 11.965 3.404 612 HB3 ALA 82 HB3 ALA 82 0.679 13.007 2.010 613 H LEU 83 H LEU 83 4.650 13.877 2.836 614 HA LEU 83 HA LEU 83 4.307 15.921 0.769 615 HB2 LEU 83 HB2 LEU 83 6.734 15.029 2.321 616 HB3 LEU 83 HB3 LEU 83 6.825 16.102 0.938 617 HG LEU 83 HG LEU 83 5.195 17.608 2.250 618 HD11 LEU 83 HD11 LEU 83 5.358 17.424 4.682 619 HD12 LEU 83 HD12 LEU 83 4.564 16.021 3.970 620 HD13 LEU 83 HD13 LEU 83 6.240 15.907 4.505 621 HD21 LEU 83 HD21 LEU 83 7.052 18.669 3.433 622 HD22 LEU 83 HD22 LEU 83 8.031 17.223 3.189 623 HD23 LEU 83 HD23 LEU 83 7.509 18.179 1.802 624 H ASN 84 H ASN 84 4.791 15.552 -1.282 625 HA ASN 84 HA ASN 84 5.544 14.611 -3.199 626 HB2 ASN 84 HB2 ASN 84 7.643 14.091 -1.976 627 HB3 ASN 84 HB3 ASN 84 6.946 12.551 -1.492 628 HD21 ASN 84 HD21 ASN 84 6.464 14.044 -4.638 629 HD22 ASN 84 HD22 ASN 84 7.344 12.847 -5.533 630 H ALA 85 H ALA 85 4.780 11.963 -0.905 631 HA ALA 85 HA ALA 85 2.722 11.073 -2.775 632 HB1 ALA 85 HB1 ALA 85 4.904 9.245 -1.793 633 HB2 ALA 85 HB2 ALA 85 3.513 8.773 -2.768 634 HB3 ALA 85 HB3 ALA 85 4.730 9.860 -3.438 635 H VAL 86 H VAL 86 1.021 10.087 -1.868 636 HA VAL 86 HA VAL 86 1.144 9.220 0.937 637 HB VAL 86 HB VAL 86 0.218 11.517 0.944 638 HG11 VAL 86 HG11 VAL 86 -1.942 10.396 -0.830 639 HG12 VAL 86 HG12 VAL 86 -1.937 12.000 -0.098 640 HG13 VAL 86 HG13 VAL 86 -0.716 11.574 -1.298 641 HG21 VAL 86 HG21 VAL 86 -0.566 9.972 2.636 642 HG22 VAL 86 HG22 VAL 86 -1.879 11.041 2.140 643 HG23 VAL 86 HG23 VAL 86 -1.822 9.381 1.548 644 H ARG 87 H ARG 87 -0.196 7.453 1.374 645 HA ARG 87 HA ARG 87 -1.350 6.180 -1.010 646 HB2 ARG 87 HB2 ARG 87 -0.681 5.039 1.713 647 HB3 ARG 87 HB3 ARG 87 -1.339 4.122 0.362 648 HG2 ARG 87 HG2 ARG 87 0.628 4.198 -0.828 649 HG3 ARG 87 HG3 ARG 87 1.199 5.644 0.005 650 HD2 ARG 87 HD2 ARG 87 2.479 3.693 0.685 651 HD3 ARG 87 HD3 ARG 87 1.555 4.339 2.037 652 HE ARG 87 HE ARG 87 0.009 2.475 1.742 653 HH11 ARG 87 HH11 ARG 87 3.060 2.250 0.045 654 HH12 ARG 87 HH12 ARG 87 3.101 0.514 0.089 655 HH21 ARG 87 HH21 ARG 87 0.055 0.192 1.814 656 HH22 ARG 87 HH22 ARG 87 1.405 -0.669 1.113 657 H LEU 88 H LEU 88 -3.424 6.684 -1.277 658 HA LEU 88 HA LEU 88 -5.116 6.875 1.119 659 HB2 LEU 88 HB2 LEU 88 -5.566 7.963 -1.663 660 HB3 LEU 88 HB3 LEU 88 -6.703 8.098 -0.334 661 HG LEU 88 HG LEU 88 -3.951 9.342 -0.439 662 HD11 LEU 88 HD11 LEU 88 -6.697 10.583 -0.530 663 HD12 LEU 88 HD12 LEU 88 -5.161 11.452 -0.524 664 HD13 LEU 88 HD13 LEU 88 -5.591 10.428 -1.894 665 HD21 LEU 88 HD21 LEU 88 -4.582 8.650 1.830 666 HD22 LEU 88 HD22 LEU 88 -4.550 10.405 1.662 667 HD23 LEU 88 HD23 LEU 88 -6.092 9.550 1.676 668 H LEU 89 H LEU 89 -6.316 5.180 1.531 669 HA LEU 89 HA LEU 89 -6.827 3.232 -0.556 670 HB2 LEU 89 HB2 LEU 89 -6.145 2.418 1.635 671 HB3 LEU 89 HB3 LEU 89 -7.517 3.220 2.380 672 HG LEU 89 HG LEU 89 -9.022 1.765 1.006 673 HD11 LEU 89 HD11 LEU 89 -6.446 0.322 0.400 674 HD12 LEU 89 HD12 LEU 89 -8.066 -0.292 0.066 675 HD13 LEU 89 HD13 LEU 89 -7.483 1.154 -0.759 676 HD21 LEU 89 HD21 LEU 89 -7.137 0.365 2.878 677 HD22 LEU 89 HD22 LEU 89 -8.552 1.309 3.342 678 HD23 LEU 89 HD23 LEU 89 -8.748 -0.181 2.419 679 H VAL 90 H VAL 90 -8.629 3.134 -1.673 680 HA VAL 90 HA VAL 90 -11.026 4.444 -0.624 681 HB VAL 90 HB VAL 90 -11.509 5.362 -2.912 682 HG11 VAL 90 HG11 VAL 90 -9.050 6.435 -1.537 683 HG12 VAL 90 HG12 VAL 90 -10.067 7.325 -2.669 684 HG13 VAL 90 HG13 VAL 90 -10.722 6.804 -1.116 685 HG21 VAL 90 HG21 VAL 90 -8.596 4.735 -3.400 686 HG22 VAL 90 HG22 VAL 90 -9.972 3.984 -4.207 687 HG23 VAL 90 HG23 VAL 90 -9.629 5.696 -4.458 688 H VAL 91 H VAL 91 -12.957 3.687 -1.461 689 HA VAL 91 HA VAL 91 -12.951 1.402 -3.246 690 HB VAL 91 HB VAL 91 -12.554 0.395 -1.030 691 HG11 VAL 91 HG11 VAL 91 -15.139 1.723 -0.236 692 HG12 VAL 91 HG12 VAL 91 -14.256 0.537 0.727 693 HG13 VAL 91 HG13 VAL 91 -13.529 2.105 0.377 694 HG21 VAL 91 HG21 VAL 91 -14.444 -1.172 -0.996 695 HG22 VAL 91 HG22 VAL 91 -15.335 -0.103 -2.080 696 HG23 VAL 91 HG23 VAL 91 -13.851 -0.881 -2.631 697 H ASP 92 H ASP 92 -15.040 1.039 -4.171 698 HA ASP 92 HA ASP 92 -16.855 3.217 -4.217 699 HB2 ASP 92 HB2 ASP 92 -17.430 0.312 -4.888 700 HB3 ASP 92 HB3 ASP 92 -18.410 1.694 -5.358 701 HA PRO 93 HA PRO 93 -18.715 2.644 -0.218 702 HB2 PRO 93 HB2 PRO 93 -21.035 3.991 -1.492 703 HB3 PRO 93 HB3 PRO 93 -20.151 4.417 -0.024 704 HG2 PRO 93 HG2 PRO 93 -19.829 5.824 -2.266 705 HG3 PRO 93 HG3 PRO 93 -18.459 5.489 -1.190 706 HD2 PRO 93 HD2 PRO 93 -19.180 4.216 -3.796 707 HD3 PRO 93 HD3 PRO 93 -17.581 4.629 -3.145 708 H GLU 94 H GLU 94 -20.428 1.889 -3.198 709 HA GLU 94 HA GLU 94 -22.345 0.158 -1.998 710 HB2 GLU 94 HB2 GLU 94 -22.691 -0.644 -4.342 711 HB3 GLU 94 HB3 GLU 94 -22.828 1.099 -4.154 712 HG2 GLU 94 HG2 GLU 94 -20.636 1.423 -5.081 713 HG3 GLU 94 HG3 GLU 94 -20.362 -0.317 -5.139 714 H THR 95 H THR 95 -19.178 -0.307 -3.494 715 HA THR 95 HA THR 95 -19.227 -3.146 -3.363 716 HB THR 95 HB THR 95 -16.821 -1.335 -3.625 717 HG1 THR 95 HG1 THR 95 -17.216 -1.423 -5.826 718 HG21 THR 95 HG21 THR 95 -15.797 -3.243 -4.754 719 HG22 THR 95 HG22 THR 95 -16.283 -3.684 -3.116 720 HG23 THR 95 HG23 THR 95 -17.258 -4.195 -4.494 721 H ASP 96 H ASP 96 -17.904 -0.595 -1.300 722 HA ASP 96 HA ASP 96 -16.566 -2.195 0.570 723 HB2 ASP 96 HB2 ASP 96 -16.262 0.177 0.637 724 HB3 ASP 96 HB3 ASP 96 -17.987 0.458 0.836 725 H GLU 97 H GLU 97 -19.915 -1.166 0.366 726 HA GLU 97 HA GLU 97 -20.932 -2.357 2.682 727 HB2 GLU 97 HB2 GLU 97 -22.208 -0.760 1.387 728 HB3 GLU 97 HB3 GLU 97 -22.195 -1.823 -0.011 729 HG2 GLU 97 HG2 GLU 97 -23.546 -3.448 1.263 730 HG3 GLU 97 HG3 GLU 97 -23.621 -2.290 2.594 731 H GLN 98 H GLN 98 -20.406 -3.617 -0.566 732 HA GLN 98 HA GLN 98 -21.529 -6.180 -0.135 733 HB2 GLN 98 HB2 GLN 98 -21.116 -5.241 -2.380 734 HB3 GLN 98 HB3 GLN 98 -19.385 -5.322 -2.091 735 HG2 GLN 98 HG2 GLN 98 -20.037 -7.165 -3.472 736 HG3 GLN 98 HG3 GLN 98 -19.579 -7.781 -1.880 737 HE21 GLN 98 HE21 GLN 98 -21.177 -8.579 -0.509 738 HE22 GLN 98 HE22 GLN 98 -22.758 -8.996 -1.076 739 H LEU 99 H LEU 99 -18.263 -4.866 0.164 740 HA LEU 99 HA LEU 99 -16.874 -7.265 0.609 741 HB2 LEU 99 HB2 LEU 99 -16.240 -4.530 1.716 742 HB3 LEU 99 HB3 LEU 99 -15.130 -5.882 1.625 743 HG LEU 99 HG LEU 99 -16.065 -4.047 -0.518 744 HD11 LEU 99 HD11 LEU 99 -13.893 -3.746 0.475 745 HD12 LEU 99 HD12 LEU 99 -13.478 -5.426 0.133 746 HD13 LEU 99 HD13 LEU 99 -13.714 -4.288 -1.195 747 HD21 LEU 99 HD21 LEU 99 -15.274 -6.913 -1.017 748 HD22 LEU 99 HD22 LEU 99 -16.837 -6.174 -1.368 749 HD23 LEU 99 HD23 LEU 99 -15.402 -5.658 -2.252 750 H GLN 100 H GLN 100 -18.703 -5.206 2.796 751 HA GLN 100 HA GLN 100 -17.876 -6.262 5.239 752 HB2 GLN 100 HB2 GLN 100 -20.644 -5.319 4.465 753 HB3 GLN 100 HB3 GLN 100 -20.063 -5.535 6.112 754 HG2 GLN 100 HG2 GLN 100 -18.911 -3.602 4.110 755 HG3 GLN 100 HG3 GLN 100 -20.059 -3.186 5.380 756 HE21 GLN 100 HE21 GLN 100 -18.884 -4.924 7.367 757 HE22 GLN 100 HE22 GLN 100 -17.386 -4.193 7.844 758 H LYS 101 H LYS 101 -20.180 -7.485 2.884 759 HA LYS 101 HA LYS 101 -21.161 -9.640 4.457 760 HB2 LYS 101 HB2 LYS 101 -21.162 -9.076 1.497 761 HB3 LYS 101 HB3 LYS 101 -21.847 -10.551 2.166 762 HG2 LYS 101 HG2 LYS 101 -22.710 -7.774 2.945 763 HG3 LYS 101 HG3 LYS 101 -23.515 -8.770 1.729 764 HD2 LYS 101 HD2 LYS 101 -23.949 -10.485 3.421 765 HD3 LYS 101 HD3 LYS 101 -23.133 -9.499 4.633 766 HE2 LYS 101 HE2 LYS 101 -24.808 -7.778 4.426 767 HE3 LYS 101 HE3 LYS 101 -25.583 -8.646 3.101 768 HZ1 LYS 101 HZ1 LYS 101 -25.347 -9.626 5.897 769 HZ2 LYS 101 HZ2 LYS 101 -26.748 -8.983 5.194 770 HZ3 LYS 101 HZ3 LYS 101 -26.107 -10.444 4.621 771 H LEU 102 H LEU 102 -18.421 -9.254 2.286 772 HA LEU 102 HA LEU 102 -17.808 -12.060 2.238 773 HB2 LEU 102 HB2 LEU 102 -16.143 -9.675 1.435 774 HB3 LEU 102 HB3 LEU 102 -15.658 -11.343 1.199 775 HG LEU 102 HG LEU 102 -18.123 -11.257 -0.006 776 HD11 LEU 102 HD11 LEU 102 -18.131 -9.334 -1.467 777 HD12 LEU 102 HD12 LEU 102 -18.218 -8.838 0.224 778 HD13 LEU 102 HD13 LEU 102 -16.697 -8.699 -0.661 779 HD21 LEU 102 HD21 LEU 102 -16.074 -12.342 -0.831 780 HD22 LEU 102 HD22 LEU 102 -16.895 -11.414 -2.086 781 HD23 LEU 102 HD23 LEU 102 -15.454 -10.761 -1.306 782 H GLY 103 H GLY 103 -16.628 -9.228 3.939 783 HA2 GLY 103 HA2 GLY 103 -15.776 -9.119 6.100 784 HA3 GLY 103 HA3 GLY 103 -15.822 -10.873 6.178 785 H VAL 104 H VAL 104 -14.303 -9.864 3.390 786 HA VAL 104 HA VAL 104 -11.824 -10.976 4.234 787 HB VAL 104 HB VAL 104 -12.748 -11.178 1.935 788 HG11 VAL 104 HG11 VAL 104 -12.411 -9.318 0.361 789 HG12 VAL 104 HG12 VAL 104 -13.583 -8.941 1.623 790 HG13 VAL 104 HG13 VAL 104 -11.949 -8.285 1.713 791 HG21 VAL 104 HG21 VAL 104 -10.619 -10.977 0.772 792 HG22 VAL 104 HG22 VAL 104 -9.994 -9.950 2.060 793 HG23 VAL 104 HG23 VAL 104 -10.383 -11.638 2.390 794 H GLN 105 H GLN 105 -9.755 -9.972 4.292 795 HA GLN 105 HA GLN 105 -9.910 -7.212 5.284 796 HB2 GLN 105 HB2 GLN 105 -7.765 -9.319 5.601 797 HB3 GLN 105 HB3 GLN 105 -7.725 -7.718 6.328 798 HG2 GLN 105 HG2 GLN 105 -9.585 -8.220 7.725 799 HG3 GLN 105 HG3 GLN 105 -9.897 -9.729 6.868 800 HE21 GLN 105 HE21 GLN 105 -6.682 -8.663 7.663 801 HE22 GLN 105 HE22 GLN 105 -6.361 -9.877 8.855 802 H VAL 106 H VAL 106 -9.873 -7.795 2.421 803 HA VAL 106 HA VAL 106 -7.400 -7.574 1.191 804 HB VAL 106 HB VAL 106 -8.661 -6.397 -0.691 805 HG11 VAL 106 HG11 VAL 106 -8.260 -8.808 -0.653 806 HG12 VAL 106 HG12 VAL 106 -9.736 -9.036 0.286 807 HG13 VAL 106 HG13 VAL 106 -9.828 -8.416 -1.365 808 HG21 VAL 106 HG21 VAL 106 -10.984 -6.959 1.148 809 HG22 VAL 106 HG22 VAL 106 -10.412 -5.372 0.632 810 HG23 VAL 106 HG23 VAL 106 -11.118 -6.481 -0.545 811 H ARG 107 H ARG 107 -9.135 -5.147 2.921 812 HA ARG 107 HA ARG 107 -8.175 -2.856 1.603 813 HB2 ARG 107 HB2 ARG 107 -8.821 -1.687 3.747 814 HB3 ARG 107 HB3 ARG 107 -10.091 -2.600 2.949 815 HG2 ARG 107 HG2 ARG 107 -9.605 -4.480 4.539 816 HG3 ARG 107 HG3 ARG 107 -8.542 -3.371 5.409 817 HD2 ARG 107 HD2 ARG 107 -10.772 -3.456 6.421 818 HD3 ARG 107 HD3 ARG 107 -10.411 -1.851 5.789 819 HE ARG 107 HE ARG 107 -11.960 -3.711 4.130 820 HH11 ARG 107 HH11 ARG 107 -11.852 -0.814 6.107 821 HH12 ARG 107 HH12 ARG 107 -13.369 -0.200 5.506 822 HH21 ARG 107 HH21 ARG 107 -13.934 -2.892 3.327 823 HH22 ARG 107 HH22 ARG 107 -14.549 -1.369 3.896 824 H GLU 108 H GLU 108 -6.606 -5.002 3.766 825 HA GLU 108 HA GLU 108 -4.265 -3.223 3.669 826 HB2 GLU 108 HB2 GLU 108 -5.204 -4.858 6.022 827 HB3 GLU 108 HB3 GLU 108 -3.563 -4.252 5.880 828 HG2 GLU 108 HG2 GLU 108 -4.467 -1.952 5.787 829 HG3 GLU 108 HG3 GLU 108 -6.080 -2.616 6.060 830 H GLU 109 H GLU 109 -5.480 -6.504 4.070 831 HA GLU 109 HA GLU 109 -3.020 -7.832 4.032 832 HB2 GLU 109 HB2 GLU 109 -5.068 -8.839 4.867 833 HB3 GLU 109 HB3 GLU 109 -5.767 -8.814 3.256 834 HG2 GLU 109 HG2 GLU 109 -4.117 -10.406 2.487 835 HG3 GLU 109 HG3 GLU 109 -3.334 -10.388 4.066 836 H LEU 110 H LEU 110 -5.332 -7.256 1.396 837 HA LEU 110 HA LEU 110 -3.865 -8.696 -0.543 838 HB2 LEU 110 HB2 LEU 110 -6.257 -8.246 -0.759 839 HB3 LEU 110 HB3 LEU 110 -5.931 -6.529 -0.899 840 HG LEU 110 HG LEU 110 -4.627 -7.039 -2.993 841 HD11 LEU 110 HD11 LEU 110 -5.925 -9.740 -2.662 842 HD12 LEU 110 HD12 LEU 110 -5.074 -9.176 -4.099 843 HD13 LEU 110 HD13 LEU 110 -4.197 -9.397 -2.585 844 HD21 LEU 110 HD21 LEU 110 -7.551 -7.762 -2.956 845 HD22 LEU 110 HD22 LEU 110 -6.884 -6.133 -3.048 846 HD23 LEU 110 HD23 LEU 110 -6.627 -7.267 -4.374 847 H LEU 111 H LEU 111 -3.736 -5.394 0.566 848 HA LEU 111 HA LEU 111 -2.494 -4.246 -1.676 849 HB2 LEU 111 HB2 LEU 111 -2.331 -3.417 1.220 850 HB3 LEU 111 HB3 LEU 111 -1.851 -2.428 -0.144 851 HG LEU 111 HG LEU 111 -4.644 -3.335 0.543 852 HD11 LEU 111 HD11 LEU 111 -3.388 -0.598 0.420 853 HD12 LEU 111 HD12 LEU 111 -5.074 -0.954 0.799 854 HD13 LEU 111 HD13 LEU 111 -3.795 -1.489 1.887 855 HD21 LEU 111 HD21 LEU 111 -3.671 -1.770 -1.845 856 HD22 LEU 111 HD22 LEU 111 -4.354 -3.396 -1.867 857 HD23 LEU 111 HD23 LEU 111 -5.361 -2.024 -1.407 858 H ARG 112 H ARG 112 -1.206 -5.961 1.101 859 HA ARG 112 HA ARG 112 1.406 -5.872 -0.223 860 HB2 ARG 112 HB2 ARG 112 2.275 -6.324 2.201 861 HB3 ARG 112 HB3 ARG 112 1.955 -4.695 1.647 862 HG2 ARG 112 HG2 ARG 112 1.085 -4.805 3.814 863 HG3 ARG 112 HG3 ARG 112 -0.312 -4.907 2.747 864 HD2 ARG 112 HD2 ARG 112 -0.472 -7.276 3.091 865 HD3 ARG 112 HD3 ARG 112 1.048 -7.294 3.987 866 HE ARG 112 HE ARG 112 -0.532 -5.556 5.368 867 HH11 ARG 112 HH11 ARG 112 -0.872 -8.898 4.366 868 HH12 ARG 112 HH12 ARG 112 -1.863 -9.329 5.735 869 HH21 ARG 112 HH21 ARG 112 -1.826 -6.134 7.167 870 HH22 ARG 112 HH22 ARG 112 -2.381 -7.774 7.322 871 H ALA 113 H ALA 113 -0.187 -7.681 -1.055 872 HA ALA 113 HA ALA 113 0.541 -10.173 0.331 873 HB1 ALA 113 HB1 ALA 113 -1.416 -11.187 -0.699 874 HB2 ALA 113 HB2 ALA 113 -1.871 -9.763 0.239 875 HB3 ALA 113 HB3 ALA 113 -1.784 -9.672 -1.520 876 H GLN 114 H GLN 114 1.917 -11.461 -0.691 877 HA GLN 114 HA GLN 114 2.033 -11.431 -3.611 878 HB2 GLN 114 HB2 GLN 114 4.449 -11.357 -3.638 879 HB3 GLN 114 HB3 GLN 114 3.852 -9.953 -2.772 880 HG2 GLN 114 HG2 GLN 114 4.808 -12.448 -1.396 881 HG3 GLN 114 HG3 GLN 114 5.867 -11.100 -1.796 882 HE21 GLN 114 HE21 GLN 114 3.850 -9.070 -1.239 883 HE22 GLN 114 HE22 GLN 114 3.689 -9.016 0.485 884 H GLU 115 H GLU 115 3.357 -13.355 -4.400 885 HA GLU 115 HA GLU 115 3.580 -15.608 -4.556 886 HB2 GLU 115 HB2 GLU 115 3.928 -15.395 -1.573 887 HB3 GLU 115 HB3 GLU 115 4.256 -16.836 -2.518 888 HG2 GLU 115 HG2 GLU 115 5.978 -15.599 -3.768 889 HG3 GLU 115 HG3 GLU 115 5.670 -14.190 -2.752 890 H ALA 116 H ALA 116 1.054 -14.783 -4.661 891 HA ALA 116 HA ALA 116 -0.460 -16.763 -3.090 892 HB1 ALA 116 HB1 ALA 116 -2.431 -15.371 -3.421 893 HB2 ALA 116 HB2 ALA 116 -1.137 -14.441 -2.665 894 HB3 ALA 116 HB3 ALA 116 -1.484 -14.234 -4.383 895 HA PRO 117 HA PRO 117 -0.701 -18.286 -7.382 896 HB2 PRO 117 HB2 PRO 117 -0.137 -20.843 -6.893 897 HB3 PRO 117 HB3 PRO 117 1.130 -19.610 -6.841 898 HG2 PRO 117 HG2 PRO 117 -0.283 -20.973 -4.599 899 HG3 PRO 117 HG3 PRO 117 1.407 -20.455 -4.714 900 HD2 PRO 117 HD2 PRO 117 -0.671 -19.072 -3.426 901 HD3 PRO 117 HD3 PRO 117 0.923 -18.417 -3.844 902 H GLY 118 H GLY 118 -2.191 -19.619 -8.482 903 HA2 GLY 118 HA2 GLY 118 -4.546 -20.366 -6.861 904 HA3 GLY 118 HA3 GLY 118 -4.613 -19.849 -8.541 905 H GLN 119 H GLN 119 -5.701 -22.274 -7.458 906 HA GLN 119 HA GLN 119 -3.907 -24.322 -8.519 907 HB2 GLN 119 HB2 GLN 119 -5.414 -25.945 -7.445 908 HB3 GLN 119 HB3 GLN 119 -4.767 -24.785 -6.305 909 HG2 GLN 119 HG2 GLN 119 -7.513 -24.554 -7.512 910 HG3 GLN 119 HG3 GLN 119 -7.182 -25.404 -6.006 911 HE21 GLN 119 HE21 GLN 119 -6.598 -24.228 -4.182 912 HE22 GLN 119 HE22 GLN 119 -6.896 -22.522 -4.067 913 H ALA 120 H ALA 120 -4.441 -23.220 -10.640 914 HA ALA 120 HA ALA 120 -7.045 -23.939 -11.741 915 HB1 ALA 120 HB1 ALA 120 -6.413 -22.564 -13.645 916 HB2 ALA 120 HB2 ALA 120 -6.189 -21.676 -12.138 917 HB3 ALA 120 HB3 ALA 120 -4.794 -22.356 -12.975 918 H1 GLN 1 HT1 GLN 1 -19.110 21.975 0.721 919 H2 GLN 1 HT2 GLN 1 -17.898 23.109 0.393 920 H3 GLN 1 HT3 GLN 1 -19.021 23.400 1.632 921 HA GLN 1 HA GLN 1 -16.902 22.737 2.536 922 HB2 GLN 1 HB2 GLN 1 -17.685 21.043 4.047 923 HB3 GLN 1 HB3 GLN 1 -19.042 22.098 3.674 924 HG2 GLN 1 HG2 GLN 1 -18.558 19.421 2.381 925 HG3 GLN 1 HG3 GLN 1 -19.613 19.688 3.765 926 HE21 GLN 1 HE21 GLN 1 -20.214 18.675 1.096 927 HE22 GLN 1 HE22 GLN 1 -21.451 19.719 0.463 928 H ASP 2 H ASP 2 -16.974 21.809 -0.348 929 HA ASP 2 HA ASP 2 -15.860 19.123 -0.132 930 HB2 ASP 2 HB2 ASP 2 -16.350 20.821 -2.589 931 HB3 ASP 2 HB3 ASP 2 -15.875 19.126 -2.582 932 H THR 3 H THR 3 -14.077 19.911 1.116 933 HA THR 3 HA THR 3 -12.258 21.869 0.411 934 HB THR 3 HB THR 3 -11.617 19.302 1.872 935 HG1 THR 3 HG1 THR 3 -12.591 21.767 2.949 936 HG21 THR 3 HG21 THR 3 -10.414 22.065 2.091 937 HG22 THR 3 HG22 THR 3 -9.949 20.648 3.034 938 HG23 THR 3 HG23 THR 3 -9.664 20.683 1.294 939 H ARG 4 H ARG 4 -10.935 22.050 -1.275 940 HA ARG 4 HA ARG 4 -10.285 19.787 -2.934 941 HB2 ARG 4 HB2 ARG 4 -10.646 22.059 -3.866 942 HB3 ARG 4 HB3 ARG 4 -9.198 22.608 -3.031 943 HG2 ARG 4 HG2 ARG 4 -7.921 20.877 -4.331 944 HG3 ARG 4 HG3 ARG 4 -9.389 20.617 -5.274 945 HD2 ARG 4 HD2 ARG 4 -9.380 22.988 -5.914 946 HD3 ARG 4 HD3 ARG 4 -7.887 23.220 -5.004 947 HE ARG 4 HE ARG 4 -8.190 21.971 -7.589 948 HH11 ARG 4 HH11 ARG 4 -6.146 22.314 -4.766 949 HH12 ARG 4 HH12 ARG 4 -4.688 21.910 -5.612 950 HH21 ARG 4 HH21 ARG 4 -6.288 21.427 -8.711 951 HH22 ARG 4 HH22 ARG 4 -4.774 21.363 -7.854 952 H LEU 5 H LEU 5 -8.527 18.553 -2.843 953 HA LEU 5 HA LEU 5 -6.476 19.192 -0.880 954 HB2 LEU 5 HB2 LEU 5 -7.277 16.718 -2.361 955 HB3 LEU 5 HB3 LEU 5 -5.686 16.821 -1.635 956 HG LEU 5 HG LEU 5 -8.283 17.161 -0.130 957 HD11 LEU 5 HD11 LEU 5 -7.965 14.877 -0.979 958 HD12 LEU 5 HD12 LEU 5 -6.395 14.819 -0.176 959 HD13 LEU 5 HD13 LEU 5 -7.867 14.970 0.780 960 HD21 LEU 5 HD21 LEU 5 -5.433 16.904 0.821 961 HD22 LEU 5 HD22 LEU 5 -6.416 18.367 0.868 962 HD23 LEU 5 HD23 LEU 5 -6.862 16.975 1.854 Start of MODEL 8 1 H1 GLY 4 HT1 GLY 4 -23.615 -15.940 1.492 2 H2 GLY 4 HT2 GLY 4 -22.328 -15.518 0.480 3 H3 GLY 4 HT3 GLY 4 -22.207 -15.267 2.150 4 HA2 GLY 4 HA3 GLY 4 -22.317 -17.674 2.521 5 HA3 GLY 4 HA2 GLY 4 -22.354 -17.897 0.775 6 H ILE 5 H ILE 5 -20.434 -18.609 0.093 7 HA ILE 5 HA ILE 5 -18.022 -17.563 1.375 8 HB ILE 5 HB ILE 5 -18.142 -19.982 1.102 9 HG12 ILE 5 HG12 ILE 5 -15.940 -18.705 0.941 10 HG13 ILE 5 HG13 ILE 5 -15.942 -20.365 0.367 11 HG21 ILE 5 HG21 ILE 5 -18.021 -21.050 -1.095 12 HG22 ILE 5 HG22 ILE 5 -19.518 -20.146 -0.868 13 HG23 ILE 5 HG23 ILE 5 -18.223 -19.472 -1.857 14 HD11 ILE 5 HD11 ILE 5 -16.083 -19.548 -1.941 15 HD12 ILE 5 HD12 ILE 5 -16.048 -17.890 -1.343 16 HD13 ILE 5 HD13 ILE 5 -14.655 -18.943 -1.103 17 H ASP 6 H ASP 6 -17.105 -15.879 0.572 18 HA ASP 6 HA ASP 6 -17.503 -15.246 -2.278 19 HB2 ASP 6 HB2 ASP 6 -17.471 -13.419 0.122 20 HB3 ASP 6 HB3 ASP 6 -17.217 -12.821 -1.515 21 HA PRO 7 HA PRO 7 -13.037 -15.449 -2.431 22 HB2 PRO 7 HB2 PRO 7 -13.472 -14.256 -5.097 23 HB3 PRO 7 HB3 PRO 7 -12.688 -15.778 -4.662 24 HG2 PRO 7 HG2 PRO 7 -15.075 -15.748 -5.844 25 HG3 PRO 7 HG3 PRO 7 -14.680 -16.942 -4.595 26 HD2 PRO 7 HD2 PRO 7 -16.288 -14.421 -4.359 27 HD3 PRO 7 HD3 PRO 7 -16.617 -16.031 -3.681 28 H PHE 8 H PHE 8 -11.324 -13.877 -3.218 29 HA PHE 8 HA PHE 8 -11.834 -11.342 -1.956 30 HB2 PHE 8 HB2 PHE 8 -9.354 -12.484 -3.250 31 HB3 PHE 8 HB3 PHE 8 -9.418 -10.907 -2.467 32 HD1 PHE 8 HD1 PHE 8 -10.005 -10.800 -0.021 33 HD2 PHE 8 HD2 PHE 8 -9.026 -14.439 -1.997 34 HE1 PHE 8 HE1 PHE 8 -9.525 -11.848 2.154 35 HE2 PHE 8 HE2 PHE 8 -8.546 -15.490 0.175 36 HZ PHE 8 HZ PHE 8 -8.797 -14.198 2.252 37 H THR 9 H THR 9 -13.416 -10.554 -3.391 38 HA THR 9 HA THR 9 -12.341 -9.534 -5.935 39 HB THR 9 HB THR 9 -14.172 -11.139 -6.280 40 HG1 THR 9 HG1 THR 9 -15.707 -9.272 -7.165 41 HG21 THR 9 HG21 THR 9 -16.465 -10.556 -5.535 42 HG22 THR 9 HG22 THR 9 -15.372 -10.906 -4.197 43 HG23 THR 9 HG23 THR 9 -15.789 -9.233 -4.581 44 H MET 10 H MET 10 -12.860 -7.400 -6.510 45 HA MET 10 HA MET 10 -13.224 -5.184 -6.187 46 HB2 MET 10 HB2 MET 10 -15.354 -6.253 -4.331 47 HB3 MET 10 HB3 MET 10 -15.190 -4.558 -4.754 48 HG2 MET 10 HG2 MET 10 -15.698 -6.787 -6.709 49 HG3 MET 10 HG3 MET 10 -16.928 -5.714 -6.045 50 HE1 MET 10 HE1 MET 10 -17.796 -4.941 -8.365 51 HE2 MET 10 HE2 MET 10 -16.756 -4.405 -9.683 52 HE3 MET 10 HE3 MET 10 -16.681 -6.076 -9.128 53 H LEU 11 H LEU 11 -11.012 -5.651 -5.050 54 HA LEU 11 HA LEU 11 -11.089 -5.287 -2.173 55 HB2 LEU 11 HB2 LEU 11 -8.715 -5.454 -4.037 56 HB3 LEU 11 HB3 LEU 11 -8.643 -5.464 -2.287 57 HG LEU 11 HG LEU 11 -8.351 -7.688 -2.862 58 HD11 LEU 11 HD11 LEU 11 -10.001 -7.484 -1.128 59 HD12 LEU 11 HD12 LEU 11 -11.290 -7.355 -2.324 60 HD13 LEU 11 HD13 LEU 11 -10.388 -8.862 -2.159 61 HD21 LEU 11 HD21 LEU 11 -10.605 -7.447 -4.845 62 HD22 LEU 11 HD22 LEU 11 -8.883 -7.504 -5.227 63 HD23 LEU 11 HD23 LEU 11 -9.674 -8.906 -4.504 64 HA PRO 12 HA PRO 12 -10.822 -0.891 -2.115 65 HB2 PRO 12 HB2 PRO 12 -9.083 -0.603 0.024 66 HB3 PRO 12 HB3 PRO 12 -10.828 -0.827 0.162 67 HG2 PRO 12 HG2 PRO 12 -8.630 -2.827 0.434 68 HG3 PRO 12 HG3 PRO 12 -10.141 -2.683 1.349 69 HD2 PRO 12 HD2 PRO 12 -9.828 -4.526 -0.581 70 HD3 PRO 12 HD3 PRO 12 -11.388 -3.724 -0.301 71 H ARG 13 H ARG 13 -9.662 0.410 -3.366 72 HA ARG 13 HA ARG 13 -7.090 -0.557 -4.289 73 HB2 ARG 13 HB2 ARG 13 -7.338 1.100 -6.073 74 HB3 ARG 13 HB3 ARG 13 -8.775 0.097 -5.935 75 HG2 ARG 13 HG2 ARG 13 -9.743 1.989 -4.513 76 HG3 ARG 13 HG3 ARG 13 -8.414 2.966 -5.142 77 HD2 ARG 13 HD2 ARG 13 -10.589 1.597 -6.715 78 HD3 ARG 13 HD3 ARG 13 -10.341 3.331 -6.518 79 HE ARG 13 HE ARG 13 -8.069 2.679 -7.687 80 HH11 ARG 13 HH11 ARG 13 -11.313 1.605 -8.401 81 HH12 ARG 13 HH12 ARG 13 -11.008 1.374 -10.096 82 HH21 ARG 13 HH21 ARG 13 -7.632 2.349 -9.912 83 HH22 ARG 13 HH22 ARG 13 -8.900 1.772 -10.956 84 H LEU 14 H LEU 14 -5.190 0.266 -3.773 85 HA LEU 14 HA LEU 14 -5.077 2.620 -2.061 86 HB2 LEU 14 HB2 LEU 14 -3.794 0.540 -1.494 87 HB3 LEU 14 HB3 LEU 14 -2.837 0.784 -2.941 88 HG LEU 14 HG LEU 14 -2.942 2.937 -0.850 89 HD11 LEU 14 HD11 LEU 14 -0.980 1.932 0.219 90 HD12 LEU 14 HD12 LEU 14 -2.404 0.905 0.370 91 HD13 LEU 14 HD13 LEU 14 -1.154 0.508 -0.807 92 HD21 LEU 14 HD21 LEU 14 -1.887 3.417 -3.011 93 HD22 LEU 14 HD22 LEU 14 -0.707 3.420 -1.699 94 HD23 LEU 14 HD23 LEU 14 -0.810 2.037 -2.791 95 H CYS 15 H CYS 15 -5.020 4.493 -3.052 96 HA CYS 15 HA CYS 15 -3.758 4.665 -5.698 97 HB2 CYS 15 HB2 CYS 15 -5.675 6.586 -4.361 98 HB3 CYS 15 HB3 CYS 15 -5.107 6.668 -6.028 99 HG CYS 15 HG CYS 15 -7.814 5.360 -5.026 100 H CYS 16 H CYS 16 -1.777 5.475 -5.733 101 HA CYS 16 HA CYS 16 -0.836 7.164 -3.569 102 HB2 CYS 16 HB2 CYS 16 1.332 7.031 -4.998 103 HB3 CYS 16 HB3 CYS 16 0.790 5.598 -4.130 104 HG CYS 16 HG CYS 16 -0.101 6.047 -7.393 105 H LEU 17 H LEU 17 -1.385 9.219 -3.674 106 HA LEU 17 HA LEU 17 -1.491 10.550 -6.283 107 HB2 LEU 17 HB2 LEU 17 -2.579 11.313 -3.577 108 HB3 LEU 17 HB3 LEU 17 -2.532 12.434 -4.922 109 HG LEU 17 HG LEU 17 -3.920 10.697 -6.195 110 HD11 LEU 17 HD11 LEU 17 -5.279 9.210 -4.852 111 HD12 LEU 17 HD12 LEU 17 -3.566 8.819 -4.695 112 HD13 LEU 17 HD13 LEU 17 -4.392 9.691 -3.404 113 HD21 LEU 17 HD21 LEU 17 -4.816 12.807 -5.430 114 HD22 LEU 17 HD22 LEU 17 -6.001 11.520 -5.203 115 HD23 LEU 17 HD23 LEU 17 -5.088 12.133 -3.824 116 H GLU 18 H GLU 18 -0.176 12.198 -6.811 117 HA GLU 18 HA GLU 18 1.975 12.840 -4.914 118 HB2 GLU 18 HB2 GLU 18 2.645 11.738 -7.049 119 HB3 GLU 18 HB3 GLU 18 1.956 13.098 -7.929 120 HG2 GLU 18 HG2 GLU 18 3.564 14.603 -6.916 121 HG3 GLU 18 HG3 GLU 18 4.226 13.277 -5.958 122 H LYS 19 H LYS 19 2.420 14.957 -4.438 123 HA LYS 19 HA LYS 19 0.389 16.863 -4.682 124 HB2 LYS 19 HB2 LYS 19 2.071 16.977 -2.910 125 HB3 LYS 19 HB3 LYS 19 3.326 17.293 -4.101 126 HG2 LYS 19 HG2 LYS 19 2.936 19.423 -3.471 127 HG3 LYS 19 HG3 LYS 19 1.694 19.298 -4.713 128 HD2 LYS 19 HD2 LYS 19 1.309 18.970 -1.741 129 HD3 LYS 19 HD3 LYS 19 0.792 20.334 -2.730 130 HE2 LYS 19 HE2 LYS 19 -0.747 18.885 -3.937 131 HE3 LYS 19 HE3 LYS 19 -0.226 17.510 -2.965 132 HZ1 LYS 19 HZ1 LYS 19 -1.463 19.966 -1.831 133 HZ2 LYS 19 HZ2 LYS 19 -2.335 18.558 -2.199 134 HZ3 LYS 19 HZ3 LYS 19 -1.119 18.521 -1.010 135 H GLY 20 H GLY 20 -0.164 18.194 -6.219 136 HA2 GLY 20 HA2 GLY 20 1.561 18.381 -8.594 137 HA3 GLY 20 HA3 GLY 20 -0.177 18.648 -8.571 138 HA PRO 21 HA PRO 21 1.831 22.774 -8.992 139 HB2 PRO 21 HB2 PRO 21 -0.970 23.381 -9.800 140 HB3 PRO 21 HB3 PRO 21 0.552 23.833 -10.576 141 HG2 PRO 21 HG2 PRO 21 -0.957 21.905 -11.605 142 HG3 PRO 21 HG3 PRO 21 0.811 21.752 -11.581 143 HD2 PRO 21 HD2 PRO 21 -1.228 20.460 -9.812 144 HD3 PRO 21 HD3 PRO 21 0.269 19.784 -10.487 145 H ASN 22 H ASN 22 -1.484 22.306 -7.710 146 HA ASN 22 HA ASN 22 -0.703 23.989 -5.421 147 HB2 ASN 22 HB2 ASN 22 -2.772 25.173 -5.420 148 HB3 ASN 22 HB3 ASN 22 -2.164 25.249 -7.068 149 HD21 ASN 22 HD21 ASN 22 -3.246 24.175 -8.692 150 HD22 ASN 22 HD22 ASN 22 -4.820 23.484 -8.470 151 H GLY 23 H GLY 23 -1.446 20.998 -6.273 152 HA2 GLY 23 HA2 GLY 23 -2.219 19.969 -3.864 153 HA3 GLY 23 HA3 GLY 23 -3.728 20.434 -4.635 154 H TYR 24 H TYR 24 -3.978 18.036 -4.288 155 HA TYR 24 HA TYR 24 -2.613 16.349 -6.229 156 HB2 TYR 24 HB2 TYR 24 -4.870 15.660 -4.332 157 HB3 TYR 24 HB3 TYR 24 -3.884 14.518 -5.239 158 HD1 TYR 24 HD2 TYR 24 -1.260 14.829 -4.804 159 HD2 TYR 24 HD1 TYR 24 -4.346 15.986 -2.120 160 HE1 TYR 24 HE2 TYR 24 0.338 14.748 -2.944 161 HE2 TYR 24 HE1 TYR 24 -2.757 15.908 -0.249 162 HH TYR 24 HH TYR 24 -0.633 14.831 0.322 163 H GLY 25 H GLY 25 -5.650 17.981 -5.758 164 HA2 GLY 25 HA2 GLY 25 -6.718 18.837 -7.733 165 HA3 GLY 25 HA3 GLY 25 -6.215 17.391 -8.588 166 H PHE 26 H PHE 26 -7.589 17.045 -5.389 167 HA PHE 26 HA PHE 26 -10.192 16.512 -6.634 168 HB2 PHE 26 HB2 PHE 26 -10.545 14.491 -5.400 169 HB3 PHE 26 HB3 PHE 26 -9.025 14.337 -6.277 170 HD1 PHE 26 HD1 PHE 26 -6.862 14.694 -4.972 171 HD2 PHE 26 HD2 PHE 26 -10.657 14.166 -3.113 172 HE1 PHE 26 HE1 PHE 26 -5.747 14.031 -2.884 173 HE2 PHE 26 HE2 PHE 26 -9.544 13.508 -1.021 174 HZ PHE 26 HZ PHE 26 -7.087 13.431 -0.908 175 H HIS 27 H HIS 27 -11.966 16.578 -5.191 176 HA HIS 27 HA HIS 27 -11.470 18.407 -2.952 177 HB2 HIS 27 HB2 HIS 27 -13.755 18.024 -4.830 178 HB3 HIS 27 HB3 HIS 27 -14.114 18.563 -3.193 179 HD1 HIS 27 HD1 HIS 27 -14.069 20.991 -2.849 180 HD2 HIS 27 HD2 HIS 27 -11.768 19.842 -6.128 181 HE1 HIS 27 HE1 HIS 27 -13.240 23.135 -3.892 182 HE2 HIS 27 HE2 HIS 27 -11.935 22.422 -5.931 183 H LEU 28 H LEU 28 -11.577 17.615 -0.991 184 HA LEU 28 HA LEU 28 -12.958 15.068 -0.559 185 HB2 LEU 28 HB2 LEU 28 -10.539 15.617 0.243 186 HB3 LEU 28 HB3 LEU 28 -11.322 16.579 1.477 187 HG LEU 28 HG LEU 28 -10.622 14.324 2.249 188 HD11 LEU 28 HD11 LEU 28 -13.596 14.803 2.293 189 HD12 LEU 28 HD12 LEU 28 -12.705 13.740 3.383 190 HD13 LEU 28 HD13 LEU 28 -12.413 15.480 3.413 191 HD21 LEU 28 HD21 LEU 28 -10.992 13.079 0.206 192 HD22 LEU 28 HD22 LEU 28 -11.922 12.369 1.529 193 HD23 LEU 28 HD23 LEU 28 -12.728 13.368 0.316 194 H HIS 29 H HIS 29 -14.939 15.111 0.241 195 HA HIS 29 HA HIS 29 -15.895 17.645 1.355 196 HB2 HIS 29 HB2 HIS 29 -17.003 16.917 -0.704 197 HB3 HIS 29 HB3 HIS 29 -17.378 15.361 0.031 198 HD1 HIS 29 HD1 HIS 29 -18.380 18.965 0.076 199 HD2 HIS 29 HD2 HIS 29 -19.516 15.340 1.745 200 HE1 HIS 29 HE1 HIS 29 -20.623 19.393 1.159 201 HE2 HIS 29 HE2 HIS 29 -21.150 17.241 2.381 202 H GLY 30 H GLY 30 -16.988 17.656 3.315 203 HA2 GLY 30 HA2 GLY 30 -17.163 15.084 4.723 204 HA3 GLY 30 HA3 GLY 30 -16.271 16.407 5.458 205 H GLU 31 H GLU 31 -18.901 14.839 5.905 206 HA GLU 31 HA GLU 31 -20.821 16.975 6.183 207 HB2 GLU 31 HB2 GLU 31 -20.739 14.044 6.779 208 HB3 GLU 31 HB3 GLU 31 -21.942 15.033 7.593 209 HG2 GLU 31 HG2 GLU 31 -22.487 13.817 5.346 210 HG3 GLU 31 HG3 GLU 31 -23.123 15.426 5.682 211 H LYS 32 H LYS 32 -21.673 17.644 8.281 212 HA LYS 32 HA LYS 32 -19.465 18.071 10.101 213 HB2 LYS 32 HB2 LYS 32 -20.989 19.925 9.465 214 HB3 LYS 32 HB3 LYS 32 -22.297 19.103 10.307 215 HG2 LYS 32 HG2 LYS 32 -21.165 19.341 12.413 216 HG3 LYS 32 HG3 LYS 32 -19.736 19.996 11.616 217 HD2 LYS 32 HD2 LYS 32 -21.047 21.773 12.637 218 HD3 LYS 32 HD3 LYS 32 -21.041 21.933 10.881 219 HE2 LYS 32 HE2 LYS 32 -23.256 20.973 10.751 220 HE3 LYS 32 HE3 LYS 32 -23.260 20.674 12.489 221 HZ1 LYS 32 HZ1 LYS 32 -24.503 22.683 11.831 222 HZ2 LYS 32 HZ2 LYS 32 -23.232 23.017 12.904 223 HZ3 LYS 32 HZ3 LYS 32 -23.061 23.368 11.256 224 H GLY 33 H GLY 33 -19.402 15.762 10.570 225 HA2 GLY 33 HA2 GLY 33 -20.741 15.326 13.122 226 HA3 GLY 33 HA3 GLY 33 -20.973 14.093 11.883 227 H LYS 34 H LYS 34 -19.513 12.515 11.749 228 HA LYS 34 HA LYS 34 -16.752 13.120 12.529 229 HB2 LYS 34 HB2 LYS 34 -18.286 10.632 13.334 230 HB3 LYS 34 HB3 LYS 34 -16.553 10.851 13.543 231 HG2 LYS 34 HG2 LYS 34 -17.001 12.792 14.993 232 HG3 LYS 34 HG3 LYS 34 -18.727 12.484 14.826 233 HD2 LYS 34 HD2 LYS 34 -18.483 10.327 15.891 234 HD3 LYS 34 HD3 LYS 34 -16.732 10.540 15.976 235 HE2 LYS 34 HE2 LYS 34 -18.779 12.289 17.336 236 HE3 LYS 34 HE3 LYS 34 -17.836 11.022 18.121 237 HZ1 LYS 34 HZ1 LYS 34 -16.715 13.455 16.819 238 HZ2 LYS 34 HZ2 LYS 34 -16.879 13.217 18.489 239 HZ3 LYS 34 HZ3 LYS 34 -15.820 12.239 17.599 240 H LEU 35 H LEU 35 -18.521 10.267 11.368 241 HA LEU 35 HA LEU 35 -16.547 9.764 9.351 242 HB2 LEU 35 HB2 LEU 35 -19.257 8.503 9.773 243 HB3 LEU 35 HB3 LEU 35 -18.032 7.924 8.660 244 HG LEU 35 HG LEU 35 -16.582 7.849 10.881 245 HD11 LEU 35 HD11 LEU 35 -19.404 7.469 11.856 246 HD12 LEU 35 HD12 LEU 35 -17.944 7.084 12.767 247 HD13 LEU 35 HD13 LEU 35 -18.294 8.756 12.330 248 HD21 LEU 35 HD21 LEU 35 -18.611 5.765 10.095 249 HD22 LEU 35 HD22 LEU 35 -17.022 5.992 9.361 250 HD23 LEU 35 HD23 LEU 35 -17.153 5.483 11.046 251 H GLY 36 H GLY 36 -16.665 10.136 7.193 252 HA2 GLY 36 HA2 GLY 36 -18.651 10.523 5.475 253 HA3 GLY 36 HA3 GLY 36 -18.708 12.044 6.353 254 H GLN 37 H GLN 37 -16.069 10.007 5.135 255 HA GLN 37 HA GLN 37 -14.886 12.374 3.887 256 HB2 GLN 37 HB2 GLN 37 -13.763 9.583 4.266 257 HB3 GLN 37 HB3 GLN 37 -12.888 10.949 3.596 258 HG2 GLN 37 HG2 GLN 37 -12.173 10.624 5.836 259 HG3 GLN 37 HG3 GLN 37 -13.128 12.102 5.781 260 HE21 GLN 37 HE21 GLN 37 -13.542 12.011 7.978 261 HE22 GLN 37 HE22 GLN 37 -14.625 10.865 8.677 262 H TYR 38 H TYR 38 -15.427 12.716 1.824 263 HA TYR 38 HA TYR 38 -15.763 10.412 0.050 264 HB2 TYR 38 HB2 TYR 38 -17.817 12.614 0.417 265 HB3 TYR 38 HB3 TYR 38 -17.862 11.415 -0.873 266 HD1 TYR 38 HD2 TYR 38 -17.638 8.911 0.018 267 HD2 TYR 38 HD1 TYR 38 -19.142 12.185 2.300 268 HE1 TYR 38 HE2 TYR 38 -18.809 7.341 1.494 269 HE2 TYR 38 HE1 TYR 38 -20.307 10.608 3.785 270 HH TYR 38 HH TYR 38 -21.161 8.311 3.762 271 H ILE 39 H ILE 39 -14.895 10.693 -1.894 272 HA ILE 39 HA ILE 39 -13.640 13.174 -2.619 273 HB ILE 39 HB ILE 39 -14.126 10.825 -4.454 274 HG12 ILE 39 HG12 ILE 39 -13.097 9.939 -2.437 275 HG13 ILE 39 HG13 ILE 39 -11.917 9.963 -3.741 276 HG21 ILE 39 HG21 ILE 39 -11.972 12.935 -4.395 277 HG22 ILE 39 HG22 ILE 39 -12.089 11.613 -5.557 278 HG23 ILE 39 HG23 ILE 39 -13.332 12.862 -5.516 279 HD11 ILE 39 HD11 ILE 39 -10.903 10.664 -1.682 280 HD12 ILE 39 HD12 ILE 39 -10.973 12.026 -2.804 281 HD13 ILE 39 HD13 ILE 39 -12.124 11.918 -1.471 282 H ARG 40 H ARG 40 -14.859 14.851 -3.311 283 HA ARG 40 HA ARG 40 -17.515 14.218 -4.359 284 HB2 ARG 40 HB2 ARG 40 -17.044 15.930 -2.485 285 HB3 ARG 40 HB3 ARG 40 -16.526 16.996 -3.786 286 HG2 ARG 40 HG2 ARG 40 -18.746 16.649 -4.859 287 HG3 ARG 40 HG3 ARG 40 -19.246 15.767 -3.417 288 HD2 ARG 40 HD2 ARG 40 -20.044 17.942 -3.092 289 HD3 ARG 40 HD3 ARG 40 -18.580 17.850 -2.114 290 HE ARG 40 HE ARG 40 -17.868 18.834 -4.626 291 HH11 ARG 40 HH11 ARG 40 -19.858 19.795 -1.922 292 HH12 ARG 40 HH12 ARG 40 -19.579 21.499 -2.142 293 HH21 ARG 40 HH21 ARG 40 -17.504 21.076 -4.948 294 HH22 ARG 40 HH22 ARG 40 -18.242 22.221 -3.872 295 H LEU 41 H LEU 41 -14.465 15.274 -5.466 296 HA LEU 41 HA LEU 41 -15.356 15.428 -8.175 297 HB2 LEU 41 HB2 LEU 41 -16.081 17.639 -7.367 298 HB3 LEU 41 HB3 LEU 41 -14.447 17.981 -6.836 299 HG LEU 41 HG LEU 41 -13.734 17.746 -9.256 300 HD11 LEU 41 HD11 LEU 41 -15.653 16.527 -10.091 301 HD12 LEU 41 HD12 LEU 41 -16.714 17.875 -9.688 302 HD13 LEU 41 HD13 LEU 41 -15.488 18.063 -10.943 303 HD21 LEU 41 HD21 LEU 41 -15.673 19.941 -8.544 304 HD22 LEU 41 HD22 LEU 41 -13.955 19.901 -8.146 305 HD23 LEU 41 HD23 LEU 41 -14.468 20.003 -9.830 306 H VAL 42 H VAL 42 -13.717 14.872 -9.467 307 HA VAL 42 HA VAL 42 -10.989 15.558 -8.605 308 HB VAL 42 HB VAL 42 -11.183 13.152 -8.440 309 HG11 VAL 42 HG11 VAL 42 -12.106 13.193 -11.304 310 HG12 VAL 42 HG12 VAL 42 -11.690 11.749 -10.381 311 HG13 VAL 42 HG13 VAL 42 -13.064 12.741 -9.893 312 HG21 VAL 42 HG21 VAL 42 -9.080 14.033 -9.258 313 HG22 VAL 42 HG22 VAL 42 -9.425 12.466 -9.990 314 HG23 VAL 42 HG23 VAL 42 -9.672 13.946 -10.916 315 H GLU 43 H GLU 43 -9.837 16.733 -10.033 316 HA GLU 43 HA GLU 43 -11.346 17.754 -12.289 317 HB2 GLU 43 HB2 GLU 43 -9.635 19.488 -12.388 318 HB3 GLU 43 HB3 GLU 43 -10.208 19.299 -10.738 319 HG2 GLU 43 HG2 GLU 43 -8.221 17.907 -10.263 320 HG3 GLU 43 HG3 GLU 43 -7.641 18.257 -11.891 321 HA PRO 44 HA PRO 44 -9.555 15.466 -15.503 322 HB2 PRO 44 HB2 PRO 44 -9.143 17.347 -17.445 323 HB3 PRO 44 HB3 PRO 44 -10.735 16.708 -17.023 324 HG2 PRO 44 HG2 PRO 44 -9.429 19.260 -16.171 325 HG3 PRO 44 HG3 PRO 44 -11.106 18.974 -16.668 326 HD2 PRO 44 HD2 PRO 44 -10.406 19.207 -14.078 327 HD3 PRO 44 HD3 PRO 44 -11.701 18.110 -14.603 328 H GLY 45 H GLY 45 -7.769 18.206 -14.341 329 HA2 GLY 45 HA2 GLY 45 -5.296 16.995 -15.409 330 HA3 GLY 45 HA3 GLY 45 -5.479 18.703 -15.034 331 H SER 46 H SER 46 -5.972 15.588 -13.351 332 HA SER 46 HA SER 46 -4.269 16.617 -11.194 333 HB2 SER 46 HB2 SER 46 -5.820 15.674 -9.534 334 HB3 SER 46 HB3 SER 46 -6.622 16.894 -10.521 335 HG SER 46 HG SER 46 -7.712 15.331 -11.606 336 HA PRO 47 HA PRO 47 -2.426 12.517 -11.375 337 HB2 PRO 47 HB2 PRO 47 -1.464 12.506 -8.798 338 HB3 PRO 47 HB3 PRO 47 -0.632 13.247 -10.168 339 HG2 PRO 47 HG2 PRO 47 -2.323 14.518 -8.060 340 HG3 PRO 47 HG3 PRO 47 -0.822 15.102 -8.802 341 HD2 PRO 47 HD2 PRO 47 -3.240 16.062 -9.514 342 HD3 PRO 47 HD3 PRO 47 -1.913 15.898 -10.681 343 H ALA 48 H ALA 48 -4.919 13.624 -9.316 344 HA ALA 48 HA ALA 48 -5.365 11.413 -7.664 345 HB1 ALA 48 HB1 ALA 48 -7.404 13.338 -8.780 346 HB2 ALA 48 HB2 ALA 48 -7.626 12.282 -7.387 347 HB3 ALA 48 HB3 ALA 48 -6.438 13.586 -7.323 348 H GLU 49 H GLU 49 -6.861 12.201 -10.828 349 HA GLU 49 HA GLU 49 -8.347 9.787 -10.939 350 HB2 GLU 49 HB2 GLU 49 -8.626 10.306 -13.358 351 HB3 GLU 49 HB3 GLU 49 -9.061 11.635 -12.295 352 HG2 GLU 49 HG2 GLU 49 -7.333 12.942 -12.984 353 HG3 GLU 49 HG3 GLU 49 -6.299 11.570 -13.375 354 H LYS 50 H LYS 50 -5.126 10.669 -11.885 355 HA LYS 50 HA LYS 50 -4.578 8.380 -13.484 356 HB2 LYS 50 HB2 LYS 50 -2.716 10.251 -12.014 357 HB3 LYS 50 HB3 LYS 50 -2.217 9.068 -13.218 358 HG2 LYS 50 HG2 LYS 50 -3.443 10.226 -14.935 359 HG3 LYS 50 HG3 LYS 50 -4.112 11.348 -13.749 360 HD2 LYS 50 HD2 LYS 50 -2.236 12.320 -15.028 361 HD3 LYS 50 HD3 LYS 50 -1.911 12.240 -13.296 362 HE2 LYS 50 HE2 LYS 50 -0.587 10.222 -13.624 363 HE3 LYS 50 HE3 LYS 50 -0.938 10.262 -15.352 364 HZ1 LYS 50 HZ1 LYS 50 0.262 12.305 -15.567 365 HZ2 LYS 50 HZ2 LYS 50 0.487 12.417 -13.888 366 HZ3 LYS 50 HZ3 LYS 50 1.259 11.189 -14.766 367 H ALA 51 H ALA 51 -4.440 9.104 -10.093 368 HA ALA 51 HA ALA 51 -2.902 6.838 -9.300 369 HB1 ALA 51 HB1 ALA 51 -3.614 7.409 -7.034 370 HB2 ALA 51 HB2 ALA 51 -3.077 8.843 -7.908 371 HB3 ALA 51 HB3 ALA 51 -4.801 8.543 -7.684 372 H GLY 52 H GLY 52 -6.198 7.338 -10.139 373 HA2 GLY 52 HA2 GLY 52 -7.580 5.415 -10.633 374 HA3 GLY 52 HA3 GLY 52 -6.825 4.588 -9.276 375 H LEU 53 H LEU 53 -7.169 7.511 -8.087 376 HA LEU 53 HA LEU 53 -9.351 7.002 -6.416 377 HB2 LEU 53 HB2 LEU 53 -7.499 8.588 -5.970 378 HB3 LEU 53 HB3 LEU 53 -8.160 9.659 -7.188 379 HG LEU 53 HG LEU 53 -10.301 9.634 -5.751 380 HD11 LEU 53 HD11 LEU 53 -9.724 7.796 -4.297 381 HD12 LEU 53 HD12 LEU 53 -8.278 8.650 -3.750 382 HD13 LEU 53 HD13 LEU 53 -9.877 9.283 -3.360 383 HD21 LEU 53 HD21 LEU 53 -9.399 11.431 -4.350 384 HD22 LEU 53 HD22 LEU 53 -7.769 10.957 -4.832 385 HD23 LEU 53 HD23 LEU 53 -8.904 11.565 -6.036 386 H LEU 54 H LEU 54 -11.490 7.158 -6.760 387 HA LEU 54 HA LEU 54 -12.363 8.511 -9.221 388 HB2 LEU 54 HB2 LEU 54 -13.661 6.287 -7.649 389 HB3 LEU 54 HB3 LEU 54 -14.356 7.039 -9.072 390 HG LEU 54 HG LEU 54 -11.752 5.513 -9.030 391 HD11 LEU 54 HD11 LEU 54 -13.004 3.795 -10.259 392 HD12 LEU 54 HD12 LEU 54 -13.616 4.025 -8.621 393 HD13 LEU 54 HD13 LEU 54 -14.490 4.706 -9.994 394 HD21 LEU 54 HD21 LEU 54 -13.382 6.620 -11.312 395 HD22 LEU 54 HD22 LEU 54 -11.827 7.233 -10.753 396 HD23 LEU 54 HD23 LEU 54 -11.935 5.625 -11.468 397 H ALA 55 H ALA 55 -14.367 9.642 -9.209 398 HA ALA 55 HA ALA 55 -14.788 11.196 -6.822 399 HB1 ALA 55 HB1 ALA 55 -16.498 12.354 -8.141 400 HB2 ALA 55 HB2 ALA 55 -14.976 12.229 -9.026 401 HB3 ALA 55 HB3 ALA 55 -16.319 11.155 -9.423 402 H GLY 56 H GLY 56 -15.745 10.206 -5.174 403 HA2 GLY 56 HA2 GLY 56 -18.035 9.577 -4.387 404 HA3 GLY 56 HA3 GLY 56 -18.055 8.453 -5.742 405 H ASP 57 H ASP 57 -14.973 8.397 -4.834 406 HA ASP 57 HA ASP 57 -15.133 5.883 -3.532 407 HB2 ASP 57 HB2 ASP 57 -13.016 7.667 -4.487 408 HB3 ASP 57 HB3 ASP 57 -12.584 6.805 -3.015 409 H ARG 58 H ARG 58 -14.862 5.325 -1.441 410 HA ARG 58 HA ARG 58 -15.117 7.466 0.532 411 HB2 ARG 58 HB2 ARG 58 -15.355 4.459 0.808 412 HB3 ARG 58 HB3 ARG 58 -15.594 5.611 2.117 413 HG2 ARG 58 HG2 ARG 58 -17.534 6.509 1.081 414 HG3 ARG 58 HG3 ARG 58 -17.226 5.612 -0.408 415 HD2 ARG 58 HD2 ARG 58 -18.999 4.591 0.954 416 HD3 ARG 58 HD3 ARG 58 -17.619 3.520 0.730 417 HE ARG 58 HE ARG 58 -18.007 5.078 3.211 418 HH11 ARG 58 HH11 ARG 58 -17.275 2.101 1.539 419 HH12 ARG 58 HH12 ARG 58 -17.073 1.164 2.990 420 HH21 ARG 58 HH21 ARG 58 -17.704 3.872 5.137 421 HH22 ARG 58 HH22 ARG 58 -17.291 2.190 5.042 422 H LEU 59 H LEU 59 -13.349 8.228 1.436 423 HA LEU 59 HA LEU 59 -10.850 6.812 1.272 424 HB2 LEU 59 HB2 LEU 59 -11.024 9.272 1.015 425 HB3 LEU 59 HB3 LEU 59 -11.536 9.393 2.688 426 HG LEU 59 HG LEU 59 -9.352 8.549 3.428 427 HD11 LEU 59 HD11 LEU 59 -7.530 8.294 1.816 428 HD12 LEU 59 HD12 LEU 59 -8.826 7.138 1.510 429 HD13 LEU 59 HD13 LEU 59 -8.663 8.570 0.492 430 HD21 LEU 59 HD21 LEU 59 -8.027 10.503 2.779 431 HD22 LEU 59 HD22 LEU 59 -9.183 10.858 1.496 432 HD23 LEU 59 HD23 LEU 59 -9.686 10.950 3.183 433 H VAL 60 H VAL 60 -10.762 5.059 2.548 434 HA VAL 60 HA VAL 60 -11.910 5.147 5.221 435 HB VAL 60 HB VAL 60 -11.293 2.696 5.265 436 HG11 VAL 60 HG11 VAL 60 -13.144 2.050 3.778 437 HG12 VAL 60 HG12 VAL 60 -13.554 3.453 4.766 438 HG13 VAL 60 HG13 VAL 60 -13.127 3.664 3.068 439 HG21 VAL 60 HG21 VAL 60 -10.678 3.226 2.357 440 HG22 VAL 60 HG22 VAL 60 -9.540 2.685 3.592 441 HG23 VAL 60 HG23 VAL 60 -10.858 1.628 3.085 442 H GLU 61 H GLU 61 -8.784 4.879 3.666 443 HA GLU 61 HA GLU 61 -7.512 5.165 6.302 444 HB2 GLU 61 HB2 GLU 61 -6.518 3.341 4.111 445 HB3 GLU 61 HB3 GLU 61 -5.786 3.582 5.688 446 HG2 GLU 61 HG2 GLU 61 -8.564 2.517 5.457 447 HG3 GLU 61 HG3 GLU 61 -7.173 1.459 5.231 448 H VAL 62 H VAL 62 -5.568 6.322 6.284 449 HA VAL 62 HA VAL 62 -4.653 7.336 3.671 450 HB VAL 62 HB VAL 62 -4.811 8.921 6.248 451 HG11 VAL 62 HG11 VAL 62 -3.825 10.769 4.985 452 HG12 VAL 62 HG12 VAL 62 -2.726 9.391 5.052 453 HG13 VAL 62 HG13 VAL 62 -3.642 9.719 3.581 454 HG21 VAL 62 HG21 VAL 62 -6.156 9.326 3.576 455 HG22 VAL 62 HG22 VAL 62 -6.937 8.796 5.065 456 HG23 VAL 62 HG23 VAL 62 -6.261 10.421 4.954 457 H ASN 63 H ASN 63 -2.747 6.464 3.300 458 HA ASN 63 HA ASN 63 -0.663 5.629 3.556 459 HB2 ASN 63 HB2 ASN 63 -0.659 7.696 5.749 460 HB3 ASN 63 HB3 ASN 63 0.767 6.742 5.356 461 HD21 ASN 63 HD21 ASN 63 0.308 9.630 5.144 462 HD22 ASN 63 HD22 ASN 63 0.617 10.025 3.488 463 H GLY 64 H GLY 64 -2.952 4.421 5.104 464 HA2 GLY 64 HA2 GLY 64 -2.757 2.182 5.890 465 HA3 GLY 64 HA3 GLY 64 -1.188 2.585 6.559 466 H GLU 65 H GLU 65 -3.211 5.084 7.412 467 HA GLU 65 HA GLU 65 -3.959 3.676 9.881 468 HB2 GLU 65 HB2 GLU 65 -3.861 5.873 11.025 469 HB3 GLU 65 HB3 GLU 65 -2.316 5.325 10.399 470 HG2 GLU 65 HG2 GLU 65 -2.740 6.815 8.409 471 HG3 GLU 65 HG3 GLU 65 -4.082 7.498 9.329 472 H ASN 66 H ASN 66 -5.931 3.872 10.711 473 HA ASN 66 HA ASN 66 -8.046 4.073 8.872 474 HB2 ASN 66 HB2 ASN 66 -7.923 2.629 10.949 475 HB3 ASN 66 HB3 ASN 66 -8.268 4.076 11.888 476 HD21 ASN 66 HD21 ASN 66 -9.600 3.098 8.771 477 HD22 ASN 66 HD22 ASN 66 -11.251 2.970 9.325 478 H VAL 67 H VAL 67 -8.997 5.863 8.109 479 HA VAL 67 HA VAL 67 -9.082 8.217 9.897 480 HB VAL 67 HB VAL 67 -9.105 9.654 7.941 481 HG11 VAL 67 HG11 VAL 67 -6.817 9.247 7.168 482 HG12 VAL 67 HG12 VAL 67 -6.967 9.066 8.916 483 HG13 VAL 67 HG13 VAL 67 -6.871 7.636 7.886 484 HG21 VAL 67 HG21 VAL 67 -8.712 8.746 5.694 485 HG22 VAL 67 HG22 VAL 67 -8.862 7.110 6.337 486 HG23 VAL 67 HG23 VAL 67 -10.249 8.199 6.364 487 H GLU 68 H GLU 68 -11.032 5.862 8.880 488 HA GLU 68 HA GLU 68 -13.286 7.050 7.759 489 HB2 GLU 68 HB2 GLU 68 -13.208 4.750 9.713 490 HB3 GLU 68 HB3 GLU 68 -14.554 5.153 8.659 491 HG2 GLU 68 HG2 GLU 68 -13.279 4.604 6.717 492 HG3 GLU 68 HG3 GLU 68 -11.817 4.385 7.681 493 H LYS 69 H LYS 69 -12.275 6.903 11.128 494 HA LYS 69 HA LYS 69 -14.864 8.025 11.949 495 HB2 LYS 69 HB2 LYS 69 -12.722 6.701 13.624 496 HB3 LYS 69 HB3 LYS 69 -14.250 7.315 14.235 497 HG2 LYS 69 HG2 LYS 69 -14.660 5.055 14.039 498 HG3 LYS 69 HG3 LYS 69 -15.308 5.691 12.526 499 HD2 LYS 69 HD2 LYS 69 -13.395 4.971 11.308 500 HD3 LYS 69 HD3 LYS 69 -12.517 4.587 12.789 501 HE2 LYS 69 HE2 LYS 69 -13.287 2.545 11.775 502 HE3 LYS 69 HE3 LYS 69 -14.177 2.820 13.269 503 HZ1 LYS 69 HZ1 LYS 69 -16.045 3.636 11.965 504 HZ2 LYS 69 HZ2 LYS 69 -15.187 3.378 10.525 505 HZ3 LYS 69 HZ3 LYS 69 -15.623 2.063 11.497 506 H GLU 70 H GLU 70 -12.266 9.291 10.869 507 HA GLU 70 HA GLU 70 -11.671 11.169 13.018 508 HB2 GLU 70 HB2 GLU 70 -10.584 11.030 10.200 509 HB3 GLU 70 HB3 GLU 70 -9.956 12.021 11.511 510 HG2 GLU 70 HG2 GLU 70 -10.019 9.018 11.473 511 HG3 GLU 70 HG3 GLU 70 -8.618 10.020 11.119 512 H THR 71 H THR 71 -11.861 13.487 12.667 513 HA THR 71 HA THR 71 -14.286 14.242 11.386 514 HB THR 71 HB THR 71 -13.761 16.516 11.996 515 HG1 THR 71 HG1 THR 71 -11.627 16.971 12.887 516 HG21 THR 71 HG21 THR 71 -14.434 15.072 13.856 517 HG22 THR 71 HG22 THR 71 -12.745 14.645 14.139 518 HG23 THR 71 HG23 THR 71 -13.288 16.303 14.392 519 H HIS 72 H HIS 72 -14.380 15.962 9.679 520 HA HIS 72 HA HIS 72 -13.051 15.227 7.354 521 HB2 HIS 72 HB2 HIS 72 -15.058 16.528 7.204 522 HB3 HIS 72 HB3 HIS 72 -14.355 17.839 8.143 523 HD1 HIS 72 HD1 HIS 72 -14.281 16.307 4.708 524 HD2 HIS 72 HD2 HIS 72 -12.864 19.675 6.692 525 HE1 HIS 72 HE1 HIS 72 -13.397 17.828 2.915 526 HE2 HIS 72 HE2 HIS 72 -12.420 19.801 4.140 527 H GLN 73 H GLN 73 -12.298 17.818 9.654 528 HA GLN 73 HA GLN 73 -10.107 18.866 8.219 529 HB2 GLN 73 HB2 GLN 73 -11.325 20.070 10.008 530 HB3 GLN 73 HB3 GLN 73 -10.620 18.983 11.195 531 HG2 GLN 73 HG2 GLN 73 -9.449 21.105 11.133 532 HG3 GLN 73 HG3 GLN 73 -8.397 19.784 10.631 533 HE21 GLN 73 HE21 GLN 73 -7.682 19.691 8.518 534 HE22 GLN 73 HE22 GLN 73 -7.844 21.017 7.422 535 H GLN 74 H GLN 74 -10.310 16.375 10.743 536 HA GLN 74 HA GLN 74 -7.537 16.103 11.146 537 HB2 GLN 74 HB2 GLN 74 -9.792 14.141 11.546 538 HB3 GLN 74 HB3 GLN 74 -8.127 13.791 11.985 539 HG2 GLN 74 HG2 GLN 74 -9.902 15.932 13.125 540 HG3 GLN 74 HG3 GLN 74 -9.290 14.495 13.941 541 HE21 GLN 74 HE21 GLN 74 -8.613 17.709 12.919 542 HE22 GLN 74 HE22 GLN 74 -7.058 17.854 13.669 543 H VAL 75 H VAL 75 -9.748 14.449 8.924 544 HA VAL 75 HA VAL 75 -7.857 12.622 7.901 545 HB VAL 75 HB VAL 75 -10.303 13.738 6.516 546 HG11 VAL 75 HG11 VAL 75 -8.744 12.652 4.973 547 HG12 VAL 75 HG12 VAL 75 -8.744 11.210 5.991 548 HG13 VAL 75 HG13 VAL 75 -10.221 11.707 5.167 549 HG21 VAL 75 HG21 VAL 75 -10.864 12.728 8.656 550 HG22 VAL 75 HG22 VAL 75 -11.415 11.705 7.330 551 HG23 VAL 75 HG23 VAL 75 -9.960 11.275 8.226 552 H VAL 76 H VAL 76 -8.945 15.783 6.682 553 HA VAL 76 HA VAL 76 -7.350 15.813 4.370 554 HB VAL 76 HB VAL 76 -8.331 18.187 5.975 555 HG11 VAL 76 HG11 VAL 76 -6.558 18.794 4.401 556 HG12 VAL 76 HG12 VAL 76 -7.454 18.019 3.093 557 HG13 VAL 76 HG13 VAL 76 -8.118 19.443 3.892 558 HG21 VAL 76 HG21 VAL 76 -10.195 18.225 4.385 559 HG22 VAL 76 HG22 VAL 76 -9.578 16.752 3.634 560 HG23 VAL 76 HG23 VAL 76 -10.152 16.717 5.301 561 H SER 77 H SER 77 -6.672 16.817 7.688 562 HA SER 77 HA SER 77 -4.214 18.086 7.245 563 HB2 SER 77 HB2 SER 77 -5.101 16.505 9.671 564 HB3 SER 77 HB3 SER 77 -3.760 17.651 9.626 565 HG SER 77 HG SER 77 -6.516 18.108 9.586 566 H ARG 78 H ARG 78 -4.987 14.670 7.758 567 HA ARG 78 HA ARG 78 -2.339 13.723 7.842 568 HB2 ARG 78 HB2 ARG 78 -4.917 12.387 7.032 569 HB3 ARG 78 HB3 ARG 78 -3.387 11.532 7.191 570 HG2 ARG 78 HG2 ARG 78 -3.275 12.209 9.543 571 HG3 ARG 78 HG3 ARG 78 -4.832 13.017 9.372 572 HD2 ARG 78 HD2 ARG 78 -5.991 11.034 9.151 573 HD3 ARG 78 HD3 ARG 78 -4.567 10.141 8.619 574 HE ARG 78 HE ARG 78 -3.888 9.899 10.839 575 HH11 ARG 78 HH11 ARG 78 -6.837 11.781 10.624 576 HH12 ARG 78 HH12 ARG 78 -7.291 11.503 12.281 577 HH21 ARG 78 HH21 ARG 78 -4.445 9.582 13.019 578 HH22 ARG 78 HH22 ARG 78 -5.918 10.259 13.647 579 H ILE 79 H ILE 79 -4.586 14.233 5.166 580 HA ILE 79 HA ILE 79 -2.962 13.073 3.159 581 HB ILE 79 HB ILE 79 -4.977 15.285 2.735 582 HG12 ILE 79 HG12 ILE 79 -5.477 12.301 2.824 583 HG13 ILE 79 HG13 ILE 79 -5.922 13.427 4.105 584 HG21 ILE 79 HG21 ILE 79 -3.581 14.736 0.805 585 HG22 ILE 79 HG22 ILE 79 -4.034 13.038 0.952 586 HG23 ILE 79 HG23 ILE 79 -5.252 14.244 0.536 587 HD11 ILE 79 HD11 ILE 79 -7.409 14.591 2.535 588 HD12 ILE 79 HD12 ILE 79 -6.988 13.416 1.287 589 HD13 ILE 79 HD13 ILE 79 -7.839 12.892 2.742 590 H ARG 80 H ARG 80 -3.152 16.271 4.570 591 HA ARG 80 HA ARG 80 -1.426 17.575 2.717 592 HB2 ARG 80 HB2 ARG 80 -2.227 18.274 5.542 593 HB3 ARG 80 HB3 ARG 80 -1.220 19.305 4.538 594 HG2 ARG 80 HG2 ARG 80 -3.048 19.458 2.901 595 HG3 ARG 80 HG3 ARG 80 -4.058 18.482 3.971 596 HD2 ARG 80 HD2 ARG 80 -4.544 20.854 4.247 597 HD3 ARG 80 HD3 ARG 80 -3.850 20.179 5.720 598 HE ARG 80 HE ARG 80 -1.669 21.163 4.534 599 HH11 ARG 80 HH11 ARG 80 -4.818 22.574 5.102 600 HH12 ARG 80 HH12 ARG 80 -4.239 24.212 5.096 601 HH21 ARG 80 HH21 ARG 80 -0.882 23.307 4.572 602 HH22 ARG 80 HH22 ARG 80 -1.984 24.629 4.826 603 H ALA 81 H ALA 81 -0.890 15.527 5.438 604 HA ALA 81 HA ALA 81 1.656 16.513 6.223 605 HB1 ALA 81 HB1 ALA 81 0.402 13.814 6.700 606 HB2 ALA 81 HB2 ALA 81 1.824 14.449 7.528 607 HB3 ALA 81 HB3 ALA 81 0.258 15.232 7.740 608 H ALA 82 H ALA 82 0.677 14.719 3.546 609 HA ALA 82 HA ALA 82 3.138 13.280 3.152 610 HB1 ALA 82 HB1 ALA 82 2.204 12.681 0.986 611 HB2 ALA 82 HB2 ALA 82 1.022 12.424 2.269 612 HB3 ALA 82 HB3 ALA 82 0.891 13.835 1.221 613 H LEU 83 H LEU 83 4.949 14.276 2.632 614 HA LEU 83 HA LEU 83 5.096 16.946 1.759 615 HB2 LEU 83 HB2 LEU 83 7.135 14.734 1.820 616 HB3 LEU 83 HB3 LEU 83 7.523 16.355 1.285 617 HG LEU 83 HG LEU 83 8.239 16.150 3.534 618 HD11 LEU 83 HD11 LEU 83 7.298 18.288 3.041 619 HD12 LEU 83 HD12 LEU 83 5.671 17.705 3.386 620 HD13 LEU 83 HD13 LEU 83 6.854 17.845 4.689 621 HD21 LEU 83 HD21 LEU 83 6.933 14.229 4.211 622 HD22 LEU 83 HD22 LEU 83 6.757 15.540 5.377 623 HD23 LEU 83 HD23 LEU 83 5.466 15.208 4.222 624 H ASN 84 H ASN 84 5.198 13.894 -0.010 625 HA ASN 84 HA ASN 84 5.022 15.471 -2.484 626 HB2 ASN 84 HB2 ASN 84 7.323 14.646 -2.326 627 HB3 ASN 84 HB3 ASN 84 6.728 13.000 -2.126 628 HD21 ASN 84 HD21 ASN 84 6.039 11.861 -3.906 629 HD22 ASN 84 HD22 ASN 84 6.213 12.439 -5.525 630 H ALA 85 H ALA 85 4.842 12.104 -1.321 631 HA ALA 85 HA ALA 85 2.459 11.784 -3.024 632 HB1 ALA 85 HB1 ALA 85 4.564 9.721 -2.378 633 HB2 ALA 85 HB2 ALA 85 3.105 9.441 -3.332 634 HB3 ALA 85 HB3 ALA 85 4.348 10.543 -3.925 635 H VAL 86 H VAL 86 0.711 10.781 -2.187 636 HA VAL 86 HA VAL 86 0.891 9.788 0.578 637 HB VAL 86 HB VAL 86 -0.152 12.013 0.611 638 HG11 VAL 86 HG11 VAL 86 -2.304 12.429 -0.457 639 HG12 VAL 86 HG12 VAL 86 -1.064 12.047 -1.654 640 HG13 VAL 86 HG13 VAL 86 -2.254 10.828 -1.196 641 HG21 VAL 86 HG21 VAL 86 -2.202 11.423 1.806 642 HG22 VAL 86 HG22 VAL 86 -2.118 9.790 1.145 643 HG23 VAL 86 HG23 VAL 86 -0.867 10.360 2.251 644 H ARG 87 H ARG 87 -0.154 7.890 0.961 645 HA ARG 87 HA ARG 87 -1.372 6.608 -1.373 646 HB2 ARG 87 HB2 ARG 87 -0.523 5.437 1.284 647 HB3 ARG 87 HB3 ARG 87 -1.124 4.519 -0.091 648 HG2 ARG 87 HG2 ARG 87 0.807 5.220 -1.408 649 HG3 ARG 87 HG3 ARG 87 1.403 6.156 -0.038 650 HD2 ARG 87 HD2 ARG 87 1.508 4.063 1.284 651 HD3 ARG 87 HD3 ARG 87 1.035 3.165 -0.159 652 HE ARG 87 HE ARG 87 3.194 4.533 -1.011 653 HH11 ARG 87 HH11 ARG 87 2.632 2.393 1.715 654 HH12 ARG 87 HH12 ARG 87 4.314 1.975 1.872 655 HH21 ARG 87 HH21 ARG 87 5.387 3.947 -0.793 656 HH22 ARG 87 HH22 ARG 87 5.861 2.839 0.458 657 H LEU 88 H LEU 88 -3.472 6.948 -1.551 658 HA LEU 88 HA LEU 88 -5.105 7.153 0.879 659 HB2 LEU 88 HB2 LEU 88 -5.834 7.826 -1.976 660 HB3 LEU 88 HB3 LEU 88 -6.826 8.116 -0.562 661 HG LEU 88 HG LEU 88 -4.247 9.503 -1.290 662 HD11 LEU 88 HD11 LEU 88 -7.081 10.477 -0.981 663 HD12 LEU 88 HD12 LEU 88 -5.680 11.489 -1.325 664 HD13 LEU 88 HD13 LEU 88 -6.201 10.276 -2.495 665 HD21 LEU 88 HD21 LEU 88 -4.558 10.813 0.755 666 HD22 LEU 88 HD22 LEU 88 -5.934 9.802 1.199 667 HD23 LEU 88 HD23 LEU 88 -4.315 9.105 1.126 668 H LEU 89 H LEU 89 -6.220 5.409 1.482 669 HA LEU 89 HA LEU 89 -6.727 3.334 -0.514 670 HB2 LEU 89 HB2 LEU 89 -5.759 2.757 1.743 671 HB3 LEU 89 HB3 LEU 89 -7.305 3.216 2.441 672 HG LEU 89 HG LEU 89 -8.385 1.484 0.977 673 HD11 LEU 89 HD11 LEU 89 -5.532 0.636 0.513 674 HD12 LEU 89 HD12 LEU 89 -6.976 -0.249 0.018 675 HD13 LEU 89 HD13 LEU 89 -6.615 1.321 -0.699 676 HD21 LEU 89 HD21 LEU 89 -7.739 -0.379 2.378 677 HD22 LEU 89 HD22 LEU 89 -6.303 0.496 2.909 678 HD23 LEU 89 HD23 LEU 89 -7.907 1.093 3.331 679 H VAL 90 H VAL 90 -8.641 3.126 -1.429 680 HA VAL 90 HA VAL 90 -10.936 4.465 -0.190 681 HB VAL 90 HB VAL 90 -11.563 5.331 -2.508 682 HG11 VAL 90 HG11 VAL 90 -10.851 6.799 -0.711 683 HG12 VAL 90 HG12 VAL 90 -9.160 6.488 -1.098 684 HG13 VAL 90 HG13 VAL 90 -10.183 7.347 -2.249 685 HG21 VAL 90 HG21 VAL 90 -9.983 4.061 -3.848 686 HG22 VAL 90 HG22 VAL 90 -9.664 5.788 -4.029 687 HG23 VAL 90 HG23 VAL 90 -8.628 4.802 -2.997 688 H VAL 91 H VAL 91 -12.978 3.779 -0.926 689 HA VAL 91 HA VAL 91 -13.129 1.451 -2.649 690 HB VAL 91 HB VAL 91 -12.628 0.492 -0.443 691 HG11 VAL 91 HG11 VAL 91 -13.523 2.255 0.975 692 HG12 VAL 91 HG12 VAL 91 -15.164 1.833 0.482 693 HG13 VAL 91 HG13 VAL 91 -14.202 0.687 1.415 694 HG21 VAL 91 HG21 VAL 91 -14.490 -1.073 -0.292 695 HG22 VAL 91 HG22 VAL 91 -15.479 -0.003 -1.287 696 HG23 VAL 91 HG23 VAL 91 -14.045 -0.768 -1.970 697 H ASP 92 H ASP 92 -15.045 1.394 -3.742 698 HA ASP 92 HA ASP 92 -16.924 3.489 -3.574 699 HB2 ASP 92 HB2 ASP 92 -17.098 0.761 -4.855 700 HB3 ASP 92 HB3 ASP 92 -18.384 1.951 -4.975 701 HA PRO 93 HA PRO 93 -19.748 2.186 -0.345 702 HB2 PRO 93 HB2 PRO 93 -21.868 3.133 -2.195 703 HB3 PRO 93 HB3 PRO 93 -21.532 3.616 -0.528 704 HG2 PRO 93 HG2 PRO 93 -20.951 5.238 -2.565 705 HG3 PRO 93 HG3 PRO 93 -19.886 5.122 -1.152 706 HD2 PRO 93 HD2 PRO 93 -19.567 3.923 -3.875 707 HD3 PRO 93 HD3 PRO 93 -18.342 4.637 -2.806 708 H GLU 94 H GLU 94 -20.550 1.569 -3.732 709 HA GLU 94 HA GLU 94 -22.282 -0.613 -3.408 710 HB2 GLU 94 HB2 GLU 94 -20.312 -0.131 -5.652 711 HB3 GLU 94 HB3 GLU 94 -21.766 -1.115 -5.737 712 HG2 GLU 94 HG2 GLU 94 -23.171 0.751 -5.674 713 HG3 GLU 94 HG3 GLU 94 -21.885 1.810 -5.094 714 H THR 95 H THR 95 -18.788 -0.407 -3.726 715 HA THR 95 HA THR 95 -18.246 -3.169 -3.822 716 HB THR 95 HB THR 95 -16.470 -0.894 -2.910 717 HG1 THR 95 HG1 THR 95 -15.861 -1.672 -5.351 718 HG21 THR 95 HG21 THR 95 -14.620 -2.351 -3.571 719 HG22 THR 95 HG22 THR 95 -15.581 -3.080 -2.283 720 HG23 THR 95 HG23 THR 95 -15.766 -3.639 -3.946 721 H ASP 96 H ASP 96 -18.511 -0.857 -1.171 722 HA ASP 96 HA ASP 96 -17.347 -2.379 0.868 723 HB2 ASP 96 HB2 ASP 96 -17.940 0.055 0.992 724 HB3 ASP 96 HB3 ASP 96 -19.624 -0.414 1.189 725 H GLU 97 H GLU 97 -20.671 -2.264 -0.304 726 HA GLU 97 HA GLU 97 -21.836 -3.874 1.673 727 HB2 GLU 97 HB2 GLU 97 -22.626 -3.432 -1.209 728 HB3 GLU 97 HB3 GLU 97 -23.626 -4.276 -0.033 729 HG2 GLU 97 HG2 GLU 97 -23.676 -2.248 1.356 730 HG3 GLU 97 HG3 GLU 97 -22.730 -1.404 0.128 731 H GLN 98 H GLN 98 -20.188 -4.727 -1.331 732 HA GLN 98 HA GLN 98 -20.785 -7.515 -1.192 733 HB2 GLN 98 HB2 GLN 98 -20.128 -6.539 -3.304 734 HB3 GLN 98 HB3 GLN 98 -18.609 -5.980 -2.624 735 HG2 GLN 98 HG2 GLN 98 -18.256 -7.904 -4.034 736 HG3 GLN 98 HG3 GLN 98 -17.871 -8.294 -2.361 737 HE21 GLN 98 HE21 GLN 98 -19.167 -9.752 -1.249 738 HE22 GLN 98 HE22 GLN 98 -20.301 -10.777 -2.058 739 H LEU 99 H LEU 99 -18.138 -5.471 -0.145 740 HA LEU 99 HA LEU 99 -16.395 -7.473 0.786 741 HB2 LEU 99 HB2 LEU 99 -16.722 -4.544 1.301 742 HB3 LEU 99 HB3 LEU 99 -15.597 -5.471 2.271 743 HG LEU 99 HG LEU 99 -14.832 -4.209 0.077 744 HD11 LEU 99 HD11 LEU 99 -13.389 -5.471 1.590 745 HD12 LEU 99 HD12 LEU 99 -13.896 -6.978 0.824 746 HD13 LEU 99 HD13 LEU 99 -12.975 -5.789 -0.095 747 HD21 LEU 99 HD21 LEU 99 -15.650 -6.912 -0.991 748 HD22 LEU 99 HD22 LEU 99 -16.377 -5.367 -1.432 749 HD23 LEU 99 HD23 LEU 99 -14.695 -5.699 -1.846 750 H GLN 100 H GLN 100 -19.175 -5.932 2.282 751 HA GLN 100 HA GLN 100 -18.787 -6.731 4.927 752 HB2 GLN 100 HB2 GLN 100 -21.374 -6.541 3.375 753 HB3 GLN 100 HB3 GLN 100 -21.260 -6.678 5.123 754 HG2 GLN 100 HG2 GLN 100 -20.204 -4.409 3.452 755 HG3 GLN 100 HG3 GLN 100 -21.655 -4.385 4.449 756 HE21 GLN 100 HE21 GLN 100 -18.191 -4.321 4.426 757 HE22 GLN 100 HE22 GLN 100 -17.972 -3.903 6.093 758 H LYS 101 H LYS 101 -19.964 -8.537 2.142 759 HA LYS 101 HA LYS 101 -20.690 -10.903 3.528 760 HB2 LYS 101 HB2 LYS 101 -19.781 -10.535 0.665 761 HB3 LYS 101 HB3 LYS 101 -20.518 -11.996 1.306 762 HG2 LYS 101 HG2 LYS 101 -21.847 -9.295 1.193 763 HG3 LYS 101 HG3 LYS 101 -22.095 -10.601 0.032 764 HD2 LYS 101 HD2 LYS 101 -22.900 -12.035 1.878 765 HD3 LYS 101 HD3 LYS 101 -22.726 -10.667 2.981 766 HE2 LYS 101 HE2 LYS 101 -25.033 -10.873 2.272 767 HE3 LYS 101 HE3 LYS 101 -24.332 -9.393 1.622 768 HZ1 LYS 101 HZ1 LYS 101 -24.714 -11.939 0.133 769 HZ2 LYS 101 HZ2 LYS 101 -25.646 -10.534 -0.043 770 HZ3 LYS 101 HZ3 LYS 101 -24.013 -10.530 -0.501 771 H LEU 102 H LEU 102 -17.696 -9.725 2.117 772 HA LEU 102 HA LEU 102 -16.127 -12.037 2.523 773 HB2 LEU 102 HB2 LEU 102 -15.479 -9.115 2.241 774 HB3 LEU 102 HB3 LEU 102 -14.220 -10.279 2.602 775 HG LEU 102 HG LEU 102 -14.846 -11.482 0.524 776 HD11 LEU 102 HD11 LEU 102 -17.119 -10.635 0.263 777 HD12 LEU 102 HD12 LEU 102 -16.464 -9.038 -0.091 778 HD13 LEU 102 HD13 LEU 102 -16.144 -10.383 -1.183 779 HD21 LEU 102 HD21 LEU 102 -12.926 -10.033 0.573 780 HD22 LEU 102 HD22 LEU 102 -13.741 -9.890 -0.984 781 HD23 LEU 102 HD23 LEU 102 -13.947 -8.634 0.236 782 H GLY 103 H GLY 103 -16.184 -9.017 4.353 783 HA2 GLY 103 HA2 GLY 103 -16.537 -8.805 6.672 784 HA3 GLY 103 HA3 GLY 103 -16.239 -10.527 6.856 785 H VAL 104 H VAL 104 -13.821 -10.837 5.683 786 HA VAL 104 HA VAL 104 -12.080 -10.034 7.751 787 HB VAL 104 HB VAL 104 -11.765 -12.118 6.513 788 HG11 VAL 104 HG11 VAL 104 -12.460 -11.365 4.302 789 HG12 VAL 104 HG12 VAL 104 -11.000 -10.385 4.170 790 HG13 VAL 104 HG13 VAL 104 -10.877 -12.141 4.244 791 HG21 VAL 104 HG21 VAL 104 -9.433 -10.231 6.208 792 HG22 VAL 104 HG22 VAL 104 -9.838 -11.170 7.645 793 HG23 VAL 104 HG23 VAL 104 -9.342 -11.994 6.166 794 H GLN 105 H GLN 105 -10.481 -8.502 7.840 795 HA GLN 105 HA GLN 105 -10.808 -6.168 6.244 796 HB2 GLN 105 HB2 GLN 105 -8.795 -6.944 8.346 797 HB3 GLN 105 HB3 GLN 105 -8.723 -5.407 7.497 798 HG2 GLN 105 HG2 GLN 105 -11.039 -6.378 9.153 799 HG3 GLN 105 HG3 GLN 105 -9.815 -5.221 9.675 800 HE21 GLN 105 HE21 GLN 105 -12.710 -4.910 9.422 801 HE22 GLN 105 HE22 GLN 105 -12.948 -3.578 8.350 802 H VAL 106 H VAL 106 -10.419 -6.734 4.139 803 HA VAL 106 HA VAL 106 -7.886 -7.822 3.310 804 HB VAL 106 HB VAL 106 -8.701 -7.405 1.016 805 HG11 VAL 106 HG11 VAL 106 -10.741 -8.726 2.802 806 HG12 VAL 106 HG12 VAL 106 -10.576 -8.959 1.060 807 HG13 VAL 106 HG13 VAL 106 -9.290 -9.486 2.146 808 HG21 VAL 106 HG21 VAL 106 -9.938 -5.355 1.401 809 HG22 VAL 106 HG22 VAL 106 -10.991 -6.572 0.682 810 HG23 VAL 106 HG23 VAL 106 -11.099 -6.219 2.405 811 H ARG 107 H ARG 107 -8.751 -4.848 4.403 812 HA ARG 107 HA ARG 107 -7.817 -3.136 2.359 813 HB2 ARG 107 HB2 ARG 107 -8.116 -2.480 5.289 814 HB3 ARG 107 HB3 ARG 107 -8.089 -1.341 3.949 815 HG2 ARG 107 HG2 ARG 107 -10.143 -2.798 3.140 816 HG3 ARG 107 HG3 ARG 107 -10.256 -3.154 4.862 817 HD2 ARG 107 HD2 ARG 107 -10.277 -0.418 3.595 818 HD3 ARG 107 HD3 ARG 107 -11.668 -1.263 4.262 819 HE ARG 107 HE ARG 107 -9.410 -0.648 6.032 820 HH11 ARG 107 HH11 ARG 107 -12.772 -0.148 5.119 821 HH12 ARG 107 HH12 ARG 107 -13.128 0.856 6.494 822 HH21 ARG 107 HH21 ARG 107 -9.886 0.686 7.827 823 HH22 ARG 107 HH22 ARG 107 -11.506 1.295 8.044 824 H GLU 108 H GLU 108 -6.158 -4.903 4.803 825 HA GLU 108 HA GLU 108 -3.682 -3.577 3.931 826 HB2 GLU 108 HB2 GLU 108 -4.339 -4.578 6.701 827 HB3 GLU 108 HB3 GLU 108 -2.714 -4.168 6.176 828 HG2 GLU 108 HG2 GLU 108 -3.529 -1.867 5.681 829 HG3 GLU 108 HG3 GLU 108 -5.069 -2.315 6.418 830 H GLU 109 H GLU 109 -4.831 -6.516 5.585 831 HA GLU 109 HA GLU 109 -2.612 -8.099 5.121 832 HB2 GLU 109 HB2 GLU 109 -4.355 -8.686 6.703 833 HB3 GLU 109 HB3 GLU 109 -5.510 -8.894 5.395 834 HG2 GLU 109 HG2 GLU 109 -4.292 -10.801 4.567 835 HG3 GLU 109 HG3 GLU 109 -3.042 -10.567 5.789 836 H LEU 110 H LEU 110 -5.545 -7.869 3.104 837 HA LEU 110 HA LEU 110 -4.517 -9.738 1.186 838 HB2 LEU 110 HB2 LEU 110 -6.948 -9.393 1.665 839 HB3 LEU 110 HB3 LEU 110 -6.833 -7.817 0.917 840 HG LEU 110 HG LEU 110 -7.838 -9.704 -0.467 841 HD11 LEU 110 HD11 LEU 110 -5.512 -8.167 -1.607 842 HD12 LEU 110 HD12 LEU 110 -6.799 -8.933 -2.539 843 HD13 LEU 110 HD13 LEU 110 -7.174 -7.591 -1.456 844 HD21 LEU 110 HD21 LEU 110 -4.939 -10.502 -0.678 845 HD22 LEU 110 HD22 LEU 110 -6.215 -11.430 0.107 846 HD23 LEU 110 HD23 LEU 110 -6.267 -11.157 -1.635 847 H LEU 111 H LEU 111 -4.671 -6.266 1.543 848 HA LEU 111 HA LEU 111 -3.999 -5.512 -1.073 849 HB2 LEU 111 HB2 LEU 111 -4.938 -3.992 0.617 850 HB3 LEU 111 HB3 LEU 111 -3.451 -4.096 1.539 851 HG LEU 111 HG LEU 111 -2.250 -3.044 -0.376 852 HD11 LEU 111 HD11 LEU 111 -5.039 -2.662 -1.453 853 HD12 LEU 111 HD12 LEU 111 -3.576 -1.908 -2.090 854 HD13 LEU 111 HD13 LEU 111 -3.769 -3.659 -2.164 855 HD21 LEU 111 HD21 LEU 111 -3.124 -0.790 0.041 856 HD22 LEU 111 HD22 LEU 111 -4.552 -1.494 0.798 857 HD23 LEU 111 HD23 LEU 111 -2.965 -1.723 1.529 858 H ARG 112 H ARG 112 -2.024 -6.441 1.683 859 HA ARG 112 HA ARG 112 0.420 -5.661 0.325 860 HB2 ARG 112 HB2 ARG 112 -0.101 -6.824 3.059 861 HB3 ARG 112 HB3 ARG 112 1.513 -6.489 2.444 862 HG2 ARG 112 HG2 ARG 112 -0.657 -4.422 2.738 863 HG3 ARG 112 HG3 ARG 112 0.613 -4.719 3.928 864 HD2 ARG 112 HD2 ARG 112 1.074 -3.921 1.057 865 HD3 ARG 112 HD3 ARG 112 1.126 -2.822 2.435 866 HE ARG 112 HE ARG 112 3.023 -4.164 3.269 867 HH11 ARG 112 HH11 ARG 112 2.192 -4.276 -0.133 868 HH12 ARG 112 HH12 ARG 112 3.776 -4.784 -0.643 869 HH21 ARG 112 HH21 ARG 112 5.114 -4.814 2.618 870 HH22 ARG 112 HH22 ARG 112 5.436 -5.130 0.935 871 H ALA 113 H ALA 113 -1.426 -7.995 -0.352 872 HA ALA 113 HA ALA 113 -1.250 -10.038 -1.320 873 HB1 ALA 113 HB1 ALA 113 0.903 -10.739 -2.220 874 HB2 ALA 113 HB2 ALA 113 0.602 -9.034 -2.550 875 HB3 ALA 113 HB3 ALA 113 1.717 -9.499 -1.266 876 H GLN 114 H GLN 114 -0.101 -12.273 -1.049 877 HA GLN 114 HA GLN 114 -0.035 -12.782 1.838 878 HB2 GLN 114 HB2 GLN 114 -0.641 -14.696 -0.420 879 HB3 GLN 114 HB3 GLN 114 -0.700 -15.077 1.295 880 HG2 GLN 114 HG2 GLN 114 -2.877 -14.685 1.002 881 HG3 GLN 114 HG3 GLN 114 -2.390 -13.014 1.255 882 HE21 GLN 114 HE21 GLN 114 -4.667 -14.051 -0.197 883 HE22 GLN 114 HE22 GLN 114 -4.520 -13.470 -1.821 884 H GLU 115 H GLU 115 1.266 -14.613 2.536 885 HA GLU 115 HA GLU 115 3.777 -14.806 1.017 886 HB2 GLU 115 HB2 GLU 115 4.807 -15.425 3.236 887 HB3 GLU 115 HB3 GLU 115 4.255 -13.763 3.100 888 HG2 GLU 115 HG2 GLU 115 2.290 -14.255 4.397 889 HG3 GLU 115 HG3 GLU 115 2.702 -15.968 4.431 890 H ALA 116 H ALA 116 4.568 -16.780 0.520 891 HA ALA 116 HA ALA 116 4.402 -18.943 -0.152 892 HB1 ALA 116 HB1 ALA 116 3.276 -19.328 2.624 893 HB2 ALA 116 HB2 ALA 116 3.882 -20.605 1.569 894 HB3 ALA 116 HB3 ALA 116 4.981 -19.369 2.176 895 HA PRO 117 HA PRO 117 -0.150 -18.414 -0.946 896 HB2 PRO 117 HB2 PRO 117 0.368 -17.706 -3.671 897 HB3 PRO 117 HB3 PRO 117 -0.256 -16.676 -2.382 898 HG2 PRO 117 HG2 PRO 117 2.218 -16.378 -3.581 899 HG3 PRO 117 HG3 PRO 117 1.785 -15.750 -1.981 900 HD2 PRO 117 HD2 PRO 117 3.306 -18.224 -2.703 901 HD3 PRO 117 HD3 PRO 117 3.566 -17.087 -1.362 902 H GLY 118 H GLY 118 2.076 -20.574 -1.595 903 HA2 GLY 118 HA2 GLY 118 0.591 -22.021 -3.672 904 HA3 GLY 118 HA3 GLY 118 2.200 -22.424 -3.083 905 H GLN 119 H GLN 119 -0.404 -21.647 -0.920 906 HA GLN 119 HA GLN 119 -0.314 -24.357 0.157 907 HB2 GLN 119 HB2 GLN 119 -1.588 -21.825 1.211 908 HB3 GLN 119 HB3 GLN 119 -1.645 -23.382 2.027 909 HG2 GLN 119 HG2 GLN 119 0.862 -21.842 1.390 910 HG3 GLN 119 HG3 GLN 119 0.061 -21.894 2.959 911 HE21 GLN 119 HE21 GLN 119 2.000 -23.627 0.667 912 HE22 GLN 119 HE22 GLN 119 2.451 -24.920 1.720 913 H ALA 120 H ALA 120 -1.449 -25.277 -1.653 914 HA ALA 120 HA ALA 120 -4.252 -25.491 -1.130 915 HB1 ALA 120 HB1 ALA 120 -3.432 -24.337 -3.797 916 HB2 ALA 120 HB2 ALA 120 -5.066 -24.797 -3.316 917 HB3 ALA 120 HB3 ALA 120 -4.255 -23.456 -2.509 918 H1 GLN 1 HT1 GLN 1 -15.373 23.021 5.038 919 H2 GLN 1 HT2 GLN 1 -15.853 21.689 5.976 920 H3 GLN 1 HT3 GLN 1 -16.577 23.199 6.220 921 HA GLN 1 HA GLN 1 -18.013 21.692 4.991 922 HB2 GLN 1 HB2 GLN 1 -16.958 24.097 3.494 923 HB3 GLN 1 HB3 GLN 1 -18.417 23.225 3.032 924 HG2 GLN 1 HG2 GLN 1 -17.974 24.587 5.679 925 HG3 GLN 1 HG3 GLN 1 -18.875 25.263 4.324 926 HE21 GLN 1 HE21 GLN 1 -20.033 22.686 3.583 927 HE22 GLN 1 HE22 GLN 1 -21.245 22.347 4.781 928 H ASP 2 H ASP 2 -15.662 22.878 2.607 929 HA ASP 2 HA ASP 2 -15.273 20.153 1.613 930 HB2 ASP 2 HB2 ASP 2 -17.235 21.409 0.447 931 HB3 ASP 2 HB3 ASP 2 -15.966 22.367 -0.309 932 H THR 3 H THR 3 -13.234 19.872 0.656 933 HA THR 3 HA THR 3 -11.497 22.254 0.721 934 HB THR 3 HB THR 3 -10.679 19.577 1.855 935 HG1 THR 3 HG1 THR 3 -11.692 21.891 3.212 936 HG21 THR 3 HG21 THR 3 -8.898 20.882 2.906 937 HG22 THR 3 HG22 THR 3 -8.857 21.060 1.152 938 HG23 THR 3 HG23 THR 3 -9.521 22.350 2.154 939 H ARG 4 H ARG 4 -9.998 22.383 -0.882 940 HA ARG 4 HA ARG 4 -9.891 20.226 -2.850 941 HB2 ARG 4 HB2 ARG 4 -10.133 22.613 -3.575 942 HB3 ARG 4 HB3 ARG 4 -8.530 22.930 -2.920 943 HG2 ARG 4 HG2 ARG 4 -7.593 21.268 -4.482 944 HG3 ARG 4 HG3 ARG 4 -9.202 21.047 -5.175 945 HD2 ARG 4 HD2 ARG 4 -9.198 23.527 -5.652 946 HD3 ARG 4 HD3 ARG 4 -7.493 23.527 -5.206 947 HE ARG 4 HE ARG 4 -7.944 21.540 -7.147 948 HH11 ARG 4 HH11 ARG 4 -7.724 25.025 -6.831 949 HH12 ARG 4 HH12 ARG 4 -7.368 25.279 -8.513 950 HH21 ARG 4 HH21 ARG 4 -7.468 21.861 -9.345 951 HH22 ARG 4 HH22 ARG 4 -7.213 23.485 -9.943 952 H LEU 5 H LEU 5 -8.377 18.730 -2.764 953 HA LEU 5 HA LEU 5 -6.109 19.122 -0.960 954 HB2 LEU 5 HB2 LEU 5 -7.619 16.788 -1.986 955 HB3 LEU 5 HB3 LEU 5 -5.925 16.543 -1.650 956 HG LEU 5 HG LEU 5 -7.221 15.862 0.263 957 HD11 LEU 5 HD11 LEU 5 -6.223 17.265 1.989 958 HD12 LEU 5 HD12 LEU 5 -5.073 16.913 0.699 959 HD13 LEU 5 HD13 LEU 5 -5.849 18.494 0.780 960 HD21 LEU 5 HD21 LEU 5 -9.229 17.164 -0.133 961 HD22 LEU 5 HD22 LEU 5 -8.624 17.451 1.499 962 HD23 LEU 5 HD23 LEU 5 -8.359 18.653 0.236 Start of MODEL 9 1 H1 GLY 4 HT1 GLY 4 -22.209 -21.843 -1.916 2 H2 GLY 4 HT2 GLY 4 -23.559 -21.299 -1.045 3 H3 GLY 4 HT3 GLY 4 -22.047 -21.388 -0.291 4 HA2 GLY 4 HA3 GLY 4 -22.681 -19.605 -2.577 5 HA3 GLY 4 HA2 GLY 4 -22.686 -19.100 -0.892 6 H ILE 5 H ILE 5 -21.058 -18.049 -3.002 7 HA ILE 5 HA ILE 5 -18.555 -18.194 -1.605 8 HB ILE 5 HB ILE 5 -18.256 -20.096 -3.067 9 HG12 ILE 5 HG12 ILE 5 -16.366 -18.379 -2.640 10 HG13 ILE 5 HG13 ILE 5 -16.124 -19.616 -3.863 11 HG21 ILE 5 HG21 ILE 5 -18.218 -19.869 -5.522 12 HG22 ILE 5 HG22 ILE 5 -19.817 -19.604 -4.823 13 HG23 ILE 5 HG23 ILE 5 -18.845 -18.230 -5.351 14 HD11 ILE 5 HD11 ILE 5 -16.880 -16.745 -4.363 15 HD12 ILE 5 HD12 ILE 5 -15.298 -17.478 -4.627 16 HD13 ILE 5 HD13 ILE 5 -16.677 -17.981 -5.604 17 H ASP 6 H ASP 6 -17.961 -16.214 -1.400 18 HA ASP 6 HA ASP 6 -18.600 -14.275 -3.524 19 HB2 ASP 6 HB2 ASP 6 -18.147 -13.821 -0.568 20 HB3 ASP 6 HB3 ASP 6 -18.359 -12.536 -1.748 21 HA PRO 7 HA PRO 7 -14.175 -14.046 -3.924 22 HB2 PRO 7 HB2 PRO 7 -14.115 -12.503 -6.106 23 HB3 PRO 7 HB3 PRO 7 -14.678 -14.177 -6.190 24 HG2 PRO 7 HG2 PRO 7 -16.251 -11.644 -6.161 25 HG3 PRO 7 HG3 PRO 7 -16.544 -13.136 -7.069 26 HD2 PRO 7 HD2 PRO 7 -17.808 -12.411 -4.695 27 HD3 PRO 7 HD3 PRO 7 -17.744 -14.051 -5.364 28 H PHE 8 H PHE 8 -12.531 -12.362 -3.865 29 HA PHE 8 HA PHE 8 -13.159 -10.156 -2.189 30 HB2 PHE 8 HB2 PHE 8 -10.688 -10.664 -3.873 31 HB3 PHE 8 HB3 PHE 8 -10.823 -9.454 -2.604 32 HD1 PHE 8 HD1 PHE 8 -10.958 -10.135 -0.252 33 HD2 PHE 8 HD2 PHE 8 -10.332 -12.969 -3.362 34 HE1 PHE 8 HE1 PHE 8 -10.192 -11.785 1.407 35 HE2 PHE 8 HE2 PHE 8 -9.567 -14.621 -1.710 36 HZ PHE 8 HZ PHE 8 -9.495 -14.030 0.678 37 H THR 9 H THR 9 -14.483 -8.616 -2.961 38 HA THR 9 HA THR 9 -14.409 -7.984 -5.802 39 HB THR 9 HB THR 9 -16.525 -6.724 -5.298 40 HG1 THR 9 HG1 THR 9 -17.096 -7.842 -2.952 41 HG21 THR 9 HG21 THR 9 -16.463 -9.593 -4.389 42 HG22 THR 9 HG22 THR 9 -17.906 -8.700 -4.865 43 HG23 THR 9 HG23 THR 9 -16.645 -9.037 -6.053 44 H MET 10 H MET 10 -14.383 -5.879 -6.599 45 HA MET 10 HA MET 10 -13.731 -3.718 -6.815 46 HB2 MET 10 HB2 MET 10 -15.106 -3.367 -4.727 47 HB3 MET 10 HB3 MET 10 -13.621 -3.535 -3.803 48 HG2 MET 10 HG2 MET 10 -13.945 -1.485 -5.968 49 HG3 MET 10 HG3 MET 10 -14.430 -1.186 -4.304 50 HE1 MET 10 HE1 MET 10 -12.819 0.978 -4.397 51 HE2 MET 10 HE2 MET 10 -11.106 0.888 -4.804 52 HE3 MET 10 HE3 MET 10 -12.323 0.553 -6.036 53 H LEU 11 H LEU 11 -12.035 -5.365 -4.196 54 HA LEU 11 HA LEU 11 -9.856 -5.612 -3.669 55 HB2 LEU 11 HB2 LEU 11 -9.429 -4.951 -6.585 56 HB3 LEU 11 HB3 LEU 11 -8.177 -5.523 -5.503 57 HG LEU 11 HG LEU 11 -8.835 -7.396 -6.765 58 HD11 LEU 11 HD11 LEU 11 -9.800 -8.918 -5.125 59 HD12 LEU 11 HD12 LEU 11 -8.556 -7.885 -4.420 60 HD13 LEU 11 HD13 LEU 11 -10.260 -7.537 -4.128 61 HD21 LEU 11 HD21 LEU 11 -11.696 -6.708 -6.155 62 HD22 LEU 11 HD22 LEU 11 -10.888 -6.568 -7.716 63 HD23 LEU 11 HD23 LEU 11 -11.146 -8.158 -6.997 64 HA PRO 12 HA PRO 12 -10.028 -1.169 -2.579 65 HB2 PRO 12 HB2 PRO 12 -8.089 -2.383 -0.646 66 HB3 PRO 12 HB3 PRO 12 -9.362 -1.188 -0.359 67 HG2 PRO 12 HG2 PRO 12 -9.730 -3.735 0.282 68 HG3 PRO 12 HG3 PRO 12 -11.045 -2.774 -0.419 69 HD2 PRO 12 HD2 PRO 12 -9.405 -4.921 -1.656 70 HD3 PRO 12 HD3 PRO 12 -11.072 -4.426 -2.006 71 H ARG 13 H ARG 13 -8.931 0.137 -3.836 72 HA ARG 13 HA ARG 13 -6.230 -0.514 -4.640 73 HB2 ARG 13 HB2 ARG 13 -6.509 1.548 -6.081 74 HB3 ARG 13 HB3 ARG 13 -7.613 0.222 -6.418 75 HG2 ARG 13 HG2 ARG 13 -9.337 1.381 -5.066 76 HG3 ARG 13 HG3 ARG 13 -8.227 2.742 -4.890 77 HD2 ARG 13 HD2 ARG 13 -8.249 3.163 -7.233 78 HD3 ARG 13 HD3 ARG 13 -9.100 1.653 -7.555 79 HE ARG 13 HE ARG 13 -10.316 3.948 -6.150 80 HH11 ARG 13 HH11 ARG 13 -10.503 1.215 -8.325 81 HH12 ARG 13 HH12 ARG 13 -12.183 1.464 -8.697 82 HH21 ARG 13 HH21 ARG 13 -12.529 4.279 -6.632 83 HH22 ARG 13 HH22 ARG 13 -13.319 3.195 -7.743 84 H LEU 14 H LEU 14 -4.466 0.334 -3.834 85 HA LEU 14 HA LEU 14 -4.719 2.562 -1.943 86 HB2 LEU 14 HB2 LEU 14 -3.556 0.456 -1.222 87 HB3 LEU 14 HB3 LEU 14 -2.341 0.762 -2.448 88 HG LEU 14 HG LEU 14 -1.712 2.850 -1.309 89 HD11 LEU 14 HD11 LEU 14 -3.707 1.986 0.779 90 HD12 LEU 14 HD12 LEU 14 -2.582 3.338 0.918 91 HD13 LEU 14 HD13 LEU 14 -3.865 3.379 -0.292 92 HD21 LEU 14 HD21 LEU 14 -0.635 1.830 0.612 93 HD22 LEU 14 HD22 LEU 14 -1.727 0.448 0.513 94 HD23 LEU 14 HD23 LEU 14 -0.565 0.752 -0.781 95 H CYS 15 H CYS 15 -4.582 4.435 -2.971 96 HA CYS 15 HA CYS 15 -2.968 4.580 -5.405 97 HB2 CYS 15 HB2 CYS 15 -5.030 6.526 -4.355 98 HB3 CYS 15 HB3 CYS 15 -4.282 6.553 -5.948 99 HG CYS 15 HG CYS 15 -5.650 4.586 -7.046 100 H CYS 16 H CYS 16 -1.036 5.498 -5.339 101 HA CYS 16 HA CYS 16 -0.358 7.284 -3.142 102 HB2 CYS 16 HB2 CYS 16 1.909 7.300 -4.259 103 HB3 CYS 16 HB3 CYS 16 1.361 5.724 -3.701 104 HG CYS 16 HG CYS 16 1.186 6.784 -6.952 105 H LEU 17 H LEU 17 -1.114 9.274 -3.336 106 HA LEU 17 HA LEU 17 -1.387 10.485 -5.973 107 HB2 LEU 17 HB2 LEU 17 -2.349 11.221 -3.230 108 HB3 LEU 17 HB3 LEU 17 -2.335 12.413 -4.513 109 HG LEU 17 HG LEU 17 -3.763 10.833 -5.859 110 HD11 LEU 17 HD11 LEU 17 -4.015 9.424 -3.222 111 HD12 LEU 17 HD12 LEU 17 -5.016 9.138 -4.646 112 HD13 LEU 17 HD13 LEU 17 -3.289 8.777 -4.694 113 HD21 LEU 17 HD21 LEU 17 -4.689 12.774 -4.769 114 HD22 LEU 17 HD22 LEU 17 -5.815 11.420 -4.670 115 HD23 LEU 17 HD23 LEU 17 -4.855 11.872 -3.262 116 H GLU 18 H GLU 18 -0.474 12.491 -6.505 117 HA GLU 18 HA GLU 18 2.138 12.853 -5.217 118 HB2 GLU 18 HB2 GLU 18 1.320 13.547 -8.042 119 HB3 GLU 18 HB3 GLU 18 2.949 13.575 -7.379 120 HG2 GLU 18 HG2 GLU 18 3.031 11.223 -7.220 121 HG3 GLU 18 HG3 GLU 18 1.300 11.071 -7.519 122 H LYS 19 H LYS 19 2.647 14.764 -4.363 123 HA LYS 19 HA LYS 19 0.751 16.851 -4.137 124 HB2 LYS 19 HB2 LYS 19 2.455 16.403 -2.423 125 HB3 LYS 19 HB3 LYS 19 3.721 16.863 -3.551 126 HG2 LYS 19 HG2 LYS 19 3.252 18.638 -1.951 127 HG3 LYS 19 HG3 LYS 19 2.879 19.142 -3.597 128 HD2 LYS 19 HD2 LYS 19 1.180 19.854 -1.949 129 HD3 LYS 19 HD3 LYS 19 0.526 18.827 -3.223 130 HE2 LYS 19 HE2 LYS 19 -0.382 18.219 -1.052 131 HE3 LYS 19 HE3 LYS 19 0.585 16.909 -1.722 132 HZ1 LYS 19 HZ1 LYS 19 1.371 18.800 0.435 133 HZ2 LYS 19 HZ2 LYS 19 1.096 17.132 0.576 134 HZ3 LYS 19 HZ3 LYS 19 2.431 17.695 -0.290 135 H GLY 20 H GLY 20 0.126 17.833 -5.915 136 HA2 GLY 20 HA2 GLY 20 2.040 18.563 -7.994 137 HA3 GLY 20 HA3 GLY 20 0.292 18.696 -8.094 138 HA PRO 21 HA PRO 21 1.255 23.045 -7.879 139 HB2 PRO 21 HB2 PRO 21 -1.349 23.905 -7.837 140 HB3 PRO 21 HB3 PRO 21 -0.484 23.443 -9.306 141 HG2 PRO 21 HG2 PRO 21 -2.415 21.855 -7.664 142 HG3 PRO 21 HG3 PRO 21 -2.273 21.974 -9.428 143 HD2 PRO 21 HD2 PRO 21 -1.314 19.865 -8.060 144 HD3 PRO 21 HD3 PRO 21 -0.502 20.487 -9.511 145 H ASN 22 H ASN 22 -1.598 22.082 -5.949 146 HA ASN 22 HA ASN 22 -0.334 23.219 -3.568 147 HB2 ASN 22 HB2 ASN 22 -2.409 24.448 -2.978 148 HB3 ASN 22 HB3 ASN 22 -1.652 25.073 -4.438 149 HD21 ASN 22 HD21 ASN 22 -2.688 24.855 -6.395 150 HD22 ASN 22 HD22 ASN 22 -4.340 24.340 -6.531 151 H GLY 23 H GLY 23 -0.958 20.519 -4.507 152 HA2 GLY 23 HA2 GLY 23 -1.830 19.156 -2.366 153 HA3 GLY 23 HA3 GLY 23 -3.340 19.699 -3.084 154 H TYR 24 H TYR 24 -4.245 18.032 -4.122 155 HA TYR 24 HA TYR 24 -2.485 16.366 -5.801 156 HB2 TYR 24 HB2 TYR 24 -4.794 15.338 -4.140 157 HB3 TYR 24 HB3 TYR 24 -3.658 14.377 -5.091 158 HD1 TYR 24 HD1 TYR 24 -1.193 14.507 -4.460 159 HD2 TYR 24 HD2 TYR 24 -4.317 15.839 -1.903 160 HE1 TYR 24 HE1 TYR 24 0.351 14.431 -2.559 161 HE2 TYR 24 HE2 TYR 24 -2.784 15.753 0.018 162 HH TYR 24 HH TYR 24 -0.724 14.671 0.689 163 H GLY 25 H GLY 25 -5.707 17.694 -5.266 164 HA2 GLY 25 HA2 GLY 25 -6.546 18.890 -7.231 165 HA3 GLY 25 HA3 GLY 25 -6.041 17.518 -8.199 166 H PHE 26 H PHE 26 -7.685 17.028 -5.122 167 HA PHE 26 HA PHE 26 -10.167 16.601 -6.636 168 HB2 PHE 26 HB2 PHE 26 -10.663 14.545 -5.450 169 HB3 PHE 26 HB3 PHE 26 -9.130 14.397 -6.307 170 HD1 PHE 26 HD2 PHE 26 -6.990 14.586 -4.980 171 HD2 PHE 26 HD1 PHE 26 -10.815 14.194 -3.153 172 HE1 PHE 26 HE2 PHE 26 -5.921 13.829 -2.899 173 HE2 PHE 26 HE1 PHE 26 -9.748 13.440 -1.072 174 HZ PHE 26 HZ PHE 26 -7.300 13.247 -0.947 175 H HIS 27 H HIS 27 -12.098 16.589 -5.357 176 HA HIS 27 HA HIS 27 -11.828 18.354 -3.022 177 HB2 HIS 27 HB2 HIS 27 -14.225 17.823 -4.795 178 HB3 HIS 27 HB3 HIS 27 -14.228 18.882 -3.391 179 HD1 HIS 27 HD1 HIS 27 -13.113 21.203 -3.654 180 HD2 HIS 27 HD2 HIS 27 -13.041 18.873 -7.099 181 HE1 HIS 27 HE1 HIS 27 -12.428 22.752 -5.507 182 HE2 HIS 27 HE2 HIS 27 -12.574 21.372 -7.607 183 H LEU 28 H LEU 28 -12.016 17.425 -1.117 184 HA LEU 28 HA LEU 28 -13.383 14.839 -0.907 185 HB2 LEU 28 HB2 LEU 28 -11.018 15.198 -0.057 186 HB3 LEU 28 HB3 LEU 28 -11.682 16.284 1.139 187 HG LEU 28 HG LEU 28 -11.116 14.006 1.986 188 HD11 LEU 28 HD11 LEU 28 -13.128 13.689 3.302 189 HD12 LEU 28 HD12 LEU 28 -12.713 15.399 3.182 190 HD13 LEU 28 HD13 LEU 28 -14.026 14.739 2.207 191 HD21 LEU 28 HD21 LEU 28 -13.413 13.167 0.235 192 HD22 LEU 28 HD22 LEU 28 -11.725 12.680 0.082 193 HD23 LEU 28 HD23 LEU 28 -12.667 12.166 1.480 194 H HIS 29 H HIS 29 -15.425 14.839 -0.180 195 HA HIS 29 HA HIS 29 -16.263 17.146 1.432 196 HB2 HIS 29 HB2 HIS 29 -18.502 16.903 0.675 197 HB3 HIS 29 HB3 HIS 29 -17.487 16.807 -0.754 198 HD1 HIS 29 HD1 HIS 29 -19.882 14.825 1.328 199 HD2 HIS 29 HD2 HIS 29 -17.510 14.307 -2.061 200 HE1 HIS 29 HE1 HIS 29 -20.703 12.718 0.230 201 HE2 HIS 29 HE2 HIS 29 -19.289 12.436 -1.839 202 H GLY 30 H GLY 30 -16.783 16.851 3.440 203 HA2 GLY 30 HA2 GLY 30 -17.177 14.071 4.356 204 HA3 GLY 30 HA3 GLY 30 -16.325 15.291 5.301 205 H GLU 31 H GLU 31 -18.996 13.655 5.370 206 HA GLU 31 HA GLU 31 -20.922 15.801 5.611 207 HB2 GLU 31 HB2 GLU 31 -21.240 12.850 6.201 208 HB3 GLU 31 HB3 GLU 31 -22.535 14.024 5.988 209 HG2 GLU 31 HG2 GLU 31 -20.621 13.001 3.904 210 HG3 GLU 31 HG3 GLU 31 -22.366 12.764 3.981 211 H LYS 32 H LYS 32 -22.247 15.990 7.578 212 HA LYS 32 HA LYS 32 -20.459 16.502 9.739 213 HB2 LYS 32 HB2 LYS 32 -22.521 17.853 9.033 214 HB3 LYS 32 HB3 LYS 32 -23.462 16.645 9.896 215 HG2 LYS 32 HG2 LYS 32 -23.065 18.592 11.282 216 HG3 LYS 32 HG3 LYS 32 -22.256 17.173 11.953 217 HD2 LYS 32 HD2 LYS 32 -20.138 17.904 11.065 218 HD3 LYS 32 HD3 LYS 32 -20.912 19.250 10.226 219 HE2 LYS 32 HE2 LYS 32 -20.785 18.863 13.215 220 HE3 LYS 32 HE3 LYS 32 -19.800 19.986 12.277 221 HZ1 LYS 32 HZ1 LYS 32 -21.852 21.105 11.590 222 HZ2 LYS 32 HZ2 LYS 32 -22.757 20.058 12.575 223 HZ3 LYS 32 HZ3 LYS 32 -21.650 21.134 13.274 224 H GLY 33 H GLY 33 -19.656 14.709 10.649 225 HA2 GLY 33 HA2 GLY 33 -20.897 13.402 12.700 226 HA3 GLY 33 HA3 GLY 33 -21.244 12.413 11.284 227 H LYS 34 H LYS 34 -19.988 10.681 12.049 228 HA LYS 34 HA LYS 34 -17.111 11.186 12.323 229 HB2 LYS 34 HB2 LYS 34 -18.748 8.738 13.032 230 HB3 LYS 34 HB3 LYS 34 -17.019 8.918 13.301 231 HG2 LYS 34 HG2 LYS 34 -19.106 10.706 14.530 232 HG3 LYS 34 HG3 LYS 34 -18.431 9.281 15.322 233 HD2 LYS 34 HD2 LYS 34 -16.716 11.527 14.288 234 HD3 LYS 34 HD3 LYS 34 -17.383 11.519 15.923 235 HE2 LYS 34 HE2 LYS 34 -16.215 9.495 16.455 236 HE3 LYS 34 HE3 LYS 34 -15.686 9.298 14.784 237 HZ1 LYS 34 HZ1 LYS 34 -13.950 10.185 16.255 238 HZ2 LYS 34 HZ2 LYS 34 -14.322 11.239 14.987 239 HZ3 LYS 34 HZ3 LYS 34 -14.900 11.561 16.547 240 H LEU 35 H LEU 35 -19.301 8.758 10.919 241 HA LEU 35 HA LEU 35 -17.291 8.112 8.922 242 HB2 LEU 35 HB2 LEU 35 -20.022 6.916 9.389 243 HB3 LEU 35 HB3 LEU 35 -18.835 6.326 8.242 244 HG LEU 35 HG LEU 35 -18.533 6.329 11.248 245 HD11 LEU 35 HD11 LEU 35 -18.656 3.884 10.986 246 HD12 LEU 35 HD12 LEU 35 -20.147 4.694 10.504 247 HD13 LEU 35 HD13 LEU 35 -19.025 4.106 9.276 248 HD21 LEU 35 HD21 LEU 35 -16.515 4.990 10.817 249 HD22 LEU 35 HD22 LEU 35 -16.718 5.262 9.086 250 HD23 LEU 35 HD23 LEU 35 -16.380 6.621 10.158 251 H GLY 36 H GLY 36 -17.246 9.185 7.063 252 HA2 GLY 36 HA2 GLY 36 -19.152 9.326 5.170 253 HA3 GLY 36 HA3 GLY 36 -19.558 10.694 6.191 254 H GLN 37 H GLN 37 -16.498 9.345 4.898 255 HA GLN 37 HA GLN 37 -15.918 12.039 3.846 256 HB2 GLN 37 HB2 GLN 37 -13.851 9.880 4.198 257 HB3 GLN 37 HB3 GLN 37 -13.610 11.613 4.056 258 HG2 GLN 37 HG2 GLN 37 -14.764 10.157 6.419 259 HG3 GLN 37 HG3 GLN 37 -13.152 10.852 6.301 260 HE21 GLN 37 HE21 GLN 37 -15.233 11.360 8.216 261 HE22 GLN 37 HE22 GLN 37 -15.595 13.055 8.137 262 H TYR 38 H TYR 38 -16.197 12.191 1.693 263 HA TYR 38 HA TYR 38 -15.610 9.834 0.033 264 HB2 TYR 38 HB2 TYR 38 -18.098 11.518 -0.319 265 HB3 TYR 38 HB3 TYR 38 -17.657 10.074 -1.219 266 HD1 TYR 38 HD1 TYR 38 -17.767 7.846 -0.102 267 HD2 TYR 38 HD2 TYR 38 -19.212 11.384 1.765 268 HE1 TYR 38 HE1 TYR 38 -19.065 6.476 1.478 269 HE2 TYR 38 HE2 TYR 38 -20.508 10.029 3.351 270 HH TYR 38 HH TYR 38 -21.487 7.793 3.488 271 H ILE 39 H ILE 39 -15.008 10.269 -2.083 272 HA ILE 39 HA ILE 39 -14.101 12.970 -2.672 273 HB ILE 39 HB ILE 39 -14.093 10.657 -4.612 274 HG12 ILE 39 HG12 ILE 39 -13.079 9.875 -2.493 275 HG13 ILE 39 HG13 ILE 39 -11.900 9.979 -3.794 276 HG21 ILE 39 HG21 ILE 39 -13.544 12.844 -5.508 277 HG22 ILE 39 HG22 ILE 39 -12.297 13.056 -4.278 278 HG23 ILE 39 HG23 ILE 39 -12.118 11.806 -5.510 279 HD11 ILE 39 HD11 ILE 39 -10.963 10.784 -1.724 280 HD12 ILE 39 HD12 ILE 39 -11.111 12.110 -2.881 281 HD13 ILE 39 HD13 ILE 39 -12.272 11.955 -1.563 282 H ARG 40 H ARG 40 -15.212 14.412 -3.964 283 HA ARG 40 HA ARG 40 -17.697 13.378 -5.148 284 HB2 ARG 40 HB2 ARG 40 -17.892 15.207 -3.458 285 HB3 ARG 40 HB3 ARG 40 -17.025 16.260 -4.571 286 HG2 ARG 40 HG2 ARG 40 -18.775 16.110 -6.187 287 HG3 ARG 40 HG3 ARG 40 -19.594 14.858 -5.251 288 HD2 ARG 40 HD2 ARG 40 -20.735 16.906 -4.858 289 HD3 ARG 40 HD3 ARG 40 -19.825 16.505 -3.401 290 HE ARG 40 HE ARG 40 -18.652 18.358 -5.342 291 HH11 ARG 40 HH11 ARG 40 -20.089 17.763 -2.206 292 HH12 ARG 40 HH12 ARG 40 -19.574 19.288 -1.532 293 HH21 ARG 40 HH21 ARG 40 -18.019 20.388 -4.482 294 HH22 ARG 40 HH22 ARG 40 -18.464 20.802 -2.853 295 H LEU 41 H LEU 41 -14.825 15.277 -5.854 296 HA LEU 41 HA LEU 41 -15.270 14.853 -8.689 297 HB2 LEU 41 HB2 LEU 41 -16.450 16.954 -8.225 298 HB3 LEU 41 HB3 LEU 41 -14.995 17.617 -7.508 299 HG LEU 41 HG LEU 41 -13.870 17.446 -9.716 300 HD11 LEU 41 HD11 LEU 41 -15.234 17.082 -11.712 301 HD12 LEU 41 HD12 LEU 41 -15.194 15.652 -10.681 302 HD13 LEU 41 HD13 LEU 41 -16.619 16.691 -10.692 303 HD21 LEU 41 HD21 LEU 41 -14.849 19.546 -9.019 304 HD22 LEU 41 HD22 LEU 41 -15.084 19.318 -10.752 305 HD23 LEU 41 HD23 LEU 41 -16.423 19.046 -9.637 306 H VAL 42 H VAL 42 -13.426 14.496 -9.711 307 HA VAL 42 HA VAL 42 -10.913 15.315 -8.410 308 HB VAL 42 HB VAL 42 -11.276 13.067 -10.406 309 HG11 VAL 42 HG11 VAL 42 -9.015 12.424 -9.722 310 HG12 VAL 42 HG12 VAL 42 -9.049 14.050 -10.405 311 HG13 VAL 42 HG13 VAL 42 -8.941 13.830 -8.659 312 HG21 VAL 42 HG21 VAL 42 -12.422 12.482 -8.354 313 HG22 VAL 42 HG22 VAL 42 -10.931 11.550 -8.491 314 HG23 VAL 42 HG23 VAL 42 -11.008 12.936 -7.403 315 H GLU 43 H GLU 43 -9.617 16.666 -9.517 316 HA GLU 43 HA GLU 43 -10.722 17.991 -11.791 317 HB2 GLU 43 HB2 GLU 43 -9.221 18.845 -9.792 318 HB3 GLU 43 HB3 GLU 43 -7.904 18.405 -10.868 319 HG2 GLU 43 HG2 GLU 43 -8.435 20.029 -12.408 320 HG3 GLU 43 HG3 GLU 43 -10.109 20.146 -11.864 321 HA PRO 44 HA PRO 44 -9.330 15.359 -14.975 322 HB2 PRO 44 HB2 PRO 44 -8.956 17.224 -16.977 323 HB3 PRO 44 HB3 PRO 44 -10.522 16.562 -16.499 324 HG2 PRO 44 HG2 PRO 44 -9.217 19.128 -15.673 325 HG3 PRO 44 HG3 PRO 44 -10.898 18.833 -16.150 326 HD2 PRO 44 HD2 PRO 44 -10.253 19.074 -13.583 327 HD3 PRO 44 HD3 PRO 44 -11.430 17.846 -14.099 328 H GLY 45 H GLY 45 -7.344 18.079 -14.083 329 HA2 GLY 45 HA2 GLY 45 -5.033 16.765 -15.369 330 HA3 GLY 45 HA3 GLY 45 -5.139 18.494 -15.067 331 H SER 46 H SER 46 -5.847 15.733 -12.949 332 HA SER 46 HA SER 46 -3.812 16.780 -11.098 333 HB2 SER 46 HB2 SER 46 -5.229 16.090 -9.247 334 HB3 SER 46 HB3 SER 46 -6.146 17.152 -10.314 335 HG SER 46 HG SER 46 -7.271 15.427 -11.083 336 HA PRO 47 HA PRO 47 -1.917 12.742 -11.120 337 HB2 PRO 47 HB2 PRO 47 -0.989 12.797 -8.524 338 HB3 PRO 47 HB3 PRO 47 -0.159 13.531 -9.902 339 HG2 PRO 47 HG2 PRO 47 -1.916 14.798 -7.846 340 HG3 PRO 47 HG3 PRO 47 -0.423 15.412 -8.582 341 HD2 PRO 47 HD2 PRO 47 -2.838 16.296 -9.340 342 HD3 PRO 47 HD3 PRO 47 -1.509 16.104 -10.501 343 H ALA 48 H ALA 48 -4.437 13.727 -9.025 344 HA ALA 48 HA ALA 48 -4.735 11.400 -7.463 345 HB1 ALA 48 HB1 ALA 48 -6.773 13.478 -8.237 346 HB2 ALA 48 HB2 ALA 48 -6.972 12.270 -6.966 347 HB3 ALA 48 HB3 ALA 48 -5.728 13.514 -6.816 348 H GLU 49 H GLU 49 -6.289 12.415 -10.516 349 HA GLU 49 HA GLU 49 -8.079 10.218 -10.529 350 HB2 GLU 49 HB2 GLU 49 -8.507 10.900 -12.918 351 HB3 GLU 49 HB3 GLU 49 -8.778 12.136 -11.705 352 HG2 GLU 49 HG2 GLU 49 -7.686 13.365 -13.262 353 HG3 GLU 49 HG3 GLU 49 -6.306 12.808 -12.319 354 H LYS 50 H LYS 50 -4.911 10.717 -11.942 355 HA LYS 50 HA LYS 50 -4.954 8.271 -13.435 356 HB2 LYS 50 HB2 LYS 50 -2.538 8.703 -13.764 357 HB3 LYS 50 HB3 LYS 50 -3.558 10.061 -14.206 358 HG2 LYS 50 HG2 LYS 50 -3.038 11.091 -12.009 359 HG3 LYS 50 HG3 LYS 50 -1.895 9.779 -11.721 360 HD2 LYS 50 HD2 LYS 50 -0.743 11.743 -12.559 361 HD3 LYS 50 HD3 LYS 50 -0.656 10.432 -13.738 362 HE2 LYS 50 HE2 LYS 50 -2.457 11.442 -15.022 363 HE3 LYS 50 HE3 LYS 50 -2.624 12.720 -13.819 364 HZ1 LYS 50 HZ1 LYS 50 -1.334 13.369 -15.807 365 HZ2 LYS 50 HZ2 LYS 50 -0.467 13.541 -14.364 366 HZ3 LYS 50 HZ3 LYS 50 -0.154 12.228 -15.389 367 H ALA 51 H ALA 51 -4.422 9.066 -10.174 368 HA ALA 51 HA ALA 51 -2.744 6.851 -9.494 369 HB1 ALA 51 HB1 ALA 51 -3.260 7.446 -7.184 370 HB2 ALA 51 HB2 ALA 51 -2.851 8.884 -8.122 371 HB3 ALA 51 HB3 ALA 51 -4.537 8.531 -7.738 372 H GLY 52 H GLY 52 -5.957 7.121 -10.408 373 HA2 GLY 52 HA2 GLY 52 -7.283 5.139 -10.725 374 HA3 GLY 52 HA3 GLY 52 -6.544 4.460 -9.281 375 H LEU 53 H LEU 53 -7.010 7.424 -8.308 376 HA LEU 53 HA LEU 53 -9.256 6.917 -6.700 377 HB2 LEU 53 HB2 LEU 53 -7.416 8.507 -6.210 378 HB3 LEU 53 HB3 LEU 53 -8.049 9.565 -7.455 379 HG LEU 53 HG LEU 53 -10.219 9.593 -6.086 380 HD11 LEU 53 HD11 LEU 53 -9.942 9.169 -3.698 381 HD12 LEU 53 HD12 LEU 53 -9.723 7.699 -4.648 382 HD13 LEU 53 HD13 LEU 53 -8.319 8.548 -3.996 383 HD21 LEU 53 HD21 LEU 53 -9.324 11.344 -4.612 384 HD22 LEU 53 HD22 LEU 53 -7.688 10.818 -5.014 385 HD23 LEU 53 HD23 LEU 53 -8.732 11.489 -6.267 386 H LEU 54 H LEU 54 -11.384 7.147 -7.081 387 HA LEU 54 HA LEU 54 -12.174 8.543 -9.544 388 HB2 LEU 54 HB2 LEU 54 -13.595 6.421 -7.936 389 HB3 LEU 54 HB3 LEU 54 -14.326 7.275 -9.280 390 HG LEU 54 HG LEU 54 -11.919 5.460 -9.429 391 HD11 LEU 54 HD11 LEU 54 -13.394 4.005 -10.716 392 HD12 LEU 54 HD12 LEU 54 -14.028 4.274 -9.093 393 HD13 LEU 54 HD13 LEU 54 -14.729 5.129 -10.467 394 HD21 LEU 54 HD21 LEU 54 -11.754 7.308 -11.018 395 HD22 LEU 54 HD22 LEU 54 -12.066 5.782 -11.845 396 HD23 LEU 54 HD23 LEU 54 -13.373 6.944 -11.616 397 H ALA 55 H ALA 55 -14.270 9.681 -9.452 398 HA ALA 55 HA ALA 55 -14.217 11.468 -7.176 399 HB1 ALA 55 HB1 ALA 55 -15.741 12.843 -8.484 400 HB2 ALA 55 HB2 ALA 55 -14.348 12.355 -9.450 401 HB3 ALA 55 HB3 ALA 55 -15.902 11.551 -9.673 402 H GLY 56 H GLY 56 -15.116 8.843 -6.587 403 HA2 GLY 56 HA2 GLY 56 -17.627 9.564 -5.320 404 HA3 GLY 56 HA3 GLY 56 -17.718 8.220 -6.450 405 H ASP 57 H ASP 57 -14.693 8.334 -4.979 406 HA ASP 57 HA ASP 57 -15.236 5.864 -3.620 407 HB2 ASP 57 HB2 ASP 57 -12.781 7.502 -4.129 408 HB3 ASP 57 HB3 ASP 57 -12.746 6.228 -2.920 409 H ARG 58 H ARG 58 -14.877 5.437 -1.421 410 HA ARG 58 HA ARG 58 -14.919 7.798 0.337 411 HB2 ARG 58 HB2 ARG 58 -15.634 6.199 2.129 412 HB3 ARG 58 HB3 ARG 58 -16.785 6.361 0.812 413 HG2 ARG 58 HG2 ARG 58 -16.383 4.236 0.019 414 HG3 ARG 58 HG3 ARG 58 -14.783 4.151 0.757 415 HD2 ARG 58 HD2 ARG 58 -17.348 4.214 2.337 416 HD3 ARG 58 HD3 ARG 58 -16.543 2.724 1.843 417 HE ARG 58 HE ARG 58 -14.607 4.174 3.118 418 HH11 ARG 58 HH11 ARG 58 -17.779 3.006 4.001 419 HH12 ARG 58 HH12 ARG 58 -17.373 2.790 5.676 420 HH21 ARG 58 HH21 ARG 58 -14.070 3.910 5.315 421 HH22 ARG 58 HH22 ARG 58 -15.256 3.311 6.429 422 H LEU 59 H LEU 59 -13.279 8.155 1.752 423 HA LEU 59 HA LEU 59 -10.852 6.656 1.330 424 HB2 LEU 59 HB2 LEU 59 -10.853 9.124 1.613 425 HB3 LEU 59 HB3 LEU 59 -11.400 8.912 3.263 426 HG LEU 59 HG LEU 59 -9.307 7.735 3.809 427 HD11 LEU 59 HD11 LEU 59 -8.548 8.397 0.966 428 HD12 LEU 59 HD12 LEU 59 -7.456 7.761 2.196 429 HD13 LEU 59 HD13 LEU 59 -8.812 6.784 1.629 430 HD21 LEU 59 HD21 LEU 59 -8.912 10.421 2.499 431 HD22 LEU 59 HD22 LEU 59 -9.440 10.137 4.157 432 HD23 LEU 59 HD23 LEU 59 -7.815 9.670 3.657 433 H VAL 60 H VAL 60 -10.189 4.997 2.489 434 HA VAL 60 HA VAL 60 -11.693 4.272 4.901 435 HB VAL 60 HB VAL 60 -9.679 2.660 3.323 436 HG11 VAL 60 HG11 VAL 60 -9.868 1.942 5.642 437 HG12 VAL 60 HG12 VAL 60 -11.618 1.803 5.464 438 HG13 VAL 60 HG13 VAL 60 -10.550 0.741 4.547 439 HG21 VAL 60 HG21 VAL 60 -12.694 2.566 3.261 440 HG22 VAL 60 HG22 VAL 60 -11.641 3.148 1.971 441 HG23 VAL 60 HG23 VAL 60 -11.613 1.445 2.431 442 H GLU 61 H GLU 61 -8.286 4.370 3.824 443 HA GLU 61 HA GLU 61 -7.518 5.452 6.380 444 HB2 GLU 61 HB2 GLU 61 -5.780 3.638 6.719 445 HB3 GLU 61 HB3 GLU 61 -7.444 3.212 7.074 446 HG2 GLU 61 HG2 GLU 61 -7.595 2.076 4.900 447 HG3 GLU 61 HG3 GLU 61 -5.900 2.464 4.601 448 H VAL 62 H VAL 62 -5.265 6.072 6.466 449 HA VAL 62 HA VAL 62 -4.206 6.627 3.773 450 HB VAL 62 HB VAL 62 -5.198 8.675 4.476 451 HG11 VAL 62 HG11 VAL 62 -5.455 8.083 6.845 452 HG12 VAL 62 HG12 VAL 62 -3.740 8.404 7.093 453 HG13 VAL 62 HG13 VAL 62 -4.820 9.712 6.621 454 HG21 VAL 62 HG21 VAL 62 -3.250 10.184 4.821 455 HG22 VAL 62 HG22 VAL 62 -2.238 8.758 5.046 456 HG23 VAL 62 HG23 VAL 62 -3.031 9.037 3.495 457 H ASN 63 H ASN 63 -2.289 5.769 3.519 458 HA ASN 63 HA ASN 63 -0.184 5.012 3.870 459 HB2 ASN 63 HB2 ASN 63 -0.316 7.387 5.702 460 HB3 ASN 63 HB3 ASN 63 1.149 6.415 5.598 461 HD21 ASN 63 HD21 ASN 63 2.469 6.640 3.878 462 HD22 ASN 63 HD22 ASN 63 2.202 7.774 2.596 463 H GLY 64 H GLY 64 -2.401 3.871 5.617 464 HA2 GLY 64 HA2 GLY 64 -1.710 1.716 6.623 465 HA3 GLY 64 HA3 GLY 64 -0.531 2.635 7.538 466 H GLU 65 H GLU 65 -2.627 4.800 8.048 467 HA GLU 65 HA GLU 65 -3.848 3.294 10.253 468 HB2 GLU 65 HB2 GLU 65 -4.000 5.404 11.477 469 HB3 GLU 65 HB3 GLU 65 -2.348 5.044 11.009 470 HG2 GLU 65 HG2 GLU 65 -2.490 6.662 9.200 471 HG3 GLU 65 HG3 GLU 65 -4.171 6.998 9.618 472 H ASN 66 H ASN 66 -5.960 3.355 10.690 473 HA ASN 66 HA ASN 66 -7.728 3.862 8.503 474 HB2 ASN 66 HB2 ASN 66 -7.965 1.943 10.066 475 HB3 ASN 66 HB3 ASN 66 -8.335 3.067 11.364 476 HD21 ASN 66 HD21 ASN 66 -9.489 3.281 8.035 477 HD22 ASN 66 HD22 ASN 66 -11.158 3.019 8.417 478 H VAL 67 H VAL 67 -8.744 5.727 8.064 479 HA VAL 67 HA VAL 67 -9.056 7.673 10.255 480 HB VAL 67 HB VAL 67 -8.632 9.481 8.593 481 HG11 VAL 67 HG11 VAL 67 -6.376 7.520 8.982 482 HG12 VAL 67 HG12 VAL 67 -6.205 9.228 8.584 483 HG13 VAL 67 HG13 VAL 67 -6.891 8.750 10.137 484 HG21 VAL 67 HG21 VAL 67 -7.742 7.191 6.834 485 HG22 VAL 67 HG22 VAL 67 -9.114 8.262 6.541 486 HG23 VAL 67 HG23 VAL 67 -7.471 8.900 6.500 487 H GLU 68 H GLU 68 -11.064 5.840 9.272 488 HA GLU 68 HA GLU 68 -12.823 7.523 7.678 489 HB2 GLU 68 HB2 GLU 68 -14.361 5.592 7.691 490 HB3 GLU 68 HB3 GLU 68 -12.762 5.173 7.090 491 HG2 GLU 68 HG2 GLU 68 -12.208 4.209 9.261 492 HG3 GLU 68 HG3 GLU 68 -13.822 4.609 9.848 493 H LYS 69 H LYS 69 -12.308 6.675 10.996 494 HA LYS 69 HA LYS 69 -14.899 7.824 11.714 495 HB2 LYS 69 HB2 LYS 69 -12.853 6.419 13.416 496 HB3 LYS 69 HB3 LYS 69 -14.331 7.141 14.036 497 HG2 LYS 69 HG2 LYS 69 -15.134 5.075 13.776 498 HG3 LYS 69 HG3 LYS 69 -15.340 5.589 12.102 499 HD2 LYS 69 HD2 LYS 69 -14.278 3.437 12.152 500 HD3 LYS 69 HD3 LYS 69 -13.122 4.636 11.583 501 HE2 LYS 69 HE2 LYS 69 -12.056 4.727 13.732 502 HE3 LYS 69 HE3 LYS 69 -13.293 3.688 14.438 503 HZ1 LYS 69 HZ1 LYS 69 -11.132 2.589 13.876 504 HZ2 LYS 69 HZ2 LYS 69 -12.510 1.846 13.223 505 HZ3 LYS 69 HZ3 LYS 69 -11.512 2.804 12.240 506 H GLU 70 H GLU 70 -12.095 9.069 10.897 507 HA GLU 70 HA GLU 70 -11.511 10.839 13.074 508 HB2 GLU 70 HB2 GLU 70 -10.799 11.100 10.142 509 HB3 GLU 70 HB3 GLU 70 -10.108 12.046 11.449 510 HG2 GLU 70 HG2 GLU 70 -9.855 9.062 11.232 511 HG3 GLU 70 HG3 GLU 70 -8.683 10.196 10.573 512 H THR 71 H THR 71 -11.521 13.342 12.412 513 HA THR 71 HA THR 71 -14.261 13.972 11.643 514 HB THR 71 HB THR 71 -13.778 16.265 12.308 515 HG1 THR 71 HG1 THR 71 -11.297 15.872 13.354 516 HG21 THR 71 HG21 THR 71 -12.641 14.328 14.320 517 HG22 THR 71 HG22 THR 71 -13.273 15.938 14.667 518 HG23 THR 71 HG23 THR 71 -14.356 14.670 14.086 519 H HIS 72 H HIS 72 -14.609 15.702 9.987 520 HA HIS 72 HA HIS 72 -13.380 15.067 7.572 521 HB2 HIS 72 HB2 HIS 72 -15.523 16.169 7.579 522 HB3 HIS 72 HB3 HIS 72 -14.854 17.574 8.400 523 HD1 HIS 72 HD1 HIS 72 -14.475 15.761 5.077 524 HD2 HIS 72 HD2 HIS 72 -14.072 19.559 6.721 525 HE1 HIS 72 HE1 HIS 72 -13.967 17.287 3.142 526 HE2 HIS 72 HE2 HIS 72 -13.701 19.582 4.158 527 H GLN 73 H GLN 73 -12.699 17.675 9.846 528 HA GLN 73 HA GLN 73 -10.688 18.978 8.368 529 HB2 GLN 73 HB2 GLN 73 -11.801 19.950 10.339 530 HB3 GLN 73 HB3 GLN 73 -11.029 18.751 11.367 531 HG2 GLN 73 HG2 GLN 73 -8.831 19.671 10.729 532 HG3 GLN 73 HG3 GLN 73 -9.658 20.922 9.799 533 HE21 GLN 73 HE21 GLN 73 -8.850 22.595 11.041 534 HE22 GLN 73 HE22 GLN 73 -9.378 22.884 12.665 535 H GLN 74 H GLN 74 -10.509 16.339 10.744 536 HA GLN 74 HA GLN 74 -7.700 16.164 10.803 537 HB2 GLN 74 HB2 GLN 74 -9.831 14.135 11.431 538 HB3 GLN 74 HB3 GLN 74 -8.117 13.799 11.623 539 HG2 GLN 74 HG2 GLN 74 -9.611 16.018 13.002 540 HG3 GLN 74 HG3 GLN 74 -9.221 14.457 13.719 541 HE21 GLN 74 HE21 GLN 74 -8.031 15.398 15.354 542 HE22 GLN 74 HE22 GLN 74 -6.477 16.111 15.089 543 H VAL 75 H VAL 75 -10.129 14.477 8.859 544 HA VAL 75 HA VAL 75 -8.424 12.673 7.573 545 HB VAL 75 HB VAL 75 -10.966 13.931 6.524 546 HG11 VAL 75 HG11 VAL 75 -9.651 12.930 4.721 547 HG12 VAL 75 HG12 VAL 75 -9.539 11.426 5.638 548 HG13 VAL 75 HG13 VAL 75 -11.105 11.986 5.052 549 HG21 VAL 75 HG21 VAL 75 -11.263 12.762 8.651 550 HG22 VAL 75 HG22 VAL 75 -12.044 11.896 7.330 551 HG23 VAL 75 HG23 VAL 75 -10.505 11.322 7.968 552 H VAL 76 H VAL 76 -9.432 15.942 6.563 553 HA VAL 76 HA VAL 76 -7.997 15.947 4.128 554 HB VAL 76 HB VAL 76 -8.750 18.310 5.865 555 HG11 VAL 76 HG11 VAL 76 -6.984 18.780 4.168 556 HG12 VAL 76 HG12 VAL 76 -8.121 18.272 2.915 557 HG13 VAL 76 HG13 VAL 76 -8.483 19.679 3.917 558 HG21 VAL 76 HG21 VAL 76 -10.197 17.017 3.553 559 HG22 VAL 76 HG22 VAL 76 -10.695 17.001 5.246 560 HG23 VAL 76 HG23 VAL 76 -10.677 18.518 4.348 561 H SER 77 H SER 77 -7.131 16.930 7.405 562 HA SER 77 HA SER 77 -4.610 18.018 6.819 563 HB2 SER 77 HB2 SER 77 -5.578 16.703 9.365 564 HB3 SER 77 HB3 SER 77 -4.154 17.736 9.221 565 HG SER 77 HG SER 77 -6.885 18.410 9.035 566 H ARG 78 H ARG 78 -5.654 14.707 7.416 567 HA ARG 78 HA ARG 78 -3.156 13.466 7.698 568 HB2 ARG 78 HB2 ARG 78 -5.667 12.418 6.379 569 HB3 ARG 78 HB3 ARG 78 -4.298 11.434 6.868 570 HG2 ARG 78 HG2 ARG 78 -5.845 13.114 8.804 571 HG3 ARG 78 HG3 ARG 78 -6.299 11.460 8.404 572 HD2 ARG 78 HD2 ARG 78 -4.121 10.671 9.160 573 HD3 ARG 78 HD3 ARG 78 -3.637 12.327 9.523 574 HE ARG 78 HE ARG 78 -6.042 11.490 10.871 575 HH11 ARG 78 HH11 ARG 78 -2.557 11.562 11.004 576 HH12 ARG 78 HH12 ARG 78 -2.487 11.352 12.722 577 HH21 ARG 78 HH21 ARG 78 -5.992 11.213 13.121 578 HH22 ARG 78 HH22 ARG 78 -4.455 11.159 13.939 579 H ILE 79 H ILE 79 -5.077 14.153 4.806 580 HA ILE 79 HA ILE 79 -3.316 12.839 3.012 581 HB ILE 79 HB ILE 79 -5.314 14.989 2.298 582 HG12 ILE 79 HG12 ILE 79 -5.793 12.013 2.603 583 HG13 ILE 79 HG13 ILE 79 -6.349 13.241 3.735 584 HG21 ILE 79 HG21 ILE 79 -3.794 14.318 0.508 585 HG22 ILE 79 HG22 ILE 79 -4.249 12.631 0.745 586 HG23 ILE 79 HG23 ILE 79 -5.444 13.796 0.172 587 HD11 ILE 79 HD11 ILE 79 -7.192 12.968 0.856 588 HD12 ILE 79 HD12 ILE 79 -8.144 12.531 2.276 589 HD13 ILE 79 HD13 ILE 79 -7.735 14.219 1.974 590 H ARG 80 H ARG 80 -3.663 16.194 4.068 591 HA ARG 80 HA ARG 80 -1.829 17.267 2.178 592 HB2 ARG 80 HB2 ARG 80 -2.825 18.371 4.798 593 HB3 ARG 80 HB3 ARG 80 -1.797 19.264 3.687 594 HG2 ARG 80 HG2 ARG 80 -3.667 18.737 1.959 595 HG3 ARG 80 HG3 ARG 80 -4.654 18.465 3.398 596 HD2 ARG 80 HD2 ARG 80 -4.892 20.758 2.671 597 HD3 ARG 80 HD3 ARG 80 -4.034 20.709 4.213 598 HE ARG 80 HE ARG 80 -2.519 20.891 1.696 599 HH11 ARG 80 HH11 ARG 80 -3.491 22.306 4.750 600 HH12 ARG 80 HH12 ARG 80 -2.295 23.562 4.698 601 HH21 ARG 80 HH21 ARG 80 -0.948 22.528 1.622 602 HH22 ARG 80 HH22 ARG 80 -0.824 23.679 2.919 603 H ALA 81 H ALA 81 -1.429 15.618 5.163 604 HA ALA 81 HA ALA 81 0.953 16.881 6.052 605 HB1 ALA 81 HB1 ALA 81 -0.585 15.735 7.558 606 HB2 ALA 81 HB2 ALA 81 -0.181 14.192 6.801 607 HB3 ALA 81 HB3 ALA 81 1.052 15.091 7.690 608 H ALA 82 H ALA 82 0.411 14.499 3.654 609 HA ALA 82 HA ALA 82 2.827 13.024 4.020 610 HB1 ALA 82 HB1 ALA 82 1.052 13.145 1.597 611 HB2 ALA 82 HB2 ALA 82 2.255 11.909 1.966 612 HB3 ALA 82 HB3 ALA 82 0.817 12.070 2.975 613 H LEU 83 H LEU 83 4.679 13.022 2.792 614 HA LEU 83 HA LEU 83 5.325 15.595 1.557 615 HB2 LEU 83 HB2 LEU 83 7.082 13.336 2.521 616 HB3 LEU 83 HB3 LEU 83 7.685 14.788 1.745 617 HG LEU 83 HG LEU 83 6.177 14.713 4.362 618 HD11 LEU 83 HD11 LEU 83 8.402 13.738 4.562 619 HD12 LEU 83 HD12 LEU 83 9.104 15.159 3.790 620 HD13 LEU 83 HD13 LEU 83 8.326 15.306 5.366 621 HD21 LEU 83 HD21 LEU 83 5.791 16.780 3.145 622 HD22 LEU 83 HD22 LEU 83 6.848 17.071 4.526 623 HD23 LEU 83 HD23 LEU 83 7.528 16.981 2.901 624 H ASN 84 H ASN 84 4.921 15.649 -0.521 625 HA ASN 84 HA ASN 84 5.048 15.279 -2.743 626 HB2 ASN 84 HB2 ASN 84 7.371 14.689 -2.561 627 HB3 ASN 84 HB3 ASN 84 6.972 13.078 -1.977 628 HD21 ASN 84 HD21 ASN 84 7.002 15.199 -4.750 629 HD22 ASN 84 HD22 ASN 84 6.853 13.953 -5.945 630 H ALA 85 H ALA 85 4.964 12.068 -1.163 631 HA ALA 85 HA ALA 85 2.672 11.456 -2.912 632 HB1 ALA 85 HB1 ALA 85 4.810 9.538 -1.994 633 HB2 ALA 85 HB2 ALA 85 3.414 9.138 -2.994 634 HB3 ALA 85 HB3 ALA 85 4.659 10.223 -3.612 635 H VAL 86 H VAL 86 0.894 10.694 -1.997 636 HA VAL 86 HA VAL 86 1.018 9.807 0.813 637 HB VAL 86 HB VAL 86 -0.054 12.033 0.644 638 HG11 VAL 86 HG11 VAL 86 -2.090 10.647 -1.092 639 HG12 VAL 86 HG12 VAL 86 -2.220 12.288 -0.461 640 HG13 VAL 86 HG13 VAL 86 -0.946 11.886 -1.611 641 HG21 VAL 86 HG21 VAL 86 -0.753 10.528 2.415 642 HG22 VAL 86 HG22 VAL 86 -2.117 11.495 1.854 643 HG23 VAL 86 HG23 VAL 86 -1.964 9.811 1.352 644 H ARG 87 H ARG 87 -0.083 7.920 1.271 645 HA ARG 87 HA ARG 87 -1.183 6.546 -1.073 646 HB2 ARG 87 HB2 ARG 87 -0.307 5.451 1.605 647 HB3 ARG 87 HB3 ARG 87 -0.920 4.486 0.269 648 HG2 ARG 87 HG2 ARG 87 0.973 5.213 -1.107 649 HG3 ARG 87 HG3 ARG 87 1.599 6.132 0.261 650 HD2 ARG 87 HD2 ARG 87 1.147 3.155 0.205 651 HD3 ARG 87 HD3 ARG 87 2.704 3.955 0.010 652 HE ARG 87 HE ARG 87 2.127 4.888 2.352 653 HH11 ARG 87 HH11 ARG 87 1.481 1.657 1.155 654 HH12 ARG 87 HH12 ARG 87 1.448 0.948 2.747 655 HH21 ARG 87 HH21 ARG 87 2.178 3.927 4.435 656 HH22 ARG 87 HH22 ARG 87 1.854 2.222 4.591 657 H LEU 88 H LEU 88 -3.280 6.824 -1.296 658 HA LEU 88 HA LEU 88 -4.975 6.928 1.107 659 HB2 LEU 88 HB2 LEU 88 -5.669 7.714 -1.729 660 HB3 LEU 88 HB3 LEU 88 -6.670 7.948 -0.313 661 HG LEU 88 HG LEU 88 -4.109 9.385 -1.003 662 HD11 LEU 88 HD11 LEU 88 -5.556 11.356 -0.947 663 HD12 LEU 88 HD12 LEU 88 -6.097 10.180 -2.145 664 HD13 LEU 88 HD13 LEU 88 -6.946 10.324 -0.607 665 HD21 LEU 88 HD21 LEU 88 -4.134 8.889 1.397 666 HD22 LEU 88 HD22 LEU 88 -4.389 10.608 1.100 667 HD23 LEU 88 HD23 LEU 88 -5.754 9.574 1.526 668 H LEU 89 H LEU 89 -6.061 5.107 1.583 669 HA LEU 89 HA LEU 89 -6.555 3.165 -0.535 670 HB2 LEU 89 HB2 LEU 89 -5.757 2.361 1.664 671 HB3 LEU 89 HB3 LEU 89 -7.217 2.996 2.404 672 HG LEU 89 HG LEU 89 -8.536 1.465 0.899 673 HD11 LEU 89 HD11 LEU 89 -6.845 1.091 -0.793 674 HD12 LEU 89 HD12 LEU 89 -5.814 0.288 0.389 675 HD13 LEU 89 HD13 LEU 89 -7.353 -0.439 -0.075 676 HD21 LEU 89 HD21 LEU 89 -6.615 0.208 2.847 677 HD22 LEU 89 HD22 LEU 89 -8.179 0.929 3.227 678 HD23 LEU 89 HD23 LEU 89 -8.099 -0.534 2.245 679 H VAL 90 H VAL 90 -8.416 3.023 -1.563 680 HA VAL 90 HA VAL 90 -10.755 4.383 -0.427 681 HB VAL 90 HB VAL 90 -11.260 5.286 -2.739 682 HG11 VAL 90 HG11 VAL 90 -10.508 6.719 -0.931 683 HG12 VAL 90 HG12 VAL 90 -8.828 6.339 -1.309 684 HG13 VAL 90 HG13 VAL 90 -9.810 7.240 -2.465 685 HG21 VAL 90 HG21 VAL 90 -9.727 3.925 -4.036 686 HG22 VAL 90 HG22 VAL 90 -9.343 5.635 -4.243 687 HG23 VAL 90 HG23 VAL 90 -8.351 4.629 -3.187 688 H VAL 91 H VAL 91 -12.772 3.690 -1.227 689 HA VAL 91 HA VAL 91 -12.855 1.398 -3.003 690 HB VAL 91 HB VAL 91 -12.477 0.400 -0.772 691 HG11 VAL 91 HG11 VAL 91 -13.483 2.106 0.620 692 HG12 VAL 91 HG12 VAL 91 -15.080 1.718 -0.023 693 HG13 VAL 91 HG13 VAL 91 -14.210 0.533 0.950 694 HG21 VAL 91 HG21 VAL 91 -14.415 -1.142 -0.772 695 HG22 VAL 91 HG22 VAL 91 -15.214 -0.084 -1.936 696 HG23 VAL 91 HG23 VAL 91 -13.712 -0.899 -2.372 697 H ASP 92 H ASP 92 -14.862 1.115 -3.980 698 HA ASP 92 HA ASP 92 -16.650 3.264 -4.163 699 HB2 ASP 92 HB2 ASP 92 -17.189 0.334 -4.734 700 HB3 ASP 92 HB3 ASP 92 -18.143 1.688 -5.322 701 HA PRO 93 HA PRO 93 -18.804 2.830 -0.267 702 HB2 PRO 93 HB2 PRO 93 -20.899 4.338 -1.734 703 HB3 PRO 93 HB3 PRO 93 -20.122 4.700 -0.189 704 HG2 PRO 93 HG2 PRO 93 -19.498 6.084 -2.375 705 HG3 PRO 93 HG3 PRO 93 -18.254 5.634 -1.192 706 HD2 PRO 93 HD2 PRO 93 -18.867 4.419 -3.856 707 HD3 PRO 93 HD3 PRO 93 -17.294 4.726 -3.092 708 H GLU 94 H GLU 94 -20.206 2.106 -3.404 709 HA GLU 94 HA GLU 94 -22.431 0.627 -2.401 710 HB2 GLU 94 HB2 GLU 94 -21.091 0.246 -5.086 711 HB3 GLU 94 HB3 GLU 94 -22.732 -0.191 -4.647 712 HG2 GLU 94 HG2 GLU 94 -23.016 1.720 -5.905 713 HG3 GLU 94 HG3 GLU 94 -23.065 2.331 -4.251 714 H THR 95 H THR 95 -19.219 -0.278 -3.611 715 HA THR 95 HA THR 95 -19.637 -3.069 -3.263 716 HB THR 95 HB THR 95 -16.924 -1.779 -3.375 717 HG1 THR 95 HG1 THR 95 -17.196 -1.728 -5.655 718 HG21 THR 95 HG21 THR 95 -16.353 -3.804 -4.601 719 HG22 THR 95 HG22 THR 95 -17.092 -4.226 -3.056 720 HG23 THR 95 HG23 THR 95 -18.034 -4.336 -4.542 721 H ASP 96 H ASP 96 -18.476 -0.493 -1.237 722 HA ASP 96 HA ASP 96 -17.086 -1.952 0.697 723 HB2 ASP 96 HB2 ASP 96 -17.100 0.518 0.559 724 HB3 ASP 96 HB3 ASP 96 -18.772 0.528 1.108 725 H GLU 97 H GLU 97 -20.528 -1.415 0.256 726 HA GLU 97 HA GLU 97 -21.424 -2.481 2.710 727 HB2 GLU 97 HB2 GLU 97 -22.767 -2.402 -0.000 728 HB3 GLU 97 HB3 GLU 97 -23.573 -2.899 1.482 729 HG2 GLU 97 HG2 GLU 97 -23.097 -0.658 2.427 730 HG3 GLU 97 HG3 GLU 97 -22.432 -0.184 0.864 731 H GLN 98 H GLN 98 -20.690 -3.935 -0.403 732 HA GLN 98 HA GLN 98 -21.402 -6.597 0.256 733 HB2 GLN 98 HB2 GLN 98 -21.147 -5.898 -2.059 734 HB3 GLN 98 HB3 GLN 98 -19.459 -5.497 -1.788 735 HG2 GLN 98 HG2 GLN 98 -19.647 -7.577 -2.985 736 HG3 GLN 98 HG3 GLN 98 -18.965 -7.860 -1.386 737 HE21 GLN 98 HE21 GLN 98 -20.177 -8.954 0.146 738 HE22 GLN 98 HE22 GLN 98 -21.566 -9.900 -0.282 739 H LEU 99 H LEU 99 -18.448 -4.706 0.551 740 HA LEU 99 HA LEU 99 -16.753 -6.829 1.323 741 HB2 LEU 99 HB2 LEU 99 -16.499 -3.895 1.934 742 HB3 LEU 99 HB3 LEU 99 -15.230 -5.091 2.113 743 HG LEU 99 HG LEU 99 -16.323 -3.840 -0.356 744 HD11 LEU 99 HD11 LEU 99 -13.947 -3.850 -0.949 745 HD12 LEU 99 HD12 LEU 99 -14.247 -3.058 0.598 746 HD13 LEU 99 HD13 LEU 99 -13.594 -4.696 0.557 747 HD21 LEU 99 HD21 LEU 99 -15.094 -6.597 -0.299 748 HD22 LEU 99 HD22 LEU 99 -16.752 -6.204 -0.758 749 HD23 LEU 99 HD23 LEU 99 -15.407 -5.641 -1.749 750 H GLN 100 H GLN 100 -18.780 -4.587 3.150 751 HA GLN 100 HA GLN 100 -18.036 -5.354 5.741 752 HB2 GLN 100 HB2 GLN 100 -20.778 -4.514 4.773 753 HB3 GLN 100 HB3 GLN 100 -20.243 -4.529 6.446 754 HG2 GLN 100 HG2 GLN 100 -18.560 -2.831 5.916 755 HG3 GLN 100 HG3 GLN 100 -19.129 -2.805 4.246 756 HE21 GLN 100 HE21 GLN 100 -19.790 -1.878 7.514 757 HE22 GLN 100 HE22 GLN 100 -21.133 -0.847 7.164 758 H LYS 101 H LYS 101 -20.232 -6.817 3.423 759 HA LYS 101 HA LYS 101 -21.353 -8.752 5.170 760 HB2 LYS 101 HB2 LYS 101 -20.989 -8.906 2.171 761 HB3 LYS 101 HB3 LYS 101 -22.055 -9.920 3.133 762 HG2 LYS 101 HG2 LYS 101 -22.309 -6.944 2.771 763 HG3 LYS 101 HG3 LYS 101 -23.278 -8.177 1.965 764 HD2 LYS 101 HD2 LYS 101 -24.096 -8.934 4.162 765 HD3 LYS 101 HD3 LYS 101 -23.178 -7.639 4.932 766 HE2 LYS 101 HE2 LYS 101 -25.430 -7.319 2.948 767 HE3 LYS 101 HE3 LYS 101 -25.497 -6.985 4.679 768 HZ1 LYS 101 HZ1 LYS 101 -23.825 -5.552 2.682 769 HZ2 LYS 101 HZ2 LYS 101 -25.217 -4.950 3.439 770 HZ3 LYS 101 HZ3 LYS 101 -23.821 -5.252 4.355 771 H LEU 102 H LEU 102 -18.433 -8.579 3.286 772 HA LEU 102 HA LEU 102 -17.769 -11.358 3.524 773 HB2 LEU 102 HB2 LEU 102 -15.897 -9.062 2.932 774 HB3 LEU 102 HB3 LEU 102 -15.640 -10.758 2.566 775 HG LEU 102 HG LEU 102 -17.706 -8.964 1.280 776 HD11 LEU 102 HD11 LEU 102 -15.171 -10.163 0.175 777 HD12 LEU 102 HD12 LEU 102 -16.358 -9.229 -0.737 778 HD13 LEU 102 HD13 LEU 102 -15.436 -8.462 0.557 779 HD21 LEU 102 HD21 LEU 102 -17.028 -11.857 0.758 780 HD22 LEU 102 HD22 LEU 102 -18.526 -11.243 1.457 781 HD23 LEU 102 HD23 LEU 102 -18.115 -10.866 -0.216 782 H GLY 103 H GLY 103 -16.419 -8.388 4.974 783 HA2 GLY 103 HA2 GLY 103 -15.889 -8.014 7.198 784 HA3 GLY 103 HA3 GLY 103 -16.294 -9.682 7.553 785 H VAL 104 H VAL 104 -14.324 -10.167 5.126 786 HA VAL 104 HA VAL 104 -12.146 -10.909 6.820 787 HB VAL 104 HB VAL 104 -11.145 -11.907 4.919 788 HG11 VAL 104 HG11 VAL 104 -13.092 -13.089 5.711 789 HG12 VAL 104 HG12 VAL 104 -14.139 -12.126 4.670 790 HG13 VAL 104 HG13 VAL 104 -12.977 -13.244 3.959 791 HG21 VAL 104 HG21 VAL 104 -11.951 -11.521 2.611 792 HG22 VAL 104 HG22 VAL 104 -12.996 -10.237 3.226 793 HG23 VAL 104 HG23 VAL 104 -11.242 -10.084 3.356 794 H GLN 105 H GLN 105 -9.852 -10.459 5.804 795 HA GLN 105 HA GLN 105 -9.478 -7.644 6.316 796 HB2 GLN 105 HB2 GLN 105 -7.571 -9.931 5.895 797 HB3 GLN 105 HB3 GLN 105 -7.051 -8.289 6.249 798 HG2 GLN 105 HG2 GLN 105 -8.249 -8.374 8.379 799 HG3 GLN 105 HG3 GLN 105 -8.770 -10.018 8.016 800 HE21 GLN 105 HE21 GLN 105 -5.604 -8.820 7.189 801 HE22 GLN 105 HE22 GLN 105 -4.723 -9.771 8.335 802 H VAL 106 H VAL 106 -10.687 -8.326 3.746 803 HA VAL 106 HA VAL 106 -8.847 -8.236 1.618 804 HB VAL 106 HB VAL 106 -11.228 -8.871 1.355 805 HG11 VAL 106 HG11 VAL 106 -11.773 -5.923 1.655 806 HG12 VAL 106 HG12 VAL 106 -12.950 -7.148 1.179 807 HG13 VAL 106 HG13 VAL 106 -12.237 -7.189 2.792 808 HG21 VAL 106 HG21 VAL 106 -9.915 -8.257 -0.618 809 HG22 VAL 106 HG22 VAL 106 -11.607 -7.794 -0.804 810 HG23 VAL 106 HG23 VAL 106 -10.396 -6.571 -0.418 811 H ARG 107 H ARG 107 -9.621 -5.912 3.892 812 HA ARG 107 HA ARG 107 -9.618 -3.520 2.428 813 HB2 ARG 107 HB2 ARG 107 -10.369 -3.839 4.794 814 HB3 ARG 107 HB3 ARG 107 -8.680 -3.959 5.263 815 HG2 ARG 107 HG2 ARG 107 -8.300 -1.680 4.463 816 HG3 ARG 107 HG3 ARG 107 -10.004 -1.561 4.014 817 HD2 ARG 107 HD2 ARG 107 -8.893 -1.972 6.788 818 HD3 ARG 107 HD3 ARG 107 -9.635 -0.502 6.161 819 HE ARG 107 HE ARG 107 -11.163 -3.016 6.382 820 HH11 ARG 107 HH11 ARG 107 -10.707 0.352 7.160 821 HH12 ARG 107 HH12 ARG 107 -12.303 0.575 7.812 822 HH21 ARG 107 HH21 ARG 107 -13.260 -2.779 7.276 823 HH22 ARG 107 HH22 ARG 107 -13.760 -1.222 7.886 824 H GLU 108 H GLU 108 -6.941 -5.261 4.065 825 HA GLU 108 HA GLU 108 -5.120 -3.860 2.270 826 HB2 GLU 108 HB2 GLU 108 -3.543 -3.676 4.382 827 HB3 GLU 108 HB3 GLU 108 -4.694 -2.419 3.961 828 HG2 GLU 108 HG2 GLU 108 -4.784 -2.812 6.309 829 HG3 GLU 108 HG3 GLU 108 -6.283 -3.371 5.575 830 H GLU 109 H GLU 109 -5.970 -6.751 3.833 831 HA GLU 109 HA GLU 109 -3.461 -8.068 3.707 832 HB2 GLU 109 HB2 GLU 109 -5.349 -9.006 4.954 833 HB3 GLU 109 HB3 GLU 109 -6.254 -9.210 3.463 834 HG2 GLU 109 HG2 GLU 109 -4.637 -10.844 2.685 835 HG3 GLU 109 HG3 GLU 109 -3.683 -10.614 4.150 836 H LEU 110 H LEU 110 -5.925 -7.302 1.391 837 HA LEU 110 HA LEU 110 -4.963 -8.877 -0.770 838 HB2 LEU 110 HB2 LEU 110 -7.255 -7.788 -0.517 839 HB3 LEU 110 HB3 LEU 110 -6.491 -6.274 -0.944 840 HG LEU 110 HG LEU 110 -7.743 -7.497 -2.786 841 HD11 LEU 110 HD11 LEU 110 -4.852 -6.790 -3.248 842 HD12 LEU 110 HD12 LEU 110 -6.082 -6.957 -4.502 843 HD13 LEU 110 HD13 LEU 110 -6.225 -5.684 -3.290 844 HD21 LEU 110 HD21 LEU 110 -5.317 -9.276 -2.640 845 HD22 LEU 110 HD22 LEU 110 -6.984 -9.744 -2.303 846 HD23 LEU 110 HD23 LEU 110 -6.513 -9.275 -3.936 847 H LEU 111 H LEU 111 -4.316 -5.638 0.435 848 HA LEU 111 HA LEU 111 -2.720 -4.699 -1.680 849 HB2 LEU 111 HB2 LEU 111 -2.696 -4.002 1.259 850 HB3 LEU 111 HB3 LEU 111 -1.833 -3.108 0.022 851 HG LEU 111 HG LEU 111 -4.833 -3.426 0.160 852 HD11 LEU 111 HD11 LEU 111 -3.967 -2.041 1.975 853 HD12 LEU 111 HD12 LEU 111 -3.073 -1.063 0.809 854 HD13 LEU 111 HD13 LEU 111 -4.837 -1.062 0.791 855 HD21 LEU 111 HD21 LEU 111 -4.854 -1.720 -1.595 856 HD22 LEU 111 HD22 LEU 111 -3.091 -1.750 -1.646 857 HD23 LEU 111 HD23 LEU 111 -4.010 -3.176 -2.124 858 H ARG 112 H ARG 112 -2.068 -6.761 1.039 859 HA ARG 112 HA ARG 112 0.778 -6.856 0.311 860 HB2 ARG 112 HB2 ARG 112 -0.645 -7.742 2.819 861 HB3 ARG 112 HB3 ARG 112 1.072 -7.963 2.515 862 HG2 ARG 112 HG2 ARG 112 -0.188 -5.245 2.438 863 HG3 ARG 112 HG3 ARG 112 0.347 -5.974 3.952 864 HD2 ARG 112 HD2 ARG 112 2.062 -4.502 3.015 865 HD3 ARG 112 HD3 ARG 112 2.610 -6.171 3.083 866 HE ARG 112 HE ARG 112 1.514 -5.248 0.546 867 HH11 ARG 112 HH11 ARG 112 4.352 -5.868 2.503 868 HH12 ARG 112 HH12 ARG 112 5.419 -6.042 1.135 869 HH21 ARG 112 HH21 ARG 112 2.918 -5.428 -1.263 870 HH22 ARG 112 HH22 ARG 112 4.603 -5.778 -1.002 871 H ALA 113 H ALA 113 -0.615 -8.040 -1.504 872 HA ALA 113 HA ALA 113 -1.363 -10.721 -1.119 873 HB1 ALA 113 HB1 ALA 113 -1.289 -10.905 -3.544 874 HB2 ALA 113 HB2 ALA 113 -2.049 -9.387 -3.063 875 HB3 ALA 113 HB3 ALA 113 -0.385 -9.394 -3.645 876 H GLN 114 H GLN 114 -0.295 -12.638 -1.623 877 HA GLN 114 HA GLN 114 2.640 -12.461 -1.461 878 HB2 GLN 114 HB2 GLN 114 2.501 -14.623 -0.186 879 HB3 GLN 114 HB3 GLN 114 1.812 -13.237 0.649 880 HG2 GLN 114 HG2 GLN 114 -0.435 -13.963 -0.110 881 HG3 GLN 114 HG3 GLN 114 0.308 -15.404 -0.800 882 HE21 GLN 114 HE21 GLN 114 2.239 -15.643 1.380 883 HE22 GLN 114 HE22 GLN 114 1.353 -16.246 2.737 884 H GLU 115 H GLU 115 1.062 -12.615 -3.871 885 HA GLU 115 HA GLU 115 1.067 -15.368 -4.740 886 HB2 GLU 115 HB2 GLU 115 0.536 -12.873 -6.357 887 HB3 GLU 115 HB3 GLU 115 0.156 -14.524 -6.823 888 HG2 GLU 115 HG2 GLU 115 -1.385 -14.653 -4.879 889 HG3 GLU 115 HG3 GLU 115 -1.085 -12.940 -4.592 890 H ALA 116 H ALA 116 2.595 -16.373 -5.819 891 HA ALA 116 HA ALA 116 4.667 -14.807 -7.203 892 HB1 ALA 116 HB1 ALA 116 5.605 -15.594 -5.090 893 HB2 ALA 116 HB2 ALA 116 5.152 -17.250 -5.491 894 HB3 ALA 116 HB3 ALA 116 6.365 -16.408 -6.456 895 HA PRO 117 HA PRO 117 2.973 -17.731 -10.204 896 HB2 PRO 117 HB2 PRO 117 3.410 -16.226 -12.383 897 HB3 PRO 117 HB3 PRO 117 2.088 -15.882 -11.261 898 HG2 PRO 117 HG2 PRO 117 4.743 -14.537 -11.529 899 HG3 PRO 117 HG3 PRO 117 3.153 -13.829 -11.193 900 HD2 PRO 117 HD2 PRO 117 5.083 -14.367 -9.283 901 HD3 PRO 117 HD3 PRO 117 3.352 -14.179 -8.951 902 H GLY 118 H GLY 118 4.958 -18.985 -9.491 903 HA2 GLY 118 HA2 GLY 118 6.371 -20.469 -10.792 904 HA3 GLY 118 HA3 GLY 118 6.838 -19.080 -11.762 905 H GLN 119 H GLN 119 8.986 -18.996 -11.457 906 HA GLN 119 HA GLN 119 9.894 -18.294 -8.776 907 HB2 GLN 119 HB2 GLN 119 10.252 -20.742 -9.010 908 HB3 GLN 119 HB3 GLN 119 11.246 -20.440 -10.427 909 HG2 GLN 119 HG2 GLN 119 12.627 -20.840 -8.483 910 HG3 GLN 119 HG3 GLN 119 12.827 -19.184 -9.055 911 HE21 GLN 119 HE21 GLN 119 10.058 -20.310 -7.248 912 HE22 GLN 119 HE22 GLN 119 10.379 -19.396 -5.809 913 H ALA 120 H ALA 120 11.490 -16.784 -8.783 914 HA ALA 120 HA ALA 120 12.509 -15.947 -11.413 915 HB1 ALA 120 HB1 ALA 120 12.787 -13.724 -10.480 916 HB2 ALA 120 HB2 ALA 120 11.126 -14.269 -10.250 917 HB3 ALA 120 HB3 ALA 120 12.256 -14.296 -8.897 918 H1 GLN 1 HT1 GLN 1 -18.609 23.398 -2.754 919 H2 GLN 1 HT2 GLN 1 -17.977 24.393 -3.965 920 H3 GLN 1 HT3 GLN 1 -18.452 25.064 -2.482 921 HA GLN 1 HA GLN 1 -16.183 23.233 -2.993 922 HB2 GLN 1 HB2 GLN 1 -15.746 25.572 -3.562 923 HB3 GLN 1 HB3 GLN 1 -16.316 26.081 -1.974 924 HG2 GLN 1 HG2 GLN 1 -13.931 26.127 -1.977 925 HG3 GLN 1 HG3 GLN 1 -14.460 24.796 -0.951 926 HE21 GLN 1 HE21 GLN 1 -12.925 25.697 -3.921 927 HE22 GLN 1 HE22 GLN 1 -12.268 24.139 -4.295 928 H ASP 2 H ASP 2 -16.247 21.696 -1.482 929 HA ASP 2 HA ASP 2 -16.917 22.337 1.280 930 HB2 ASP 2 HB2 ASP 2 -16.171 19.770 -0.133 931 HB3 ASP 2 HB3 ASP 2 -16.252 19.867 1.623 932 H THR 3 H THR 3 -14.301 20.324 0.090 933 HA THR 3 HA THR 3 -12.265 22.214 0.924 934 HB THR 3 HB THR 3 -12.200 19.395 2.024 935 HG1 THR 3 HG1 THR 3 -13.417 21.712 3.033 936 HG21 THR 3 HG21 THR 3 -10.472 20.317 3.500 937 HG22 THR 3 HG22 THR 3 -10.038 20.512 1.803 938 HG23 THR 3 HG23 THR 3 -10.646 21.891 2.718 939 H ARG 4 H ARG 4 -10.416 21.961 -0.314 940 HA ARG 4 HA ARG 4 -10.470 19.721 -2.213 941 HB2 ARG 4 HB2 ARG 4 -10.612 21.814 -3.396 942 HB3 ARG 4 HB3 ARG 4 -9.245 22.471 -2.501 943 HG2 ARG 4 HG2 ARG 4 -7.825 20.683 -3.507 944 HG3 ARG 4 HG3 ARG 4 -9.198 20.239 -4.516 945 HD2 ARG 4 HD2 ARG 4 -9.109 22.228 -5.724 946 HD3 ARG 4 HD3 ARG 4 -8.159 23.047 -4.478 947 HE ARG 4 HE ARG 4 -6.346 21.397 -5.121 948 HH11 ARG 4 HH11 ARG 4 -8.729 22.536 -7.416 949 HH12 ARG 4 HH12 ARG 4 -7.701 22.270 -8.795 950 HH21 ARG 4 HH21 ARG 4 -4.994 21.093 -6.898 951 HH22 ARG 4 HH22 ARG 4 -5.555 21.503 -8.495 952 H LEU 5 H LEU 5 -8.746 18.427 -2.438 953 HA LEU 5 HA LEU 5 -6.387 18.954 -0.769 954 HB2 LEU 5 HB2 LEU 5 -7.630 16.443 -1.838 955 HB3 LEU 5 HB3 LEU 5 -5.925 16.474 -1.470 956 HG LEU 5 HG LEU 5 -7.089 15.513 0.388 957 HD11 LEU 5 HD11 LEU 5 -6.441 17.031 2.196 958 HD12 LEU 5 HD12 LEU 5 -5.200 16.925 0.947 959 HD13 LEU 5 HD13 LEU 5 -6.254 18.336 1.024 960 HD21 LEU 5 HD21 LEU 5 -9.310 16.423 -0.016 961 HD22 LEU 5 HD22 LEU 5 -8.803 16.727 1.646 962 HD23 LEU 5 HD23 LEU 5 -8.751 18.028 0.457 Start of MODEL 10 1 H1 GLY 4 HT1 GLY 4 -22.309 -18.435 -0.066 2 H2 GLY 4 HT2 GLY 4 -22.920 -19.906 0.501 3 H3 GLY 4 HT3 GLY 4 -21.315 -19.810 -0.037 4 HA2 GLY 4 HA3 GLY 4 -22.429 -18.397 2.325 5 HA3 GLY 4 HA2 GLY 4 -21.456 -19.859 2.389 6 H ILE 5 H ILE 5 -19.254 -19.751 1.677 7 HA ILE 5 HA ILE 5 -18.022 -17.237 2.379 8 HB ILE 5 HB ILE 5 -17.077 -19.352 3.172 9 HG12 ILE 5 HG12 ILE 5 -15.636 -17.260 2.609 10 HG13 ILE 5 HG13 ILE 5 -14.834 -18.775 2.996 11 HG21 ILE 5 HG21 ILE 5 -16.495 -19.939 0.280 12 HG22 ILE 5 HG22 ILE 5 -15.891 -20.871 1.652 13 HG23 ILE 5 HG23 ILE 5 -17.624 -20.795 1.330 14 HD11 ILE 5 HD11 ILE 5 -13.755 -17.661 1.138 15 HD12 ILE 5 HD12 ILE 5 -14.474 -19.183 0.609 16 HD13 ILE 5 HD13 ILE 5 -15.271 -17.654 0.236 17 H ASP 6 H ASP 6 -17.112 -15.788 1.031 18 HA ASP 6 HA ASP 6 -17.345 -16.349 -1.850 19 HB2 ASP 6 HB2 ASP 6 -18.077 -13.924 -0.260 20 HB3 ASP 6 HB3 ASP 6 -17.540 -13.723 -1.925 21 HA PRO 7 HA PRO 7 -12.986 -15.589 -2.268 22 HB2 PRO 7 HB2 PRO 7 -13.871 -14.632 -4.942 23 HB3 PRO 7 HB3 PRO 7 -12.630 -15.827 -4.527 24 HG2 PRO 7 HG2 PRO 7 -14.953 -16.634 -5.487 25 HG3 PRO 7 HG3 PRO 7 -14.203 -17.504 -4.134 26 HD2 PRO 7 HD2 PRO 7 -16.452 -15.521 -4.095 27 HD3 PRO 7 HD3 PRO 7 -16.289 -17.053 -3.207 28 H PHE 8 H PHE 8 -11.554 -13.834 -3.081 29 HA PHE 8 HA PHE 8 -12.461 -11.309 -2.011 30 HB2 PHE 8 HB2 PHE 8 -9.807 -12.189 -3.159 31 HB3 PHE 8 HB3 PHE 8 -10.111 -10.577 -2.519 32 HD1 PHE 8 HD1 PHE 8 -10.736 -10.328 -0.116 33 HD2 PHE 8 HD2 PHE 8 -9.282 -13.979 -1.736 34 HE1 PHE 8 HE1 PHE 8 -10.170 -11.104 2.153 35 HE2 PHE 8 HE2 PHE 8 -8.714 -14.765 0.524 36 HZ PHE 8 HZ PHE 8 -9.157 -13.327 2.474 37 H THR 9 H THR 9 -14.033 -10.712 -3.480 38 HA THR 9 HA THR 9 -13.072 -9.978 -6.156 39 HB THR 9 HB THR 9 -14.925 -11.521 -6.275 40 HG1 THR 9 HG1 THR 9 -16.533 -10.005 -7.276 41 HG21 THR 9 HG21 THR 9 -16.407 -9.583 -4.494 42 HG22 THR 9 HG22 THR 9 -17.145 -10.952 -5.332 43 HG23 THR 9 HG23 THR 9 -15.914 -11.234 -4.100 44 H MET 10 H MET 10 -13.446 -7.921 -6.945 45 HA MET 10 HA MET 10 -13.500 -5.657 -6.836 46 HB2 MET 10 HB2 MET 10 -15.757 -6.235 -4.906 47 HB3 MET 10 HB3 MET 10 -15.406 -4.650 -5.582 48 HG2 MET 10 HG2 MET 10 -15.823 -5.515 -7.826 49 HG3 MET 10 HG3 MET 10 -16.172 -7.103 -7.148 50 HE1 MET 10 HE1 MET 10 -18.481 -7.181 -8.409 51 HE2 MET 10 HE2 MET 10 -19.705 -5.914 -8.308 52 HE3 MET 10 HE3 MET 10 -18.168 -5.595 -9.114 53 H LEU 11 H LEU 11 -11.521 -6.752 -5.378 54 HA LEU 11 HA LEU 11 -11.510 -5.933 -2.667 55 HB2 LEU 11 HB2 LEU 11 -8.995 -6.410 -2.847 56 HB3 LEU 11 HB3 LEU 11 -10.115 -7.736 -3.007 57 HG LEU 11 HG LEU 11 -8.178 -7.871 -4.526 58 HD11 LEU 11 HD11 LEU 11 -10.209 -9.036 -5.096 59 HD12 LEU 11 HD12 LEU 11 -10.822 -7.600 -5.920 60 HD13 LEU 11 HD13 LEU 11 -9.402 -8.439 -6.549 61 HD21 LEU 11 HD21 LEU 11 -9.374 -5.466 -5.880 62 HD22 LEU 11 HD22 LEU 11 -7.883 -5.485 -4.940 63 HD23 LEU 11 HD23 LEU 11 -7.991 -6.405 -6.443 64 HA PRO 12 HA PRO 12 -10.418 -1.767 -2.716 65 HB2 PRO 12 HB2 PRO 12 -8.483 -1.527 -0.809 66 HB3 PRO 12 HB3 PRO 12 -10.190 -1.797 -0.443 67 HG2 PRO 12 HG2 PRO 12 -7.939 -3.760 -0.538 68 HG3 PRO 12 HG3 PRO 12 -9.263 -3.628 0.635 69 HD2 PRO 12 HD2 PRO 12 -9.271 -5.447 -1.363 70 HD3 PRO 12 HD3 PRO 12 -10.761 -4.702 -0.751 71 H ARG 13 H ARG 13 -8.890 -0.139 -3.232 72 HA ARG 13 HA ARG 13 -6.569 -1.165 -4.723 73 HB2 ARG 13 HB2 ARG 13 -6.894 0.840 -6.196 74 HB3 ARG 13 HB3 ARG 13 -8.200 -0.336 -6.268 75 HG2 ARG 13 HG2 ARG 13 -9.439 1.095 -4.613 76 HG3 ARG 13 HG3 ARG 13 -8.192 2.318 -4.859 77 HD2 ARG 13 HD2 ARG 13 -10.160 2.741 -6.247 78 HD3 ARG 13 HD3 ARG 13 -8.738 2.406 -7.234 79 HE ARG 13 HE ARG 13 -9.636 0.246 -7.716 80 HH11 ARG 13 HH11 ARG 13 -11.844 2.408 -6.074 81 HH12 ARG 13 HH12 ARG 13 -13.269 1.501 -6.501 82 HH21 ARG 13 HH21 ARG 13 -11.475 -0.941 -8.298 83 HH22 ARG 13 HH22 ARG 13 -13.051 -0.425 -7.764 84 H LEU 14 H LEU 14 -4.630 -0.415 -4.182 85 HA LEU 14 HA LEU 14 -4.433 1.616 -2.116 86 HB2 LEU 14 HB2 LEU 14 -3.090 -0.455 -1.979 87 HB3 LEU 14 HB3 LEU 14 -2.271 -0.008 -3.465 88 HG LEU 14 HG LEU 14 -1.284 1.934 -2.382 89 HD11 LEU 14 HD11 LEU 14 -3.063 2.509 -0.857 90 HD12 LEU 14 HD12 LEU 14 -2.809 1.017 0.052 91 HD13 LEU 14 HD13 LEU 14 -1.565 2.270 0.043 92 HD21 LEU 14 HD21 LEU 14 -0.948 -0.602 -0.783 93 HD22 LEU 14 HD22 LEU 14 -0.069 -0.162 -2.247 94 HD23 LEU 14 HD23 LEU 14 0.160 0.770 -0.768 95 H CYS 15 H CYS 15 -4.087 3.708 -2.547 96 HA CYS 15 HA CYS 15 -3.221 4.377 -5.277 97 HB2 CYS 15 HB2 CYS 15 -5.164 5.862 -3.499 98 HB3 CYS 15 HB3 CYS 15 -4.625 6.402 -5.087 99 HG CYS 15 HG CYS 15 -5.782 4.296 -6.475 100 H CYS 16 H CYS 16 -1.338 5.358 -5.394 101 HA CYS 16 HA CYS 16 -0.505 7.052 -3.143 102 HB2 CYS 16 HB2 CYS 16 1.786 6.906 -4.249 103 HB3 CYS 16 HB3 CYS 16 1.172 5.422 -3.528 104 HG CYS 16 HG CYS 16 0.158 4.670 -6.223 105 H LEU 17 H LEU 17 -1.110 9.071 -3.442 106 HA LEU 17 HA LEU 17 -1.433 10.110 -6.140 107 HB2 LEU 17 HB2 LEU 17 -2.199 11.160 -3.426 108 HB3 LEU 17 HB3 LEU 17 -2.297 12.153 -4.865 109 HG LEU 17 HG LEU 17 -3.833 10.385 -5.835 110 HD11 LEU 17 HD11 LEU 17 -4.979 8.921 -4.295 111 HD12 LEU 17 HD12 LEU 17 -3.251 8.566 -4.318 112 HD13 LEU 17 HD13 LEU 17 -3.948 9.473 -2.974 113 HD21 LEU 17 HD21 LEU 17 -5.779 11.215 -4.599 114 HD22 LEU 17 HD22 LEU 17 -4.697 11.886 -3.379 115 HD23 LEU 17 HD23 LEU 17 -4.657 12.507 -5.028 116 H GLU 18 H GLU 18 -0.203 11.615 -7.068 117 HA GLU 18 HA GLU 18 2.248 12.432 -5.752 118 HB2 GLU 18 HB2 GLU 18 1.277 13.229 -8.499 119 HB3 GLU 18 HB3 GLU 18 2.923 13.299 -7.886 120 HG2 GLU 18 HG2 GLU 18 3.023 10.869 -7.842 121 HG3 GLU 18 HG3 GLU 18 1.358 10.783 -8.422 122 H LYS 19 H LYS 19 2.665 14.466 -5.019 123 HA LYS 19 HA LYS 19 0.567 16.354 -4.719 124 HB2 LYS 19 HB2 LYS 19 2.348 16.287 -3.093 125 HB3 LYS 19 HB3 LYS 19 3.556 16.607 -4.328 126 HG2 LYS 19 HG2 LYS 19 3.188 18.602 -3.059 127 HG3 LYS 19 HG3 LYS 19 2.535 18.838 -4.681 128 HD2 LYS 19 HD2 LYS 19 1.021 19.728 -2.989 129 HD3 LYS 19 HD3 LYS 19 0.284 18.371 -3.841 130 HE2 LYS 19 HE2 LYS 19 -0.149 18.225 -1.458 131 HE3 LYS 19 HE3 LYS 19 0.873 16.889 -1.984 132 HZ1 LYS 19 HZ1 LYS 19 1.844 17.640 -0.017 133 HZ2 LYS 19 HZ2 LYS 19 2.795 18.359 -1.221 134 HZ3 LYS 19 HZ3 LYS 19 1.628 19.279 -0.406 135 H GLY 20 H GLY 20 -0.278 17.331 -6.414 136 HA2 GLY 20 HA2 GLY 20 1.323 18.028 -8.726 137 HA3 GLY 20 HA3 GLY 20 -0.405 18.293 -8.528 138 HA PRO 21 HA PRO 21 1.630 22.435 -8.483 139 HB2 PRO 21 HB2 PRO 21 -0.724 23.698 -9.216 140 HB3 PRO 21 HB3 PRO 21 0.516 23.128 -10.336 141 HG2 PRO 21 HG2 PRO 21 -2.048 21.826 -9.521 142 HG3 PRO 21 HG3 PRO 21 -1.282 21.897 -11.121 143 HD2 PRO 21 HD2 PRO 21 -1.151 19.688 -9.610 144 HD3 PRO 21 HD3 PRO 21 0.222 20.205 -10.612 145 H ASN 22 H ASN 22 -1.728 21.868 -7.380 146 HA ASN 22 HA ASN 22 -0.999 23.097 -4.823 147 HB2 ASN 22 HB2 ASN 22 -3.270 23.930 -6.608 148 HB3 ASN 22 HB3 ASN 22 -3.374 24.149 -4.865 149 HD21 ASN 22 HD21 ASN 22 -1.957 25.238 -7.808 150 HD22 ASN 22 HD22 ASN 22 -1.129 26.609 -7.141 151 H GLY 23 H GLY 23 -1.006 20.516 -4.812 152 HA2 GLY 23 HA2 GLY 23 -2.123 19.269 -3.003 153 HA3 GLY 23 HA3 GLY 23 -3.648 19.781 -3.716 154 H TYR 24 H TYR 24 -4.617 18.022 -4.524 155 HA TYR 24 HA TYR 24 -2.952 16.152 -6.079 156 HB2 TYR 24 HB2 TYR 24 -5.141 15.335 -4.162 157 HB3 TYR 24 HB3 TYR 24 -4.097 14.259 -5.089 158 HD1 TYR 24 HD2 TYR 24 -1.620 14.264 -4.598 159 HD2 TYR 24 HD1 TYR 24 -4.461 16.170 -2.076 160 HE1 TYR 24 HE2 TYR 24 0.036 14.316 -2.784 161 HE2 TYR 24 HE1 TYR 24 -2.816 16.235 -0.256 162 HH TYR 24 HH TYR 24 -0.805 15.080 0.443 163 H GLY 25 H GLY 25 -6.071 17.661 -5.599 164 HA2 GLY 25 HA2 GLY 25 -7.080 18.536 -7.611 165 HA3 GLY 25 HA3 GLY 25 -6.552 17.089 -8.451 166 H PHE 26 H PHE 26 -8.078 16.914 -5.267 167 HA PHE 26 HA PHE 26 -10.593 16.216 -6.613 168 HB2 PHE 26 HB2 PHE 26 -10.943 14.296 -5.128 169 HB3 PHE 26 HB3 PHE 26 -9.509 14.087 -6.125 170 HD1 PHE 26 HD1 PHE 26 -7.245 14.462 -5.072 171 HD2 PHE 26 HD2 PHE 26 -10.835 14.183 -2.795 172 HE1 PHE 26 HE1 PHE 26 -5.928 13.952 -3.061 173 HE2 PHE 26 HE2 PHE 26 -9.517 13.678 -0.781 174 HZ PHE 26 HZ PHE 26 -7.063 13.560 -0.914 175 H HIS 27 H HIS 27 -12.398 16.023 -4.953 176 HA HIS 27 HA HIS 27 -12.047 18.198 -2.994 177 HB2 HIS 27 HB2 HIS 27 -14.500 17.421 -4.590 178 HB3 HIS 27 HB3 HIS 27 -14.513 18.590 -3.275 179 HD1 HIS 27 HD1 HIS 27 -14.177 20.944 -3.944 180 HD2 HIS 27 HD2 HIS 27 -12.683 18.287 -6.780 181 HE1 HIS 27 HE1 HIS 27 -13.403 22.366 -5.876 182 HE2 HIS 27 HE2 HIS 27 -12.349 20.749 -7.505 183 H LEU 28 H LEU 28 -12.095 17.524 -0.967 184 HA LEU 28 HA LEU 28 -13.285 14.900 -0.402 185 HB2 LEU 28 HB2 LEU 28 -10.852 15.472 0.152 186 HB3 LEU 28 HB3 LEU 28 -11.487 16.516 1.405 187 HG LEU 28 HG LEU 28 -10.690 14.253 2.167 188 HD11 LEU 28 HD11 LEU 28 -13.572 14.927 2.718 189 HD12 LEU 28 HD12 LEU 28 -12.558 13.861 3.691 190 HD13 LEU 28 HD13 LEU 28 -12.165 15.576 3.561 191 HD21 LEU 28 HD21 LEU 28 -11.503 12.932 0.303 192 HD22 LEU 28 HD22 LEU 28 -12.182 12.347 1.824 193 HD23 LEU 28 HD23 LEU 28 -13.169 13.322 0.734 194 H HIS 29 H HIS 29 -15.173 14.807 0.588 195 HA HIS 29 HA HIS 29 -15.985 17.100 2.262 196 HB2 HIS 29 HB2 HIS 29 -17.486 15.492 0.263 197 HB3 HIS 29 HB3 HIS 29 -18.353 15.949 1.725 198 HD1 HIS 29 HD1 HIS 29 -19.498 18.114 1.588 199 HD2 HIS 29 HD2 HIS 29 -16.240 17.913 -0.990 200 HE1 HIS 29 HE1 HIS 29 -19.491 20.297 0.328 201 HE2 HIS 29 HE2 HIS 29 -17.577 20.102 -1.311 202 H GLY 30 H GLY 30 -16.830 16.649 4.280 203 HA2 GLY 30 HA2 GLY 30 -16.852 13.797 5.060 204 HA3 GLY 30 HA3 GLY 30 -16.326 15.090 6.136 205 H GLU 31 H GLU 31 -18.711 13.032 5.851 206 HA GLU 31 HA GLU 31 -20.822 15.014 6.359 207 HB2 GLU 31 HB2 GLU 31 -21.078 12.168 5.373 208 HB3 GLU 31 HB3 GLU 31 -22.426 13.250 5.702 209 HG2 GLU 31 HG2 GLU 31 -21.478 14.811 3.993 210 HG3 GLU 31 HG3 GLU 31 -20.310 13.558 3.586 211 H LYS 32 H LYS 32 -22.275 14.673 8.033 212 HA LYS 32 HA LYS 32 -22.955 14.134 10.117 213 HB2 LYS 32 HB2 LYS 32 -21.254 11.670 9.725 214 HB3 LYS 32 HB3 LYS 32 -22.260 11.952 11.139 215 HG2 LYS 32 HG2 LYS 32 -23.196 11.663 8.293 216 HG3 LYS 32 HG3 LYS 32 -23.402 10.498 9.601 217 HD2 LYS 32 HD2 LYS 32 -24.598 13.265 9.470 218 HD3 LYS 32 HD3 LYS 32 -25.460 11.744 9.226 219 HE2 LYS 32 HE2 LYS 32 -25.005 11.084 11.513 220 HE3 LYS 32 HE3 LYS 32 -24.047 12.541 11.769 221 HZ1 LYS 32 HZ1 LYS 32 -26.065 13.854 11.364 222 HZ2 LYS 32 HZ2 LYS 32 -26.966 12.423 11.229 223 HZ3 LYS 32 HZ3 LYS 32 -26.223 12.821 12.700 224 H GLY 33 H GLY 33 -19.469 13.408 9.800 225 HA2 GLY 33 HA2 GLY 33 -18.183 15.365 10.857 226 HA3 GLY 33 HA3 GLY 33 -19.072 14.914 12.302 227 H LYS 34 H LYS 34 -18.726 12.019 11.144 228 HA LYS 34 HA LYS 34 -15.904 11.647 11.826 229 HB2 LYS 34 HB2 LYS 34 -18.253 10.387 13.212 230 HB3 LYS 34 HB3 LYS 34 -16.703 9.557 13.140 231 HG2 LYS 34 HG2 LYS 34 -17.068 12.324 14.256 232 HG3 LYS 34 HG3 LYS 34 -17.099 10.848 15.227 233 HD2 LYS 34 HD2 LYS 34 -14.836 10.302 14.343 234 HD3 LYS 34 HD3 LYS 34 -14.814 11.878 13.550 235 HE2 LYS 34 HE2 LYS 34 -14.929 13.004 15.675 236 HE3 LYS 34 HE3 LYS 34 -15.144 11.472 16.519 237 HZ1 LYS 34 HZ1 LYS 34 -12.862 12.273 16.671 238 HZ2 LYS 34 HZ2 LYS 34 -12.930 10.806 15.832 239 HZ3 LYS 34 HZ3 LYS 34 -12.723 12.254 14.987 240 H LEU 35 H LEU 35 -18.685 9.506 11.296 241 HA LEU 35 HA LEU 35 -17.014 7.828 9.634 242 HB2 LEU 35 HB2 LEU 35 -19.922 7.503 10.349 243 HB3 LEU 35 HB3 LEU 35 -18.886 6.289 9.625 244 HG LEU 35 HG LEU 35 -18.574 7.429 12.402 245 HD11 LEU 35 HD11 LEU 35 -20.520 5.991 12.189 246 HD12 LEU 35 HD12 LEU 35 -19.525 4.737 11.446 247 HD13 LEU 35 HD13 LEU 35 -19.257 5.198 13.129 248 HD21 LEU 35 HD21 LEU 35 -16.424 6.818 11.450 249 HD22 LEU 35 HD22 LEU 35 -16.897 5.656 12.688 250 HD23 LEU 35 HD23 LEU 35 -17.057 5.240 10.981 251 H GLY 36 H GLY 36 -16.771 8.231 7.571 252 HA2 GLY 36 HA2 GLY 36 -17.960 7.909 5.433 253 HA3 GLY 36 HA3 GLY 36 -19.165 9.032 6.035 254 H GLN 37 H GLN 37 -15.800 8.752 5.001 255 HA GLN 37 HA GLN 37 -15.789 11.618 4.355 256 HB2 GLN 37 HB2 GLN 37 -13.503 9.648 4.111 257 HB3 GLN 37 HB3 GLN 37 -13.406 11.403 4.045 258 HG2 GLN 37 HG2 GLN 37 -14.131 9.740 6.445 259 HG3 GLN 37 HG3 GLN 37 -12.608 10.581 6.170 260 HE21 GLN 37 HE21 GLN 37 -14.603 10.821 8.320 261 HE22 GLN 37 HE22 GLN 37 -15.062 12.483 8.351 262 H TYR 38 H TYR 38 -16.291 12.207 2.308 263 HA TYR 38 HA TYR 38 -16.254 10.075 0.283 264 HB2 TYR 38 HB2 TYR 38 -18.425 12.054 0.917 265 HB3 TYR 38 HB3 TYR 38 -18.323 11.273 -0.657 266 HD1 TYR 38 HD1 TYR 38 -18.519 8.794 -0.807 267 HD2 TYR 38 HD2 TYR 38 -19.287 10.903 2.808 268 HE1 TYR 38 HE1 TYR 38 -19.729 6.843 0.067 269 HE2 TYR 38 HE2 TYR 38 -20.496 8.952 3.694 270 HH TYR 38 HH TYR 38 -21.776 6.946 2.626 271 H ILE 39 H ILE 39 -15.511 10.514 -1.642 272 HA ILE 39 HA ILE 39 -14.297 13.071 -2.188 273 HB ILE 39 HB ILE 39 -14.638 10.650 -3.974 274 HG12 ILE 39 HG12 ILE 39 -13.430 10.128 -1.890 275 HG13 ILE 39 HG13 ILE 39 -12.405 9.993 -3.311 276 HG21 ILE 39 HG21 ILE 39 -14.105 12.722 -5.190 277 HG22 ILE 39 HG22 ILE 39 -12.649 12.905 -4.205 278 HG23 ILE 39 HG23 ILE 39 -12.820 11.514 -5.285 279 HD11 ILE 39 HD11 ILE 39 -12.437 12.269 -1.350 280 HD12 ILE 39 HD12 ILE 39 -11.213 11.009 -1.487 281 HD13 ILE 39 HD13 ILE 39 -11.426 12.173 -2.793 282 H ARG 40 H ARG 40 -15.270 14.712 -3.257 283 HA ARG 40 HA ARG 40 -17.984 14.282 -4.215 284 HB2 ARG 40 HB2 ARG 40 -17.484 16.242 -2.790 285 HB3 ARG 40 HB3 ARG 40 -16.404 16.855 -4.038 286 HG2 ARG 40 HG2 ARG 40 -18.334 16.919 -5.597 287 HG3 ARG 40 HG3 ARG 40 -19.379 16.458 -4.254 288 HD2 ARG 40 HD2 ARG 40 -18.733 18.485 -3.052 289 HD3 ARG 40 HD3 ARG 40 -17.671 18.938 -4.388 290 HE ARG 40 HE ARG 40 -20.315 18.492 -5.316 291 HH11 ARG 40 HH11 ARG 40 -18.372 20.865 -3.584 292 HH12 ARG 40 HH12 ARG 40 -19.378 22.202 -4.071 293 HH21 ARG 40 HH21 ARG 40 -21.608 20.244 -5.940 294 HH22 ARG 40 HH22 ARG 40 -21.230 21.847 -5.386 295 H LEU 41 H LEU 41 -14.963 15.646 -5.501 296 HA LEU 41 HA LEU 41 -15.739 14.833 -8.182 297 HB2 LEU 41 HB2 LEU 41 -16.703 17.069 -7.961 298 HB3 LEU 41 HB3 LEU 41 -15.156 17.703 -7.440 299 HG LEU 41 HG LEU 41 -14.218 17.132 -9.677 300 HD11 LEU 41 HD11 LEU 41 -17.095 16.538 -10.353 301 HD12 LEU 41 HD12 LEU 41 -15.763 16.649 -11.504 302 HD13 LEU 41 HD13 LEU 41 -15.775 15.369 -10.292 303 HD21 LEU 41 HD21 LEU 41 -14.964 19.385 -9.179 304 HD22 LEU 41 HD22 LEU 41 -15.315 18.972 -10.857 305 HD23 LEU 41 HD23 LEU 41 -16.610 18.964 -9.658 306 H VAL 42 H VAL 42 -14.015 14.495 -9.523 307 HA VAL 42 HA VAL 42 -11.338 15.012 -8.407 308 HB VAL 42 HB VAL 42 -12.164 12.763 -10.259 309 HG11 VAL 42 HG11 VAL 42 -9.509 13.373 -8.964 310 HG12 VAL 42 HG12 VAL 42 -9.886 11.912 -9.877 311 HG13 VAL 42 HG13 VAL 42 -9.885 13.480 -10.684 312 HG21 VAL 42 HG21 VAL 42 -11.414 12.718 -7.339 313 HG22 VAL 42 HG22 VAL 42 -13.009 12.389 -8.020 314 HG23 VAL 42 HG23 VAL 42 -11.666 11.293 -8.347 315 H GLU 43 H GLU 43 -10.047 16.266 -9.606 316 HA GLU 43 HA GLU 43 -11.077 17.535 -11.940 317 HB2 GLU 43 HB2 GLU 43 -9.649 18.626 -10.189 318 HB3 GLU 43 HB3 GLU 43 -8.293 17.666 -10.762 319 HG2 GLU 43 HG2 GLU 43 -8.288 18.760 -12.855 320 HG3 GLU 43 HG3 GLU 43 -9.841 19.524 -12.522 321 HA PRO 44 HA PRO 44 -9.661 14.640 -14.978 322 HB2 PRO 44 HB2 PRO 44 -9.436 16.397 -17.083 323 HB3 PRO 44 HB3 PRO 44 -10.961 15.684 -16.540 324 HG2 PRO 44 HG2 PRO 44 -9.792 18.370 -15.916 325 HG3 PRO 44 HG3 PRO 44 -11.462 17.944 -16.321 326 HD2 PRO 44 HD2 PRO 44 -10.736 18.399 -13.794 327 HD3 PRO 44 HD3 PRO 44 -11.904 17.122 -14.195 328 H GLY 45 H GLY 45 -7.926 17.505 -14.141 329 HA2 GLY 45 HA2 GLY 45 -5.478 16.379 -15.339 330 HA3 GLY 45 HA3 GLY 45 -5.721 18.085 -14.988 331 H SER 46 H SER 46 -6.301 15.202 -13.003 332 HA SER 46 HA SER 46 -4.467 16.339 -10.993 333 HB2 SER 46 HB2 SER 46 -5.915 15.422 -9.272 334 HB3 SER 46 HB3 SER 46 -6.883 16.415 -10.363 335 HG SER 46 HG SER 46 -7.814 14.643 -11.188 336 HA PRO 47 HA PRO 47 -2.352 12.373 -11.083 337 HB2 PRO 47 HB2 PRO 47 -1.659 12.902 -8.274 338 HB3 PRO 47 HB3 PRO 47 -0.598 12.710 -9.671 339 HG2 PRO 47 HG2 PRO 47 -0.973 15.094 -8.485 340 HG3 PRO 47 HG3 PRO 47 -0.712 14.943 -10.233 341 HD2 PRO 47 HD2 PRO 47 -3.261 15.374 -8.720 342 HD3 PRO 47 HD3 PRO 47 -2.720 16.101 -10.249 343 H ALA 48 H ALA 48 -4.819 13.324 -8.910 344 HA ALA 48 HA ALA 48 -5.112 11.052 -7.308 345 HB1 ALA 48 HB1 ALA 48 -7.367 11.850 -6.881 346 HB2 ALA 48 HB2 ALA 48 -6.224 13.193 -6.862 347 HB3 ALA 48 HB3 ALA 48 -7.263 12.938 -8.264 348 H GLU 49 H GLU 49 -6.731 11.887 -10.392 349 HA GLU 49 HA GLU 49 -8.248 9.511 -10.476 350 HB2 GLU 49 HB2 GLU 49 -8.623 10.091 -12.889 351 HB3 GLU 49 HB3 GLU 49 -9.051 11.342 -11.738 352 HG2 GLU 49 HG2 GLU 49 -7.983 12.638 -13.232 353 HG3 GLU 49 HG3 GLU 49 -6.573 12.139 -12.301 354 H LYS 50 H LYS 50 -4.993 10.223 -11.547 355 HA LYS 50 HA LYS 50 -4.601 7.868 -13.069 356 HB2 LYS 50 HB2 LYS 50 -2.584 9.470 -11.491 357 HB3 LYS 50 HB3 LYS 50 -2.189 8.219 -12.658 358 HG2 LYS 50 HG2 LYS 50 -3.453 9.634 -14.355 359 HG3 LYS 50 HG3 LYS 50 -3.380 10.924 -13.151 360 HD2 LYS 50 HD2 LYS 50 -1.047 9.468 -14.387 361 HD3 LYS 50 HD3 LYS 50 -1.527 11.138 -14.689 362 HE2 LYS 50 HE2 LYS 50 -0.982 11.767 -12.444 363 HE3 LYS 50 HE3 LYS 50 -0.711 10.087 -11.989 364 HZ1 LYS 50 HZ1 LYS 50 1.377 11.199 -12.344 365 HZ2 LYS 50 HZ2 LYS 50 1.150 10.023 -13.549 366 HZ3 LYS 50 HZ3 LYS 50 0.911 11.661 -13.912 367 H ALA 51 H ALA 51 -4.302 8.596 -9.643 368 HA ALA 51 HA ALA 51 -3.011 6.177 -8.903 369 HB1 ALA 51 HB1 ALA 51 -4.649 8.058 -7.207 370 HB2 ALA 51 HB2 ALA 51 -3.531 6.828 -6.617 371 HB3 ALA 51 HB3 ALA 51 -2.921 8.207 -7.532 372 H GLY 52 H GLY 52 -6.310 7.053 -9.479 373 HA2 GLY 52 HA2 GLY 52 -7.816 5.188 -10.006 374 HA3 GLY 52 HA3 GLY 52 -7.127 4.343 -8.628 375 H LEU 53 H LEU 53 -7.431 7.554 -7.877 376 HA LEU 53 HA LEU 53 -9.591 7.123 -6.066 377 HB2 LEU 53 HB2 LEU 53 -7.594 8.697 -5.805 378 HB3 LEU 53 HB3 LEU 53 -8.426 9.774 -6.907 379 HG LEU 53 HG LEU 53 -10.070 8.932 -4.633 380 HD11 LEU 53 HD11 LEU 53 -8.903 10.363 -3.020 381 HD12 LEU 53 HD12 LEU 53 -7.923 8.978 -3.504 382 HD13 LEU 53 HD13 LEU 53 -7.584 10.575 -4.172 383 HD21 LEU 53 HD21 LEU 53 -9.287 11.606 -5.786 384 HD22 LEU 53 HD22 LEU 53 -10.738 10.682 -6.183 385 HD23 LEU 53 HD23 LEU 53 -10.526 11.338 -4.558 386 H LEU 54 H LEU 54 -11.725 7.957 -6.200 387 HA LEU 54 HA LEU 54 -12.497 8.506 -8.997 388 HB2 LEU 54 HB2 LEU 54 -13.780 6.574 -7.074 389 HB3 LEU 54 HB3 LEU 54 -14.459 7.029 -8.625 390 HG LEU 54 HG LEU 54 -11.801 5.644 -8.254 391 HD11 LEU 54 HD11 LEU 54 -13.681 4.203 -7.642 392 HD12 LEU 54 HD12 LEU 54 -14.451 4.552 -9.189 393 HD13 LEU 54 HD13 LEU 54 -12.924 3.672 -9.144 394 HD21 LEU 54 HD21 LEU 54 -11.878 5.348 -10.672 395 HD22 LEU 54 HD22 LEU 54 -13.399 6.241 -10.742 396 HD23 LEU 54 HD23 LEU 54 -11.918 7.062 -10.250 397 H ALA 55 H ALA 55 -14.346 9.701 -9.354 398 HA ALA 55 HA ALA 55 -14.916 11.676 -7.384 399 HB1 ALA 55 HB1 ALA 55 -16.306 11.134 -10.004 400 HB2 ALA 55 HB2 ALA 55 -16.448 12.601 -9.036 401 HB3 ALA 55 HB3 ALA 55 -14.904 12.182 -9.782 402 H GLY 56 H GLY 56 -15.659 10.327 -5.657 403 HA2 GLY 56 HA2 GLY 56 -18.023 10.333 -4.703 404 HA3 GLY 56 HA3 GLY 56 -18.372 9.242 -6.037 405 H ASP 57 H ASP 57 -15.233 8.816 -4.822 406 HA ASP 57 HA ASP 57 -15.994 6.269 -3.692 407 HB2 ASP 57 HB2 ASP 57 -13.719 5.688 -3.756 408 HB3 ASP 57 HB3 ASP 57 -13.924 6.725 -5.156 409 H ARG 58 H ARG 58 -14.741 5.647 -1.592 410 HA ARG 58 HA ARG 58 -15.267 7.780 0.365 411 HB2 ARG 58 HB2 ARG 58 -16.490 5.345 0.230 412 HB3 ARG 58 HB3 ARG 58 -15.165 4.996 1.332 413 HG2 ARG 58 HG2 ARG 58 -15.886 6.784 2.806 414 HG3 ARG 58 HG3 ARG 58 -17.180 7.206 1.683 415 HD2 ARG 58 HD2 ARG 58 -18.166 5.900 3.399 416 HD3 ARG 58 HD3 ARG 58 -18.053 4.867 1.972 417 HE ARG 58 HE ARG 58 -15.906 4.717 3.956 418 HH11 ARG 58 HH11 ARG 58 -18.796 3.275 2.581 419 HH12 ARG 58 HH12 ARG 58 -18.445 1.687 3.192 420 HH21 ARG 58 HH21 ARG 58 -15.464 2.680 4.779 421 HH22 ARG 58 HH22 ARG 58 -16.550 1.346 4.469 422 H LEU 59 H LEU 59 -13.624 8.495 1.505 423 HA LEU 59 HA LEU 59 -10.975 7.454 1.036 424 HB2 LEU 59 HB2 LEU 59 -11.878 9.928 1.356 425 HB3 LEU 59 HB3 LEU 59 -11.582 9.585 3.046 426 HG LEU 59 HG LEU 59 -9.727 10.802 1.979 427 HD11 LEU 59 HD11 LEU 59 -9.236 9.413 3.891 428 HD12 LEU 59 HD12 LEU 59 -9.023 8.007 2.847 429 HD13 LEU 59 HD13 LEU 59 -7.903 9.366 2.740 430 HD21 LEU 59 HD21 LEU 59 -8.287 9.636 0.365 431 HD22 LEU 59 HD22 LEU 59 -9.459 8.320 0.291 432 HD23 LEU 59 HD23 LEU 59 -9.906 9.931 -0.270 433 H VAL 60 H VAL 60 -10.428 5.652 2.105 434 HA VAL 60 HA VAL 60 -11.599 5.073 4.699 435 HB VAL 60 HB VAL 60 -9.786 3.386 2.969 436 HG11 VAL 60 HG11 VAL 60 -10.474 1.525 4.383 437 HG12 VAL 60 HG12 VAL 60 -9.673 2.777 5.330 438 HG13 VAL 60 HG13 VAL 60 -11.430 2.623 5.381 439 HG21 VAL 60 HG21 VAL 60 -12.780 3.272 3.333 440 HG22 VAL 60 HG22 VAL 60 -11.934 3.855 1.901 441 HG23 VAL 60 HG23 VAL 60 -11.808 2.161 2.369 442 H GLU 61 H GLU 61 -8.299 5.270 3.329 443 HA GLU 61 HA GLU 61 -7.320 5.742 6.068 444 HB2 GLU 61 HB2 GLU 61 -5.907 4.019 4.039 445 HB3 GLU 61 HB3 GLU 61 -5.388 4.351 5.681 446 HG2 GLU 61 HG2 GLU 61 -7.342 3.126 6.520 447 HG3 GLU 61 HG3 GLU 61 -7.795 2.752 4.853 448 H VAL 62 H VAL 62 -5.442 6.938 6.266 449 HA VAL 62 HA VAL 62 -4.269 8.024 3.792 450 HB VAL 62 HB VAL 62 -4.604 9.544 6.389 451 HG11 VAL 62 HG11 VAL 62 -3.449 10.418 3.742 452 HG12 VAL 62 HG12 VAL 62 -3.672 11.438 5.164 453 HG13 VAL 62 HG13 VAL 62 -2.533 10.092 5.215 454 HG21 VAL 62 HG21 VAL 62 -5.960 9.933 3.722 455 HG22 VAL 62 HG22 VAL 62 -6.720 9.372 5.212 456 HG23 VAL 62 HG23 VAL 62 -6.094 11.018 5.107 457 H ASN 63 H ASN 63 -2.340 7.149 3.610 458 HA ASN 63 HA ASN 63 -0.218 6.489 4.027 459 HB2 ASN 63 HB2 ASN 63 -0.610 8.352 6.348 460 HB3 ASN 63 HB3 ASN 63 0.884 7.438 6.162 461 HD21 ASN 63 HD21 ASN 63 2.265 7.913 4.461 462 HD22 ASN 63 HD22 ASN 63 2.125 9.368 3.532 463 H GLY 64 H GLY 64 -2.667 5.119 5.398 464 HA2 GLY 64 HA2 GLY 64 -2.188 2.736 5.869 465 HA3 GLY 64 HA3 GLY 64 -0.935 3.301 6.959 466 H GLU 65 H GLU 65 -2.756 5.478 7.964 467 HA GLU 65 HA GLU 65 -4.135 3.746 9.865 468 HB2 GLU 65 HB2 GLU 65 -4.354 5.766 11.265 469 HB3 GLU 65 HB3 GLU 65 -2.682 5.405 10.865 470 HG2 GLU 65 HG2 GLU 65 -2.745 7.140 9.128 471 HG3 GLU 65 HG3 GLU 65 -4.405 7.518 9.592 472 H ASN 66 H ASN 66 -6.290 3.816 10.243 473 HA ASN 66 HA ASN 66 -7.924 4.531 8.019 474 HB2 ASN 66 HB2 ASN 66 -8.429 2.550 9.364 475 HB3 ASN 66 HB3 ASN 66 -8.692 3.560 10.781 476 HD21 ASN 66 HD21 ASN 66 -9.954 2.555 7.706 477 HD22 ASN 66 HD22 ASN 66 -11.554 3.168 7.939 478 H VAL 67 H VAL 67 -9.004 6.331 7.646 479 HA VAL 67 HA VAL 67 -9.065 8.342 9.799 480 HB VAL 67 HB VAL 67 -9.182 10.035 7.999 481 HG11 VAL 67 HG11 VAL 67 -6.848 8.126 7.832 482 HG12 VAL 67 HG12 VAL 67 -6.847 9.795 7.256 483 HG13 VAL 67 HG13 VAL 67 -7.036 9.455 8.977 484 HG21 VAL 67 HG21 VAL 67 -8.688 9.352 5.687 485 HG22 VAL 67 HG22 VAL 67 -8.772 7.661 6.180 486 HG23 VAL 67 HG23 VAL 67 -10.212 8.676 6.262 487 H GLU 68 H GLU 68 -11.036 6.151 8.652 488 HA GLU 68 HA GLU 68 -13.345 7.662 7.911 489 HB2 GLU 68 HB2 GLU 68 -12.966 4.785 8.724 490 HB3 GLU 68 HB3 GLU 68 -14.516 5.452 8.228 491 HG2 GLU 68 HG2 GLU 68 -12.490 6.101 6.303 492 HG3 GLU 68 HG3 GLU 68 -12.519 4.364 6.608 493 H LYS 69 H LYS 69 -11.852 6.983 10.859 494 HA LYS 69 HA LYS 69 -14.341 7.416 12.367 495 HB2 LYS 69 HB2 LYS 69 -11.676 6.700 13.569 496 HB3 LYS 69 HB3 LYS 69 -13.278 6.502 14.261 497 HG2 LYS 69 HG2 LYS 69 -12.362 4.974 11.845 498 HG3 LYS 69 HG3 LYS 69 -12.106 4.404 13.496 499 HD2 LYS 69 HD2 LYS 69 -14.550 4.526 13.870 500 HD3 LYS 69 HD3 LYS 69 -14.757 4.984 12.177 501 HE2 LYS 69 HE2 LYS 69 -13.921 2.897 11.423 502 HE3 LYS 69 HE3 LYS 69 -13.368 2.462 13.038 503 HZ1 LYS 69 HZ1 LYS 69 -15.343 1.274 12.677 504 HZ2 LYS 69 HZ2 LYS 69 -15.776 2.551 13.709 505 HZ3 LYS 69 HZ3 LYS 69 -16.164 2.626 12.060 506 H GLU 70 H GLU 70 -12.123 9.240 10.958 507 HA GLU 70 HA GLU 70 -11.452 10.967 13.202 508 HB2 GLU 70 HB2 GLU 70 -10.637 10.994 10.300 509 HB3 GLU 70 HB3 GLU 70 -10.041 12.114 11.521 510 HG2 GLU 70 HG2 GLU 70 -9.708 9.131 11.594 511 HG3 GLU 70 HG3 GLU 70 -8.487 10.283 11.075 512 H THR 71 H THR 71 -11.525 13.353 12.740 513 HA THR 71 HA THR 71 -14.171 14.124 11.893 514 HB THR 71 HB THR 71 -13.573 16.361 12.589 515 HG1 THR 71 HG1 THR 71 -11.191 16.379 13.491 516 HG21 THR 71 HG21 THR 71 -14.029 14.694 14.373 517 HG22 THR 71 HG22 THR 71 -12.290 14.418 14.511 518 HG23 THR 71 HG23 THR 71 -12.965 16.001 14.898 519 H HIS 72 H HIS 72 -14.325 16.086 10.343 520 HA HIS 72 HA HIS 72 -13.395 15.231 7.836 521 HB2 HIS 72 HB2 HIS 72 -15.381 16.613 8.041 522 HB3 HIS 72 HB3 HIS 72 -14.428 17.942 8.693 523 HD1 HIS 72 HD1 HIS 72 -14.281 15.850 5.502 524 HD2 HIS 72 HD2 HIS 72 -13.980 19.792 6.791 525 HE1 HIS 72 HE1 HIS 72 -13.872 17.213 3.427 526 HE2 HIS 72 HE2 HIS 72 -13.632 19.588 4.233 527 H GLN 73 H GLN 73 -12.227 17.843 9.953 528 HA GLN 73 HA GLN 73 -10.207 18.737 8.201 529 HB2 GLN 73 HB2 GLN 73 -9.361 19.968 10.107 530 HB3 GLN 73 HB3 GLN 73 -11.108 20.083 10.045 531 HG2 GLN 73 HG2 GLN 73 -11.294 18.413 11.798 532 HG3 GLN 73 HG3 GLN 73 -9.539 18.261 11.853 533 HE21 GLN 73 HE21 GLN 73 -9.409 18.886 13.986 534 HE22 GLN 73 HE22 GLN 73 -9.713 20.512 14.507 535 H GLN 74 H GLN 74 -10.258 16.271 10.720 536 HA GLN 74 HA GLN 74 -7.502 15.839 10.970 537 HB2 GLN 74 HB2 GLN 74 -9.935 14.165 11.455 538 HB3 GLN 74 HB3 GLN 74 -8.342 13.432 11.572 539 HG2 GLN 74 HG2 GLN 74 -9.091 15.909 13.090 540 HG3 GLN 74 HG3 GLN 74 -9.370 14.283 13.717 541 HE21 GLN 74 HE21 GLN 74 -7.645 13.005 14.271 542 HE22 GLN 74 HE22 GLN 74 -6.044 13.645 14.507 543 H VAL 75 H VAL 75 -9.887 14.339 8.834 544 HA VAL 75 HA VAL 75 -8.152 12.494 7.608 545 HB VAL 75 HB VAL 75 -10.561 13.807 6.344 546 HG11 VAL 75 HG11 VAL 75 -9.276 11.125 5.885 547 HG12 VAL 75 HG12 VAL 75 -10.747 11.712 5.107 548 HG13 VAL 75 HG13 VAL 75 -9.205 12.513 4.799 549 HG21 VAL 75 HG21 VAL 75 -11.175 12.963 8.531 550 HG22 VAL 75 HG22 VAL 75 -11.860 11.937 7.270 551 HG23 VAL 75 HG23 VAL 75 -10.435 11.406 8.161 552 H VAL 76 H VAL 76 -9.223 15.710 6.594 553 HA VAL 76 HA VAL 76 -7.769 15.823 4.193 554 HB VAL 76 HB VAL 76 -8.734 18.104 5.928 555 HG11 VAL 76 HG11 VAL 76 -7.947 18.057 3.016 556 HG12 VAL 76 HG12 VAL 76 -8.688 19.424 3.850 557 HG13 VAL 76 HG13 VAL 76 -7.081 18.866 4.322 558 HG21 VAL 76 HG21 VAL 76 -10.695 18.121 4.487 559 HG22 VAL 76 HG22 VAL 76 -10.064 16.739 3.589 560 HG23 VAL 76 HG23 VAL 76 -10.521 16.557 5.283 561 H SER 77 H SER 77 -6.971 16.892 7.476 562 HA SER 77 HA SER 77 -4.699 18.394 6.824 563 HB2 SER 77 HB2 SER 77 -5.991 18.302 9.047 564 HB3 SER 77 HB3 SER 77 -5.004 16.889 9.418 565 HG SER 77 HG SER 77 -4.190 18.997 10.163 566 H ARG 78 H ARG 78 -5.029 14.969 7.699 567 HA ARG 78 HA ARG 78 -2.324 14.284 7.709 568 HB2 ARG 78 HB2 ARG 78 -4.753 12.667 6.951 569 HB3 ARG 78 HB3 ARG 78 -3.150 11.979 7.152 570 HG2 ARG 78 HG2 ARG 78 -3.135 12.651 9.484 571 HG3 ARG 78 HG3 ARG 78 -4.722 13.395 9.291 572 HD2 ARG 78 HD2 ARG 78 -5.754 11.309 8.867 573 HD3 ARG 78 HD3 ARG 78 -4.200 10.500 8.688 574 HE ARG 78 HE ARG 78 -4.010 10.362 10.983 575 HH11 ARG 78 HH11 ARG 78 -6.739 12.395 10.161 576 HH12 ARG 78 HH12 ARG 78 -7.461 12.259 11.735 577 HH21 ARG 78 HH21 ARG 78 -4.963 10.197 13.039 578 HH22 ARG 78 HH22 ARG 78 -6.459 11.025 13.363 579 H ILE 79 H ILE 79 -4.640 14.383 5.035 580 HA ILE 79 HA ILE 79 -2.960 13.231 3.082 581 HB ILE 79 HB ILE 79 -5.236 15.171 2.629 582 HG12 ILE 79 HG12 ILE 79 -5.271 12.148 2.811 583 HG13 ILE 79 HG13 ILE 79 -5.908 13.249 4.028 584 HG21 ILE 79 HG21 ILE 79 -4.006 13.088 0.827 585 HG22 ILE 79 HG22 ILE 79 -5.426 14.063 0.446 586 HG23 ILE 79 HG23 ILE 79 -3.853 14.836 0.652 587 HD11 ILE 79 HD11 ILE 79 -6.921 12.946 1.212 588 HD12 ILE 79 HD12 ILE 79 -7.687 12.317 2.670 589 HD13 ILE 79 HD13 ILE 79 -7.558 14.059 2.421 590 H ARG 80 H ARG 80 -3.374 16.521 4.218 591 HA ARG 80 HA ARG 80 -1.912 17.795 2.132 592 HB2 ARG 80 HB2 ARG 80 -2.462 18.722 4.954 593 HB3 ARG 80 HB3 ARG 80 -1.841 19.732 3.659 594 HG2 ARG 80 HG2 ARG 80 -3.916 19.407 2.412 595 HG3 ARG 80 HG3 ARG 80 -4.536 18.393 3.718 596 HD2 ARG 80 HD2 ARG 80 -3.797 21.311 3.885 597 HD3 ARG 80 HD3 ARG 80 -5.421 20.626 3.951 598 HE ARG 80 HE ARG 80 -4.142 19.414 6.010 599 HH11 ARG 80 HH11 ARG 80 -4.547 22.761 5.082 600 HH12 ARG 80 HH12 ARG 80 -4.493 23.365 6.712 601 HH21 ARG 80 HH21 ARG 80 -4.033 20.189 8.164 602 HH22 ARG 80 HH22 ARG 80 -4.195 21.895 8.470 603 H ALA 81 H ALA 81 -1.011 16.085 4.982 604 HA ALA 81 HA ALA 81 1.442 17.430 5.504 605 HB1 ALA 81 HB1 ALA 81 0.191 16.214 7.228 606 HB2 ALA 81 HB2 ALA 81 0.556 14.696 6.407 607 HB3 ALA 81 HB3 ALA 81 1.861 15.660 7.101 608 H ALA 82 H ALA 82 0.586 15.214 3.106 609 HA ALA 82 HA ALA 82 3.027 13.761 2.920 610 HB1 ALA 82 HB1 ALA 82 0.950 12.916 1.960 611 HB2 ALA 82 HB2 ALA 82 0.931 14.254 0.811 612 HB3 ALA 82 HB3 ALA 82 2.215 13.044 0.738 613 H LEU 83 H LEU 83 4.914 14.458 2.278 614 HA LEU 83 HA LEU 83 5.350 17.064 1.293 615 HB2 LEU 83 HB2 LEU 83 7.652 16.574 1.279 616 HB3 LEU 83 HB3 LEU 83 6.967 15.751 2.664 617 HG LEU 83 HG LEU 83 7.579 14.373 0.048 618 HD11 LEU 83 HD11 LEU 83 9.619 15.281 1.020 619 HD12 LEU 83 HD12 LEU 83 9.233 14.518 2.563 620 HD13 LEU 83 HD13 LEU 83 9.581 13.522 1.149 621 HD21 LEU 83 HD21 LEU 83 7.449 12.342 1.420 622 HD22 LEU 83 HD22 LEU 83 6.999 13.323 2.815 623 HD23 LEU 83 HD23 LEU 83 5.927 13.234 1.419 624 H ASN 84 H ASN 84 4.810 14.049 -0.298 625 HA ASN 84 HA ASN 84 4.576 15.423 -2.810 626 HB2 ASN 84 HB2 ASN 84 7.006 14.856 -2.762 627 HB3 ASN 84 HB3 ASN 84 6.576 13.157 -2.617 628 HD21 ASN 84 HD21 ASN 84 8.093 14.520 -4.692 629 HD22 ASN 84 HD22 ASN 84 7.262 14.193 -6.180 630 H ALA 85 H ALA 85 4.973 12.084 -1.572 631 HA ALA 85 HA ALA 85 2.551 11.415 -3.105 632 HB1 ALA 85 HB1 ALA 85 4.595 10.304 -3.899 633 HB2 ALA 85 HB2 ALA 85 4.806 9.579 -2.306 634 HB3 ALA 85 HB3 ALA 85 3.405 9.152 -3.289 635 H VAL 86 H VAL 86 0.935 10.294 -2.158 636 HA VAL 86 HA VAL 86 1.196 9.640 0.691 637 HB VAL 86 HB VAL 86 0.186 11.864 0.563 638 HG11 VAL 86 HG11 VAL 86 -2.014 12.190 -0.486 639 HG12 VAL 86 HG12 VAL 86 -0.758 11.786 -1.657 640 HG13 VAL 86 HG13 VAL 86 -1.921 10.559 -1.148 641 HG21 VAL 86 HG21 VAL 86 -1.805 9.732 1.316 642 HG22 VAL 86 HG22 VAL 86 -0.552 10.412 2.353 643 HG23 VAL 86 HG23 VAL 86 -1.886 11.424 1.804 644 H ARG 87 H ARG 87 0.107 7.826 1.323 645 HA ARG 87 HA ARG 87 -1.220 6.289 -0.755 646 HB2 ARG 87 HB2 ARG 87 0.017 4.743 0.344 647 HB3 ARG 87 HB3 ARG 87 0.029 5.655 1.848 648 HG2 ARG 87 HG2 ARG 87 -2.309 4.893 2.245 649 HG3 ARG 87 HG3 ARG 87 -2.173 3.888 0.803 650 HD2 ARG 87 HD2 ARG 87 -0.414 2.596 1.792 651 HD3 ARG 87 HD3 ARG 87 -0.324 3.688 3.173 652 HE ARG 87 HE ARG 87 -2.917 2.725 3.114 653 HH11 ARG 87 HH11 ARG 87 0.300 1.366 3.428 654 HH12 ARG 87 HH12 ARG 87 -0.221 0.052 4.440 655 HH21 ARG 87 HH21 ARG 87 -3.616 1.002 4.454 656 HH22 ARG 87 HH22 ARG 87 -2.437 -0.157 5.022 657 H LEU 88 H LEU 88 -3.238 6.711 -1.107 658 HA LEU 88 HA LEU 88 -5.018 7.137 1.200 659 HB2 LEU 88 HB2 LEU 88 -5.478 7.887 -1.693 660 HB3 LEU 88 HB3 LEU 88 -6.594 8.169 -0.375 661 HG LEU 88 HG LEU 88 -3.937 9.510 -0.849 662 HD11 LEU 88 HD11 LEU 88 -5.818 10.373 -2.130 663 HD12 LEU 88 HD12 LEU 88 -6.747 10.578 -0.644 664 HD13 LEU 88 HD13 LEU 88 -5.287 11.532 -0.911 665 HD21 LEU 88 HD21 LEU 88 -5.750 9.721 1.557 666 HD22 LEU 88 HD22 LEU 88 -4.124 9.042 1.533 667 HD23 LEU 88 HD23 LEU 88 -4.367 10.762 1.226 668 H LEU 89 H LEU 89 -6.286 5.451 1.661 669 HA LEU 89 HA LEU 89 -6.669 3.430 -0.419 670 HB2 LEU 89 HB2 LEU 89 -5.966 2.642 1.817 671 HB3 LEU 89 HB3 LEU 89 -7.432 3.321 2.501 672 HG LEU 89 HG LEU 89 -8.770 1.787 1.081 673 HD11 LEU 89 HD11 LEU 89 -6.085 0.609 0.384 674 HD12 LEU 89 HD12 LEU 89 -7.655 -0.087 -0.018 675 HD13 LEU 89 HD13 LEU 89 -7.171 1.458 -0.717 676 HD21 LEU 89 HD21 LEU 89 -8.249 -0.257 2.327 677 HD22 LEU 89 HD22 LEU 89 -6.743 0.477 2.877 678 HD23 LEU 89 HD23 LEU 89 -8.291 1.170 3.362 679 H VAL 90 H VAL 90 -8.494 3.303 -1.501 680 HA VAL 90 HA VAL 90 -10.800 4.825 -0.504 681 HB VAL 90 HB VAL 90 -11.276 5.634 -2.765 682 HG11 VAL 90 HG11 VAL 90 -8.477 6.328 -1.892 683 HG12 VAL 90 HG12 VAL 90 -9.512 7.292 -2.950 684 HG13 VAL 90 HG13 VAL 90 -9.963 7.037 -1.264 685 HG21 VAL 90 HG21 VAL 90 -10.242 3.854 -4.062 686 HG22 VAL 90 HG22 VAL 90 -9.619 5.427 -4.559 687 HG23 VAL 90 HG23 VAL 90 -8.644 4.375 -3.532 688 H VAL 91 H VAL 91 -12.825 4.088 -1.203 689 HA VAL 91 HA VAL 91 -12.937 1.678 -2.818 690 HB VAL 91 HB VAL 91 -12.639 0.844 -0.507 691 HG11 VAL 91 HG11 VAL 91 -13.675 2.647 0.731 692 HG12 VAL 91 HG12 VAL 91 -15.248 2.246 0.042 693 HG13 VAL 91 HG13 VAL 91 -14.448 1.112 1.129 694 HG21 VAL 91 HG21 VAL 91 -13.855 -0.492 -2.126 695 HG22 VAL 91 HG22 VAL 91 -14.531 -0.708 -0.512 696 HG23 VAL 91 HG23 VAL 91 -15.360 0.314 -1.686 697 H ASP 92 H ASP 92 -14.754 1.589 -4.024 698 HA ASP 92 HA ASP 92 -16.617 3.707 -4.110 699 HB2 ASP 92 HB2 ASP 92 -17.150 0.876 -5.041 700 HB3 ASP 92 HB3 ASP 92 -17.848 2.363 -5.668 701 HA PRO 93 HA PRO 93 -19.195 2.578 -0.590 702 HB2 PRO 93 HB2 PRO 93 -21.257 4.018 -2.173 703 HB3 PRO 93 HB3 PRO 93 -20.748 4.266 -0.498 704 HG2 PRO 93 HG2 PRO 93 -20.034 5.978 -2.413 705 HG3 PRO 93 HG3 PRO 93 -18.918 5.550 -1.104 706 HD2 PRO 93 HD2 PRO 93 -18.954 4.625 -3.946 707 HD3 PRO 93 HD3 PRO 93 -17.570 4.996 -2.897 708 H GLU 94 H GLU 94 -19.980 2.161 -3.948 709 HA GLU 94 HA GLU 94 -22.101 0.287 -3.664 710 HB2 GLU 94 HB2 GLU 94 -20.196 0.423 -5.998 711 HB3 GLU 94 HB3 GLU 94 -21.896 -0.024 -6.004 712 HG2 GLU 94 HG2 GLU 94 -20.960 2.748 -5.331 713 HG3 GLU 94 HG3 GLU 94 -21.296 2.230 -6.981 714 H THR 95 H THR 95 -18.640 0.046 -4.263 715 HA THR 95 HA THR 95 -18.479 -2.775 -4.391 716 HB THR 95 HB THR 95 -16.335 -0.726 -3.783 717 HG1 THR 95 HG1 THR 95 -15.996 -0.698 -5.972 718 HG21 THR 95 HG21 THR 95 -15.607 -2.941 -3.124 719 HG22 THR 95 HG22 THR 95 -16.107 -3.598 -4.683 720 HG23 THR 95 HG23 THR 95 -14.771 -2.450 -4.598 721 H ASP 96 H ASP 96 -17.851 -0.425 -1.820 722 HA ASP 96 HA ASP 96 -16.748 -2.160 0.067 723 HB2 ASP 96 HB2 ASP 96 -16.513 0.162 0.447 724 HB3 ASP 96 HB3 ASP 96 -18.248 0.439 0.336 725 H GLU 97 H GLU 97 -20.079 -1.533 -0.769 726 HA GLU 97 HA GLU 97 -21.330 -2.527 1.515 727 HB2 GLU 97 HB2 GLU 97 -22.560 -1.319 -0.187 728 HB3 GLU 97 HB3 GLU 97 -22.249 -2.590 -1.361 729 HG2 GLU 97 HG2 GLU 97 -23.651 -4.111 -0.225 730 HG3 GLU 97 HG3 GLU 97 -23.773 -3.056 1.182 731 H GLN 98 H GLN 98 -20.132 -4.226 -1.355 732 HA GLN 98 HA GLN 98 -21.021 -6.804 -0.455 733 HB2 GLN 98 HB2 GLN 98 -20.579 -6.272 -2.856 734 HB3 GLN 98 HB3 GLN 98 -18.866 -6.157 -2.476 735 HG2 GLN 98 HG2 GLN 98 -18.909 -8.511 -1.730 736 HG3 GLN 98 HG3 GLN 98 -20.594 -8.610 -2.241 737 HE21 GLN 98 HE21 GLN 98 -18.121 -6.811 -3.927 738 HE22 GLN 98 HE22 GLN 98 -18.084 -7.808 -5.336 739 H LEU 99 H LEU 99 -17.993 -5.011 -0.424 740 HA LEU 99 HA LEU 99 -16.333 -7.091 0.441 741 HB2 LEU 99 HB2 LEU 99 -16.134 -4.111 0.394 742 HB3 LEU 99 HB3 LEU 99 -14.884 -5.057 1.178 743 HG LEU 99 HG LEU 99 -14.557 -4.322 -1.274 744 HD11 LEU 99 HD11 LEU 99 -13.069 -5.847 -0.098 745 HD12 LEU 99 HD12 LEU 99 -14.148 -7.194 -0.454 746 HD13 LEU 99 HD13 LEU 99 -13.304 -6.371 -1.766 747 HD21 LEU 99 HD21 LEU 99 -16.698 -5.049 -2.148 748 HD22 LEU 99 HD22 LEU 99 -15.377 -5.905 -2.942 749 HD23 LEU 99 HD23 LEU 99 -16.332 -6.715 -1.700 750 H GLN 100 H GLN 100 -18.104 -4.633 2.278 751 HA GLN 100 HA GLN 100 -16.990 -5.300 4.789 752 HB2 GLN 100 HB2 GLN 100 -18.918 -4.133 5.775 753 HB3 GLN 100 HB3 GLN 100 -18.152 -3.195 4.501 754 HG2 GLN 100 HG2 GLN 100 -19.906 -3.711 2.975 755 HG3 GLN 100 HG3 GLN 100 -20.614 -4.867 4.102 756 HE21 GLN 100 HE21 GLN 100 -20.073 -1.480 3.427 757 HE22 GLN 100 HE22 GLN 100 -21.302 -0.891 4.498 758 H LYS 101 H LYS 101 -19.644 -6.654 2.935 759 HA LYS 101 HA LYS 101 -20.749 -8.261 4.995 760 HB2 LYS 101 HB2 LYS 101 -20.709 -8.795 2.014 761 HB3 LYS 101 HB3 LYS 101 -21.765 -9.566 3.184 762 HG2 LYS 101 HG2 LYS 101 -21.780 -6.644 2.464 763 HG3 LYS 101 HG3 LYS 101 -22.924 -7.858 1.894 764 HD2 LYS 101 HD2 LYS 101 -23.531 -8.272 4.294 765 HD3 LYS 101 HD3 LYS 101 -22.542 -6.873 4.717 766 HE2 LYS 101 HE2 LYS 101 -24.921 -6.862 2.863 767 HE3 LYS 101 HE3 LYS 101 -24.912 -6.289 4.529 768 HZ1 LYS 101 HZ1 LYS 101 -23.444 -4.532 3.953 769 HZ2 LYS 101 HZ2 LYS 101 -23.182 -5.155 2.400 770 HZ3 LYS 101 HZ3 LYS 101 -24.698 -4.518 2.816 771 H LEU 102 H LEU 102 -18.134 -8.654 2.700 772 HA LEU 102 HA LEU 102 -17.554 -11.372 3.308 773 HB2 LEU 102 HB2 LEU 102 -15.639 -9.301 2.235 774 HB3 LEU 102 HB3 LEU 102 -15.510 -11.042 2.080 775 HG LEU 102 HG LEU 102 -17.553 -9.267 0.736 776 HD11 LEU 102 HD11 LEU 102 -15.249 -10.871 -0.367 777 HD12 LEU 102 HD12 LEU 102 -16.442 -9.996 -1.328 778 HD13 LEU 102 HD13 LEU 102 -15.348 -9.113 -0.263 779 HD21 LEU 102 HD21 LEU 102 -18.312 -11.292 -0.399 780 HD22 LEU 102 HD22 LEU 102 -17.206 -12.260 0.578 781 HD23 LEU 102 HD23 LEU 102 -18.546 -11.406 1.345 782 H GLY 103 H GLY 103 -15.931 -8.342 4.140 783 HA2 GLY 103 HA2 GLY 103 -14.910 -7.607 6.043 784 HA3 GLY 103 HA3 GLY 103 -16.037 -8.652 6.882 785 H VAL 104 H VAL 104 -13.696 -10.036 4.709 786 HA VAL 104 HA VAL 104 -12.221 -10.987 7.063 787 HB VAL 104 HB VAL 104 -13.583 -12.801 6.305 788 HG11 VAL 104 HG11 VAL 104 -13.428 -13.726 4.033 789 HG12 VAL 104 HG12 VAL 104 -14.073 -12.084 4.046 790 HG13 VAL 104 HG13 VAL 104 -12.399 -12.371 3.566 791 HG21 VAL 104 HG21 VAL 104 -10.749 -13.207 5.372 792 HG22 VAL 104 HG22 VAL 104 -11.330 -13.366 7.030 793 HG23 VAL 104 HG23 VAL 104 -11.895 -14.484 5.785 794 H GLN 105 H GLN 105 -10.382 -9.900 7.012 795 HA GLN 105 HA GLN 105 -8.229 -9.452 6.492 796 HB2 GLN 105 HB2 GLN 105 -8.623 -11.644 4.458 797 HB3 GLN 105 HB3 GLN 105 -7.070 -10.973 4.935 798 HG2 GLN 105 HG2 GLN 105 -7.500 -11.720 7.250 799 HG3 GLN 105 HG3 GLN 105 -8.994 -12.474 6.694 800 HE21 GLN 105 HE21 GLN 105 -5.537 -12.610 6.676 801 HE22 GLN 105 HE22 GLN 105 -5.394 -14.212 6.028 802 H VAL 106 H VAL 106 -10.421 -8.074 5.040 803 HA VAL 106 HA VAL 106 -9.385 -7.602 2.383 804 HB VAL 106 HB VAL 106 -11.729 -6.395 3.860 805 HG11 VAL 106 HG11 VAL 106 -10.934 -6.060 0.969 806 HG12 VAL 106 HG12 VAL 106 -12.442 -5.500 1.692 807 HG13 VAL 106 HG13 VAL 106 -10.904 -4.805 2.208 808 HG21 VAL 106 HG21 VAL 106 -12.034 -8.732 3.363 809 HG22 VAL 106 HG22 VAL 106 -13.040 -7.774 2.276 810 HG23 VAL 106 HG23 VAL 106 -11.529 -8.479 1.692 811 H ARG 107 H ARG 107 -8.949 -6.231 5.494 812 HA ARG 107 HA ARG 107 -8.906 -3.498 4.814 813 HB2 ARG 107 HB2 ARG 107 -7.720 -3.208 7.010 814 HB3 ARG 107 HB3 ARG 107 -9.251 -4.068 7.090 815 HG2 ARG 107 HG2 ARG 107 -8.086 -6.185 7.233 816 HG3 ARG 107 HG3 ARG 107 -6.536 -5.361 7.068 817 HD2 ARG 107 HD2 ARG 107 -6.851 -4.231 9.160 818 HD3 ARG 107 HD3 ARG 107 -8.492 -4.866 9.298 819 HE ARG 107 HE ARG 107 -6.858 -7.074 9.090 820 HH11 ARG 107 HH11 ARG 107 -7.056 -4.323 11.247 821 HH12 ARG 107 HH12 ARG 107 -6.592 -5.232 12.658 822 HH21 ARG 107 HH21 ARG 107 -6.247 -8.274 10.938 823 HH22 ARG 107 HH22 ARG 107 -6.154 -7.487 12.484 824 H GLU 108 H GLU 108 -6.168 -5.806 5.168 825 HA GLU 108 HA GLU 108 -4.562 -3.992 3.541 826 HB2 GLU 108 HB2 GLU 108 -3.965 -4.569 6.415 827 HB3 GLU 108 HB3 GLU 108 -2.651 -4.290 5.285 828 HG2 GLU 108 HG2 GLU 108 -3.838 -2.124 4.688 829 HG3 GLU 108 HG3 GLU 108 -4.815 -2.403 6.131 830 H GLU 109 H GLU 109 -4.738 -7.040 5.309 831 HA GLU 109 HA GLU 109 -2.293 -8.076 4.387 832 HB2 GLU 109 HB2 GLU 109 -3.266 -10.315 5.050 833 HB3 GLU 109 HB3 GLU 109 -3.201 -9.093 6.306 834 HG2 GLU 109 HG2 GLU 109 -5.689 -9.572 4.711 835 HG3 GLU 109 HG3 GLU 109 -5.291 -10.542 6.125 836 H LEU 110 H LEU 110 -5.574 -8.379 3.072 837 HA LEU 110 HA LEU 110 -4.642 -9.882 0.795 838 HB2 LEU 110 HB2 LEU 110 -6.968 -10.023 1.763 839 HB3 LEU 110 HB3 LEU 110 -7.273 -8.422 1.127 840 HG LEU 110 HG LEU 110 -8.165 -10.405 -0.198 841 HD11 LEU 110 HD11 LEU 110 -7.706 -9.371 -2.351 842 HD12 LEU 110 HD12 LEU 110 -8.061 -8.155 -1.124 843 HD13 LEU 110 HD13 LEU 110 -6.396 -8.434 -1.632 844 HD21 LEU 110 HD21 LEU 110 -5.252 -10.645 -0.928 845 HD22 LEU 110 HD22 LEU 110 -6.222 -11.838 -0.064 846 HD23 LEU 110 HD23 LEU 110 -6.584 -11.461 -1.749 847 H LEU 111 H LEU 111 -5.242 -6.548 1.628 848 HA LEU 111 HA LEU 111 -5.327 -5.404 -0.926 849 HB2 LEU 111 HB2 LEU 111 -6.038 -4.159 0.988 850 HB3 LEU 111 HB3 LEU 111 -4.463 -4.299 1.740 851 HG LEU 111 HG LEU 111 -3.539 -2.895 -0.130 852 HD11 LEU 111 HD11 LEU 111 -6.464 -2.465 -0.719 853 HD12 LEU 111 HD12 LEU 111 -5.128 -1.546 -1.414 854 HD13 LEU 111 HD13 LEU 111 -5.293 -3.266 -1.767 855 HD21 LEU 111 HD21 LEU 111 -5.681 -1.676 1.605 856 HD22 LEU 111 HD22 LEU 111 -4.003 -1.969 2.065 857 HD23 LEU 111 HD23 LEU 111 -4.379 -0.794 0.804 858 H ARG 112 H ARG 112 -2.568 -6.053 1.210 859 HA ARG 112 HA ARG 112 -0.843 -5.721 -1.120 860 HB2 ARG 112 HB2 ARG 112 0.881 -4.775 0.593 861 HB3 ARG 112 HB3 ARG 112 -0.304 -3.728 -0.160 862 HG2 ARG 112 HG2 ARG 112 -0.304 -3.065 2.065 863 HG3 ARG 112 HG3 ARG 112 -1.711 -4.121 1.948 864 HD2 ARG 112 HD2 ARG 112 -0.528 -5.920 2.988 865 HD3 ARG 112 HD3 ARG 112 0.995 -5.039 2.907 866 HE ARG 112 HE ARG 112 -0.564 -3.409 4.391 867 HH11 ARG 112 HH11 ARG 112 0.173 -6.833 4.649 868 HH12 ARG 112 HH12 ARG 112 0.058 -6.845 6.379 869 HH21 ARG 112 HH21 ARG 112 -0.709 -3.440 6.669 870 HH22 ARG 112 HH22 ARG 112 -0.451 -4.932 7.532 871 H ALA 113 H ALA 113 -1.070 -8.025 -1.140 872 HA ALA 113 HA ALA 113 0.037 -9.588 1.003 873 HB1 ALA 113 HB1 ALA 113 -1.781 -10.458 -0.381 874 HB2 ALA 113 HB2 ALA 113 -0.729 -10.408 -1.795 875 HB3 ALA 113 HB3 ALA 113 -0.360 -11.499 -0.459 876 H GLN 114 H GLN 114 2.138 -9.793 1.358 877 HA GLN 114 HA GLN 114 4.109 -9.123 -0.602 878 HB2 GLN 114 HB2 GLN 114 4.210 -10.158 2.208 879 HB3 GLN 114 HB3 GLN 114 5.657 -10.196 1.214 880 HG2 GLN 114 HG2 GLN 114 5.761 -8.225 2.489 881 HG3 GLN 114 HG3 GLN 114 5.356 -7.734 0.851 882 HE21 GLN 114 HE21 GLN 114 4.492 -5.787 1.534 883 HE22 GLN 114 HE22 GLN 114 2.978 -5.680 2.370 884 H GLU 115 H GLU 115 5.884 -10.591 -1.178 885 HA GLU 115 HA GLU 115 5.111 -13.407 -1.341 886 HB2 GLU 115 HB2 GLU 115 4.293 -12.354 -3.403 887 HB3 GLU 115 HB3 GLU 115 5.898 -11.709 -3.719 888 HG2 GLU 115 HG2 GLU 115 6.737 -14.052 -3.821 889 HG3 GLU 115 HG3 GLU 115 5.064 -14.596 -3.710 890 H ALA 116 H ALA 116 6.834 -14.830 -1.650 891 HA ALA 116 HA ALA 116 8.943 -15.643 -1.601 892 HB1 ALA 116 HB1 ALA 116 9.831 -12.907 -2.502 893 HB2 ALA 116 HB2 ALA 116 10.747 -14.409 -2.615 894 HB3 ALA 116 HB3 ALA 116 9.282 -14.196 -3.572 895 HA PRO 117 HA PRO 117 9.634 -13.872 2.581 896 HB2 PRO 117 HB2 PRO 117 9.679 -16.678 3.392 897 HB3 PRO 117 HB3 PRO 117 8.617 -15.379 3.939 898 HG2 PRO 117 HG2 PRO 117 7.731 -17.428 2.421 899 HG3 PRO 117 HG3 PRO 117 7.047 -15.794 2.308 900 HD2 PRO 117 HD2 PRO 117 9.055 -17.136 0.526 901 HD3 PRO 117 HD3 PRO 117 7.649 -16.139 0.089 902 H GLY 118 H GLY 118 11.669 -13.845 0.861 903 HA2 GLY 118 HA2 GLY 118 13.874 -14.781 2.454 904 HA3 GLY 118 HA3 GLY 118 13.723 -15.626 0.919 905 H GLN 119 H GLN 119 13.533 -12.281 2.107 906 HA GLN 119 HA GLN 119 14.522 -11.163 -0.322 907 HB2 GLN 119 HB2 GLN 119 14.408 -9.960 2.451 908 HB3 GLN 119 HB3 GLN 119 14.676 -9.071 0.962 909 HG2 GLN 119 HG2 GLN 119 12.451 -9.610 0.191 910 HG3 GLN 119 HG3 GLN 119 12.174 -10.607 1.619 911 HE21 GLN 119 HE21 GLN 119 13.919 -7.601 1.744 912 HE22 GLN 119 HE22 GLN 119 12.726 -6.715 2.626 913 H ALA 120 H ALA 120 16.564 -10.075 -0.603 914 HA ALA 120 HA ALA 120 18.695 -11.133 1.128 915 HB1 ALA 120 HB1 ALA 120 18.712 -12.238 -1.063 916 HB2 ALA 120 HB2 ALA 120 18.851 -10.666 -1.851 917 HB3 ALA 120 HB3 ALA 120 20.156 -11.255 -0.821 918 H1 GLN 1 HT1 GLN 1 -15.417 27.996 -0.397 919 H2 GLN 1 HT2 GLN 1 -16.692 28.509 0.605 920 H3 GLN 1 HT3 GLN 1 -16.999 27.484 -0.711 921 HA GLN 1 HA GLN 1 -15.270 26.734 1.557 922 HB2 GLN 1 HB2 GLN 1 -17.204 25.330 2.301 923 HB3 GLN 1 HB3 GLN 1 -17.457 27.063 2.479 924 HG2 GLN 1 HG2 GLN 1 -18.876 27.109 0.545 925 HG3 GLN 1 HG3 GLN 1 -18.517 25.418 0.190 926 HE21 GLN 1 HE21 GLN 1 -21.083 26.782 0.749 927 HE22 GLN 1 HE22 GLN 1 -21.777 25.909 2.084 928 H ASP 2 H ASP 2 -16.471 24.067 1.449 929 HA ASP 2 HA ASP 2 -16.258 22.053 0.406 930 HB2 ASP 2 HB2 ASP 2 -17.258 23.101 -1.611 931 HB3 ASP 2 HB3 ASP 2 -15.656 23.619 -2.120 932 H THR 3 H THR 3 -14.560 20.771 0.816 933 HA THR 3 HA THR 3 -11.981 22.055 1.018 934 HB THR 3 HB THR 3 -12.672 19.181 1.623 935 HG1 THR 3 HG1 THR 3 -13.363 21.500 2.880 936 HG21 THR 3 HG21 THR 3 -10.719 19.343 3.126 937 HG22 THR 3 HG22 THR 3 -10.281 19.605 1.439 938 HG23 THR 3 HG23 THR 3 -10.420 20.979 2.538 939 H ARG 4 H ARG 4 -11.297 22.409 -1.077 940 HA ARG 4 HA ARG 4 -10.961 20.201 -2.906 941 HB2 ARG 4 HB2 ARG 4 -11.343 22.544 -3.693 942 HB3 ARG 4 HB3 ARG 4 -9.763 22.976 -3.049 943 HG2 ARG 4 HG2 ARG 4 -8.904 21.045 -4.560 944 HG3 ARG 4 HG3 ARG 4 -10.440 21.263 -5.400 945 HD2 ARG 4 HD2 ARG 4 -8.686 22.574 -6.462 946 HD3 ARG 4 HD3 ARG 4 -9.904 23.632 -5.750 947 HE ARG 4 HE ARG 4 -8.296 24.489 -4.373 948 HH11 ARG 4 HH11 ARG 4 -7.163 21.396 -5.594 949 HH12 ARG 4 HH12 ARG 4 -5.595 21.536 -4.866 950 HH21 ARG 4 HH21 ARG 4 -6.220 24.677 -3.438 951 HH22 ARG 4 HH22 ARG 4 -5.060 23.401 -3.645 952 H LEU 5 H LEU 5 -9.293 18.869 -2.990 953 HA LEU 5 HA LEU 5 -6.839 19.578 -1.531 954 HB2 LEU 5 HB2 LEU 5 -8.357 17.015 -1.777 955 HB3 LEU 5 HB3 LEU 5 -6.621 16.960 -1.553 956 HG LEU 5 HG LEU 5 -8.582 18.298 0.317 957 HD11 LEU 5 HD11 LEU 5 -8.019 16.467 1.847 958 HD12 LEU 5 HD12 LEU 5 -8.809 15.889 0.380 959 HD13 LEU 5 HD13 LEU 5 -7.065 15.707 0.574 960 HD21 LEU 5 HD21 LEU 5 -6.670 18.524 1.809 961 HD22 LEU 5 HD22 LEU 5 -5.616 17.823 0.580 962 HD23 LEU 5 HD23 LEU 5 -6.396 19.380 0.292 Start of MODEL 11 1 H1 GLY 4 HT1 GLY 4 -25.396 -18.743 0.301 2 H2 GLY 4 HT2 GLY 4 -24.739 -17.838 -0.971 3 H3 GLY 4 HT3 GLY 4 -24.271 -17.519 0.628 4 HA2 GLY 4 HA3 GLY 4 -23.253 -19.709 0.787 5 HA3 GLY 4 HA2 GLY 4 -23.729 -20.019 -0.878 6 H ILE 5 H ILE 5 -21.594 -18.336 1.240 7 HA ILE 5 HA ILE 5 -19.672 -17.217 1.039 8 HB ILE 5 HB ILE 5 -17.958 -18.089 -0.446 9 HG12 ILE 5 HG12 ILE 5 -18.710 -20.245 -1.765 10 HG13 ILE 5 HG13 ILE 5 -20.261 -19.419 -1.821 11 HG21 ILE 5 HG21 ILE 5 -19.667 -20.207 0.835 12 HG22 ILE 5 HG22 ILE 5 -17.976 -20.404 0.371 13 HG23 ILE 5 HG23 ILE 5 -18.420 -19.237 1.617 14 HD11 ILE 5 HD11 ILE 5 -19.218 -17.527 -2.941 15 HD12 ILE 5 HD12 ILE 5 -17.655 -18.340 -2.867 16 HD13 ILE 5 HD13 ILE 5 -18.960 -19.025 -3.833 17 H ASP 6 H ASP 6 -18.104 -16.026 -0.503 18 HA ASP 6 HA ASP 6 -19.733 -14.398 -2.343 19 HB2 ASP 6 HB2 ASP 6 -17.530 -13.535 -0.457 20 HB3 ASP 6 HB3 ASP 6 -18.167 -12.510 -1.736 21 HA PRO 7 HA PRO 7 -16.803 -15.467 -5.419 22 HB2 PRO 7 HB2 PRO 7 -17.006 -13.392 -7.128 23 HB3 PRO 7 HB3 PRO 7 -18.305 -14.569 -6.908 24 HG2 PRO 7 HG2 PRO 7 -18.023 -11.818 -5.769 25 HG3 PRO 7 HG3 PRO 7 -19.464 -12.619 -6.423 26 HD2 PRO 7 HD2 PRO 7 -18.935 -12.398 -3.752 27 HD3 PRO 7 HD3 PRO 7 -19.901 -13.708 -4.459 28 H PHE 8 H PHE 8 -15.873 -13.709 -3.101 29 HA PHE 8 HA PHE 8 -14.003 -12.646 -2.385 30 HB2 PHE 8 HB2 PHE 8 -13.170 -14.846 -3.582 31 HB3 PHE 8 HB3 PHE 8 -12.472 -13.706 -4.728 32 HD1 PHE 8 HD2 PHE 8 -10.685 -12.172 -4.022 33 HD2 PHE 8 HD1 PHE 8 -12.306 -15.075 -1.364 34 HE1 PHE 8 HE2 PHE 8 -8.760 -11.865 -2.517 35 HE2 PHE 8 HE1 PHE 8 -10.383 -14.776 0.141 36 HZ PHE 8 HZ PHE 8 -8.607 -13.173 -0.437 37 H THR 9 H THR 9 -15.690 -11.133 -4.166 38 HA THR 9 HA THR 9 -13.769 -9.576 -5.709 39 HB THR 9 HB THR 9 -15.807 -10.092 -6.898 40 HG1 THR 9 HG1 THR 9 -16.141 -8.065 -7.646 41 HG21 THR 9 HG21 THR 9 -17.263 -8.641 -4.687 42 HG22 THR 9 HG22 THR 9 -17.990 -9.237 -6.182 43 HG23 THR 9 HG23 THR 9 -17.327 -10.374 -5.007 44 H MET 10 H MET 10 -12.911 -7.848 -4.984 45 HA MET 10 HA MET 10 -14.190 -5.883 -3.436 46 HB2 MET 10 HB2 MET 10 -12.448 -6.180 -1.471 47 HB3 MET 10 HB3 MET 10 -13.994 -7.010 -1.441 48 HG2 MET 10 HG2 MET 10 -12.816 -9.002 -2.426 49 HG3 MET 10 HG3 MET 10 -11.301 -8.147 -2.134 50 HE1 MET 10 HE1 MET 10 -10.561 -10.335 -0.707 51 HE2 MET 10 HE2 MET 10 -11.490 -10.949 0.661 52 HE3 MET 10 HE3 MET 10 -12.147 -11.062 -0.973 53 H LEU 11 H LEU 11 -10.880 -6.579 -2.710 54 HA LEU 11 HA LEU 11 -8.915 -5.625 -3.313 55 HB2 LEU 11 HB2 LEU 11 -10.276 -5.876 -5.987 56 HB3 LEU 11 HB3 LEU 11 -8.622 -5.323 -5.828 57 HG LEU 11 HG LEU 11 -8.593 -7.643 -6.418 58 HD11 LEU 11 HD11 LEU 11 -7.934 -7.278 -3.502 59 HD12 LEU 11 HD12 LEU 11 -7.374 -8.610 -4.516 60 HD13 LEU 11 HD13 LEU 11 -6.873 -6.956 -4.874 61 HD21 LEU 11 HD21 LEU 11 -10.386 -8.104 -4.041 62 HD22 LEU 11 HD22 LEU 11 -10.796 -8.327 -5.742 63 HD23 LEU 11 HD23 LEU 11 -9.602 -9.377 -4.979 64 HA PRO 12 HA PRO 12 -10.630 -1.292 -3.406 65 HB2 PRO 12 HB2 PRO 12 -9.003 -0.964 -0.991 66 HB3 PRO 12 HB3 PRO 12 -10.721 -0.640 -1.232 67 HG2 PRO 12 HG2 PRO 12 -9.832 -2.691 0.286 68 HG3 PRO 12 HG3 PRO 12 -11.342 -2.771 -0.639 69 HD2 PRO 12 HD2 PRO 12 -8.659 -3.934 -1.286 70 HD3 PRO 12 HD3 PRO 12 -10.277 -4.638 -1.497 71 H ARG 13 H ARG 13 -9.425 0.560 -3.991 72 HA ARG 13 HA ARG 13 -6.790 -0.178 -4.991 73 HB2 ARG 13 HB2 ARG 13 -7.038 2.056 -6.258 74 HB3 ARG 13 HB3 ARG 13 -8.027 0.695 -6.753 75 HG2 ARG 13 HG2 ARG 13 -9.104 2.719 -4.833 76 HG3 ARG 13 HG3 ARG 13 -9.086 3.046 -6.566 77 HD2 ARG 13 HD2 ARG 13 -10.371 0.995 -6.961 78 HD3 ARG 13 HD3 ARG 13 -10.381 0.669 -5.230 79 HE ARG 13 HE ARG 13 -11.504 3.154 -5.450 80 HH11 ARG 13 HH11 ARG 13 -12.179 0.000 -6.819 81 HH12 ARG 13 HH12 ARG 13 -13.885 0.306 -7.006 82 HH21 ARG 13 HH21 ARG 13 -13.725 3.558 -5.657 83 HH22 ARG 13 HH22 ARG 13 -14.772 2.326 -6.317 84 H LEU 14 H LEU 14 -4.975 0.519 -4.167 85 HA LEU 14 HA LEU 14 -4.998 2.592 -2.107 86 HB2 LEU 14 HB2 LEU 14 -3.785 0.493 -1.661 87 HB3 LEU 14 HB3 LEU 14 -2.791 0.760 -3.080 88 HG LEU 14 HG LEU 14 -1.880 2.810 -2.004 89 HD11 LEU 14 HD11 LEU 14 -3.408 1.826 0.398 90 HD12 LEU 14 HD12 LEU 14 -2.232 3.140 0.389 91 HD13 LEU 14 HD13 LEU 14 -3.740 3.299 -0.513 92 HD21 LEU 14 HD21 LEU 14 -0.483 1.616 -0.366 93 HD22 LEU 14 HD22 LEU 14 -1.572 0.232 -0.476 94 HD23 LEU 14 HD23 LEU 14 -0.642 0.738 -1.887 95 H CYS 15 H CYS 15 -4.705 4.637 -2.752 96 HA CYS 15 HA CYS 15 -3.489 5.019 -5.406 97 HB2 CYS 15 HB2 CYS 15 -5.373 6.839 -3.896 98 HB3 CYS 15 HB3 CYS 15 -4.790 7.078 -5.540 99 HG CYS 15 HG CYS 15 -7.100 4.863 -4.403 100 H CYS 16 H CYS 16 -1.468 5.708 -5.352 101 HA CYS 16 HA CYS 16 -0.556 7.374 -3.151 102 HB2 CYS 16 HB2 CYS 16 1.649 7.261 -4.454 103 HB3 CYS 16 HB3 CYS 16 1.057 5.757 -3.759 104 HG CYS 16 HG CYS 16 0.804 4.420 -5.963 105 H LEU 17 H LEU 17 -1.147 9.405 -3.259 106 HA LEU 17 HA LEU 17 -1.567 10.685 -5.841 107 HB2 LEU 17 HB2 LEU 17 -2.550 11.039 -3.121 108 HB3 LEU 17 HB3 LEU 17 -2.091 12.555 -3.863 109 HG LEU 17 HG LEU 17 -4.431 12.214 -4.220 110 HD11 LEU 17 HD11 LEU 17 -3.087 11.540 -6.818 111 HD12 LEU 17 HD12 LEU 17 -4.557 12.477 -6.555 112 HD13 LEU 17 HD13 LEU 17 -2.999 13.133 -6.066 113 HD21 LEU 17 HD21 LEU 17 -5.290 10.268 -5.447 114 HD22 LEU 17 HD22 LEU 17 -3.676 9.558 -5.432 115 HD23 LEU 17 HD23 LEU 17 -4.541 9.813 -3.916 116 H GLU 18 H GLU 18 -0.417 12.367 -6.613 117 HA GLU 18 HA GLU 18 2.140 12.934 -5.306 118 HB2 GLU 18 HB2 GLU 18 1.278 13.856 -8.047 119 HB3 GLU 18 HB3 GLU 18 2.913 13.694 -7.422 120 HG2 GLU 18 HG2 GLU 18 2.709 11.281 -7.441 121 HG3 GLU 18 HG3 GLU 18 1.038 11.408 -7.986 122 H LYS 19 H LYS 19 2.455 14.809 -4.256 123 HA LYS 19 HA LYS 19 0.438 16.811 -4.113 124 HB2 LYS 19 HB2 LYS 19 1.954 16.463 -2.247 125 HB3 LYS 19 HB3 LYS 19 3.341 16.848 -3.254 126 HG2 LYS 19 HG2 LYS 19 2.851 18.711 -1.820 127 HG3 LYS 19 HG3 LYS 19 2.503 19.151 -3.489 128 HD2 LYS 19 HD2 LYS 19 0.769 19.996 -2.043 129 HD3 LYS 19 HD3 LYS 19 0.116 18.733 -3.082 130 HE2 LYS 19 HE2 LYS 19 -0.717 18.551 -0.796 131 HE3 LYS 19 HE3 LYS 19 0.230 17.140 -1.255 132 HZ1 LYS 19 HZ1 LYS 19 0.666 18.032 1.028 133 HZ2 LYS 19 HZ2 LYS 19 2.043 17.878 0.059 134 HZ3 LYS 19 HZ3 LYS 19 1.352 19.406 0.311 135 H GLY 20 H GLY 20 -0.089 17.861 -5.920 136 HA2 GLY 20 HA2 GLY 20 2.013 18.642 -7.802 137 HA3 GLY 20 HA3 GLY 20 0.285 18.634 -8.122 138 HA PRO 21 HA PRO 21 0.653 23.035 -7.929 139 HB2 PRO 21 HB2 PRO 21 -2.042 23.575 -7.671 140 HB3 PRO 21 HB3 PRO 21 -1.221 23.260 -9.201 141 HG2 PRO 21 HG2 PRO 21 -2.854 21.419 -7.514 142 HG3 PRO 21 HG3 PRO 21 -2.772 21.552 -9.280 143 HD2 PRO 21 HD2 PRO 21 -1.522 19.582 -7.926 144 HD3 PRO 21 HD3 PRO 21 -0.848 20.283 -9.411 145 H ASN 22 H ASN 22 -2.062 22.050 -5.861 146 HA ASN 22 HA ASN 22 -0.716 23.198 -3.526 147 HB2 ASN 22 HB2 ASN 22 -2.796 24.409 -2.907 148 HB3 ASN 22 HB3 ASN 22 -2.101 25.008 -4.409 149 HD21 ASN 22 HD21 ASN 22 -4.695 23.147 -2.999 150 HD22 ASN 22 HD22 ASN 22 -5.730 23.191 -4.381 151 H GLY 23 H GLY 23 -1.378 20.485 -4.475 152 HA2 GLY 23 HA2 GLY 23 -2.357 19.111 -2.376 153 HA3 GLY 23 HA3 GLY 23 -3.819 19.698 -3.157 154 H TYR 24 H TYR 24 -4.714 18.111 -4.295 155 HA TYR 24 HA TYR 24 -2.933 16.382 -5.869 156 HB2 TYR 24 HB2 TYR 24 -5.121 15.403 -4.028 157 HB3 TYR 24 HB3 TYR 24 -4.125 14.392 -5.076 158 HD1 TYR 24 HD1 TYR 24 -1.626 14.374 -4.689 159 HD2 TYR 24 HD2 TYR 24 -4.360 16.003 -1.875 160 HE1 TYR 24 HE1 TYR 24 0.102 14.245 -2.956 161 HE2 TYR 24 HE2 TYR 24 -2.636 15.874 -0.120 162 HH TYR 24 HH TYR 24 0.680 15.028 -0.886 163 H GLY 25 H GLY 25 -5.937 18.049 -5.598 164 HA2 GLY 25 HA2 GLY 25 -6.815 18.905 -7.650 165 HA3 GLY 25 HA3 GLY 25 -6.295 17.438 -8.454 166 H PHE 26 H PHE 26 -8.020 17.203 -5.400 167 HA PHE 26 HA PHE 26 -10.519 16.832 -6.863 168 HB2 PHE 26 HB2 PHE 26 -10.995 14.706 -5.677 169 HB3 PHE 26 HB3 PHE 26 -9.639 14.594 -6.787 170 HD1 PHE 26 HD1 PHE 26 -7.317 14.531 -5.878 171 HD2 PHE 26 HD2 PHE 26 -10.754 14.257 -3.379 172 HE1 PHE 26 HE1 PHE 26 -5.936 13.568 -4.086 173 HE2 PHE 26 HE2 PHE 26 -9.370 13.306 -1.581 174 HZ PHE 26 HZ PHE 26 -6.961 12.959 -1.935 175 H HIS 27 H HIS 27 -12.416 16.777 -5.505 176 HA HIS 27 HA HIS 27 -12.039 18.434 -3.097 177 HB2 HIS 27 HB2 HIS 27 -14.467 17.989 -4.851 178 HB3 HIS 27 HB3 HIS 27 -14.510 18.882 -3.340 179 HD1 HIS 27 HD1 HIS 27 -13.777 21.297 -3.388 180 HD2 HIS 27 HD2 HIS 27 -13.086 19.300 -6.969 181 HE1 HIS 27 HE1 HIS 27 -13.242 23.089 -5.071 182 HE2 HIS 27 HE2 HIS 27 -13.054 21.869 -7.273 183 H LEU 28 H LEU 28 -12.287 17.456 -1.166 184 HA LEU 28 HA LEU 28 -13.935 15.016 -1.098 185 HB2 LEU 28 HB2 LEU 28 -11.460 14.840 -0.510 186 HB3 LEU 28 HB3 LEU 28 -11.827 15.785 0.920 187 HG LEU 28 HG LEU 28 -13.328 13.245 0.385 188 HD11 LEU 28 HD11 LEU 28 -10.653 13.441 1.755 189 HD12 LEU 28 HD12 LEU 28 -11.664 12.001 1.628 190 HD13 LEU 28 HD13 LEU 28 -10.946 12.705 0.178 191 HD21 LEU 28 HD21 LEU 28 -14.100 14.711 2.184 192 HD22 LEU 28 HD22 LEU 28 -13.477 13.187 2.815 193 HD23 LEU 28 HD23 LEU 28 -12.498 14.650 2.921 194 H HIS 29 H HIS 29 -15.769 15.130 0.001 195 HA HIS 29 HA HIS 29 -16.170 17.498 1.702 196 HB2 HIS 29 HB2 HIS 29 -18.581 17.267 1.249 197 HB3 HIS 29 HB3 HIS 29 -17.653 17.499 -0.226 198 HD1 HIS 29 HD1 HIS 29 -19.777 14.976 1.575 199 HD2 HIS 29 HD2 HIS 29 -17.686 15.343 -2.006 200 HE1 HIS 29 HE1 HIS 29 -20.602 13.108 0.107 201 HE2 HIS 29 HE2 HIS 29 -19.278 13.306 -2.032 202 H GLY 30 H GLY 30 -17.001 17.294 3.740 203 HA2 GLY 30 HA2 GLY 30 -17.751 14.567 4.578 204 HA3 GLY 30 HA3 GLY 30 -16.629 15.510 5.549 205 H GLU 31 H GLU 31 -19.632 14.501 5.502 206 HA GLU 31 HA GLU 31 -20.628 16.848 6.939 207 HB2 GLU 31 HB2 GLU 31 -22.937 16.224 6.020 208 HB3 GLU 31 HB3 GLU 31 -21.829 17.066 4.951 209 HG2 GLU 31 HG2 GLU 31 -21.993 14.083 4.896 210 HG3 GLU 31 HG3 GLU 31 -23.207 15.062 4.071 211 H LYS 32 H LYS 32 -22.393 16.367 8.422 212 HA LYS 32 HA LYS 32 -23.759 15.074 9.717 213 HB2 LYS 32 HB2 LYS 32 -23.954 13.299 8.172 214 HB3 LYS 32 HB3 LYS 32 -22.297 12.781 8.430 215 HG2 LYS 32 HG2 LYS 32 -22.852 11.987 10.644 216 HG3 LYS 32 HG3 LYS 32 -24.502 12.592 10.473 217 HD2 LYS 32 HD2 LYS 32 -24.243 10.133 10.060 218 HD3 LYS 32 HD3 LYS 32 -24.971 11.031 8.726 219 HE2 LYS 32 HE2 LYS 32 -22.769 11.109 7.616 220 HE3 LYS 32 HE3 LYS 32 -22.093 10.148 8.930 221 HZ1 LYS 32 HZ1 LYS 32 -24.389 9.187 7.336 222 HZ2 LYS 32 HZ2 LYS 32 -22.795 8.940 6.825 223 HZ3 LYS 32 HZ3 LYS 32 -23.323 8.288 8.300 224 H GLY 33 H GLY 33 -20.316 14.070 9.769 225 HA2 GLY 33 HA2 GLY 33 -19.775 15.183 12.229 226 HA3 GLY 33 HA3 GLY 33 -20.404 13.586 12.593 227 H LYS 34 H LYS 34 -19.212 11.740 11.973 228 HA LYS 34 HA LYS 34 -16.352 12.337 11.657 229 HB2 LYS 34 HB2 LYS 34 -17.739 9.866 12.731 230 HB3 LYS 34 HB3 LYS 34 -15.999 10.059 12.587 231 HG2 LYS 34 HG2 LYS 34 -16.052 11.876 14.197 232 HG3 LYS 34 HG3 LYS 34 -17.808 11.732 14.316 233 HD2 LYS 34 HD2 LYS 34 -17.613 9.508 15.221 234 HD3 LYS 34 HD3 LYS 34 -15.867 9.512 14.964 235 HE2 LYS 34 HE2 LYS 34 -17.399 11.314 16.836 236 HE3 LYS 34 HE3 LYS 34 -16.408 9.932 17.302 237 HZ1 LYS 34 HZ1 LYS 34 -15.537 12.528 16.184 238 HZ2 LYS 34 HZ2 LYS 34 -15.040 11.768 17.619 239 HZ3 LYS 34 HZ3 LYS 34 -14.535 11.157 16.124 240 H LEU 35 H LEU 35 -18.633 9.746 10.863 241 HA LEU 35 HA LEU 35 -17.039 8.911 8.661 242 HB2 LEU 35 HB2 LEU 35 -19.776 8.059 9.575 243 HB3 LEU 35 HB3 LEU 35 -18.931 7.340 8.216 244 HG LEU 35 HG LEU 35 -17.033 6.977 9.989 245 HD11 LEU 35 HD11 LEU 35 -17.847 6.527 12.206 246 HD12 LEU 35 HD12 LEU 35 -18.183 8.203 11.766 247 HD13 LEU 35 HD13 LEU 35 -19.479 7.009 11.736 248 HD21 LEU 35 HD21 LEU 35 -19.525 5.289 9.871 249 HD22 LEU 35 HD22 LEU 35 -18.189 5.245 8.718 250 HD23 LEU 35 HD23 LEU 35 -17.928 4.750 10.391 251 H GLY 36 H GLY 36 -17.025 9.711 6.765 252 HA2 GLY 36 HA2 GLY 36 -19.005 10.271 5.021 253 HA3 GLY 36 HA3 GLY 36 -18.955 11.726 6.010 254 H GLN 37 H GLN 37 -16.364 9.605 4.796 255 HA GLN 37 HA GLN 37 -15.111 11.970 3.598 256 HB2 GLN 37 HB2 GLN 37 -14.058 9.155 3.994 257 HB3 GLN 37 HB3 GLN 37 -13.152 10.466 3.264 258 HG2 GLN 37 HG2 GLN 37 -12.383 10.220 5.484 259 HG3 GLN 37 HG3 GLN 37 -13.339 11.697 5.427 260 HE21 GLN 37 HE21 GLN 37 -13.592 11.583 7.682 261 HE22 GLN 37 HE22 GLN 37 -14.710 10.486 8.412 262 H TYR 38 H TYR 38 -15.659 12.352 1.529 263 HA TYR 38 HA TYR 38 -15.849 10.096 -0.310 264 HB2 TYR 38 HB2 TYR 38 -18.066 12.122 0.066 265 HB3 TYR 38 HB3 TYR 38 -17.985 10.965 -1.257 266 HD1 TYR 38 HD2 TYR 38 -17.994 8.496 -0.676 267 HD2 TYR 38 HD1 TYR 38 -19.050 11.526 2.117 268 HE1 TYR 38 HE2 TYR 38 -19.146 6.822 0.697 269 HE2 TYR 38 HE1 TYR 38 -20.204 9.853 3.499 270 HH TYR 38 HH TYR 38 -21.293 7.578 3.111 271 H ILE 39 H ILE 39 -15.147 10.519 -2.298 272 HA ILE 39 HA ILE 39 -14.035 13.111 -2.890 273 HB ILE 39 HB ILE 39 -14.315 10.759 -4.763 274 HG12 ILE 39 HG12 ILE 39 -13.162 9.997 -2.765 275 HG13 ILE 39 HG13 ILE 39 -12.006 10.157 -4.081 276 HG21 ILE 39 HG21 ILE 39 -13.766 12.882 -5.831 277 HG22 ILE 39 HG22 ILE 39 -12.397 13.085 -4.738 278 HG23 ILE 39 HG23 ILE 39 -12.403 11.764 -5.906 279 HD11 ILE 39 HD11 ILE 39 -12.419 12.121 -1.844 280 HD12 ILE 39 HD12 ILE 39 -11.091 10.970 -1.989 281 HD13 ILE 39 HD13 ILE 39 -11.254 12.283 -3.156 282 H ARG 40 H ARG 40 -15.203 14.722 -3.691 283 HA ARG 40 HA ARG 40 -17.884 14.229 -4.691 284 HB2 ARG 40 HB2 ARG 40 -17.101 16.101 -3.082 285 HB3 ARG 40 HB3 ARG 40 -16.510 16.903 -4.525 286 HG2 ARG 40 HG2 ARG 40 -19.363 16.021 -4.299 287 HG3 ARG 40 HG3 ARG 40 -18.814 17.544 -3.604 288 HD2 ARG 40 HD2 ARG 40 -17.851 17.983 -5.974 289 HD3 ARG 40 HD3 ARG 40 -18.971 16.715 -6.477 290 HE ARG 40 HE ARG 40 -20.243 18.693 -4.853 291 HH11 ARG 40 HH11 ARG 40 -19.250 17.971 -8.152 292 HH12 ARG 40 HH12 ARG 40 -20.351 19.123 -8.854 293 HH21 ARG 40 HH21 ARG 40 -21.659 20.187 -5.779 294 HH22 ARG 40 HH22 ARG 40 -21.704 20.402 -7.501 295 H LEU 41 H LEU 41 -14.889 15.727 -5.848 296 HA LEU 41 HA LEU 41 -15.673 15.187 -8.595 297 HB2 LEU 41 HB2 LEU 41 -16.590 17.442 -7.978 298 HB3 LEU 41 HB3 LEU 41 -14.953 17.979 -7.674 299 HG LEU 41 HG LEU 41 -16.062 18.609 -9.909 300 HD11 LEU 41 HD11 LEU 41 -13.959 18.503 -11.103 301 HD12 LEU 41 HD12 LEU 41 -13.692 18.954 -9.420 302 HD13 LEU 41 HD13 LEU 41 -13.348 17.310 -9.957 303 HD21 LEU 41 HD21 LEU 41 -16.914 16.373 -10.438 304 HD22 LEU 41 HD22 LEU 41 -15.852 16.996 -11.703 305 HD23 LEU 41 HD23 LEU 41 -15.257 15.784 -10.566 306 H VAL 42 H VAL 42 -13.980 14.669 -9.810 307 HA VAL 42 HA VAL 42 -11.273 15.104 -8.719 308 HB VAL 42 HB VAL 42 -12.193 12.954 -10.653 309 HG11 VAL 42 HG11 VAL 42 -9.530 13.366 -9.300 310 HG12 VAL 42 HG12 VAL 42 -9.968 11.990 -10.313 311 HG13 VAL 42 HG13 VAL 42 -9.877 13.608 -11.012 312 HG21 VAL 42 HG21 VAL 42 -13.080 12.545 -8.433 313 HG22 VAL 42 HG22 VAL 42 -11.802 11.387 -8.805 314 HG23 VAL 42 HG23 VAL 42 -11.474 12.748 -7.730 315 H GLU 43 H GLU 43 -9.888 16.286 -9.941 316 HA GLU 43 HA GLU 43 -10.968 17.466 -12.355 317 HB2 GLU 43 HB2 GLU 43 -10.028 18.917 -10.636 318 HB3 GLU 43 HB3 GLU 43 -8.494 18.067 -10.726 319 HG2 GLU 43 HG2 GLU 43 -7.942 19.002 -12.744 320 HG3 GLU 43 HG3 GLU 43 -9.616 19.379 -13.152 321 HA PRO 44 HA PRO 44 -8.891 14.573 -14.989 322 HB2 PRO 44 HB2 PRO 44 -8.865 16.173 -17.237 323 HB3 PRO 44 HB3 PRO 44 -10.244 15.195 -16.717 324 HG2 PRO 44 HG2 PRO 44 -9.705 18.106 -16.285 325 HG3 PRO 44 HG3 PRO 44 -11.223 17.303 -16.721 326 HD2 PRO 44 HD2 PRO 44 -10.774 18.108 -14.220 327 HD3 PRO 44 HD3 PRO 44 -11.608 16.573 -14.547 328 H GLY 45 H GLY 45 -7.775 17.809 -14.424 329 HA2 GLY 45 HA2 GLY 45 -5.129 17.129 -15.502 330 HA3 GLY 45 HA3 GLY 45 -5.691 18.750 -15.114 331 H SER 46 H SER 46 -5.807 15.785 -13.154 332 HA SER 46 HA SER 46 -3.866 17.022 -11.317 333 HB2 SER 46 HB2 SER 46 -5.159 16.189 -9.427 334 HB3 SER 46 HB3 SER 46 -6.201 17.183 -10.444 335 HG SER 46 HG SER 46 -7.190 15.377 -11.216 336 HA PRO 47 HA PRO 47 -2.157 12.807 -11.156 337 HB2 PRO 47 HB2 PRO 47 -1.857 12.889 -8.257 338 HB3 PRO 47 HB3 PRO 47 -0.608 12.908 -9.504 339 HG2 PRO 47 HG2 PRO 47 -1.153 15.059 -7.954 340 HG3 PRO 47 HG3 PRO 47 -0.578 15.199 -9.626 341 HD2 PRO 47 HD2 PRO 47 -3.368 15.450 -8.558 342 HD3 PRO 47 HD3 PRO 47 -2.534 16.447 -9.771 343 H ALA 48 H ALA 48 -4.998 13.694 -9.519 344 HA ALA 48 HA ALA 48 -5.443 11.521 -7.815 345 HB1 ALA 48 HB1 ALA 48 -7.480 13.301 -9.139 346 HB2 ALA 48 HB2 ALA 48 -7.754 12.280 -7.726 347 HB3 ALA 48 HB3 ALA 48 -6.635 13.639 -7.627 348 H GLU 49 H GLU 49 -6.704 12.021 -11.139 349 HA GLU 49 HA GLU 49 -8.050 9.506 -11.062 350 HB2 GLU 49 HB2 GLU 49 -8.116 9.954 -13.673 351 HB3 GLU 49 HB3 GLU 49 -9.166 10.798 -12.549 352 HG2 GLU 49 HG2 GLU 49 -8.314 12.371 -14.112 353 HG3 GLU 49 HG3 GLU 49 -7.560 12.689 -12.553 354 H LYS 50 H LYS 50 -4.878 10.522 -12.138 355 HA LYS 50 HA LYS 50 -4.086 8.149 -13.429 356 HB2 LYS 50 HB2 LYS 50 -2.388 9.962 -11.704 357 HB3 LYS 50 HB3 LYS 50 -1.781 8.766 -12.834 358 HG2 LYS 50 HG2 LYS 50 -2.860 10.046 -14.672 359 HG3 LYS 50 HG3 LYS 50 -3.278 11.288 -13.491 360 HD2 LYS 50 HD2 LYS 50 -0.522 10.393 -14.324 361 HD3 LYS 50 HD3 LYS 50 -1.258 11.977 -14.570 362 HE2 LYS 50 HE2 LYS 50 -1.303 12.307 -12.129 363 HE3 LYS 50 HE3 LYS 50 -0.524 10.742 -11.916 364 HZ1 LYS 50 HZ1 LYS 50 1.332 11.673 -13.326 365 HZ2 LYS 50 HZ2 LYS 50 0.611 13.194 -13.130 366 HZ3 LYS 50 HZ3 LYS 50 1.169 12.343 -11.774 367 H ALA 51 H ALA 51 -4.351 8.985 -10.039 368 HA ALA 51 HA ALA 51 -2.838 6.778 -9.052 369 HB1 ALA 51 HB1 ALA 51 -3.192 8.905 -7.812 370 HB2 ALA 51 HB2 ALA 51 -4.875 8.433 -7.565 371 HB3 ALA 51 HB3 ALA 51 -3.576 7.462 -6.873 372 H GLY 52 H GLY 52 -6.080 7.176 -10.105 373 HA2 GLY 52 HA2 GLY 52 -7.376 5.193 -10.616 374 HA3 GLY 52 HA3 GLY 52 -6.697 4.443 -9.178 375 H LEU 53 H LEU 53 -7.363 7.600 -8.512 376 HA LEU 53 HA LEU 53 -9.531 7.001 -6.778 377 HB2 LEU 53 HB2 LEU 53 -7.736 8.780 -6.500 378 HB3 LEU 53 HB3 LEU 53 -8.636 9.730 -7.666 379 HG LEU 53 HG LEU 53 -10.629 9.437 -6.066 380 HD11 LEU 53 HD11 LEU 53 -9.714 7.698 -4.683 381 HD12 LEU 53 HD12 LEU 53 -8.326 8.705 -4.270 382 HD13 LEU 53 HD13 LEU 53 -9.940 9.150 -3.707 383 HD21 LEU 53 HD21 LEU 53 -8.243 11.096 -5.275 384 HD22 LEU 53 HD22 LEU 53 -9.475 11.542 -6.453 385 HD23 LEU 53 HD23 LEU 53 -9.907 11.366 -4.752 386 H LEU 54 H LEU 54 -11.681 7.100 -7.159 387 HA LEU 54 HA LEU 54 -12.552 8.409 -9.647 388 HB2 LEU 54 HB2 LEU 54 -13.788 6.084 -8.164 389 HB3 LEU 54 HB3 LEU 54 -14.510 6.869 -9.555 390 HG LEU 54 HG LEU 54 -11.871 5.407 -9.565 391 HD11 LEU 54 HD11 LEU 54 -13.067 3.721 -10.879 392 HD12 LEU 54 HD12 LEU 54 -13.728 3.878 -9.251 393 HD13 LEU 54 HD13 LEU 54 -14.576 4.598 -10.621 394 HD21 LEU 54 HD21 LEU 54 -12.038 5.634 -12.002 395 HD22 LEU 54 HD22 LEU 54 -13.487 6.621 -11.804 396 HD23 LEU 54 HD23 LEU 54 -11.935 7.200 -11.198 397 H ALA 55 H ALA 55 -14.716 9.343 -9.589 398 HA ALA 55 HA ALA 55 -15.072 10.983 -7.273 399 HB1 ALA 55 HB1 ALA 55 -16.816 10.683 -9.718 400 HB2 ALA 55 HB2 ALA 55 -16.946 11.960 -8.509 401 HB3 ALA 55 HB3 ALA 55 -15.506 11.847 -9.519 402 H GLY 56 H GLY 56 -15.715 9.904 -5.504 403 HA2 GLY 56 HA2 GLY 56 -18.043 9.430 -4.547 404 HA3 GLY 56 HA3 GLY 56 -18.043 8.115 -5.714 405 H ASP 57 H ASP 57 -14.948 8.242 -4.940 406 HA ASP 57 HA ASP 57 -15.006 5.900 -3.379 407 HB2 ASP 57 HB2 ASP 57 -12.886 7.760 -4.327 408 HB3 ASP 57 HB3 ASP 57 -12.487 6.650 -3.027 409 H ARG 58 H ARG 58 -14.450 5.496 -1.285 410 HA ARG 58 HA ARG 58 -14.672 7.752 0.595 411 HB2 ARG 58 HB2 ARG 58 -14.808 4.831 1.330 412 HB3 ARG 58 HB3 ARG 58 -15.425 6.211 2.226 413 HG2 ARG 58 HG2 ARG 58 -17.205 6.509 0.654 414 HG3 ARG 58 HG3 ARG 58 -16.538 5.261 -0.401 415 HD2 ARG 58 HD2 ARG 58 -18.098 4.009 0.679 416 HD3 ARG 58 HD3 ARG 58 -16.759 3.809 1.806 417 HE ARG 58 HE ARG 58 -18.755 5.917 2.264 418 HH11 ARG 58 HH11 ARG 58 -17.058 3.053 3.331 419 HH12 ARG 58 HH12 ARG 58 -17.892 2.969 4.854 420 HH21 ARG 58 HH21 ARG 58 -19.861 5.818 4.258 421 HH22 ARG 58 HH22 ARG 58 -19.499 4.538 5.377 422 H LEU 59 H LEU 59 -13.042 8.160 2.033 423 HA LEU 59 HA LEU 59 -10.454 6.999 1.597 424 HB2 LEU 59 HB2 LEU 59 -11.593 9.215 3.110 425 HB3 LEU 59 HB3 LEU 59 -10.347 8.372 4.010 426 HG LEU 59 HG LEU 59 -9.501 10.322 2.739 427 HD11 LEU 59 HD11 LEU 59 -7.585 9.163 1.726 428 HD12 LEU 59 HD12 LEU 59 -7.988 8.533 3.325 429 HD13 LEU 59 HD13 LEU 59 -8.451 7.633 1.878 430 HD21 LEU 59 HD21 LEU 59 -10.985 10.187 0.813 431 HD22 LEU 59 HD22 LEU 59 -9.297 10.168 0.307 432 HD23 LEU 59 HD23 LEU 59 -10.230 8.672 0.323 433 H VAL 60 H VAL 60 -9.984 5.018 2.277 434 HA VAL 60 HA VAL 60 -11.327 3.897 4.598 435 HB VAL 60 HB VAL 60 -9.285 2.646 2.749 436 HG11 VAL 60 HG11 VAL 60 -11.068 1.398 4.837 437 HG12 VAL 60 HG12 VAL 60 -10.051 0.514 3.701 438 HG13 VAL 60 HG13 VAL 60 -9.312 1.557 4.918 439 HG21 VAL 60 HG21 VAL 60 -12.292 2.400 2.798 440 HG22 VAL 60 HG22 VAL 60 -11.330 3.217 1.566 441 HG23 VAL 60 HG23 VAL 60 -11.205 1.469 1.766 442 H GLU 61 H GLU 61 -7.944 4.357 3.533 443 HA GLU 61 HA GLU 61 -7.248 4.850 6.320 444 HB2 GLU 61 HB2 GLU 61 -5.295 3.367 6.211 445 HB3 GLU 61 HB3 GLU 61 -6.793 2.477 6.010 446 HG2 GLU 61 HG2 GLU 61 -5.382 1.517 4.457 447 HG3 GLU 61 HG3 GLU 61 -6.319 2.655 3.493 448 H VAL 62 H VAL 62 -5.024 5.736 6.528 449 HA VAL 62 HA VAL 62 -4.022 6.969 4.061 450 HB VAL 62 HB VAL 62 -4.397 8.395 6.708 451 HG11 VAL 62 HG11 VAL 62 -3.330 10.338 5.615 452 HG12 VAL 62 HG12 VAL 62 -2.221 8.983 5.823 453 HG13 VAL 62 HG13 VAL 62 -2.925 9.312 4.240 454 HG21 VAL 62 HG21 VAL 62 -5.464 8.983 3.951 455 HG22 VAL 62 HG22 VAL 62 -6.390 8.360 5.315 456 HG23 VAL 62 HG23 VAL 62 -5.708 9.985 5.380 457 H ASN 63 H ASN 63 -2.175 5.983 3.766 458 HA ASN 63 HA ASN 63 -0.122 5.080 4.074 459 HB2 ASN 63 HB2 ASN 63 0.041 7.359 6.045 460 HB3 ASN 63 HB3 ASN 63 1.424 6.376 5.577 461 HD21 ASN 63 HD21 ASN 63 -0.713 8.897 4.687 462 HD22 ASN 63 HD22 ASN 63 0.062 9.330 3.209 463 H GLY 64 H GLY 64 -2.106 3.676 5.537 464 HA2 GLY 64 HA2 GLY 64 -1.216 1.632 6.598 465 HA3 GLY 64 HA3 GLY 64 -0.317 2.681 7.676 466 H GLU 65 H GLU 65 -2.649 4.500 8.117 467 HA GLU 65 HA GLU 65 -3.930 2.669 10.030 468 HB2 GLU 65 HB2 GLU 65 -4.398 4.630 11.428 469 HB3 GLU 65 HB3 GLU 65 -2.682 4.411 11.130 470 HG2 GLU 65 HG2 GLU 65 -2.704 6.200 9.503 471 HG3 GLU 65 HG3 GLU 65 -4.447 6.386 9.705 472 H ASN 66 H ASN 66 -6.033 2.479 10.260 473 HA ASN 66 HA ASN 66 -7.730 3.093 8.069 474 HB2 ASN 66 HB2 ASN 66 -7.898 1.083 9.569 475 HB3 ASN 66 HB3 ASN 66 -8.487 2.142 10.842 476 HD21 ASN 66 HD21 ASN 66 -9.320 2.441 7.441 477 HD22 ASN 66 HD22 ASN 66 -10.991 2.008 7.623 478 H VAL 67 H VAL 67 -8.644 5.031 7.676 479 HA VAL 67 HA VAL 67 -9.046 6.836 9.975 480 HB VAL 67 HB VAL 67 -8.804 8.716 8.424 481 HG11 VAL 67 HG11 VAL 67 -6.519 6.755 8.335 482 HG12 VAL 67 HG12 VAL 67 -6.395 8.474 7.966 483 HG13 VAL 67 HG13 VAL 67 -6.833 7.951 9.593 484 HG21 VAL 67 HG21 VAL 67 -8.146 6.630 6.346 485 HG22 VAL 67 HG22 VAL 67 -9.612 7.611 6.393 486 HG23 VAL 67 HG23 VAL 67 -8.043 8.377 6.135 487 H GLU 68 H GLU 68 -10.877 4.835 8.409 488 HA GLU 68 HA GLU 68 -12.886 6.511 7.253 489 HB2 GLU 68 HB2 GLU 68 -14.191 4.450 7.035 490 HB3 GLU 68 HB3 GLU 68 -12.540 4.227 6.466 491 HG2 GLU 68 HG2 GLU 68 -11.971 3.175 8.613 492 HG3 GLU 68 HG3 GLU 68 -13.651 3.343 9.118 493 H LYS 69 H LYS 69 -12.062 6.022 10.407 494 HA LYS 69 HA LYS 69 -14.813 6.590 11.297 495 HB2 LYS 69 HB2 LYS 69 -12.614 5.432 13.016 496 HB3 LYS 69 HB3 LYS 69 -14.309 5.619 13.440 497 HG2 LYS 69 HG2 LYS 69 -13.246 3.782 11.301 498 HG3 LYS 69 HG3 LYS 69 -13.702 3.294 12.932 499 HD2 LYS 69 HD2 LYS 69 -15.567 4.554 10.922 500 HD3 LYS 69 HD3 LYS 69 -15.446 2.823 11.232 501 HE2 LYS 69 HE2 LYS 69 -16.034 3.297 13.621 502 HE3 LYS 69 HE3 LYS 69 -16.342 4.970 13.152 503 HZ1 LYS 69 HZ1 LYS 69 -18.408 3.828 13.129 504 HZ2 LYS 69 HZ2 LYS 69 -17.973 4.065 11.515 505 HZ3 LYS 69 HZ3 LYS 69 -17.779 2.541 12.221 506 H GLU 70 H GLU 70 -12.092 8.081 10.525 507 HA GLU 70 HA GLU 70 -11.683 9.787 12.812 508 HB2 GLU 70 HB2 GLU 70 -10.748 10.029 9.944 509 HB3 GLU 70 HB3 GLU 70 -10.229 11.071 11.260 510 HG2 GLU 70 HG2 GLU 70 -9.807 8.100 11.216 511 HG3 GLU 70 HG3 GLU 70 -8.635 9.266 10.620 512 H THR 71 H THR 71 -11.632 12.300 12.050 513 HA THR 71 HA THR 71 -14.361 12.893 11.221 514 HB THR 71 HB THR 71 -13.978 15.147 11.977 515 HG1 THR 71 HG1 THR 71 -11.807 15.655 12.842 516 HG21 THR 71 HG21 THR 71 -12.684 13.227 13.921 517 HG22 THR 71 HG22 THR 71 -13.372 14.803 14.323 518 HG23 THR 71 HG23 THR 71 -14.419 13.504 13.748 519 H HIS 72 H HIS 72 -14.610 14.788 9.668 520 HA HIS 72 HA HIS 72 -13.343 14.289 7.230 521 HB2 HIS 72 HB2 HIS 72 -15.448 15.471 7.298 522 HB3 HIS 72 HB3 HIS 72 -14.745 16.772 8.249 523 HD1 HIS 72 HD1 HIS 72 -14.168 15.230 4.811 524 HD2 HIS 72 HD2 HIS 72 -14.114 18.908 6.734 525 HE1 HIS 72 HE1 HIS 72 -13.652 16.915 3.022 526 HE2 HIS 72 HE2 HIS 72 -13.959 19.141 4.162 527 H GLN 73 H GLN 73 -12.670 16.741 9.699 528 HA GLN 73 HA GLN 73 -10.567 18.049 8.359 529 HB2 GLN 73 HB2 GLN 73 -11.796 18.953 10.309 530 HB3 GLN 73 HB3 GLN 73 -11.023 17.754 11.333 531 HG2 GLN 73 HG2 GLN 73 -8.837 18.746 10.798 532 HG3 GLN 73 HG3 GLN 73 -9.656 19.981 9.841 533 HE21 GLN 73 HE21 GLN 73 -8.900 21.650 11.155 534 HE22 GLN 73 HE22 GLN 73 -9.528 21.914 12.746 535 H GLN 74 H GLN 74 -10.547 15.380 10.691 536 HA GLN 74 HA GLN 74 -7.789 15.151 11.051 537 HB2 GLN 74 HB2 GLN 74 -10.050 13.184 11.266 538 HB3 GLN 74 HB3 GLN 74 -8.388 12.693 11.565 539 HG2 GLN 74 HG2 GLN 74 -9.668 14.994 13.006 540 HG3 GLN 74 HG3 GLN 74 -9.791 13.328 13.572 541 HE21 GLN 74 HE21 GLN 74 -7.988 12.282 14.319 542 HE22 GLN 74 HE22 GLN 74 -6.542 13.125 14.776 543 H VAL 75 H VAL 75 -9.895 13.552 8.684 544 HA VAL 75 HA VAL 75 -7.851 11.930 7.578 545 HB VAL 75 HB VAL 75 -10.423 12.826 6.263 546 HG11 VAL 75 HG11 VAL 75 -8.817 11.901 4.687 547 HG12 VAL 75 HG12 VAL 75 -8.638 10.468 5.701 548 HG13 VAL 75 HG13 VAL 75 -10.181 10.807 4.917 549 HG21 VAL 75 HG21 VAL 75 -9.848 10.389 7.944 550 HG22 VAL 75 HG22 VAL 75 -10.862 11.756 8.403 551 HG23 VAL 75 HG23 VAL 75 -11.350 10.706 7.074 552 H VAL 76 H VAL 76 -9.255 15.036 6.579 553 HA VAL 76 HA VAL 76 -7.844 15.245 4.148 554 HB VAL 76 HB VAL 76 -9.078 17.410 5.862 555 HG11 VAL 76 HG11 VAL 76 -8.185 17.574 2.984 556 HG12 VAL 76 HG12 VAL 76 -8.994 18.842 3.906 557 HG13 VAL 76 HG13 VAL 76 -7.363 18.333 4.348 558 HG21 VAL 76 HG21 VAL 76 -10.664 15.748 5.047 559 HG22 VAL 76 HG22 VAL 76 -10.902 17.295 4.232 560 HG23 VAL 76 HG23 VAL 76 -10.073 15.978 3.401 561 H SER 77 H SER 77 -7.079 16.344 7.421 562 HA SER 77 HA SER 77 -4.855 17.925 6.790 563 HB2 SER 77 HB2 SER 77 -5.986 17.882 9.010 564 HB3 SER 77 HB3 SER 77 -5.281 16.292 9.305 565 HG SER 77 HG SER 77 -4.076 18.809 9.279 566 H ARG 78 H ARG 78 -5.098 14.464 7.537 567 HA ARG 78 HA ARG 78 -2.351 13.885 7.480 568 HB2 ARG 78 HB2 ARG 78 -4.734 12.136 6.871 569 HB3 ARG 78 HB3 ARG 78 -3.091 11.538 7.057 570 HG2 ARG 78 HG2 ARG 78 -3.062 12.357 9.360 571 HG3 ARG 78 HG3 ARG 78 -4.719 12.932 9.167 572 HD2 ARG 78 HD2 ARG 78 -5.512 10.697 8.781 573 HD3 ARG 78 HD3 ARG 78 -3.866 10.071 8.779 574 HE ARG 78 HE ARG 78 -3.769 10.342 11.115 575 HH11 ARG 78 HH11 ARG 78 -6.864 11.320 9.812 576 HH12 ARG 78 HH12 ARG 78 -7.708 11.097 11.313 577 HH21 ARG 78 HH21 ARG 78 -4.897 10.055 13.100 578 HH22 ARG 78 HH22 ARG 78 -6.609 10.388 13.161 579 H ILE 79 H ILE 79 -4.787 13.913 4.918 580 HA ILE 79 HA ILE 79 -3.176 12.765 2.907 581 HB ILE 79 HB ILE 79 -5.487 14.689 2.577 582 HG12 ILE 79 HG12 ILE 79 -5.445 11.661 2.551 583 HG13 ILE 79 HG13 ILE 79 -6.057 12.658 3.868 584 HG21 ILE 79 HG21 ILE 79 -5.703 13.744 0.330 585 HG22 ILE 79 HG22 ILE 79 -4.130 14.509 0.553 586 HG23 ILE 79 HG23 ILE 79 -4.270 12.751 0.606 587 HD11 ILE 79 HD11 ILE 79 -7.865 11.792 2.506 588 HD12 ILE 79 HD12 ILE 79 -7.782 13.550 2.388 589 HD13 ILE 79 HD13 ILE 79 -7.167 12.546 1.074 590 H ARG 80 H ARG 80 -3.763 16.120 3.861 591 HA ARG 80 HA ARG 80 -2.249 17.278 1.748 592 HB2 ARG 80 HB2 ARG 80 -3.119 18.400 4.411 593 HB3 ARG 80 HB3 ARG 80 -2.362 19.347 3.137 594 HG2 ARG 80 HG2 ARG 80 -4.219 18.867 1.652 595 HG3 ARG 80 HG3 ARG 80 -4.974 17.875 2.902 596 HD2 ARG 80 HD2 ARG 80 -5.983 20.087 2.828 597 HD3 ARG 80 HD3 ARG 80 -5.137 19.836 4.355 598 HE ARG 80 HE ARG 80 -3.260 21.132 3.211 599 HH11 ARG 80 HH11 ARG 80 -6.654 21.640 2.546 600 HH12 ARG 80 HH12 ARG 80 -6.453 23.306 2.106 601 HH21 ARG 80 HH21 ARG 80 -2.987 23.328 2.659 602 HH22 ARG 80 HH22 ARG 80 -4.371 24.272 2.185 603 H ALA 81 H ALA 81 -1.414 15.901 4.778 604 HA ALA 81 HA ALA 81 0.868 17.430 5.423 605 HB1 ALA 81 HB1 ALA 81 -0.307 16.131 7.087 606 HB2 ALA 81 HB2 ALA 81 0.107 14.632 6.253 607 HB3 ALA 81 HB3 ALA 81 1.375 15.611 6.998 608 H ALA 82 H ALA 82 0.422 14.955 3.097 609 HA ALA 82 HA ALA 82 3.007 13.809 3.133 610 HB1 ALA 82 HB1 ALA 82 2.428 12.869 0.978 611 HB2 ALA 82 HB2 ALA 82 1.072 12.727 2.097 612 HB3 ALA 82 HB3 ALA 82 1.057 13.972 0.847 613 H LEU 83 H LEU 83 4.850 14.345 2.171 614 HA LEU 83 HA LEU 83 5.137 17.078 1.304 615 HB2 LEU 83 HB2 LEU 83 7.173 14.865 1.572 616 HB3 LEU 83 HB3 LEU 83 7.545 16.552 1.267 617 HG LEU 83 HG LEU 83 6.196 15.509 3.760 618 HD11 LEU 83 HD11 LEU 83 8.334 16.033 4.855 619 HD12 LEU 83 HD12 LEU 83 8.494 14.752 3.654 620 HD13 LEU 83 HD13 LEU 83 9.039 16.386 3.281 621 HD21 LEU 83 HD21 LEU 83 7.232 18.245 3.020 622 HD22 LEU 83 HD22 LEU 83 5.545 17.786 3.256 623 HD23 LEU 83 HD23 LEU 83 6.663 17.774 4.621 624 H ASN 84 H ASN 84 5.123 13.908 -0.142 625 HA ASN 84 HA ASN 84 5.191 15.181 -2.780 626 HB2 ASN 84 HB2 ASN 84 7.483 14.382 -2.345 627 HB3 ASN 84 HB3 ASN 84 6.860 12.761 -2.065 628 HD21 ASN 84 HD21 ASN 84 7.457 15.230 -4.436 629 HD22 ASN 84 HD22 ASN 84 7.310 14.218 -5.834 630 H ALA 85 H ALA 85 5.107 11.862 -1.451 631 HA ALA 85 HA ALA 85 2.647 11.453 -3.018 632 HB1 ALA 85 HB1 ALA 85 4.715 9.400 -2.247 633 HB2 ALA 85 HB2 ALA 85 3.261 9.106 -3.203 634 HB3 ALA 85 HB3 ALA 85 4.542 10.141 -3.838 635 H VAL 86 H VAL 86 0.873 10.803 -2.015 636 HA VAL 86 HA VAL 86 1.094 9.857 0.769 637 HB VAL 86 HB VAL 86 -0.005 12.048 0.672 638 HG11 VAL 86 HG11 VAL 86 -0.879 11.995 -1.583 639 HG12 VAL 86 HG12 VAL 86 -2.019 10.726 -1.136 640 HG13 VAL 86 HG13 VAL 86 -2.172 12.337 -0.433 641 HG21 VAL 86 HG21 VAL 86 -1.763 9.713 1.370 642 HG22 VAL 86 HG22 VAL 86 -0.769 10.701 2.440 643 HG23 VAL 86 HG23 VAL 86 -2.216 11.385 1.709 644 H ARG 87 H ARG 87 0.272 7.856 1.162 645 HA ARG 87 HA ARG 87 -1.100 6.535 -1.057 646 HB2 ARG 87 HB2 ARG 87 0.094 5.378 1.472 647 HB3 ARG 87 HB3 ARG 87 -0.748 4.440 0.247 648 HG2 ARG 87 HG2 ARG 87 1.532 4.112 -0.172 649 HG3 ARG 87 HG3 ARG 87 1.003 5.272 -1.387 650 HD2 ARG 87 HD2 ARG 87 1.904 7.100 -0.019 651 HD3 ARG 87 HD3 ARG 87 2.452 5.926 1.177 652 HE ARG 87 HE ARG 87 3.453 5.412 -1.471 653 HH11 ARG 87 HH11 ARG 87 3.990 7.197 1.494 654 HH12 ARG 87 HH12 ARG 87 5.691 7.379 1.231 655 HH21 ARG 87 HH21 ARG 87 5.706 5.652 -1.825 656 HH22 ARG 87 HH22 ARG 87 6.672 6.498 -0.648 657 H LEU 88 H LEU 88 -3.216 6.816 -1.027 658 HA LEU 88 HA LEU 88 -4.584 6.355 1.528 659 HB2 LEU 88 HB2 LEU 88 -6.467 7.741 0.451 660 HB3 LEU 88 HB3 LEU 88 -5.100 8.561 1.169 661 HG LEU 88 HG LEU 88 -4.203 8.526 -1.321 662 HD11 LEU 88 HD11 LEU 88 -5.982 8.791 -2.943 663 HD12 LEU 88 HD12 LEU 88 -6.083 7.202 -2.184 664 HD13 LEU 88 HD13 LEU 88 -7.195 8.483 -1.698 665 HD21 LEU 88 HD21 LEU 88 -6.320 10.417 -0.306 666 HD22 LEU 88 HD22 LEU 88 -4.588 10.518 0.014 667 HD23 LEU 88 HD23 LEU 88 -5.196 10.741 -1.627 668 H LEU 89 H LEU 89 -5.837 4.654 1.606 669 HA LEU 89 HA LEU 89 -6.416 3.181 -0.832 670 HB2 LEU 89 HB2 LEU 89 -5.657 2.025 1.222 671 HB3 LEU 89 HB3 LEU 89 -7.109 2.562 2.044 672 HG LEU 89 HG LEU 89 -8.424 1.282 0.292 673 HD11 LEU 89 HD11 LEU 89 -5.694 0.140 -0.258 674 HD12 LEU 89 HD12 LEU 89 -7.217 -0.526 -0.845 675 HD13 LEU 89 HD13 LEU 89 -6.688 1.069 -1.379 676 HD21 LEU 89 HD21 LEU 89 -6.594 -0.238 2.142 677 HD22 LEU 89 HD22 LEU 89 -8.152 0.475 2.559 678 HD23 LEU 89 HD23 LEU 89 -8.075 -0.863 1.415 679 H VAL 90 H VAL 90 -8.371 3.107 -1.818 680 HA VAL 90 HA VAL 90 -10.617 4.398 -0.436 681 HB VAL 90 HB VAL 90 -11.243 5.497 -2.602 682 HG11 VAL 90 HG11 VAL 90 -10.279 6.786 -0.799 683 HG12 VAL 90 HG12 VAL 90 -8.654 6.338 -1.315 684 HG13 VAL 90 HG13 VAL 90 -9.654 7.362 -2.345 685 HG21 VAL 90 HG21 VAL 90 -9.890 4.164 -4.121 686 HG22 VAL 90 HG22 VAL 90 -9.472 5.873 -4.261 687 HG23 VAL 90 HG23 VAL 90 -8.419 4.776 -3.367 688 H VAL 91 H VAL 91 -12.647 3.766 -1.019 689 HA VAL 91 HA VAL 91 -13.086 1.973 -3.251 690 HB VAL 91 HB VAL 91 -12.575 0.433 -1.367 691 HG11 VAL 91 HG11 VAL 91 -14.184 0.222 0.490 692 HG12 VAL 91 HG12 VAL 91 -13.313 1.757 0.506 693 HG13 VAL 91 HG13 VAL 91 -14.981 1.693 -0.066 694 HG21 VAL 91 HG21 VAL 91 -14.044 -0.322 -3.129 695 HG22 VAL 91 HG22 VAL 91 -14.589 -0.968 -1.581 696 HG23 VAL 91 HG23 VAL 91 -15.436 0.396 -2.314 697 H ASP 92 H ASP 92 -15.260 2.090 -3.992 698 HA ASP 92 HA ASP 92 -16.718 4.417 -3.157 699 HB2 ASP 92 HB2 ASP 92 -18.368 3.748 -4.850 700 HB3 ASP 92 HB3 ASP 92 -16.741 3.701 -5.508 701 HA PRO 93 HA PRO 93 -19.203 2.910 0.039 702 HB2 PRO 93 HB2 PRO 93 -21.593 4.183 -1.114 703 HB3 PRO 93 HB3 PRO 93 -20.742 4.545 0.390 704 HG2 PRO 93 HG2 PRO 93 -20.637 6.186 -1.733 705 HG3 PRO 93 HG3 PRO 93 -19.260 5.974 -0.635 706 HD2 PRO 93 HD2 PRO 93 -19.719 4.813 -3.352 707 HD3 PRO 93 HD3 PRO 93 -18.224 5.439 -2.630 708 H GLU 94 H GLU 94 -20.409 2.381 -3.200 709 HA GLU 94 HA GLU 94 -22.576 0.683 -2.390 710 HB2 GLU 94 HB2 GLU 94 -21.301 0.947 -5.118 711 HB3 GLU 94 HB3 GLU 94 -22.867 0.230 -4.759 712 HG2 GLU 94 HG2 GLU 94 -23.498 2.504 -3.799 713 HG3 GLU 94 HG3 GLU 94 -22.054 3.109 -4.609 714 H THR 95 H THR 95 -19.386 0.149 -3.852 715 HA THR 95 HA THR 95 -19.559 -2.688 -3.712 716 HB THR 95 HB THR 95 -17.038 -1.019 -3.831 717 HG1 THR 95 HG1 THR 95 -18.097 -0.313 -5.587 718 HG21 THR 95 HG21 THR 95 -16.703 -3.426 -3.425 719 HG22 THR 95 HG22 THR 95 -17.668 -3.793 -4.855 720 HG23 THR 95 HG23 THR 95 -16.128 -2.952 -5.024 721 H ASP 96 H ASP 96 -18.476 -0.176 -1.519 722 HA ASP 96 HA ASP 96 -16.971 -1.712 0.273 723 HB2 ASP 96 HB2 ASP 96 -16.919 0.683 0.448 724 HB3 ASP 96 HB3 ASP 96 -18.654 0.757 0.728 725 H GLU 97 H GLU 97 -20.449 -1.147 0.098 726 HA GLU 97 HA GLU 97 -21.163 -2.365 2.521 727 HB2 GLU 97 HB2 GLU 97 -22.712 -2.152 -0.061 728 HB3 GLU 97 HB3 GLU 97 -23.402 -2.646 1.480 729 HG2 GLU 97 HG2 GLU 97 -22.710 -0.445 2.416 730 HG3 GLU 97 HG3 GLU 97 -22.222 0.031 0.789 731 H GLN 98 H GLN 98 -20.599 -3.715 -0.688 732 HA GLN 98 HA GLN 98 -21.310 -6.390 -0.003 733 HB2 GLN 98 HB2 GLN 98 -20.904 -5.225 -2.353 734 HB3 GLN 98 HB3 GLN 98 -19.254 -5.763 -2.096 735 HG2 GLN 98 HG2 GLN 98 -21.649 -7.582 -2.093 736 HG3 GLN 98 HG3 GLN 98 -20.633 -7.283 -3.493 737 HE21 GLN 98 HE21 GLN 98 -20.966 -8.918 -0.479 738 HE22 GLN 98 HE22 GLN 98 -19.556 -9.906 -0.623 739 H LEU 99 H LEU 99 -18.298 -4.538 -0.128 740 HA LEU 99 HA LEU 99 -16.482 -6.581 0.430 741 HB2 LEU 99 HB2 LEU 99 -16.254 -3.693 1.264 742 HB3 LEU 99 HB3 LEU 99 -14.938 -4.841 1.124 743 HG LEU 99 HG LEU 99 -16.379 -3.344 -0.989 744 HD11 LEU 99 HD11 LEU 99 -13.561 -4.314 -0.613 745 HD12 LEU 99 HD12 LEU 99 -14.119 -3.290 -1.937 746 HD13 LEU 99 HD13 LEU 99 -14.166 -2.690 -0.279 747 HD21 LEU 99 HD21 LEU 99 -15.215 -6.087 -1.462 748 HD22 LEU 99 HD22 LEU 99 -16.916 -5.644 -1.601 749 HD23 LEU 99 HD23 LEU 99 -15.730 -4.958 -2.714 750 H GLN 100 H GLN 100 -18.420 -4.616 2.609 751 HA GLN 100 HA GLN 100 -17.281 -5.336 5.052 752 HB2 GLN 100 HB2 GLN 100 -20.160 -4.725 4.365 753 HB3 GLN 100 HB3 GLN 100 -19.551 -4.879 6.005 754 HG2 GLN 100 HG2 GLN 100 -18.056 -2.988 5.639 755 HG3 GLN 100 HG3 GLN 100 -18.648 -2.843 3.983 756 HE21 GLN 100 HE21 GLN 100 -19.405 -0.746 4.318 757 HE22 GLN 100 HE22 GLN 100 -20.825 -0.429 5.271 758 H LYS 101 H LYS 101 -19.510 -7.071 2.976 759 HA LYS 101 HA LYS 101 -20.258 -9.059 4.869 760 HB2 LYS 101 HB2 LYS 101 -20.273 -9.265 1.852 761 HB3 LYS 101 HB3 LYS 101 -21.185 -10.262 2.974 762 HG2 LYS 101 HG2 LYS 101 -21.570 -7.307 2.534 763 HG3 LYS 101 HG3 LYS 101 -22.595 -8.593 1.900 764 HD2 LYS 101 HD2 LYS 101 -23.121 -9.278 4.208 765 HD3 LYS 101 HD3 LYS 101 -22.137 -7.941 4.810 766 HE2 LYS 101 HE2 LYS 101 -24.585 -7.679 3.063 767 HE3 LYS 101 HE3 LYS 101 -24.538 -7.404 4.804 768 HZ1 LYS 101 HZ1 LYS 101 -24.410 -5.334 3.534 769 HZ2 LYS 101 HZ2 LYS 101 -23.012 -5.577 4.459 770 HZ3 LYS 101 HZ3 LYS 101 -22.986 -5.864 2.788 771 H LEU 102 H LEU 102 -17.655 -8.760 2.520 772 HA LEU 102 HA LEU 102 -16.696 -11.447 2.985 773 HB2 LEU 102 HB2 LEU 102 -15.175 -9.213 1.651 774 HB3 LEU 102 HB3 LEU 102 -14.917 -10.939 1.480 775 HG LEU 102 HG LEU 102 -17.472 -10.709 0.578 776 HD11 LEU 102 HD11 LEU 102 -17.376 -8.277 0.804 777 HD12 LEU 102 HD12 LEU 102 -16.032 -8.253 -0.343 778 HD13 LEU 102 HD13 LEU 102 -17.625 -8.806 -0.862 779 HD21 LEU 102 HD21 LEU 102 -14.985 -10.327 -1.061 780 HD22 LEU 102 HD22 LEU 102 -15.629 -11.882 -0.526 781 HD23 LEU 102 HD23 LEU 102 -16.553 -10.880 -1.650 782 H GLY 103 H GLY 103 -15.098 -8.282 3.349 783 HA2 GLY 103 HA2 GLY 103 -13.577 -7.525 4.893 784 HA3 GLY 103 HA3 GLY 103 -14.561 -8.392 6.058 785 H VAL 104 H VAL 104 -12.730 -9.867 3.434 786 HA VAL 104 HA VAL 104 -11.434 -11.628 5.306 787 HB VAL 104 HB VAL 104 -10.868 -11.421 2.344 788 HG11 VAL 104 HG11 VAL 104 -9.267 -12.753 3.607 789 HG12 VAL 104 HG12 VAL 104 -10.582 -13.703 4.299 790 HG13 VAL 104 HG13 VAL 104 -10.252 -13.784 2.569 791 HG21 VAL 104 HG21 VAL 104 -12.572 -13.146 2.008 792 HG22 VAL 104 HG22 VAL 104 -12.993 -13.068 3.719 793 HG23 VAL 104 HG23 VAL 104 -13.276 -11.674 2.676 794 H GLN 105 H GLN 105 -10.584 -9.470 6.256 795 HA GLN 105 HA GLN 105 -8.862 -8.088 6.771 796 HB2 GLN 105 HB2 GLN 105 -7.209 -10.302 5.542 797 HB3 GLN 105 HB3 GLN 105 -6.614 -9.053 6.629 798 HG2 GLN 105 HG2 GLN 105 -8.553 -11.261 7.270 799 HG3 GLN 105 HG3 GLN 105 -6.914 -11.054 7.886 800 HE21 GLN 105 HE21 GLN 105 -9.491 -11.284 9.274 801 HE22 GLN 105 HE22 GLN 105 -9.611 -9.874 10.275 802 H VAL 106 H VAL 106 -10.088 -7.719 4.163 803 HA VAL 106 HA VAL 106 -7.963 -7.136 2.312 804 HB VAL 106 HB VAL 106 -10.307 -8.009 1.747 805 HG11 VAL 106 HG11 VAL 106 -11.626 -6.393 2.961 806 HG12 VAL 106 HG12 VAL 106 -10.955 -5.078 1.996 807 HG13 VAL 106 HG13 VAL 106 -11.986 -6.293 1.238 808 HG21 VAL 106 HG21 VAL 106 -10.308 -6.831 -0.428 809 HG22 VAL 106 HG22 VAL 106 -9.089 -5.727 0.210 810 HG23 VAL 106 HG23 VAL 106 -8.722 -7.446 0.041 811 H ARG 107 H ARG 107 -9.031 -5.551 4.962 812 HA ARG 107 HA ARG 107 -9.332 -2.895 3.957 813 HB2 ARG 107 HB2 ARG 107 -8.914 -3.979 6.743 814 HB3 ARG 107 HB3 ARG 107 -9.080 -2.260 6.405 815 HG2 ARG 107 HG2 ARG 107 -11.146 -4.319 5.652 816 HG3 ARG 107 HG3 ARG 107 -11.179 -3.382 7.149 817 HD2 ARG 107 HD2 ARG 107 -11.436 -1.340 5.972 818 HD3 ARG 107 HD3 ARG 107 -11.050 -2.101 4.429 819 HE ARG 107 HE ARG 107 -13.292 -3.413 5.320 820 HH11 ARG 107 HH11 ARG 107 -12.539 -0.018 4.861 821 HH12 ARG 107 HH12 ARG 107 -14.105 0.373 4.234 822 HH21 ARG 107 HH21 ARG 107 -15.369 -2.870 4.503 823 HH22 ARG 107 HH22 ARG 107 -15.706 -1.236 4.004 824 H GLU 108 H GLU 108 -6.605 -4.805 5.067 825 HA GLU 108 HA GLU 108 -4.805 -2.931 3.835 826 HB2 GLU 108 HB2 GLU 108 -5.355 -2.241 6.362 827 HB3 GLU 108 HB3 GLU 108 -4.098 -3.424 6.690 828 HG2 GLU 108 HG2 GLU 108 -3.541 -1.353 4.644 829 HG3 GLU 108 HG3 GLU 108 -3.578 -0.854 6.331 830 H GLU 109 H GLU 109 -5.202 -5.802 5.869 831 HA GLU 109 HA GLU 109 -2.624 -6.855 5.604 832 HB2 GLU 109 HB2 GLU 109 -5.210 -8.395 5.869 833 HB3 GLU 109 HB3 GLU 109 -3.603 -9.001 6.235 834 HG2 GLU 109 HG2 GLU 109 -4.979 -6.738 7.662 835 HG3 GLU 109 HG3 GLU 109 -4.869 -8.398 8.243 836 H LEU 110 H LEU 110 -5.533 -7.529 3.670 837 HA LEU 110 HA LEU 110 -4.188 -9.328 1.907 838 HB2 LEU 110 HB2 LEU 110 -6.666 -9.265 2.472 839 HB3 LEU 110 HB3 LEU 110 -6.790 -7.884 1.403 840 HG LEU 110 HG LEU 110 -5.699 -10.491 0.383 841 HD11 LEU 110 HD11 LEU 110 -8.604 -9.722 0.629 842 HD12 LEU 110 HD12 LEU 110 -7.984 -11.090 -0.295 843 HD13 LEU 110 HD13 LEU 110 -7.798 -11.054 1.459 844 HD21 LEU 110 HD21 LEU 110 -6.620 -9.676 -1.731 845 HD22 LEU 110 HD22 LEU 110 -7.226 -8.233 -0.919 846 HD23 LEU 110 HD23 LEU 110 -5.488 -8.512 -1.041 847 H LEU 111 H LEU 111 -4.646 -5.910 2.028 848 HA LEU 111 HA LEU 111 -4.413 -5.227 -0.680 849 HB2 LEU 111 HB2 LEU 111 -5.152 -3.656 1.033 850 HB3 LEU 111 HB3 LEU 111 -3.569 -3.695 1.781 851 HG LEU 111 HG LEU 111 -2.621 -2.690 -0.303 852 HD11 LEU 111 HD11 LEU 111 -4.349 -3.393 -1.866 853 HD12 LEU 111 HD12 LEU 111 -5.529 -2.377 -1.039 854 HD13 LEU 111 HD13 LEU 111 -4.166 -1.637 -1.884 855 HD21 LEU 111 HD21 LEU 111 -3.453 -0.439 0.160 856 HD22 LEU 111 HD22 LEU 111 -4.799 -1.121 1.076 857 HD23 LEU 111 HD23 LEU 111 -3.144 -1.328 1.654 858 H ARG 112 H ARG 112 -2.061 -6.249 1.631 859 HA ARG 112 HA ARG 112 0.215 -5.256 0.186 860 HB2 ARG 112 HB2 ARG 112 0.151 -7.310 2.376 861 HB3 ARG 112 HB3 ARG 112 1.537 -6.369 1.845 862 HG2 ARG 112 HG2 ARG 112 0.381 -4.316 2.587 863 HG3 ARG 112 HG3 ARG 112 -0.926 -5.322 3.219 864 HD2 ARG 112 HD2 ARG 112 0.767 -6.507 4.604 865 HD3 ARG 112 HD3 ARG 112 1.953 -5.320 4.065 866 HE ARG 112 HE ARG 112 -0.234 -3.923 5.110 867 HH11 ARG 112 HH11 ARG 112 2.301 -6.098 6.215 868 HH12 ARG 112 HH12 ARG 112 2.318 -5.448 7.832 869 HH21 ARG 112 HH21 ARG 112 -0.216 -3.084 7.215 870 HH22 ARG 112 HH22 ARG 112 0.881 -3.738 8.403 871 H ALA 113 H ALA 113 -1.238 -6.620 -1.572 872 HA ALA 113 HA ALA 113 0.099 -9.214 -1.916 873 HB1 ALA 113 HB1 ALA 113 -2.327 -9.312 -1.883 874 HB2 ALA 113 HB2 ALA 113 -2.408 -8.126 -3.186 875 HB3 ALA 113 HB3 ALA 113 -1.718 -9.722 -3.488 876 H GLN 114 H GLN 114 2.034 -8.020 -2.607 877 HA GLN 114 HA GLN 114 1.905 -7.305 -5.439 878 HB2 GLN 114 HB2 GLN 114 3.281 -5.286 -5.030 879 HB3 GLN 114 HB3 GLN 114 1.685 -5.178 -4.297 880 HG2 GLN 114 HG2 GLN 114 2.624 -5.741 -2.132 881 HG3 GLN 114 HG3 GLN 114 4.223 -5.898 -2.849 882 HE21 GLN 114 HE21 GLN 114 5.052 -4.324 -1.486 883 HE22 GLN 114 HE22 GLN 114 4.719 -2.640 -1.725 884 H GLU 115 H GLU 115 4.306 -6.683 -6.076 885 HA GLU 115 HA GLU 115 6.336 -8.197 -4.718 886 HB2 GLU 115 HB2 GLU 115 6.897 -9.562 -6.748 887 HB3 GLU 115 HB3 GLU 115 5.388 -10.019 -5.972 888 HG2 GLU 115 HG2 GLU 115 4.104 -8.944 -7.661 889 HG3 GLU 115 HG3 GLU 115 5.541 -8.206 -8.362 890 H ALA 116 H ALA 116 8.412 -7.569 -5.332 891 HA ALA 116 HA ALA 116 8.573 -5.550 -7.477 892 HB1 ALA 116 HB1 ALA 116 8.770 -4.504 -5.261 893 HB2 ALA 116 HB2 ALA 116 10.143 -5.550 -4.900 894 HB3 ALA 116 HB3 ALA 116 10.257 -4.361 -6.197 895 HA PRO 117 HA PRO 117 11.451 -9.014 -8.422 896 HB2 PRO 117 HB2 PRO 117 10.578 -8.862 -11.158 897 HB3 PRO 117 HB3 PRO 117 10.287 -10.150 -9.989 898 HG2 PRO 117 HG2 PRO 117 8.336 -8.492 -11.002 899 HG3 PRO 117 HG3 PRO 117 8.217 -9.367 -9.467 900 HD2 PRO 117 HD2 PRO 117 8.904 -6.504 -9.973 901 HD3 PRO 117 HD3 PRO 117 7.938 -7.220 -8.665 902 H GLY 118 H GLY 118 13.406 -8.036 -8.362 903 HA2 GLY 118 HA2 GLY 118 14.416 -6.907 -10.820 904 HA3 GLY 118 HA3 GLY 118 14.303 -5.738 -9.508 905 H GLN 119 H GLN 119 15.024 -7.110 -7.334 906 HA GLN 119 HA GLN 119 17.338 -8.736 -7.746 907 HB2 GLN 119 HB2 GLN 119 18.310 -6.526 -8.205 908 HB3 GLN 119 HB3 GLN 119 17.721 -5.938 -6.657 909 HG2 GLN 119 HG2 GLN 119 20.112 -6.469 -6.613 910 HG3 GLN 119 HG3 GLN 119 19.186 -7.449 -5.478 911 HE21 GLN 119 HE21 GLN 119 19.060 -9.643 -5.776 912 HE22 GLN 119 HE22 GLN 119 20.003 -10.497 -6.946 913 H ALA 120 H ALA 120 16.536 -10.211 -6.355 914 HA ALA 120 HA ALA 120 15.629 -9.402 -3.716 915 HB1 ALA 120 HB1 ALA 120 15.923 -12.153 -4.923 916 HB2 ALA 120 HB2 ALA 120 15.157 -11.777 -3.379 917 HB3 ALA 120 HB3 ALA 120 14.445 -11.191 -4.883 918 H1 GLN 1 HT1 GLN 1 -21.484 22.983 -1.719 919 H2 GLN 1 HT2 GLN 1 -20.205 24.009 -1.290 920 H3 GLN 1 HT3 GLN 1 -21.074 23.183 -0.092 921 HA GLN 1 HA GLN 1 -20.289 21.083 -0.865 922 HB2 GLN 1 HB2 GLN 1 -18.524 20.988 -2.593 923 HB3 GLN 1 HB3 GLN 1 -20.057 21.580 -3.225 924 HG2 GLN 1 HG2 GLN 1 -19.190 23.886 -3.054 925 HG3 GLN 1 HG3 GLN 1 -17.638 23.228 -2.535 926 HE21 GLN 1 HE21 GLN 1 -16.592 24.117 -4.305 927 HE22 GLN 1 HE22 GLN 1 -16.774 23.471 -5.912 928 H ASP 2 H ASP 2 -17.840 20.384 -0.646 929 HA ASP 2 HA ASP 2 -16.952 21.788 1.741 930 HB2 ASP 2 HB2 ASP 2 -17.172 19.174 1.255 931 HB3 ASP 2 HB3 ASP 2 -15.517 19.397 0.702 932 H THR 3 H THR 3 -14.180 20.749 1.373 933 HA THR 3 HA THR 3 -13.211 23.141 0.019 934 HB THR 3 HB THR 3 -12.458 22.591 2.334 935 HG1 THR 3 HG1 THR 3 -10.883 23.800 1.611 936 HG21 THR 3 HG21 THR 3 -11.047 20.289 0.985 937 HG22 THR 3 HG22 THR 3 -10.791 20.809 2.650 938 HG23 THR 3 HG23 THR 3 -12.358 20.166 2.157 939 H ARG 4 H ARG 4 -10.738 22.510 -0.755 940 HA ARG 4 HA ARG 4 -11.001 20.340 -2.727 941 HB2 ARG 4 HB2 ARG 4 -11.309 22.379 -3.954 942 HB3 ARG 4 HB3 ARG 4 -9.964 23.150 -3.129 943 HG2 ARG 4 HG2 ARG 4 -8.426 21.548 -4.238 944 HG3 ARG 4 HG3 ARG 4 -9.805 20.910 -5.141 945 HD2 ARG 4 HD2 ARG 4 -10.170 23.008 -6.211 946 HD3 ARG 4 HD3 ARG 4 -9.012 23.812 -5.156 947 HE ARG 4 HE ARG 4 -8.144 21.735 -7.057 948 HH11 ARG 4 HH11 ARG 4 -7.955 24.974 -5.743 949 HH12 ARG 4 HH12 ARG 4 -6.592 25.438 -6.716 950 HH21 ARG 4 HH21 ARG 4 -6.333 22.334 -8.356 951 HH22 ARG 4 HH22 ARG 4 -5.679 23.943 -8.200 952 H LEU 5 H LEU 5 -9.224 19.063 -2.960 953 HA LEU 5 HA LEU 5 -6.941 19.659 -1.225 954 HB2 LEU 5 HB2 LEU 5 -8.007 17.123 -2.445 955 HB3 LEU 5 HB3 LEU 5 -6.393 17.207 -1.774 956 HG LEU 5 HG LEU 5 -8.957 17.715 -0.256 957 HD11 LEU 5 HD11 LEU 5 -8.672 15.366 -0.806 958 HD12 LEU 5 HD12 LEU 5 -7.030 15.399 -0.166 959 HD13 LEU 5 HD13 LEU 5 -8.401 15.638 0.915 960 HD21 LEU 5 HD21 LEU 5 -7.142 19.062 0.603 961 HD22 LEU 5 HD22 LEU 5 -7.492 17.740 1.717 962 HD23 LEU 5 HD23 LEU 5 -6.087 17.651 0.655 Start of MODEL 12 1 H1 GLY 4 HT1 GLY 4 -28.846 -16.413 -2.372 2 H2 GLY 4 HT2 GLY 4 -29.970 -15.332 -1.703 3 H3 GLY 4 HT3 GLY 4 -28.566 -15.735 -0.844 4 HA2 GLY 4 HA3 GLY 4 -28.624 -14.286 -3.428 5 HA3 GLY 4 HA2 GLY 4 -28.425 -13.525 -1.855 6 H ILE 5 H ILE 5 -26.923 -15.403 -4.357 7 HA ILE 5 HA ILE 5 -24.514 -15.861 -2.843 8 HB ILE 5 HB ILE 5 -25.210 -17.475 -4.527 9 HG12 ILE 5 HG12 ILE 5 -22.734 -17.002 -3.958 10 HG13 ILE 5 HG13 ILE 5 -23.097 -18.020 -5.344 11 HG21 ILE 5 HG21 ILE 5 -26.260 -16.038 -6.140 12 HG22 ILE 5 HG22 ILE 5 -24.709 -15.305 -6.548 13 HG23 ILE 5 HG23 ILE 5 -25.011 -17.000 -6.930 14 HD11 ILE 5 HD11 ILE 5 -22.688 -16.138 -6.838 15 HD12 ILE 5 HD12 ILE 5 -22.350 -15.104 -5.448 16 HD13 ILE 5 HD13 ILE 5 -21.290 -16.467 -5.814 17 H ASP 6 H ASP 6 -22.998 -14.463 -2.526 18 HA ASP 6 HA ASP 6 -22.895 -12.047 -4.186 19 HB2 ASP 6 HB2 ASP 6 -21.559 -11.067 -2.326 20 HB3 ASP 6 HB3 ASP 6 -23.162 -11.584 -1.814 21 HA PRO 7 HA PRO 7 -19.104 -13.513 -6.029 22 HB2 PRO 7 HB2 PRO 7 -18.742 -10.677 -6.747 23 HB3 PRO 7 HB3 PRO 7 -18.872 -12.092 -7.796 24 HG2 PRO 7 HG2 PRO 7 -20.853 -10.320 -7.636 25 HG3 PRO 7 HG3 PRO 7 -21.177 -12.057 -7.781 26 HD2 PRO 7 HD2 PRO 7 -21.247 -10.321 -5.331 27 HD3 PRO 7 HD3 PRO 7 -22.409 -11.556 -5.864 28 H PHE 8 H PHE 8 -16.823 -12.927 -5.991 29 HA PHE 8 HA PHE 8 -16.115 -12.243 -3.259 30 HB2 PHE 8 HB2 PHE 8 -15.171 -14.223 -4.590 31 HB3 PHE 8 HB3 PHE 8 -14.197 -13.036 -5.448 32 HD1 PHE 8 HD2 PHE 8 -14.874 -14.522 -2.141 33 HD2 PHE 8 HD1 PHE 8 -12.241 -12.125 -4.470 34 HE1 PHE 8 HE2 PHE 8 -13.191 -14.640 -0.352 35 HE2 PHE 8 HE1 PHE 8 -10.552 -12.236 -2.683 36 HZ PHE 8 HZ PHE 8 -11.029 -13.497 -0.621 37 H THR 9 H THR 9 -16.904 -10.007 -3.772 38 HA THR 9 HA THR 9 -14.721 -8.415 -4.930 39 HB THR 9 HB THR 9 -16.979 -8.168 -5.993 40 HG1 THR 9 HG1 THR 9 -16.619 -6.046 -6.329 41 HG21 THR 9 HG21 THR 9 -18.342 -8.300 -3.943 42 HG22 THR 9 HG22 THR 9 -17.681 -6.744 -3.429 43 HG23 THR 9 HG23 THR 9 -18.681 -6.841 -4.880 44 H MET 10 H MET 10 -13.624 -7.120 -3.689 45 HA MET 10 HA MET 10 -14.495 -5.836 -1.353 46 HB2 MET 10 HB2 MET 10 -13.371 -7.142 0.375 47 HB3 MET 10 HB3 MET 10 -14.569 -8.136 -0.441 48 HG2 MET 10 HG2 MET 10 -12.764 -9.129 -1.802 49 HG3 MET 10 HG3 MET 10 -11.592 -8.191 -0.876 50 HE1 MET 10 HE1 MET 10 -14.877 -10.063 0.198 51 HE2 MET 10 HE2 MET 10 -14.081 -11.209 -0.881 52 HE3 MET 10 HE3 MET 10 -14.218 -11.568 0.841 53 H LEU 11 H LEU 11 -12.834 -5.546 -3.780 54 HA LEU 11 HA LEU 11 -10.112 -5.416 -2.787 55 HB2 LEU 11 HB2 LEU 11 -11.298 -4.925 -5.513 56 HB3 LEU 11 HB3 LEU 11 -9.605 -4.671 -5.147 57 HG LEU 11 HG LEU 11 -9.726 -6.776 -6.202 58 HD11 LEU 11 HD11 LEU 11 -8.277 -6.752 -4.251 59 HD12 LEU 11 HD12 LEU 11 -9.620 -7.274 -3.233 60 HD13 LEU 11 HD13 LEU 11 -8.995 -8.347 -4.486 61 HD21 LEU 11 HD21 LEU 11 -11.224 -8.572 -5.518 62 HD22 LEU 11 HD22 LEU 11 -11.944 -7.519 -4.300 63 HD23 LEU 11 HD23 LEU 11 -12.127 -7.142 -6.014 64 HA PRO 12 HA PRO 12 -10.669 -0.998 -2.155 65 HB2 PRO 12 HB2 PRO 12 -8.904 -0.779 -0.140 66 HB3 PRO 12 HB3 PRO 12 -10.529 -1.417 0.120 67 HG2 PRO 12 HG2 PRO 12 -7.934 -2.838 0.033 68 HG3 PRO 12 HG3 PRO 12 -9.423 -3.266 0.891 69 HD2 PRO 12 HD2 PRO 12 -8.489 -4.312 -1.584 70 HD3 PRO 12 HD3 PRO 12 -10.045 -4.635 -0.802 71 H ARG 13 H ARG 13 -9.527 0.542 -3.234 72 HA ARG 13 HA ARG 13 -7.123 -0.417 -4.557 73 HB2 ARG 13 HB2 ARG 13 -8.964 0.648 -5.840 74 HB3 ARG 13 HB3 ARG 13 -8.649 2.152 -4.986 75 HG2 ARG 13 HG2 ARG 13 -6.471 2.317 -5.954 76 HG3 ARG 13 HG3 ARG 13 -6.629 0.719 -6.687 77 HD2 ARG 13 HD2 ARG 13 -8.545 1.554 -8.004 78 HD3 ARG 13 HD3 ARG 13 -8.282 3.157 -7.320 79 HE ARG 13 HE ARG 13 -5.949 2.866 -8.382 80 HH11 ARG 13 HH11 ARG 13 -8.929 1.591 -9.686 81 HH12 ARG 13 HH12 ARG 13 -8.438 1.754 -11.344 82 HH21 ARG 13 HH21 ARG 13 -5.280 3.076 -10.575 83 HH22 ARG 13 HH22 ARG 13 -6.369 2.603 -11.847 84 H LEU 14 H LEU 14 -5.157 0.116 -3.983 85 HA LEU 14 HA LEU 14 -4.726 2.223 -2.017 86 HB2 LEU 14 HB2 LEU 14 -3.651 -0.142 -2.012 87 HB3 LEU 14 HB3 LEU 14 -2.602 0.490 -3.264 88 HG LEU 14 HG LEU 14 -2.827 1.720 -0.511 89 HD11 LEU 14 HD11 LEU 14 -0.729 0.594 0.006 90 HD12 LEU 14 HD12 LEU 14 -1.999 -0.577 -0.349 91 HD13 LEU 14 HD13 LEU 14 -0.768 -0.219 -1.559 92 HD21 LEU 14 HD21 LEU 14 -0.763 2.035 -2.692 93 HD22 LEU 14 HD22 LEU 14 -1.988 3.225 -2.253 94 HD23 LEU 14 HD23 LEU 14 -0.718 2.797 -1.105 95 H CYS 15 H CYS 15 -4.706 4.185 -2.888 96 HA CYS 15 HA CYS 15 -3.450 4.562 -5.514 97 HB2 CYS 15 HB2 CYS 15 -5.352 6.356 -3.993 98 HB3 CYS 15 HB3 CYS 15 -4.740 6.649 -5.613 99 HG CYS 15 HG CYS 15 -7.249 4.699 -4.603 100 H CYS 16 H CYS 16 -1.474 5.437 -5.556 101 HA CYS 16 HA CYS 16 -0.591 7.041 -3.266 102 HB2 CYS 16 HB2 CYS 16 1.032 6.082 -5.629 103 HB3 CYS 16 HB3 CYS 16 1.652 6.794 -4.146 104 HG CYS 16 HG CYS 16 -0.020 3.807 -4.200 105 H LEU 17 H LEU 17 -1.141 9.098 -3.428 106 HA LEU 17 HA LEU 17 -1.271 10.335 -6.077 107 HB2 LEU 17 HB2 LEU 17 -2.374 11.217 -3.410 108 HB3 LEU 17 HB3 LEU 17 -2.423 12.211 -4.852 109 HG LEU 17 HG LEU 17 -3.703 10.251 -5.925 110 HD11 LEU 17 HD11 LEU 17 -4.035 9.556 -3.018 111 HD12 LEU 17 HD12 LEU 17 -5.011 8.910 -4.337 112 HD13 LEU 17 HD13 LEU 17 -3.283 8.560 -4.266 113 HD21 LEU 17 HD21 LEU 17 -4.978 11.862 -3.726 114 HD22 LEU 17 HD22 LEU 17 -4.696 12.409 -5.379 115 HD23 LEU 17 HD23 LEU 17 -5.818 11.085 -5.066 116 H GLU 18 H GLU 18 -0.027 11.991 -6.680 117 HA GLU 18 HA GLU 18 2.264 12.640 -5.010 118 HB2 GLU 18 HB2 GLU 18 1.597 13.460 -7.842 119 HB3 GLU 18 HB3 GLU 18 3.113 13.775 -7.014 120 HG2 GLU 18 HG2 GLU 18 3.641 11.445 -6.957 121 HG3 GLU 18 HG3 GLU 18 2.048 11.022 -7.590 122 H LYS 19 H LYS 19 2.531 14.534 -3.981 123 HA LYS 19 HA LYS 19 0.550 16.571 -3.959 124 HB2 LYS 19 HB2 LYS 19 2.008 16.294 -2.048 125 HB3 LYS 19 HB3 LYS 19 3.436 16.553 -3.038 126 HG2 LYS 19 HG2 LYS 19 2.990 18.515 -1.718 127 HG3 LYS 19 HG3 LYS 19 2.727 18.877 -3.423 128 HD2 LYS 19 HD2 LYS 19 0.993 19.876 -2.041 129 HD3 LYS 19 HD3 LYS 19 0.320 18.646 -3.108 130 HE2 LYS 19 HE2 LYS 19 -0.614 18.548 -0.841 131 HE3 LYS 19 HE3 LYS 19 0.225 17.067 -1.289 132 HZ1 LYS 19 HZ1 LYS 19 0.694 17.835 0.999 133 HZ2 LYS 19 HZ2 LYS 19 2.083 17.690 0.052 134 HZ3 LYS 19 HZ3 LYS 19 1.431 19.224 0.370 135 H GLY 20 H GLY 20 0.099 17.553 -5.824 136 HA2 GLY 20 HA2 GLY 20 2.185 18.088 -7.771 137 HA3 GLY 20 HA3 GLY 20 0.461 18.353 -7.984 138 HA PRO 21 HA PRO 21 1.843 22.608 -7.854 139 HB2 PRO 21 HB2 PRO 21 -0.691 23.663 -8.138 140 HB3 PRO 21 HB3 PRO 21 0.351 23.173 -9.477 141 HG2 PRO 21 HG2 PRO 21 -1.913 21.707 -8.201 142 HG3 PRO 21 HG3 PRO 21 -1.454 21.801 -9.912 143 HD2 PRO 21 HD2 PRO 21 -0.899 19.641 -8.400 144 HD3 PRO 21 HD3 PRO 21 0.187 20.194 -9.691 145 H ASN 22 H ASN 22 -1.368 22.112 -6.363 146 HA ASN 22 HA ASN 22 -0.297 23.173 -3.841 147 HB2 ASN 22 HB2 ASN 22 -2.767 24.153 -5.278 148 HB3 ASN 22 HB3 ASN 22 -2.432 24.500 -3.589 149 HD21 ASN 22 HD21 ASN 22 0.441 24.794 -4.045 150 HD22 ASN 22 HD22 ASN 22 0.636 26.324 -4.825 151 H GLY 23 H GLY 23 -0.980 20.438 -4.604 152 HA2 GLY 23 HA2 GLY 23 -2.197 19.328 -2.532 153 HA3 GLY 23 HA3 GLY 23 -3.589 19.986 -3.378 154 H TYR 24 H TYR 24 -4.592 18.156 -4.023 155 HA TYR 24 HA TYR 24 -3.009 16.268 -5.641 156 HB2 TYR 24 HB2 TYR 24 -5.201 15.556 -3.685 157 HB3 TYR 24 HB3 TYR 24 -4.307 14.419 -4.696 158 HD1 TYR 24 HD2 TYR 24 -1.788 14.256 -4.356 159 HD2 TYR 24 HD1 TYR 24 -4.365 16.199 -1.590 160 HE1 TYR 24 HE2 TYR 24 -0.050 14.090 -2.629 161 HE2 TYR 24 HE1 TYR 24 -2.635 16.042 0.142 162 HH TYR 24 HH TYR 24 -0.654 14.614 0.638 163 H GLY 25 H GLY 25 -5.971 18.060 -5.281 164 HA2 GLY 25 HA2 GLY 25 -6.961 18.916 -7.258 165 HA3 GLY 25 HA3 GLY 25 -6.360 17.526 -8.139 166 H PHE 26 H PHE 26 -8.017 16.895 -5.145 167 HA PHE 26 HA PHE 26 -10.567 16.696 -6.579 168 HB2 PHE 26 HB2 PHE 26 -11.096 14.559 -5.513 169 HB3 PHE 26 HB3 PHE 26 -9.637 14.411 -6.491 170 HD1 PHE 26 HD1 PHE 26 -7.421 14.313 -5.371 171 HD2 PHE 26 HD2 PHE 26 -11.070 14.149 -3.191 172 HE1 PHE 26 HE1 PHE 26 -6.220 13.396 -3.433 173 HE2 PHE 26 HE2 PHE 26 -9.873 13.232 -1.247 174 HZ PHE 26 HZ PHE 26 -7.446 12.853 -1.371 175 H HIS 27 H HIS 27 -12.432 16.852 -5.144 176 HA HIS 27 HA HIS 27 -11.642 18.019 -2.570 177 HB2 HIS 27 HB2 HIS 27 -13.362 19.660 -2.661 178 HB3 HIS 27 HB3 HIS 27 -12.477 19.742 -4.171 179 HD1 HIS 27 HD1 HIS 27 -15.793 19.568 -2.799 180 HD2 HIS 27 HD2 HIS 27 -13.988 18.513 -6.395 181 HE1 HIS 27 HE1 HIS 27 -17.664 19.393 -4.472 182 HE2 HIS 27 HE2 HIS 27 -16.516 19.031 -6.683 183 H LEU 28 H LEU 28 -12.398 17.187 -0.847 184 HA LEU 28 HA LEU 28 -14.327 14.997 -1.129 185 HB2 LEU 28 HB2 LEU 28 -12.105 14.323 -0.399 186 HB3 LEU 28 HB3 LEU 28 -12.153 15.484 0.910 187 HG LEU 28 HG LEU 28 -14.282 13.410 0.878 188 HD11 LEU 28 HD11 LEU 28 -12.833 11.752 1.885 189 HD12 LEU 28 HD12 LEU 28 -12.231 12.170 0.281 190 HD13 LEU 28 HD13 LEU 28 -11.445 12.825 1.716 191 HD21 LEU 28 HD21 LEU 28 -12.556 14.613 3.043 192 HD22 LEU 28 HD22 LEU 28 -14.199 15.108 2.634 193 HD23 LEU 28 HD23 LEU 28 -13.901 13.500 3.294 194 H HIS 29 H HIS 29 -16.103 14.909 0.132 195 HA HIS 29 HA HIS 29 -16.607 17.260 1.823 196 HB2 HIS 29 HB2 HIS 29 -19.021 16.824 1.469 197 HB3 HIS 29 HB3 HIS 29 -18.165 17.172 -0.026 198 HD1 HIS 29 HD1 HIS 29 -18.105 15.347 -1.800 199 HD2 HIS 29 HD2 HIS 29 -19.979 14.167 1.711 200 HE1 HIS 29 HE1 HIS 29 -19.254 13.181 -2.347 201 HE2 HIS 29 HE2 HIS 29 -20.541 12.587 -0.262 202 H GLY 30 H GLY 30 -17.487 16.988 3.868 203 HA2 GLY 30 HA2 GLY 30 -17.279 14.226 4.893 204 HA3 GLY 30 HA3 GLY 30 -16.735 15.631 5.799 205 H GLU 31 H GLU 31 -18.862 13.471 6.178 206 HA GLU 31 HA GLU 31 -21.038 15.323 6.863 207 HB2 GLU 31 HB2 GLU 31 -22.653 13.515 6.323 208 HB3 GLU 31 HB3 GLU 31 -21.775 14.107 4.919 209 HG2 GLU 31 HG2 GLU 31 -20.303 12.168 5.012 210 HG3 GLU 31 HG3 GLU 31 -21.164 11.577 6.434 211 H LYS 32 H LYS 32 -22.404 14.614 8.587 212 HA LYS 32 HA LYS 32 -22.957 13.671 10.567 213 HB2 LYS 32 HB2 LYS 32 -21.027 11.457 9.867 214 HB3 LYS 32 HB3 LYS 32 -22.318 11.390 11.056 215 HG2 LYS 32 HG2 LYS 32 -22.626 11.598 8.071 216 HG3 LYS 32 HG3 LYS 32 -22.969 10.190 9.074 217 HD2 LYS 32 HD2 LYS 32 -24.733 11.465 10.225 218 HD3 LYS 32 HD3 LYS 32 -24.398 12.846 9.178 219 HE2 LYS 32 HE2 LYS 32 -25.325 10.125 8.262 220 HE3 LYS 32 HE3 LYS 32 -26.342 11.556 8.407 221 HZ1 LYS 32 HZ1 LYS 32 -24.029 11.221 6.564 222 HZ2 LYS 32 HZ2 LYS 32 -25.663 11.240 6.130 223 HZ3 LYS 32 HZ3 LYS 32 -24.937 12.645 6.737 224 H GLY 33 H GLY 33 -20.453 15.352 10.102 225 HA2 GLY 33 HA2 GLY 33 -19.116 16.430 11.678 226 HA3 GLY 33 HA3 GLY 33 -19.551 15.202 12.857 227 H LYS 34 H LYS 34 -18.756 12.897 11.832 228 HA LYS 34 HA LYS 34 -15.907 13.254 11.200 229 HB2 LYS 34 HB2 LYS 34 -17.124 11.267 13.126 230 HB3 LYS 34 HB3 LYS 34 -15.448 11.240 12.595 231 HG2 LYS 34 HG2 LYS 34 -15.109 13.451 13.587 232 HG3 LYS 34 HG3 LYS 34 -16.786 13.448 14.133 233 HD2 LYS 34 HD2 LYS 34 -14.742 11.377 14.914 234 HD3 LYS 34 HD3 LYS 34 -15.146 12.792 15.887 235 HE2 LYS 34 HE2 LYS 34 -17.095 10.654 15.035 236 HE3 LYS 34 HE3 LYS 34 -16.329 10.748 16.618 237 HZ1 LYS 34 HZ1 LYS 34 -17.415 12.852 17.008 238 HZ2 LYS 34 HZ2 LYS 34 -18.101 12.835 15.460 239 HZ3 LYS 34 HZ3 LYS 34 -18.575 11.684 16.609 240 H LEU 35 H LEU 35 -18.296 10.638 11.496 241 HA LEU 35 HA LEU 35 -16.932 9.037 9.599 242 HB2 LEU 35 HB2 LEU 35 -19.772 8.670 10.515 243 HB3 LEU 35 HB3 LEU 35 -18.686 7.447 9.890 244 HG LEU 35 HG LEU 35 -18.483 8.839 12.559 245 HD11 LEU 35 HD11 LEU 35 -19.067 5.989 11.789 246 HD12 LEU 35 HD12 LEU 35 -18.838 6.574 13.437 247 HD13 LEU 35 HD13 LEU 35 -20.205 7.145 12.481 248 HD21 LEU 35 HD21 LEU 35 -16.573 7.387 12.992 249 HD22 LEU 35 HD22 LEU 35 -16.661 6.769 11.343 250 HD23 LEU 35 HD23 LEU 35 -16.259 8.462 11.629 251 H GLY 36 H GLY 36 -16.921 9.347 7.493 252 HA2 GLY 36 HA2 GLY 36 -18.616 9.051 5.592 253 HA3 GLY 36 HA3 GLY 36 -19.303 10.533 6.234 254 H GLN 37 H GLN 37 -16.140 9.276 5.153 255 HA GLN 37 HA GLN 37 -15.611 11.869 3.904 256 HB2 GLN 37 HB2 GLN 37 -13.840 9.432 4.199 257 HB3 GLN 37 HB3 GLN 37 -13.353 10.944 3.455 258 HG2 GLN 37 HG2 GLN 37 -12.432 10.951 5.604 259 HG3 GLN 37 HG3 GLN 37 -13.809 12.047 5.673 260 HE21 GLN 37 HE21 GLN 37 -13.852 11.803 7.930 261 HE22 GLN 37 HE22 GLN 37 -14.506 10.390 8.673 262 H TYR 38 H TYR 38 -16.292 12.109 1.859 263 HA TYR 38 HA TYR 38 -16.040 9.831 0.022 264 HB2 TYR 38 HB2 TYR 38 -18.485 11.599 0.236 265 HB3 TYR 38 HB3 TYR 38 -18.221 10.373 -0.994 266 HD1 TYR 38 HD2 TYR 38 -17.852 7.943 -0.101 267 HD2 TYR 38 HD1 TYR 38 -19.660 11.061 2.151 268 HE1 TYR 38 HE2 TYR 38 -18.935 6.268 1.335 269 HE2 TYR 38 HE1 TYR 38 -20.746 9.396 3.597 270 HH TYR 38 HH TYR 38 -21.473 6.928 3.329 271 H ILE 39 H ILE 39 -15.386 10.338 -2.005 272 HA ILE 39 HA ILE 39 -14.467 13.018 -2.533 273 HB ILE 39 HB ILE 39 -14.643 10.762 -4.533 274 HG12 ILE 39 HG12 ILE 39 -13.490 9.903 -2.558 275 HG13 ILE 39 HG13 ILE 39 -12.355 10.134 -3.882 276 HG21 ILE 39 HG21 ILE 39 -12.784 13.123 -4.310 277 HG22 ILE 39 HG22 ILE 39 -12.737 11.888 -5.569 278 HG23 ILE 39 HG23 ILE 39 -14.130 12.963 -5.439 279 HD11 ILE 39 HD11 ILE 39 -11.630 12.241 -2.858 280 HD12 ILE 39 HD12 ILE 39 -12.729 11.941 -1.510 281 HD13 ILE 39 HD13 ILE 39 -11.380 10.846 -1.807 282 H ARG 40 H ARG 40 -15.500 14.572 -3.687 283 HA ARG 40 HA ARG 40 -18.172 13.928 -4.695 284 HB2 ARG 40 HB2 ARG 40 -18.005 15.881 -3.255 285 HB3 ARG 40 HB3 ARG 40 -16.789 16.590 -4.307 286 HG2 ARG 40 HG2 ARG 40 -18.848 17.687 -4.747 287 HG3 ARG 40 HG3 ARG 40 -18.505 16.642 -6.124 288 HD2 ARG 40 HD2 ARG 40 -20.815 16.411 -5.616 289 HD3 ARG 40 HD3 ARG 40 -20.009 14.933 -5.090 290 HE ARG 40 HE ARG 40 -20.203 16.818 -2.959 291 HH11 ARG 40 HH11 ARG 40 -22.047 14.496 -4.816 292 HH12 ARG 40 HH12 ARG 40 -23.201 14.187 -3.546 293 HH21 ARG 40 HH21 ARG 40 -21.728 16.432 -1.271 294 HH22 ARG 40 HH22 ARG 40 -23.014 15.295 -1.539 295 H LEU 41 H LEU 41 -15.219 15.562 -5.807 296 HA LEU 41 HA LEU 41 -15.634 14.510 -8.466 297 HB2 LEU 41 HB2 LEU 41 -16.948 16.622 -8.429 298 HB3 LEU 41 HB3 LEU 41 -15.486 17.494 -8.015 299 HG LEU 41 HG LEU 41 -14.486 16.786 -10.176 300 HD11 LEU 41 HD11 LEU 41 -15.942 15.842 -11.900 301 HD12 LEU 41 HD12 LEU 41 -15.771 14.749 -10.527 302 HD13 LEU 41 HD13 LEU 41 -17.245 15.696 -10.720 303 HD21 LEU 41 HD21 LEU 41 -15.811 18.283 -11.572 304 HD22 LEU 41 HD22 LEU 41 -17.125 18.228 -10.396 305 HD23 LEU 41 HD23 LEU 41 -15.579 18.958 -9.958 306 H VAL 42 H VAL 42 -13.770 14.483 -9.689 307 HA VAL 42 HA VAL 42 -11.319 15.345 -8.310 308 HB VAL 42 HB VAL 42 -11.398 12.954 -8.217 309 HG11 VAL 42 HG11 VAL 42 -11.623 11.540 -10.202 310 HG12 VAL 42 HG12 VAL 42 -13.060 12.526 -9.931 311 HG13 VAL 42 HG13 VAL 42 -11.906 12.976 -11.186 312 HG21 VAL 42 HG21 VAL 42 -9.218 13.867 -8.720 313 HG22 VAL 42 HG22 VAL 42 -9.428 12.322 -9.542 314 HG23 VAL 42 HG23 VAL 42 -9.570 13.829 -10.448 315 H GLU 43 H GLU 43 -9.858 16.481 -9.469 316 HA GLU 43 HA GLU 43 -10.721 17.753 -11.853 317 HB2 GLU 43 HB2 GLU 43 -9.268 18.728 -10.030 318 HB3 GLU 43 HB3 GLU 43 -7.956 17.737 -10.647 319 HG2 GLU 43 HG2 GLU 43 -8.155 18.868 -12.818 320 HG3 GLU 43 HG3 GLU 43 -9.406 19.897 -12.125 321 HA PRO 44 HA PRO 44 -9.470 14.784 -14.863 322 HB2 PRO 44 HB2 PRO 44 -9.027 16.554 -16.933 323 HB3 PRO 44 HB3 PRO 44 -10.613 15.941 -16.455 324 HG2 PRO 44 HG2 PRO 44 -9.286 18.525 -15.731 325 HG3 PRO 44 HG3 PRO 44 -10.968 18.226 -16.202 326 HD2 PRO 44 HD2 PRO 44 -10.324 18.579 -13.648 327 HD3 PRO 44 HD3 PRO 44 -11.530 17.359 -14.116 328 H GLY 45 H GLY 45 -7.458 17.521 -14.077 329 HA2 GLY 45 HA2 GLY 45 -5.137 16.115 -15.246 330 HA3 GLY 45 HA3 GLY 45 -5.236 17.858 -15.040 331 H SER 46 H SER 46 -6.175 15.409 -12.685 332 HA SER 46 HA SER 46 -4.133 16.526 -10.885 333 HB2 SER 46 HB2 SER 46 -5.574 15.842 -9.045 334 HB3 SER 46 HB3 SER 46 -6.502 16.820 -10.179 335 HG SER 46 HG SER 46 -7.543 15.033 -10.896 336 HA PRO 47 HA PRO 47 -2.124 12.558 -10.510 337 HB2 PRO 47 HB2 PRO 47 -1.612 12.561 -7.810 338 HB3 PRO 47 HB3 PRO 47 -0.631 13.417 -9.006 339 HG2 PRO 47 HG2 PRO 47 -2.799 14.463 -7.231 340 HG3 PRO 47 HG3 PRO 47 -1.237 15.197 -7.643 341 HD2 PRO 47 HD2 PRO 47 -3.512 16.001 -8.811 342 HD3 PRO 47 HD3 PRO 47 -1.987 15.922 -9.717 343 H ALA 48 H ALA 48 -4.932 13.441 -8.690 344 HA ALA 48 HA ALA 48 -5.506 10.977 -7.455 345 HB1 ALA 48 HB1 ALA 48 -7.794 11.784 -7.293 346 HB2 ALA 48 HB2 ALA 48 -6.661 13.077 -6.898 347 HB3 ALA 48 HB3 ALA 48 -7.456 13.048 -8.473 348 H GLU 49 H GLU 49 -6.403 12.302 -10.631 349 HA GLU 49 HA GLU 49 -7.836 10.141 -11.664 350 HB2 GLU 49 HB2 GLU 49 -5.992 12.129 -12.994 351 HB3 GLU 49 HB3 GLU 49 -6.927 10.950 -13.900 352 HG2 GLU 49 HG2 GLU 49 -8.239 12.832 -11.999 353 HG3 GLU 49 HG3 GLU 49 -7.836 13.322 -13.644 354 H LYS 50 H LYS 50 -4.398 10.855 -11.806 355 HA LYS 50 HA LYS 50 -3.595 8.603 -13.278 356 HB2 LYS 50 HB2 LYS 50 -1.945 10.083 -11.227 357 HB3 LYS 50 HB3 LYS 50 -1.340 9.110 -12.559 358 HG2 LYS 50 HG2 LYS 50 -2.521 10.777 -14.089 359 HG3 LYS 50 HG3 LYS 50 -2.671 11.795 -12.657 360 HD2 LYS 50 HD2 LYS 50 -0.126 10.793 -13.925 361 HD3 LYS 50 HD3 LYS 50 -0.698 12.459 -13.840 362 HE2 LYS 50 HE2 LYS 50 -0.412 12.491 -11.455 363 HE3 LYS 50 HE3 LYS 50 -0.015 10.773 -11.438 364 HZ1 LYS 50 HZ1 LYS 50 2.024 11.884 -11.312 365 HZ2 LYS 50 HZ2 LYS 50 1.907 11.399 -12.934 366 HZ3 LYS 50 HZ3 LYS 50 1.599 13.012 -12.513 367 H ALA 51 H ALA 51 -3.907 9.117 -9.800 368 HA ALA 51 HA ALA 51 -2.747 6.647 -9.028 369 HB1 ALA 51 HB1 ALA 51 -3.024 8.672 -7.566 370 HB2 ALA 51 HB2 ALA 51 -4.733 8.255 -7.438 371 HB3 ALA 51 HB3 ALA 51 -3.507 7.142 -6.835 372 H GLY 52 H GLY 52 -5.931 7.579 -10.075 373 HA2 GLY 52 HA2 GLY 52 -7.344 5.847 -11.015 374 HA3 GLY 52 HA3 GLY 52 -6.772 4.767 -9.752 375 H LEU 53 H LEU 53 -7.222 7.687 -8.345 376 HA LEU 53 HA LEU 53 -9.524 6.903 -6.901 377 HB2 LEU 53 HB2 LEU 53 -7.713 8.363 -6.029 378 HB3 LEU 53 HB3 LEU 53 -8.220 9.622 -7.133 379 HG LEU 53 HG LEU 53 -10.218 8.574 -5.179 380 HD11 LEU 53 HD11 LEU 53 -8.048 10.556 -4.497 381 HD12 LEU 53 HD12 LEU 53 -9.405 10.096 -3.468 382 HD13 LEU 53 HD13 LEU 53 -8.160 8.912 -3.871 383 HD21 LEU 53 HD21 LEU 53 -9.609 11.320 -6.280 384 HD22 LEU 53 HD22 LEU 53 -10.872 10.234 -6.861 385 HD23 LEU 53 HD23 LEU 53 -10.965 10.901 -5.231 386 H LEU 54 H LEU 54 -11.636 7.359 -7.224 387 HA LEU 54 HA LEU 54 -12.298 8.888 -9.650 388 HB2 LEU 54 HB2 LEU 54 -13.778 6.593 -8.360 389 HB3 LEU 54 HB3 LEU 54 -14.337 7.489 -9.759 390 HG LEU 54 HG LEU 54 -11.803 5.851 -9.669 391 HD11 LEU 54 HD11 LEU 54 -13.708 4.392 -9.522 392 HD12 LEU 54 HD12 LEU 54 -14.514 5.247 -10.840 393 HD13 LEU 54 HD13 LEU 54 -13.050 4.313 -11.155 394 HD21 LEU 54 HD21 LEU 54 -11.667 7.694 -11.245 395 HD22 LEU 54 HD22 LEU 54 -11.824 6.164 -12.108 396 HD23 LEU 54 HD23 LEU 54 -13.217 7.233 -11.947 397 H ALA 55 H ALA 55 -14.446 9.896 -9.629 398 HA ALA 55 HA ALA 55 -14.733 11.484 -7.241 399 HB1 ALA 55 HB1 ALA 55 -16.364 12.748 -8.513 400 HB2 ALA 55 HB2 ALA 55 -14.917 12.473 -9.484 401 HB3 ALA 55 HB3 ALA 55 -16.369 11.515 -9.773 402 H GLY 56 H GLY 56 -15.344 9.742 -5.810 403 HA2 GLY 56 HA2 GLY 56 -17.902 9.785 -4.954 404 HA3 GLY 56 HA3 GLY 56 -17.941 8.519 -6.171 405 H ASP 57 H ASP 57 -14.950 8.133 -5.200 406 HA ASP 57 HA ASP 57 -15.482 5.820 -3.695 407 HB2 ASP 57 HB2 ASP 57 -12.964 7.387 -4.210 408 HB3 ASP 57 HB3 ASP 57 -12.973 5.960 -3.183 409 H ARG 58 H ARG 58 -14.953 5.316 -1.550 410 HA ARG 58 HA ARG 58 -15.001 7.611 0.285 411 HB2 ARG 58 HB2 ARG 58 -15.717 6.053 2.010 412 HB3 ARG 58 HB3 ARG 58 -16.785 5.940 0.620 413 HG2 ARG 58 HG2 ARG 58 -15.965 3.853 0.005 414 HG3 ARG 58 HG3 ARG 58 -14.491 4.050 0.956 415 HD2 ARG 58 HD2 ARG 58 -17.279 3.729 2.065 416 HD3 ARG 58 HD3 ARG 58 -16.030 2.483 2.024 417 HE ARG 58 HE ARG 58 -15.241 4.904 3.368 418 HH11 ARG 58 HH11 ARG 58 -16.728 1.744 3.755 419 HH12 ARG 58 HH12 ARG 58 -16.424 1.687 5.468 420 HH21 ARG 58 HH21 ARG 58 -14.829 4.805 5.601 421 HH22 ARG 58 HH22 ARG 58 -15.308 3.405 6.512 422 H LEU 59 H LEU 59 -13.382 7.918 1.753 423 HA LEU 59 HA LEU 59 -10.923 6.440 1.252 424 HB2 LEU 59 HB2 LEU 59 -10.897 8.914 1.320 425 HB3 LEU 59 HB3 LEU 59 -11.416 8.863 2.994 426 HG LEU 59 HG LEU 59 -9.315 7.728 3.603 427 HD11 LEU 59 HD11 LEU 59 -7.501 7.595 1.968 428 HD12 LEU 59 HD12 LEU 59 -8.875 6.596 1.496 429 HD13 LEU 59 HD13 LEU 59 -8.599 8.149 0.705 430 HD21 LEU 59 HD21 LEU 59 -7.847 9.644 3.285 431 HD22 LEU 59 HD22 LEU 59 -8.931 10.279 2.046 432 HD23 LEU 59 HD23 LEU 59 -9.477 10.158 3.719 433 H VAL 60 H VAL 60 -10.082 4.982 2.596 434 HA VAL 60 HA VAL 60 -11.600 4.357 5.027 435 HB VAL 60 HB VAL 60 -9.563 2.693 3.538 436 HG11 VAL 60 HG11 VAL 60 -10.381 0.839 4.918 437 HG12 VAL 60 HG12 VAL 60 -9.648 2.113 5.893 438 HG13 VAL 60 HG13 VAL 60 -11.404 1.963 5.811 439 HG21 VAL 60 HG21 VAL 60 -11.472 1.380 2.766 440 HG22 VAL 60 HG22 VAL 60 -12.574 2.484 3.589 441 HG23 VAL 60 HG23 VAL 60 -11.599 3.057 2.235 442 H GLU 61 H GLU 61 -8.195 4.491 3.956 443 HA GLU 61 HA GLU 61 -7.473 5.717 6.474 444 HB2 GLU 61 HB2 GLU 61 -5.632 4.064 6.863 445 HB3 GLU 61 HB3 GLU 61 -7.255 3.459 7.148 446 HG2 GLU 61 HG2 GLU 61 -7.215 2.318 4.999 447 HG3 GLU 61 HG3 GLU 61 -5.589 2.935 4.697 448 H VAL 62 H VAL 62 -5.180 6.371 6.525 449 HA VAL 62 HA VAL 62 -4.270 7.086 3.814 450 HB VAL 62 HB VAL 62 -4.101 8.780 6.318 451 HG11 VAL 62 HG11 VAL 62 -3.192 10.523 4.848 452 HG12 VAL 62 HG12 VAL 62 -2.149 9.101 4.899 453 HG13 VAL 62 HG13 VAL 62 -3.192 9.380 3.504 454 HG21 VAL 62 HG21 VAL 62 -6.355 8.723 5.399 455 HG22 VAL 62 HG22 VAL 62 -5.618 10.304 5.140 456 HG23 VAL 62 HG23 VAL 62 -5.731 9.154 3.807 457 H ASN 63 H ASN 63 -2.421 6.180 3.348 458 HA ASN 63 HA ASN 63 -0.293 5.446 3.422 459 HB2 ASN 63 HB2 ASN 63 -0.245 7.239 5.827 460 HB3 ASN 63 HB3 ASN 63 1.157 6.259 5.405 461 HD21 ASN 63 HD21 ASN 63 2.408 8.075 4.970 462 HD22 ASN 63 HD22 ASN 63 2.167 9.044 3.559 463 H GLY 64 H GLY 64 -1.135 5.344 6.895 464 HA2 GLY 64 HA2 GLY 64 -1.098 2.436 6.745 465 HA3 GLY 64 HA3 GLY 64 0.180 3.170 7.694 466 H GLU 65 H GLU 65 -2.499 5.133 7.999 467 HA GLU 65 HA GLU 65 -3.435 3.608 10.323 468 HB2 GLU 65 HB2 GLU 65 -3.601 5.638 11.628 469 HB3 GLU 65 HB3 GLU 65 -1.957 5.414 11.059 470 HG2 GLU 65 HG2 GLU 65 -2.348 7.072 9.297 471 HG3 GLU 65 HG3 GLU 65 -3.985 7.317 9.914 472 H ASN 66 H ASN 66 -5.569 3.569 10.711 473 HA ASN 66 HA ASN 66 -7.318 4.115 8.541 474 HB2 ASN 66 HB2 ASN 66 -7.662 2.230 10.090 475 HB3 ASN 66 HB3 ASN 66 -7.962 3.363 11.403 476 HD21 ASN 66 HD21 ASN 66 -9.221 1.905 8.532 477 HD22 ASN 66 HD22 ASN 66 -10.856 2.453 8.717 478 H VAL 67 H VAL 67 -8.712 5.777 8.188 479 HA VAL 67 HA VAL 67 -8.684 7.946 10.187 480 HB VAL 67 HB VAL 67 -8.819 9.576 8.357 481 HG11 VAL 67 HG11 VAL 67 -6.636 9.039 9.254 482 HG12 VAL 67 HG12 VAL 67 -6.485 7.682 8.138 483 HG13 VAL 67 HG13 VAL 67 -6.518 9.332 7.518 484 HG21 VAL 67 HG21 VAL 67 -8.377 8.855 6.036 485 HG22 VAL 67 HG22 VAL 67 -8.500 7.176 6.557 486 HG23 VAL 67 HG23 VAL 67 -9.906 8.235 6.659 487 H GLU 68 H GLU 68 -10.625 5.661 9.319 488 HA GLU 68 HA GLU 68 -12.909 6.826 8.183 489 HB2 GLU 68 HB2 GLU 68 -12.609 4.459 10.021 490 HB3 GLU 68 HB3 GLU 68 -14.136 4.912 9.281 491 HG2 GLU 68 HG2 GLU 68 -13.086 4.641 7.059 492 HG3 GLU 68 HG3 GLU 68 -11.623 4.070 7.861 493 H LYS 69 H LYS 69 -11.747 6.751 11.475 494 HA LYS 69 HA LYS 69 -14.300 7.811 12.443 495 HB2 LYS 69 HB2 LYS 69 -11.986 6.928 14.161 496 HB3 LYS 69 HB3 LYS 69 -13.670 7.124 14.624 497 HG2 LYS 69 HG2 LYS 69 -12.529 4.984 12.835 498 HG3 LYS 69 HG3 LYS 69 -13.139 4.781 14.476 499 HD2 LYS 69 HD2 LYS 69 -15.379 5.356 13.744 500 HD3 LYS 69 HD3 LYS 69 -14.788 5.674 12.111 501 HE2 LYS 69 HE2 LYS 69 -15.722 3.516 12.019 502 HE3 LYS 69 HE3 LYS 69 -13.979 3.264 12.098 503 HZ1 LYS 69 HZ1 LYS 69 -14.893 1.752 13.615 504 HZ2 LYS 69 HZ2 LYS 69 -14.337 3.023 14.589 505 HZ3 LYS 69 HZ3 LYS 69 -15.989 2.886 14.238 506 H GLU 70 H GLU 70 -11.802 9.166 11.092 507 HA GLU 70 HA GLU 70 -11.186 11.195 13.069 508 HB2 GLU 70 HB2 GLU 70 -10.381 10.888 10.173 509 HB3 GLU 70 HB3 GLU 70 -9.788 12.145 11.254 510 HG2 GLU 70 HG2 GLU 70 -9.425 9.196 11.694 511 HG3 GLU 70 HG3 GLU 70 -8.229 10.264 10.973 512 H THR 71 H THR 71 -11.431 13.505 12.487 513 HA THR 71 HA THR 71 -14.092 14.052 11.554 514 HB THR 71 HB THR 71 -13.611 16.389 12.022 515 HG1 THR 71 HG1 THR 71 -11.403 16.860 12.851 516 HG21 THR 71 HG21 THR 71 -12.425 14.604 14.148 517 HG22 THR 71 HG22 THR 71 -13.010 16.249 14.394 518 HG23 THR 71 HG23 THR 71 -14.138 14.969 13.943 519 H HIS 72 H HIS 72 -14.425 15.815 9.863 520 HA HIS 72 HA HIS 72 -13.336 15.091 7.403 521 HB2 HIS 72 HB2 HIS 72 -15.405 16.319 7.511 522 HB3 HIS 72 HB3 HIS 72 -14.618 17.679 8.300 523 HD1 HIS 72 HD1 HIS 72 -14.743 15.935 4.944 524 HD2 HIS 72 HD2 HIS 72 -13.613 19.570 6.606 525 HE1 HIS 72 HE1 HIS 72 -14.213 17.429 2.993 526 HE2 HIS 72 HE2 HIS 72 -13.391 19.586 4.029 527 H GLN 73 H GLN 73 -12.409 17.674 9.639 528 HA GLN 73 HA GLN 73 -10.338 18.776 8.077 529 HB2 GLN 73 HB2 GLN 73 -11.243 20.042 9.888 530 HB3 GLN 73 HB3 GLN 73 -10.861 18.778 11.048 531 HG2 GLN 73 HG2 GLN 73 -8.487 19.194 10.747 532 HG3 GLN 73 HG3 GLN 73 -8.845 20.426 9.538 533 HE21 GLN 73 HE21 GLN 73 -7.445 20.579 12.125 534 HE22 GLN 73 HE22 GLN 73 -8.272 21.807 13.025 535 H GLN 74 H GLN 74 -10.266 16.287 10.633 536 HA GLN 74 HA GLN 74 -7.475 16.054 10.792 537 HB2 GLN 74 HB2 GLN 74 -9.657 14.057 11.379 538 HB3 GLN 74 HB3 GLN 74 -7.957 13.715 11.661 539 HG2 GLN 74 HG2 GLN 74 -9.624 15.844 12.971 540 HG3 GLN 74 HG3 GLN 74 -8.961 14.390 13.716 541 HE21 GLN 74 HE21 GLN 74 -8.341 17.597 12.657 542 HE22 GLN 74 HE22 GLN 74 -6.736 17.735 13.287 543 H VAL 75 H VAL 75 -9.819 14.277 8.819 544 HA VAL 75 HA VAL 75 -8.005 12.453 7.700 545 HB VAL 75 HB VAL 75 -10.538 13.530 6.451 546 HG11 VAL 75 HG11 VAL 75 -9.117 12.389 4.831 547 HG12 VAL 75 HG12 VAL 75 -8.991 10.996 5.906 548 HG13 VAL 75 HG13 VAL 75 -10.547 11.422 5.193 549 HG21 VAL 75 HG21 VAL 75 -10.097 11.111 8.193 550 HG22 VAL 75 HG22 VAL 75 -10.932 12.591 8.666 551 HG23 VAL 75 HG23 VAL 75 -11.612 11.556 7.410 552 H VAL 76 H VAL 76 -9.166 15.589 6.477 553 HA VAL 76 HA VAL 76 -7.770 15.505 4.024 554 HB VAL 76 HB VAL 76 -8.696 17.904 5.619 555 HG11 VAL 76 HG11 VAL 76 -7.878 17.750 2.717 556 HG12 VAL 76 HG12 VAL 76 -8.540 19.163 3.537 557 HG13 VAL 76 HG13 VAL 76 -6.961 18.533 4.005 558 HG21 VAL 76 HG21 VAL 76 -9.975 16.465 3.296 559 HG22 VAL 76 HG22 VAL 76 -10.502 16.383 4.977 560 HG23 VAL 76 HG23 VAL 76 -10.602 17.907 4.095 561 H SER 77 H SER 77 -6.887 16.731 7.206 562 HA SER 77 HA SER 77 -4.524 18.047 6.458 563 HB2 SER 77 HB2 SER 77 -5.218 16.800 9.127 564 HB3 SER 77 HB3 SER 77 -3.982 18.026 8.841 565 HG SER 77 HG SER 77 -6.783 18.253 8.784 566 H ARG 78 H ARG 78 -5.126 14.692 7.417 567 HA ARG 78 HA ARG 78 -2.395 13.960 7.601 568 HB2 ARG 78 HB2 ARG 78 -4.786 12.199 7.031 569 HB3 ARG 78 HB3 ARG 78 -3.193 11.639 7.516 570 HG2 ARG 78 HG2 ARG 78 -3.504 13.034 9.612 571 HG3 ARG 78 HG3 ARG 78 -5.198 13.174 9.134 572 HD2 ARG 78 HD2 ARG 78 -5.278 10.669 9.033 573 HD3 ARG 78 HD3 ARG 78 -3.662 10.655 9.737 574 HE ARG 78 HE ARG 78 -6.155 11.349 11.069 575 HH11 ARG 78 HH11 ARG 78 -2.657 11.303 11.237 576 HH12 ARG 78 HH12 ARG 78 -2.617 11.282 12.973 577 HH21 ARG 78 HH21 ARG 78 -6.119 11.331 13.328 578 HH22 ARG 78 HH22 ARG 78 -4.590 11.310 14.168 579 H ILE 79 H ILE 79 -4.727 13.944 4.968 580 HA ILE 79 HA ILE 79 -3.124 12.584 3.080 581 HB ILE 79 HB ILE 79 -5.239 14.673 2.524 582 HG12 ILE 79 HG12 ILE 79 -5.549 11.669 2.711 583 HG13 ILE 79 HG13 ILE 79 -6.042 12.797 3.971 584 HG21 ILE 79 HG21 ILE 79 -4.132 12.453 0.810 585 HG22 ILE 79 HG22 ILE 79 -5.466 13.518 0.370 586 HG23 ILE 79 HG23 ILE 79 -3.847 14.179 0.595 587 HD11 ILE 79 HD11 ILE 79 -7.936 12.084 2.619 588 HD12 ILE 79 HD12 ILE 79 -7.641 13.813 2.435 589 HD13 ILE 79 HD13 ILE 79 -7.140 12.694 1.168 590 H ARG 80 H ARG 80 -3.601 16.030 3.773 591 HA ARG 80 HA ARG 80 -1.891 16.976 1.729 592 HB2 ARG 80 HB2 ARG 80 -2.984 18.231 4.228 593 HB3 ARG 80 HB3 ARG 80 -1.875 19.094 3.173 594 HG2 ARG 80 HG2 ARG 80 -3.457 18.767 1.305 595 HG3 ARG 80 HG3 ARG 80 -4.584 18.014 2.436 596 HD2 ARG 80 HD2 ARG 80 -4.680 20.050 3.739 597 HD3 ARG 80 HD3 ARG 80 -3.484 20.805 2.690 598 HE ARG 80 HE ARG 80 -5.459 20.138 0.974 599 HH11 ARG 80 HH11 ARG 80 -5.377 21.891 4.002 600 HH12 ARG 80 HH12 ARG 80 -6.747 22.893 3.616 601 HH21 ARG 80 HH21 ARG 80 -7.240 21.477 0.426 602 HH22 ARG 80 HH22 ARG 80 -7.785 22.678 1.561 603 H ALA 81 H ALA 81 -1.281 15.758 4.893 604 HA ALA 81 HA ALA 81 1.138 17.053 5.489 605 HB1 ALA 81 HB1 ALA 81 -0.201 15.870 7.149 606 HB2 ALA 81 HB2 ALA 81 0.194 14.334 6.378 607 HB3 ALA 81 HB3 ALA 81 1.467 15.294 7.136 608 H ALA 82 H ALA 82 0.483 14.721 3.114 609 HA ALA 82 HA ALA 82 3.050 13.469 3.055 610 HB1 ALA 82 HB1 ALA 82 1.128 12.373 2.066 611 HB2 ALA 82 HB2 ALA 82 0.950 13.690 0.905 612 HB3 ALA 82 HB3 ALA 82 2.374 12.648 0.849 613 H LEU 83 H LEU 83 4.886 14.192 2.215 614 HA LEU 83 HA LEU 83 4.961 16.905 1.249 615 HB2 LEU 83 HB2 LEU 83 7.131 14.889 1.799 616 HB3 LEU 83 HB3 LEU 83 7.447 16.521 1.235 617 HG LEU 83 HG LEU 83 6.069 15.812 3.830 618 HD11 LEU 83 HD11 LEU 83 8.437 15.238 3.871 619 HD12 LEU 83 HD12 LEU 83 8.846 16.860 3.311 620 HD13 LEU 83 HD13 LEU 83 8.104 16.637 4.894 621 HD21 LEU 83 HD21 LEU 83 5.290 17.930 2.901 622 HD22 LEU 83 HD22 LEU 83 6.291 18.200 4.329 623 HD23 LEU 83 HD23 LEU 83 6.958 18.472 2.720 624 H ASN 84 H ASN 84 5.091 13.734 -0.141 625 HA ASN 84 HA ASN 84 5.139 15.003 -2.766 626 HB2 ASN 84 HB2 ASN 84 7.493 14.316 -2.269 627 HB3 ASN 84 HB3 ASN 84 6.933 12.648 -2.157 628 HD21 ASN 84 HD21 ASN 84 7.540 15.339 -4.264 629 HD22 ASN 84 HD22 ASN 84 7.411 14.465 -5.754 630 H ALA 85 H ALA 85 4.836 11.926 -0.990 631 HA ALA 85 HA ALA 85 2.721 11.187 -2.897 632 HB1 ALA 85 HB1 ALA 85 4.756 10.022 -3.551 633 HB2 ALA 85 HB2 ALA 85 4.908 9.354 -1.925 634 HB3 ALA 85 HB3 ALA 85 3.546 8.889 -2.947 635 H VAL 86 H VAL 86 0.946 10.330 -2.041 636 HA VAL 86 HA VAL 86 0.993 9.528 0.797 637 HB VAL 86 HB VAL 86 -0.000 11.787 0.573 638 HG11 VAL 86 HG11 VAL 86 -2.177 12.057 -0.544 639 HG12 VAL 86 HG12 VAL 86 -0.880 11.656 -1.671 640 HG13 VAL 86 HG13 VAL 86 -2.033 10.417 -1.176 641 HG21 VAL 86 HG21 VAL 86 -2.080 11.339 1.783 642 HG22 VAL 86 HG22 VAL 86 -1.988 9.644 1.303 643 HG23 VAL 86 HG23 VAL 86 -0.755 10.327 2.363 644 H ARG 87 H ARG 87 -0.315 7.767 1.314 645 HA ARG 87 HA ARG 87 -1.362 6.321 -1.018 646 HB2 ARG 87 HB2 ARG 87 -0.759 5.289 1.761 647 HB3 ARG 87 HB3 ARG 87 -1.351 4.319 0.426 648 HG2 ARG 87 HG2 ARG 87 0.936 3.870 0.549 649 HG3 ARG 87 HG3 ARG 87 0.765 4.989 -0.803 650 HD2 ARG 87 HD2 ARG 87 1.465 6.836 0.614 651 HD3 ARG 87 HD3 ARG 87 1.573 5.756 2.002 652 HE ARG 87 HE ARG 87 3.229 4.654 0.105 653 HH11 ARG 87 HH11 ARG 87 3.006 7.754 1.719 654 HH12 ARG 87 HH12 ARG 87 4.719 8.042 1.671 655 HH21 ARG 87 HH21 ARG 87 5.469 5.024 0.062 656 HH22 ARG 87 HH22 ARG 87 6.117 6.489 0.734 657 H LEU 88 H LEU 88 -3.431 6.722 -1.356 658 HA LEU 88 HA LEU 88 -5.191 6.986 0.983 659 HB2 LEU 88 HB2 LEU 88 -5.697 7.792 -1.888 660 HB3 LEU 88 HB3 LEU 88 -6.806 8.023 -0.551 661 HG LEU 88 HG LEU 88 -4.160 9.403 -0.984 662 HD11 LEU 88 HD11 LEU 88 -5.529 11.417 -1.008 663 HD12 LEU 88 HD12 LEU 88 -6.023 10.289 -2.270 664 HD13 LEU 88 HD13 LEU 88 -6.982 10.441 -0.797 665 HD21 LEU 88 HD21 LEU 88 -4.403 8.846 1.385 666 HD22 LEU 88 HD22 LEU 88 -4.589 10.578 1.119 667 HD23 LEU 88 HD23 LEU 88 -6.010 9.573 1.398 668 H LEU 89 H LEU 89 -6.166 5.145 1.496 669 HA LEU 89 HA LEU 89 -6.676 3.161 -0.562 670 HB2 LEU 89 HB2 LEU 89 -5.869 2.543 1.731 671 HB3 LEU 89 HB3 LEU 89 -7.428 3.057 2.356 672 HG LEU 89 HG LEU 89 -8.504 1.378 0.844 673 HD11 LEU 89 HD11 LEU 89 -5.651 0.491 0.457 674 HD12 LEU 89 HD12 LEU 89 -7.080 -0.422 -0.030 675 HD13 LEU 89 HD13 LEU 89 -6.730 1.138 -0.777 676 HD21 LEU 89 HD21 LEU 89 -8.192 0.919 3.190 677 HD22 LEU 89 HD22 LEU 89 -7.936 -0.544 2.241 678 HD23 LEU 89 HD23 LEU 89 -6.554 0.343 2.888 679 H VAL 90 H VAL 90 -8.498 3.063 -1.648 680 HA VAL 90 HA VAL 90 -10.889 4.370 -0.553 681 HB VAL 90 HB VAL 90 -11.327 5.454 -2.748 682 HG11 VAL 90 HG11 VAL 90 -9.750 7.309 -2.462 683 HG12 VAL 90 HG12 VAL 90 -10.414 6.764 -0.922 684 HG13 VAL 90 HG13 VAL 90 -8.777 6.303 -1.391 685 HG21 VAL 90 HG21 VAL 90 -9.937 4.062 -4.174 686 HG22 VAL 90 HG22 VAL 90 -9.465 5.754 -4.335 687 HG23 VAL 90 HG23 VAL 90 -8.486 4.651 -3.367 688 H VAL 91 H VAL 91 -12.840 3.678 -1.411 689 HA VAL 91 HA VAL 91 -12.878 1.670 -3.490 690 HB VAL 91 HB VAL 91 -12.495 0.361 -1.416 691 HG11 VAL 91 HG11 VAL 91 -13.587 1.801 0.195 692 HG12 VAL 91 HG12 VAL 91 -15.153 1.477 -0.545 693 HG13 VAL 91 HG13 VAL 91 -14.273 0.177 0.259 694 HG21 VAL 91 HG21 VAL 91 -15.229 -0.050 -2.615 695 HG22 VAL 91 HG22 VAL 91 -13.708 -0.633 -3.290 696 HG23 VAL 91 HG23 VAL 91 -14.283 -1.256 -1.743 697 H ASP 92 H ASP 92 -14.909 1.536 -4.510 698 HA ASP 92 HA ASP 92 -16.683 3.702 -4.322 699 HB2 ASP 92 HB2 ASP 92 -17.073 0.919 -5.448 700 HB3 ASP 92 HB3 ASP 92 -18.271 2.197 -5.599 701 HA PRO 93 HA PRO 93 -18.771 2.709 -0.515 702 HB2 PRO 93 HB2 PRO 93 -20.899 4.405 -1.714 703 HB3 PRO 93 HB3 PRO 93 -20.092 4.550 -0.149 704 HG2 PRO 93 HG2 PRO 93 -19.513 6.225 -2.131 705 HG3 PRO 93 HG3 PRO 93 -18.241 5.619 -1.054 706 HD2 PRO 93 HD2 PRO 93 -18.921 4.783 -3.844 707 HD3 PRO 93 HD3 PRO 93 -17.329 4.985 -3.084 708 H GLU 94 H GLU 94 -20.157 2.351 -3.698 709 HA GLU 94 HA GLU 94 -22.446 0.848 -2.929 710 HB2 GLU 94 HB2 GLU 94 -20.961 0.896 -5.564 711 HB3 GLU 94 HB3 GLU 94 -22.581 0.257 -5.307 712 HG2 GLU 94 HG2 GLU 94 -23.384 2.466 -4.715 713 HG3 GLU 94 HG3 GLU 94 -21.759 3.122 -4.897 714 H THR 95 H THR 95 -19.217 -0.019 -4.114 715 HA THR 95 HA THR 95 -19.570 -2.832 -3.882 716 HB THR 95 HB THR 95 -16.960 -1.305 -3.805 717 HG1 THR 95 HG1 THR 95 -17.021 -1.310 -6.042 718 HG21 THR 95 HG21 THR 95 -17.636 -4.082 -4.792 719 HG22 THR 95 HG22 THR 95 -16.043 -3.326 -4.838 720 HG23 THR 95 HG23 THR 95 -16.799 -3.697 -3.287 721 H ASP 96 H ASP 96 -18.343 -0.290 -1.826 722 HA ASP 96 HA ASP 96 -17.154 -1.760 0.217 723 HB2 ASP 96 HB2 ASP 96 -16.757 0.569 0.121 724 HB3 ASP 96 HB3 ASP 96 -18.474 0.947 0.120 725 H GLU 97 H GLU 97 -20.497 -0.798 -0.244 726 HA GLU 97 HA GLU 97 -21.543 -1.486 2.242 727 HB2 GLU 97 HB2 GLU 97 -22.790 -0.213 0.601 728 HB3 GLU 97 HB3 GLU 97 -22.804 -1.583 -0.498 729 HG2 GLU 97 HG2 GLU 97 -24.167 -2.834 1.135 730 HG3 GLU 97 HG3 GLU 97 -24.198 -1.398 2.162 731 H GLN 98 H GLN 98 -21.113 -3.465 -0.668 732 HA GLN 98 HA GLN 98 -22.258 -5.807 0.496 733 HB2 GLN 98 HB2 GLN 98 -22.193 -5.246 -1.950 734 HB3 GLN 98 HB3 GLN 98 -20.473 -5.614 -1.922 735 HG2 GLN 98 HG2 GLN 98 -20.857 -7.882 -1.480 736 HG3 GLN 98 HG3 GLN 98 -22.544 -7.598 -1.048 737 HE21 GLN 98 HE21 GLN 98 -20.259 -7.823 -3.651 738 HE22 GLN 98 HE22 GLN 98 -21.413 -7.984 -4.926 739 H LEU 99 H LEU 99 -18.935 -4.675 -0.048 740 HA LEU 99 HA LEU 99 -17.750 -7.173 0.519 741 HB2 LEU 99 HB2 LEU 99 -15.624 -5.973 0.550 742 HB3 LEU 99 HB3 LEU 99 -16.588 -5.699 -0.875 743 HG LEU 99 HG LEU 99 -17.299 -3.509 0.275 744 HD11 LEU 99 HD11 LEU 99 -16.335 -4.175 2.471 745 HD12 LEU 99 HD12 LEU 99 -14.730 -4.029 1.754 746 HD13 LEU 99 HD13 LEU 99 -15.769 -2.609 1.880 747 HD21 LEU 99 HD21 LEU 99 -14.460 -3.872 -0.665 748 HD22 LEU 99 HD22 LEU 99 -15.869 -3.720 -1.717 749 HD23 LEU 99 HD23 LEU 99 -15.390 -2.373 -0.678 750 H GLN 100 H GLN 100 -18.483 -4.470 2.560 751 HA GLN 100 HA GLN 100 -16.968 -5.159 4.790 752 HB2 GLN 100 HB2 GLN 100 -18.862 -4.093 6.147 753 HB3 GLN 100 HB3 GLN 100 -18.029 -3.095 4.966 754 HG2 GLN 100 HG2 GLN 100 -19.830 -3.187 3.465 755 HG3 GLN 100 HG3 GLN 100 -20.592 -4.511 4.342 756 HE21 GLN 100 HE21 GLN 100 -22.492 -3.245 4.366 757 HE22 GLN 100 HE22 GLN 100 -22.696 -1.973 5.523 758 H LYS 101 H LYS 101 -20.037 -6.537 3.713 759 HA LYS 101 HA LYS 101 -20.512 -8.119 6.016 760 HB2 LYS 101 HB2 LYS 101 -21.420 -8.298 3.157 761 HB3 LYS 101 HB3 LYS 101 -21.792 -9.586 4.293 762 HG2 LYS 101 HG2 LYS 101 -23.666 -8.155 4.210 763 HG3 LYS 101 HG3 LYS 101 -22.866 -7.870 5.752 764 HD2 LYS 101 HD2 LYS 101 -21.820 -5.862 4.851 765 HD3 LYS 101 HD3 LYS 101 -22.598 -6.150 3.293 766 HE2 LYS 101 HE2 LYS 101 -23.814 -4.475 4.591 767 HE3 LYS 101 HE3 LYS 101 -24.792 -5.923 4.343 768 HZ1 LYS 101 HZ1 LYS 101 -24.906 -5.052 6.628 769 HZ2 LYS 101 HZ2 LYS 101 -24.309 -6.638 6.570 770 HZ3 LYS 101 HZ3 LYS 101 -23.243 -5.338 6.813 771 H LEU 102 H LEU 102 -18.368 -8.421 3.343 772 HA LEU 102 HA LEU 102 -17.862 -11.247 3.751 773 HB2 LEU 102 HB2 LEU 102 -16.272 -9.363 2.027 774 HB3 LEU 102 HB3 LEU 102 -16.433 -11.103 1.863 775 HG LEU 102 HG LEU 102 -18.545 -9.028 1.272 776 HD11 LEU 102 HD11 LEU 102 -16.841 -9.245 -0.452 777 HD12 LEU 102 HD12 LEU 102 -17.120 -10.987 -0.517 778 HD13 LEU 102 HD13 LEU 102 -18.395 -9.870 -1.007 779 HD21 LEU 102 HD21 LEU 102 -19.995 -10.847 0.614 780 HD22 LEU 102 HD22 LEU 102 -18.773 -12.028 1.089 781 HD23 LEU 102 HD23 LEU 102 -19.544 -11.015 2.310 782 H GLY 103 H GLY 103 -15.889 -8.291 3.835 783 HA2 GLY 103 HA2 GLY 103 -14.098 -7.704 5.145 784 HA3 GLY 103 HA3 GLY 103 -15.068 -8.399 6.430 785 H VAL 104 H VAL 104 -13.564 -10.145 3.746 786 HA VAL 104 HA VAL 104 -12.276 -11.941 5.578 787 HB VAL 104 HB VAL 104 -11.758 -11.809 2.612 788 HG11 VAL 104 HG11 VAL 104 -11.374 -14.219 2.863 789 HG12 VAL 104 HG12 VAL 104 -10.287 -13.275 3.883 790 HG13 VAL 104 HG13 VAL 104 -11.683 -14.085 4.594 791 HG21 VAL 104 HG21 VAL 104 -14.168 -11.821 2.937 792 HG22 VAL 104 HG22 VAL 104 -13.621 -13.379 2.318 793 HG23 VAL 104 HG23 VAL 104 -14.032 -13.202 4.024 794 H GLN 105 H GLN 105 -11.324 -9.610 6.295 795 HA GLN 105 HA GLN 105 -9.441 -8.440 6.813 796 HB2 GLN 105 HB2 GLN 105 -8.020 -11.010 6.112 797 HB3 GLN 105 HB3 GLN 105 -7.517 -9.787 7.272 798 HG2 GLN 105 HG2 GLN 105 -9.944 -11.549 7.506 799 HG3 GLN 105 HG3 GLN 105 -8.430 -11.749 8.383 800 HE21 GLN 105 HE21 GLN 105 -11.226 -11.268 9.271 801 HE22 GLN 105 HE22 GLN 105 -11.138 -9.867 10.295 802 H VAL 106 H VAL 106 -10.221 -8.022 4.149 803 HA VAL 106 HA VAL 106 -7.958 -8.326 2.387 804 HB VAL 106 HB VAL 106 -10.349 -8.555 1.678 805 HG11 VAL 106 HG11 VAL 106 -11.606 -6.504 1.168 806 HG12 VAL 106 HG12 VAL 106 -11.315 -6.708 2.896 807 HG13 VAL 106 HG13 VAL 106 -10.354 -5.556 1.969 808 HG21 VAL 106 HG21 VAL 106 -10.054 -7.368 -0.477 809 HG22 VAL 106 HG22 VAL 106 -8.643 -6.558 0.205 810 HG23 VAL 106 HG23 VAL 106 -8.643 -8.309 0.008 811 H ARG 107 H ARG 107 -8.444 -6.185 4.812 812 HA ARG 107 HA ARG 107 -8.384 -3.657 3.573 813 HB2 ARG 107 HB2 ARG 107 -9.121 -3.909 5.872 814 HB3 ARG 107 HB3 ARG 107 -7.526 -4.478 6.352 815 HG2 ARG 107 HG2 ARG 107 -6.626 -2.251 5.622 816 HG3 ARG 107 HG3 ARG 107 -8.297 -1.714 5.446 817 HD2 ARG 107 HD2 ARG 107 -7.106 -2.817 7.987 818 HD3 ARG 107 HD3 ARG 107 -7.255 -1.100 7.620 819 HE ARG 107 HE ARG 107 -9.728 -2.585 7.492 820 HH11 ARG 107 HH11 ARG 107 -7.553 -0.697 9.457 821 HH12 ARG 107 HH12 ARG 107 -8.757 -0.282 10.646 822 HH21 ARG 107 HH21 ARG 107 -11.342 -2.054 9.040 823 HH22 ARG 107 HH22 ARG 107 -10.923 -1.048 10.397 824 H GLU 108 H GLU 108 -5.725 -5.578 5.000 825 HA GLU 108 HA GLU 108 -3.875 -3.945 3.397 826 HB2 GLU 108 HB2 GLU 108 -3.536 -4.718 6.293 827 HB3 GLU 108 HB3 GLU 108 -2.230 -4.105 5.290 828 HG2 GLU 108 HG2 GLU 108 -3.408 -2.011 4.988 829 HG3 GLU 108 HG3 GLU 108 -4.774 -2.625 5.921 830 H GLU 109 H GLU 109 -4.576 -7.018 4.946 831 HA GLU 109 HA GLU 109 -2.170 -8.334 4.505 832 HB2 GLU 109 HB2 GLU 109 -3.945 -9.290 5.876 833 HB3 GLU 109 HB3 GLU 109 -4.969 -9.472 4.459 834 HG2 GLU 109 HG2 GLU 109 -3.459 -11.106 3.526 835 HG3 GLU 109 HG3 GLU 109 -2.334 -10.870 4.862 836 H LEU 110 H LEU 110 -4.989 -8.119 2.372 837 HA LEU 110 HA LEU 110 -3.885 -9.690 0.295 838 HB2 LEU 110 HB2 LEU 110 -6.299 -9.279 0.593 839 HB3 LEU 110 HB3 LEU 110 -6.062 -7.595 0.179 840 HG LEU 110 HG LEU 110 -7.006 -9.208 -1.605 841 HD11 LEU 110 HD11 LEU 110 -6.350 -6.904 -2.058 842 HD12 LEU 110 HD12 LEU 110 -4.676 -7.417 -2.273 843 HD13 LEU 110 HD13 LEU 110 -5.920 -7.968 -3.397 844 HD21 LEU 110 HD21 LEU 110 -4.065 -9.847 -1.846 845 HD22 LEU 110 HD22 LEU 110 -5.322 -10.965 -1.314 846 HD23 LEU 110 HD23 LEU 110 -5.335 -10.343 -2.965 847 H LEU 111 H LEU 111 -3.963 -6.194 0.885 848 HA LEU 111 HA LEU 111 -2.784 -5.470 -1.586 849 HB2 LEU 111 HB2 LEU 111 -2.954 -3.999 1.040 850 HB3 LEU 111 HB3 LEU 111 -2.335 -3.291 -0.439 851 HG LEU 111 HG LEU 111 -5.143 -4.325 -0.052 852 HD11 LEU 111 HD11 LEU 111 -5.784 -1.981 -0.099 853 HD12 LEU 111 HD12 LEU 111 -4.692 -2.313 1.248 854 HD13 LEU 111 HD13 LEU 111 -4.087 -1.509 -0.201 855 HD21 LEU 111 HD21 LEU 111 -4.315 -4.507 -2.369 856 HD22 LEU 111 HD22 LEU 111 -5.605 -3.316 -2.206 857 HD23 LEU 111 HD23 LEU 111 -3.929 -2.787 -2.349 858 H ARG 112 H ARG 112 -1.490 -6.516 1.461 859 HA ARG 112 HA ARG 112 1.236 -5.901 0.569 860 HB2 ARG 112 HB2 ARG 112 0.297 -7.012 3.221 861 HB3 ARG 112 HB3 ARG 112 1.928 -6.478 2.838 862 HG2 ARG 112 HG2 ARG 112 -0.540 -4.760 3.009 863 HG3 ARG 112 HG3 ARG 112 0.812 -4.793 4.143 864 HD2 ARG 112 HD2 ARG 112 1.017 -4.007 1.238 865 HD3 ARG 112 HD3 ARG 112 0.875 -2.869 2.577 866 HE ARG 112 HE ARG 112 3.019 -4.017 3.393 867 HH11 ARG 112 HH11 ARG 112 2.185 -3.624 0.012 868 HH12 ARG 112 HH12 ARG 112 3.831 -3.465 -0.516 869 HH21 ARG 112 HH21 ARG 112 5.188 -3.814 2.710 870 HH22 ARG 112 HH22 ARG 112 5.546 -3.605 1.014 871 H ALA 113 H ALA 113 -0.510 -7.900 -0.610 872 HA ALA 113 HA ALA 113 -0.261 -9.875 -1.666 873 HB1 ALA 113 HB1 ALA 113 2.348 -10.186 -0.204 874 HB2 ALA 113 HB2 ALA 113 1.798 -11.112 -1.601 875 HB3 ALA 113 HB3 ALA 113 2.137 -9.390 -1.764 876 H GLN 114 H GLN 114 -1.269 -11.701 -1.308 877 HA GLN 114 HA GLN 114 -1.918 -12.374 1.450 878 HB2 GLN 114 HB2 GLN 114 -3.666 -13.805 0.396 879 HB3 GLN 114 HB3 GLN 114 -3.783 -12.110 -0.057 880 HG2 GLN 114 HG2 GLN 114 -2.644 -12.600 -2.169 881 HG3 GLN 114 HG3 GLN 114 -2.570 -14.303 -1.725 882 HE21 GLN 114 HE21 GLN 114 -3.846 -12.972 -3.998 883 HE22 GLN 114 HE22 GLN 114 -5.512 -13.453 -3.940 884 H GLU 115 H GLU 115 0.636 -13.085 -0.051 885 HA GLU 115 HA GLU 115 0.564 -15.923 -0.380 886 HB2 GLU 115 HB2 GLU 115 2.805 -13.916 -0.416 887 HB3 GLU 115 HB3 GLU 115 3.065 -15.644 -0.619 888 HG2 GLU 115 HG2 GLU 115 1.782 -15.690 -2.609 889 HG3 GLU 115 HG3 GLU 115 1.209 -14.044 -2.352 890 H ALA 116 H ALA 116 -0.046 -16.799 1.515 891 HA ALA 116 HA ALA 116 2.006 -16.831 3.616 892 HB1 ALA 116 HB1 ALA 116 0.231 -17.036 5.304 893 HB2 ALA 116 HB2 ALA 116 0.122 -15.509 4.430 894 HB3 ALA 116 HB3 ALA 116 -0.987 -16.826 4.045 895 HA PRO 117 HA PRO 117 1.972 -21.113 2.371 896 HB2 PRO 117 HB2 PRO 117 3.401 -21.995 4.580 897 HB3 PRO 117 HB3 PRO 117 4.115 -21.366 3.093 898 HG2 PRO 117 HG2 PRO 117 3.607 -19.977 5.688 899 HG3 PRO 117 HG3 PRO 117 5.001 -19.849 4.599 900 HD2 PRO 117 HD2 PRO 117 3.113 -17.955 4.668 901 HD3 PRO 117 HD3 PRO 117 3.885 -18.431 3.139 902 H GLY 118 H GLY 118 0.214 -22.313 2.596 903 HA2 GLY 118 HA2 GLY 118 -1.013 -22.530 5.273 904 HA3 GLY 118 HA3 GLY 118 -1.887 -22.676 3.753 905 H GLN 119 H GLN 119 -0.443 -24.349 6.252 906 HA GLN 119 HA GLN 119 -0.905 -26.875 4.918 907 HB2 GLN 119 HB2 GLN 119 1.429 -26.429 4.341 908 HB3 GLN 119 HB3 GLN 119 1.813 -26.151 6.034 909 HG2 GLN 119 HG2 GLN 119 1.326 -28.460 6.556 910 HG3 GLN 119 HG3 GLN 119 0.844 -28.758 4.885 911 HE21 GLN 119 HE21 GLN 119 3.503 -28.133 7.038 912 HE22 GLN 119 HE22 GLN 119 4.760 -28.649 5.961 913 H ALA 120 H ALA 120 -1.952 -28.129 6.300 914 HA ALA 120 HA ALA 120 -1.497 -27.744 9.184 915 HB1 ALA 120 HB1 ALA 120 -3.847 -28.310 9.559 916 HB2 ALA 120 HB2 ALA 120 -3.690 -26.891 8.525 917 HB3 ALA 120 HB3 ALA 120 -4.093 -28.455 7.818 918 H1 GLN 1 HT1 GLN 1 -16.426 24.419 4.461 919 H2 GLN 1 HT2 GLN 1 -16.540 22.878 5.153 920 H3 GLN 1 HT3 GLN 1 -17.572 24.118 5.670 921 HA GLN 1 HA GLN 1 -18.706 22.552 4.225 922 HB2 GLN 1 HB2 GLN 1 -19.362 24.954 4.322 923 HB3 GLN 1 HB3 GLN 1 -18.292 25.276 2.959 924 HG2 GLN 1 HG2 GLN 1 -19.630 23.847 1.536 925 HG3 GLN 1 HG3 GLN 1 -20.675 23.436 2.894 926 HE21 GLN 1 HE21 GLN 1 -21.292 24.698 0.329 927 HE22 GLN 1 HE22 GLN 1 -22.050 26.211 0.720 928 H ASP 2 H ASP 2 -17.143 20.997 3.528 929 HA ASP 2 HA ASP 2 -16.136 19.735 1.935 930 HB2 ASP 2 HB2 ASP 2 -18.007 20.562 0.476 931 HB3 ASP 2 HB3 ASP 2 -16.941 21.851 -0.072 932 H THR 3 H THR 3 -14.098 19.531 0.920 933 HA THR 3 HA THR 3 -12.400 21.914 0.921 934 HB THR 3 HB THR 3 -11.587 19.422 2.422 935 HG1 THR 3 HG1 THR 3 -12.407 21.895 3.583 936 HG21 THR 3 HG21 THR 3 -9.830 20.855 3.333 937 HG22 THR 3 HG22 THR 3 -9.749 20.817 1.571 938 HG23 THR 3 HG23 THR 3 -10.439 22.218 2.392 939 H ARG 4 H ARG 4 -11.197 21.916 -0.881 940 HA ARG 4 HA ARG 4 -10.817 19.463 -2.379 941 HB2 ARG 4 HB2 ARG 4 -11.285 21.774 -3.390 942 HB3 ARG 4 HB3 ARG 4 -9.602 22.139 -3.035 943 HG2 ARG 4 HG2 ARG 4 -9.602 19.665 -4.361 944 HG3 ARG 4 HG3 ARG 4 -10.721 20.705 -5.243 945 HD2 ARG 4 HD2 ARG 4 -8.549 20.985 -6.192 946 HD3 ARG 4 HD3 ARG 4 -8.943 22.451 -5.295 947 HE ARG 4 HE ARG 4 -7.317 20.366 -4.013 948 HH11 ARG 4 HH11 ARG 4 -7.545 23.571 -5.406 949 HH12 ARG 4 HH12 ARG 4 -6.083 24.135 -4.672 950 HH21 ARG 4 HH21 ARG 4 -5.405 21.089 -3.032 951 HH22 ARG 4 HH22 ARG 4 -4.849 22.711 -3.326 952 H LEU 5 H LEU 5 -9.077 18.234 -2.362 953 HA LEU 5 HA LEU 5 -6.935 18.765 -0.528 954 HB2 LEU 5 HB2 LEU 5 -7.728 16.519 -2.327 955 HB3 LEU 5 HB3 LEU 5 -6.069 16.591 -1.780 956 HG LEU 5 HG LEU 5 -7.361 15.111 -0.363 957 HD11 LEU 5 HD11 LEU 5 -6.651 17.684 1.035 958 HD12 LEU 5 HD12 LEU 5 -6.870 16.116 1.811 959 HD13 LEU 5 HD13 LEU 5 -5.551 16.357 0.666 960 HD21 LEU 5 HD21 LEU 5 -9.571 16.062 -0.682 961 HD22 LEU 5 HD22 LEU 5 -9.187 15.966 1.037 962 HD23 LEU 5 HD23 LEU 5 -9.094 17.513 0.198 Start of MODEL 13 1 H1 GLY 4 HT1 GLY 4 -27.614 -11.918 -1.507 2 H2 GLY 4 HT2 GLY 4 -28.632 -10.659 -2.017 3 H3 GLY 4 HT3 GLY 4 -26.958 -10.542 -2.242 4 HA2 GLY 4 HA3 GLY 4 -28.729 -12.533 -3.546 5 HA3 GLY 4 HA2 GLY 4 -28.085 -11.086 -4.314 6 H ILE 5 H ILE 5 -27.285 -12.875 -5.815 7 HA ILE 5 HA ILE 5 -25.026 -14.380 -4.887 8 HB ILE 5 HB ILE 5 -26.389 -15.156 -6.779 9 HG12 ILE 5 HG12 ILE 5 -23.929 -15.774 -6.474 10 HG13 ILE 5 HG13 ILE 5 -24.656 -16.103 -8.038 11 HG21 ILE 5 HG21 ILE 5 -25.233 -12.825 -8.280 12 HG22 ILE 5 HG22 ILE 5 -26.139 -14.153 -9.008 13 HG23 ILE 5 HG23 ILE 5 -26.924 -13.076 -7.851 14 HD11 ILE 5 HD11 ILE 5 -22.421 -15.232 -8.299 15 HD12 ILE 5 HD12 ILE 5 -23.595 -14.083 -8.941 16 HD13 ILE 5 HD13 ILE 5 -22.845 -13.795 -7.370 17 H ASP 6 H ASP 6 -23.059 -13.682 -4.590 18 HA ASP 6 HA ASP 6 -22.372 -11.007 -5.613 19 HB2 ASP 6 HB2 ASP 6 -21.246 -12.380 -3.168 20 HB3 ASP 6 HB3 ASP 6 -20.960 -10.722 -3.674 21 HA PRO 7 HA PRO 7 -18.833 -12.985 -7.519 22 HB2 PRO 7 HB2 PRO 7 -17.668 -10.760 -8.470 23 HB3 PRO 7 HB3 PRO 7 -19.148 -11.400 -9.196 24 HG2 PRO 7 HG2 PRO 7 -18.798 -9.123 -7.296 25 HG3 PRO 7 HG3 PRO 7 -19.867 -9.255 -8.705 26 HD2 PRO 7 HD2 PRO 7 -20.664 -9.628 -6.091 27 HD3 PRO 7 HD3 PRO 7 -21.503 -10.305 -7.499 28 H PHE 8 H PHE 8 -16.486 -12.927 -7.173 29 HA PHE 8 HA PHE 8 -15.877 -12.347 -4.435 30 HB2 PHE 8 HB2 PHE 8 -14.891 -14.306 -5.537 31 HB3 PHE 8 HB3 PHE 8 -14.032 -13.249 -6.655 32 HD1 PHE 8 HD1 PHE 8 -14.487 -13.626 -2.963 33 HD2 PHE 8 HD2 PHE 8 -11.819 -12.844 -6.189 34 HE1 PHE 8 HE1 PHE 8 -12.615 -13.475 -1.374 35 HE2 PHE 8 HE2 PHE 8 -9.943 -12.694 -4.604 36 HZ PHE 8 HZ PHE 8 -10.340 -13.009 -2.195 37 H THR 9 H THR 9 -15.955 -10.214 -4.045 38 HA THR 9 HA THR 9 -14.410 -8.375 -5.669 39 HB THR 9 HB THR 9 -15.290 -6.657 -4.043 40 HG1 THR 9 HG1 THR 9 -17.257 -8.363 -3.125 41 HG21 THR 9 HG21 THR 9 -17.572 -6.695 -4.900 42 HG22 THR 9 HG22 THR 9 -16.425 -7.113 -6.173 43 HG23 THR 9 HG23 THR 9 -17.376 -8.378 -5.392 44 H MET 10 H MET 10 -14.425 -7.302 -2.541 45 HA MET 10 HA MET 10 -12.773 -6.818 -1.068 46 HB2 MET 10 HB2 MET 10 -12.575 -9.794 -1.385 47 HB3 MET 10 HB3 MET 10 -11.497 -8.932 -0.295 48 HG2 MET 10 HG2 MET 10 -13.565 -7.961 0.770 49 HG3 MET 10 HG3 MET 10 -14.484 -9.138 -0.167 50 HE1 MET 10 HE1 MET 10 -13.053 -12.529 1.208 51 HE2 MET 10 HE2 MET 10 -14.249 -11.790 0.142 52 HE3 MET 10 HE3 MET 10 -12.529 -11.619 -0.209 53 H LEU 11 H LEU 11 -11.800 -5.641 -2.952 54 HA LEU 11 HA LEU 11 -9.013 -6.346 -3.124 55 HB2 LEU 11 HB2 LEU 11 -8.872 -6.410 -5.511 56 HB3 LEU 11 HB3 LEU 11 -10.044 -7.592 -4.981 57 HG LEU 11 HG LEU 11 -10.527 -5.010 -6.455 58 HD11 LEU 11 HD11 LEU 11 -9.996 -6.984 -7.764 59 HD12 LEU 11 HD12 LEU 11 -11.308 -7.870 -6.982 60 HD13 LEU 11 HD13 LEU 11 -11.671 -6.490 -8.018 61 HD21 LEU 11 HD21 LEU 11 -12.159 -5.211 -4.567 62 HD22 LEU 11 HD22 LEU 11 -12.889 -5.235 -6.180 63 HD23 LEU 11 HD23 LEU 11 -12.697 -6.737 -5.274 64 HA PRO 12 HA PRO 12 -10.258 -1.761 -2.781 65 HB2 PRO 12 HB2 PRO 12 -8.226 -2.075 -0.626 66 HB3 PRO 12 HB3 PRO 12 -9.727 -1.140 -0.634 67 HG2 PRO 12 HG2 PRO 12 -9.601 -3.432 0.692 68 HG3 PRO 12 HG3 PRO 12 -11.050 -3.013 -0.241 69 HD2 PRO 12 HD2 PRO 12 -8.836 -4.904 -0.932 70 HD3 PRO 12 HD3 PRO 12 -10.585 -5.069 -1.205 71 H ARG 13 H ARG 13 -9.054 -0.103 -3.543 72 HA ARG 13 HA ARG 13 -6.476 -0.842 -4.721 73 HB2 ARG 13 HB2 ARG 13 -7.038 1.329 -6.096 74 HB3 ARG 13 HB3 ARG 13 -7.797 -0.207 -6.499 75 HG2 ARG 13 HG2 ARG 13 -9.746 0.463 -5.111 76 HG3 ARG 13 HG3 ARG 13 -8.992 2.044 -4.902 77 HD2 ARG 13 HD2 ARG 13 -9.303 2.632 -7.113 78 HD3 ARG 13 HD3 ARG 13 -9.410 0.953 -7.650 79 HE ARG 13 HE ARG 13 -11.640 0.864 -6.863 80 HH11 ARG 13 HH11 ARG 13 -10.227 4.065 -6.739 81 HH12 ARG 13 HH12 ARG 13 -11.750 4.865 -6.459 82 HH21 ARG 13 HH21 ARG 13 -13.651 1.917 -6.514 83 HH22 ARG 13 HH22 ARG 13 -13.682 3.656 -6.325 84 H LEU 14 H LEU 14 -4.667 0.224 -4.247 85 HA LEU 14 HA LEU 14 -4.839 2.309 -2.200 86 HB2 LEU 14 HB2 LEU 14 -3.369 0.316 -1.844 87 HB3 LEU 14 HB3 LEU 14 -2.403 0.838 -3.212 88 HG LEU 14 HG LEU 14 -1.893 2.948 -1.994 89 HD11 LEU 14 HD11 LEU 14 -3.831 3.038 -0.543 90 HD12 LEU 14 HD12 LEU 14 -3.313 1.564 0.273 91 HD13 LEU 14 HD13 LEU 14 -2.353 3.033 0.417 92 HD21 LEU 14 HD21 LEU 14 -0.337 1.927 -0.396 93 HD22 LEU 14 HD22 LEU 14 -1.179 0.388 -0.573 94 HD23 LEU 14 HD23 LEU 14 -0.328 1.089 -1.948 95 H CYS 15 H CYS 15 -4.580 4.367 -2.743 96 HA CYS 15 HA CYS 15 -3.533 4.936 -5.431 97 HB2 CYS 15 HB2 CYS 15 -5.406 6.560 -3.699 98 HB3 CYS 15 HB3 CYS 15 -4.853 7.010 -5.311 99 HG CYS 15 HG CYS 15 -5.990 4.507 -6.350 100 H CYS 16 H CYS 16 -1.460 5.487 -5.294 101 HA CYS 16 HA CYS 16 -0.458 7.041 -3.071 102 HB2 CYS 16 HB2 CYS 16 1.664 6.977 -4.607 103 HB3 CYS 16 HB3 CYS 16 1.141 5.506 -3.794 104 HG CYS 16 HG CYS 16 0.887 4.073 -5.907 105 H LEU 17 H LEU 17 -0.998 9.121 -3.032 106 HA LEU 17 HA LEU 17 -1.452 10.524 -5.547 107 HB2 LEU 17 HB2 LEU 17 -2.382 10.846 -2.772 108 HB3 LEU 17 HB3 LEU 17 -2.051 12.346 -3.621 109 HG LEU 17 HG LEU 17 -4.384 11.793 -3.837 110 HD11 LEU 17 HD11 LEU 17 -3.144 12.816 -5.748 111 HD12 LEU 17 HD12 LEU 17 -3.035 11.205 -6.458 112 HD13 LEU 17 HD13 LEU 17 -4.612 11.947 -6.195 113 HD21 LEU 17 HD21 LEU 17 -3.444 9.187 -5.028 114 HD22 LEU 17 HD22 LEU 17 -4.295 9.398 -3.498 115 HD23 LEU 17 HD23 LEU 17 -5.112 9.758 -5.018 116 H GLU 18 H GLU 18 -0.115 11.935 -6.382 117 HA GLU 18 HA GLU 18 2.188 12.836 -4.826 118 HB2 GLU 18 HB2 GLU 18 2.742 11.903 -6.977 119 HB3 GLU 18 HB3 GLU 18 1.565 12.933 -7.782 120 HG2 GLU 18 HG2 GLU 18 2.907 14.902 -7.093 121 HG3 GLU 18 HG3 GLU 18 4.118 13.798 -6.446 122 H LYS 19 H LYS 19 2.370 14.854 -4.104 123 HA LYS 19 HA LYS 19 0.338 16.811 -4.514 124 HB2 LYS 19 HB2 LYS 19 1.560 16.875 -2.445 125 HB3 LYS 19 HB3 LYS 19 3.097 16.976 -3.289 126 HG2 LYS 19 HG2 LYS 19 2.506 19.122 -2.344 127 HG3 LYS 19 HG3 LYS 19 2.503 19.204 -4.105 128 HD2 LYS 19 HD2 LYS 19 0.592 20.400 -3.267 129 HD3 LYS 19 HD3 LYS 19 0.035 18.929 -4.063 130 HE2 LYS 19 HE2 LYS 19 -0.294 17.845 -1.950 131 HE3 LYS 19 HE3 LYS 19 0.443 19.192 -1.090 132 HZ1 LYS 19 HZ1 LYS 19 -1.889 19.418 -0.868 133 HZ2 LYS 19 HZ2 LYS 19 -1.408 20.592 -1.989 134 HZ3 LYS 19 HZ3 LYS 19 -2.156 19.169 -2.519 135 H GLY 20 H GLY 20 0.050 17.564 -6.471 136 HA2 GLY 20 HA2 GLY 20 2.267 17.976 -8.291 137 HA3 GLY 20 HA3 GLY 20 0.566 18.259 -8.635 138 HA PRO 21 HA PRO 21 2.182 22.488 -8.704 139 HB2 PRO 21 HB2 PRO 21 -0.668 22.994 -9.365 140 HB3 PRO 21 HB3 PRO 21 0.793 23.521 -10.204 141 HG2 PRO 21 HG2 PRO 21 -0.735 21.573 -11.198 142 HG3 PRO 21 HG3 PRO 21 1.033 21.517 -11.330 143 HD2 PRO 21 HD2 PRO 21 -0.786 20.027 -9.489 144 HD3 PRO 21 HD3 PRO 21 0.698 19.482 -10.299 145 H ASN 22 H ASN 22 -1.123 21.857 -7.496 146 HA ASN 22 HA ASN 22 -0.427 23.003 -4.934 147 HB2 ASN 22 HB2 ASN 22 -2.355 24.637 -5.026 148 HB3 ASN 22 HB3 ASN 22 -0.963 25.045 -6.011 149 HD21 ASN 22 HD21 ASN 22 -3.580 22.762 -6.756 150 HD22 ASN 22 HD22 ASN 22 -4.127 23.616 -8.154 151 H GLY 23 H GLY 23 -1.041 20.417 -5.416 152 HA2 GLY 23 HA2 GLY 23 -2.808 19.663 -3.574 153 HA3 GLY 23 HA3 GLY 23 -3.876 20.042 -4.916 154 H TYR 24 H TYR 24 -4.193 17.666 -4.157 155 HA TYR 24 HA TYR 24 -2.507 15.845 -5.725 156 HB2 TYR 24 HB2 TYR 24 -4.765 15.235 -3.797 157 HB3 TYR 24 HB3 TYR 24 -3.693 14.055 -4.545 158 HD1 TYR 24 HD2 TYR 24 -1.071 14.913 -4.208 159 HD2 TYR 24 HD1 TYR 24 -4.332 15.532 -1.560 160 HE1 TYR 24 HE2 TYR 24 0.503 15.159 -2.350 161 HE2 TYR 24 HE1 TYR 24 -2.769 15.774 0.321 162 HH TYR 24 HH TYR 24 -0.497 15.105 0.918 163 H GLY 25 H GLY 25 -5.575 17.420 -5.606 164 HA2 GLY 25 HA2 GLY 25 -6.501 18.017 -7.729 165 HA3 GLY 25 HA3 GLY 25 -5.940 16.486 -8.371 166 H PHE 26 H PHE 26 -7.585 16.480 -5.286 167 HA PHE 26 HA PHE 26 -10.124 16.096 -6.669 168 HB2 PHE 26 HB2 PHE 26 -10.721 14.171 -5.204 169 HB3 PHE 26 HB3 PHE 26 -9.431 13.820 -6.350 170 HD1 PHE 26 HD2 PHE 26 -7.047 13.800 -5.501 171 HD2 PHE 26 HD1 PHE 26 -10.426 13.839 -2.908 172 HE1 PHE 26 HE2 PHE 26 -5.646 12.956 -3.665 173 HE2 PHE 26 HE1 PHE 26 -9.025 12.995 -1.070 174 HZ PHE 26 HZ PHE 26 -6.632 12.548 -1.452 175 H HIS 27 H HIS 27 -11.971 16.431 -5.376 176 HA HIS 27 HA HIS 27 -11.396 18.133 -3.044 177 HB2 HIS 27 HB2 HIS 27 -13.805 18.151 -4.885 178 HB3 HIS 27 HB3 HIS 27 -13.570 19.216 -3.505 179 HD1 HIS 27 HD1 HIS 27 -12.699 21.452 -4.118 180 HD2 HIS 27 HD2 HIS 27 -11.543 18.544 -6.860 181 HE1 HIS 27 HE1 HIS 27 -11.416 22.673 -5.908 182 HE2 HIS 27 HE2 HIS 27 -10.580 20.872 -7.470 183 H LEU 28 H LEU 28 -11.967 17.315 -1.132 184 HA LEU 28 HA LEU 28 -13.661 14.926 -1.164 185 HB2 LEU 28 HB2 LEU 28 -11.455 14.730 -0.079 186 HB3 LEU 28 HB3 LEU 28 -11.902 16.001 1.044 187 HG LEU 28 HG LEU 28 -13.953 14.138 1.282 188 HD11 LEU 28 HD11 LEU 28 -12.726 12.467 0.079 189 HD12 LEU 28 HD12 LEU 28 -11.297 12.740 1.075 190 HD13 LEU 28 HD13 LEU 28 -12.750 12.043 1.790 191 HD21 LEU 28 HD21 LEU 28 -11.500 14.549 2.981 192 HD22 LEU 28 HD22 LEU 28 -13.016 15.449 3.080 193 HD23 LEU 28 HD23 LEU 28 -12.979 13.735 3.495 194 H HIS 29 H HIS 29 -15.509 14.776 -0.085 195 HA HIS 29 HA HIS 29 -16.571 17.257 1.063 196 HB2 HIS 29 HB2 HIS 29 -17.797 16.417 -0.881 197 HB3 HIS 29 HB3 HIS 29 -17.944 14.834 -0.131 198 HD1 HIS 29 HD1 HIS 29 -19.458 18.221 -0.178 199 HD2 HIS 29 HD2 HIS 29 -19.821 14.678 1.957 200 HE1 HIS 29 HE1 HIS 29 -21.640 18.405 1.072 201 HE2 HIS 29 HE2 HIS 29 -21.713 16.355 2.539 202 H GLY 30 H GLY 30 -16.683 17.275 3.205 203 HA2 GLY 30 HA2 GLY 30 -16.968 14.665 4.570 204 HA3 GLY 30 HA3 GLY 30 -16.016 15.995 5.217 205 H GLU 31 H GLU 31 -18.689 14.399 5.789 206 HA GLU 31 HA GLU 31 -20.514 16.597 6.193 207 HB2 GLU 31 HB2 GLU 31 -20.666 13.745 7.202 208 HB3 GLU 31 HB3 GLU 31 -21.983 14.914 7.189 209 HG2 GLU 31 HG2 GLU 31 -21.762 14.998 4.695 210 HG3 GLU 31 HG3 GLU 31 -20.630 13.654 4.816 211 H LYS 32 H LYS 32 -20.958 17.591 8.134 212 HA LYS 32 HA LYS 32 -18.592 17.794 9.721 213 HB2 LYS 32 HB2 LYS 32 -21.206 19.276 9.978 214 HB3 LYS 32 HB3 LYS 32 -19.686 19.713 10.754 215 HG2 LYS 32 HG2 LYS 32 -20.301 19.716 7.804 216 HG3 LYS 32 HG3 LYS 32 -19.946 21.106 8.836 217 HD2 LYS 32 HD2 LYS 32 -17.679 20.454 9.090 218 HD3 LYS 32 HD3 LYS 32 -17.985 18.860 8.397 219 HE2 LYS 32 HE2 LYS 32 -16.881 20.144 6.733 220 HE3 LYS 32 HE3 LYS 32 -18.571 20.016 6.250 221 HZ1 LYS 32 HZ1 LYS 32 -17.812 22.243 5.919 222 HZ2 LYS 32 HZ2 LYS 32 -18.925 22.245 7.199 223 HZ3 LYS 32 HZ3 LYS 32 -17.266 22.360 7.522 224 H GLY 33 H GLY 33 -18.639 15.695 10.580 225 HA2 GLY 33 HA2 GLY 33 -19.445 15.768 13.320 226 HA3 GLY 33 HA3 GLY 33 -20.334 14.556 12.399 227 H LYS 34 H LYS 34 -19.370 12.649 11.947 228 HA LYS 34 HA LYS 34 -16.435 12.495 12.067 229 HB2 LYS 34 HB2 LYS 34 -18.352 10.472 13.251 230 HB3 LYS 34 HB3 LYS 34 -16.622 10.234 13.087 231 HG2 LYS 34 HG2 LYS 34 -17.962 12.325 14.781 232 HG3 LYS 34 HG3 LYS 34 -17.236 10.827 15.358 233 HD2 LYS 34 HD2 LYS 34 -15.061 11.611 14.402 234 HD3 LYS 34 HD3 LYS 34 -15.836 13.159 14.062 235 HE2 LYS 34 HE2 LYS 34 -15.368 11.878 16.746 236 HE3 LYS 34 HE3 LYS 34 -14.681 13.381 16.132 237 HZ1 LYS 34 HZ1 LYS 34 -17.519 12.880 16.855 238 HZ2 LYS 34 HZ2 LYS 34 -16.429 13.915 17.639 239 HZ3 LYS 34 HZ3 LYS 34 -16.977 14.289 16.082 240 H LEU 35 H LEU 35 -19.330 10.586 11.301 241 HA LEU 35 HA LEU 35 -17.901 9.176 9.218 242 HB2 LEU 35 HB2 LEU 35 -20.803 8.972 10.008 243 HB3 LEU 35 HB3 LEU 35 -19.912 7.845 9.008 244 HG LEU 35 HG LEU 35 -19.485 8.346 11.952 245 HD11 LEU 35 HD11 LEU 35 -21.488 7.041 11.423 246 HD12 LEU 35 HD12 LEU 35 -20.508 5.930 10.468 247 HD13 LEU 35 HD13 LEU 35 -20.257 6.053 12.210 248 HD21 LEU 35 HD21 LEU 35 -18.053 6.469 10.081 249 HD22 LEU 35 HD22 LEU 35 -17.368 7.907 10.839 250 HD23 LEU 35 HD23 LEU 35 -17.854 6.531 11.831 251 H GLY 36 H GLY 36 -17.771 9.912 7.225 252 HA2 GLY 36 HA2 GLY 36 -19.563 10.245 5.362 253 HA3 GLY 36 HA3 GLY 36 -19.837 11.739 6.242 254 H GLN 37 H GLN 37 -16.993 9.921 5.049 255 HA GLN 37 HA GLN 37 -16.052 12.454 3.869 256 HB2 GLN 37 HB2 GLN 37 -14.323 10.044 4.436 257 HB3 GLN 37 HB3 GLN 37 -13.803 11.679 4.063 258 HG2 GLN 37 HG2 GLN 37 -15.121 10.742 6.600 259 HG3 GLN 37 HG3 GLN 37 -13.434 11.194 6.387 260 HE21 GLN 37 HE21 GLN 37 -15.466 12.234 8.199 261 HE22 GLN 37 HE22 GLN 37 -15.569 13.927 7.884 262 H TYR 38 H TYR 38 -16.360 12.526 1.740 263 HA TYR 38 HA TYR 38 -16.003 10.076 0.149 264 HB2 TYR 38 HB2 TYR 38 -18.374 11.946 0.045 265 HB3 TYR 38 HB3 TYR 38 -18.002 10.789 -1.224 266 HD1 TYR 38 HD1 TYR 38 -18.259 8.382 -0.826 267 HD2 TYR 38 HD2 TYR 38 -19.332 11.236 2.147 268 HE1 TYR 38 HE1 TYR 38 -19.552 6.658 0.356 269 HE2 TYR 38 HE2 TYR 38 -20.627 9.515 3.337 270 HH TYR 38 HH TYR 38 -21.746 7.388 2.853 271 H ILE 39 H ILE 39 -15.340 10.412 -1.976 272 HA ILE 39 HA ILE 39 -14.047 12.934 -2.507 273 HB ILE 39 HB ILE 39 -14.472 10.635 -4.429 274 HG12 ILE 39 HG12 ILE 39 -13.314 9.855 -2.404 275 HG13 ILE 39 HG13 ILE 39 -12.230 9.871 -3.788 276 HG21 ILE 39 HG21 ILE 39 -12.562 11.570 -5.612 277 HG22 ILE 39 HG22 ILE 39 -13.847 12.770 -5.460 278 HG23 ILE 39 HG23 ILE 39 -12.432 12.858 -4.413 279 HD11 ILE 39 HD11 ILE 39 -11.148 10.678 -1.763 280 HD12 ILE 39 HD12 ILE 39 -11.229 11.935 -2.998 281 HD13 ILE 39 HD13 ILE 39 -12.347 11.964 -1.634 282 H ARG 40 H ARG 40 -15.086 14.650 -3.272 283 HA ARG 40 HA ARG 40 -17.817 14.314 -4.200 284 HB2 ARG 40 HB2 ARG 40 -17.310 16.057 -2.560 285 HB3 ARG 40 HB3 ARG 40 -16.200 16.814 -3.691 286 HG2 ARG 40 HG2 ARG 40 -18.284 18.031 -3.616 287 HG3 ARG 40 HG3 ARG 40 -18.074 17.293 -5.203 288 HD2 ARG 40 HD2 ARG 40 -19.670 15.957 -3.037 289 HD3 ARG 40 HD3 ARG 40 -20.389 17.162 -4.105 290 HE ARG 40 HE ARG 40 -19.153 15.313 -5.747 291 HH11 ARG 40 HH11 ARG 40 -21.705 15.277 -3.346 292 HH12 ARG 40 HH12 ARG 40 -22.582 13.990 -4.115 293 HH21 ARG 40 HH21 ARG 40 -20.286 13.616 -6.745 294 HH22 ARG 40 HH22 ARG 40 -21.765 13.027 -6.054 295 H LEU 41 H LEU 41 -14.754 15.566 -5.431 296 HA LEU 41 HA LEU 41 -15.614 15.040 -8.131 297 HB2 LEU 41 HB2 LEU 41 -16.564 17.281 -7.699 298 HB3 LEU 41 HB3 LEU 41 -14.965 17.866 -7.281 299 HG LEU 41 HG LEU 41 -14.221 17.382 -9.605 300 HD11 LEU 41 HD11 LEU 41 -15.950 17.000 -11.315 301 HD12 LEU 41 HD12 LEU 41 -15.797 15.650 -10.191 302 HD13 LEU 41 HD13 LEU 41 -17.142 16.781 -10.033 303 HD21 LEU 41 HD21 LEU 41 -14.907 19.622 -8.976 304 HD22 LEU 41 HD22 LEU 41 -15.414 19.272 -10.628 305 HD23 LEU 41 HD23 LEU 41 -16.590 19.223 -9.315 306 H VAL 42 H VAL 42 -13.921 14.460 -9.334 307 HA VAL 42 HA VAL 42 -11.227 14.927 -8.295 308 HB VAL 42 HB VAL 42 -12.242 13.042 -10.438 309 HG11 VAL 42 HG11 VAL 42 -10.030 13.893 -11.066 310 HG12 VAL 42 HG12 VAL 42 -9.406 13.437 -9.479 311 HG13 VAL 42 HG13 VAL 42 -9.958 12.193 -10.601 312 HG21 VAL 42 HG21 VAL 42 -11.031 12.571 -7.719 313 HG22 VAL 42 HG22 VAL 42 -12.714 12.314 -8.179 314 HG23 VAL 42 HG23 VAL 42 -11.442 11.310 -8.880 315 H GLU 43 H GLU 43 -9.723 16.073 -9.427 316 HA GLU 43 HA GLU 43 -10.846 18.004 -11.267 317 HB2 GLU 43 HB2 GLU 43 -9.087 18.227 -9.246 318 HB3 GLU 43 HB3 GLU 43 -7.954 17.989 -10.567 319 HG2 GLU 43 HG2 GLU 43 -8.467 19.978 -11.557 320 HG3 GLU 43 HG3 GLU 43 -10.099 20.020 -10.883 321 HA PRO 44 HA PRO 44 -9.835 15.869 -14.944 322 HB2 PRO 44 HB2 PRO 44 -9.291 18.024 -16.574 323 HB3 PRO 44 HB3 PRO 44 -10.913 17.452 -16.172 324 HG2 PRO 44 HG2 PRO 44 -9.329 19.673 -14.939 325 HG3 PRO 44 HG3 PRO 44 -11.042 19.641 -15.390 326 HD2 PRO 44 HD2 PRO 44 -10.312 19.330 -12.855 327 HD3 PRO 44 HD3 PRO 44 -11.633 18.356 -13.536 328 H GLY 45 H GLY 45 -7.569 18.133 -13.606 329 HA2 GLY 45 HA2 GLY 45 -5.401 16.741 -15.055 330 HA3 GLY 45 HA3 GLY 45 -5.315 18.431 -14.564 331 H SER 46 H SER 46 -6.031 15.280 -13.010 332 HA SER 46 HA SER 46 -4.327 16.178 -10.783 333 HB2 SER 46 HB2 SER 46 -5.827 14.896 -9.304 334 HB3 SER 46 HB3 SER 46 -6.692 16.166 -10.171 335 HG SER 46 HG SER 46 -7.750 14.706 -11.315 336 HA PRO 47 HA PRO 47 -2.230 12.182 -11.016 337 HB2 PRO 47 HB2 PRO 47 -1.801 12.533 -8.133 338 HB3 PRO 47 HB3 PRO 47 -0.612 12.393 -9.430 339 HG2 PRO 47 HG2 PRO 47 -1.075 14.704 -8.111 340 HG3 PRO 47 HG3 PRO 47 -0.573 14.654 -9.812 341 HD2 PRO 47 HD2 PRO 47 -3.278 15.138 -8.642 342 HD3 PRO 47 HD3 PRO 47 -2.519 15.869 -10.070 343 H ALA 48 H ALA 48 -4.916 13.135 -9.147 344 HA ALA 48 HA ALA 48 -5.346 10.910 -7.513 345 HB1 ALA 48 HB1 ALA 48 -7.639 11.690 -7.325 346 HB2 ALA 48 HB2 ALA 48 -6.513 13.044 -7.238 347 HB3 ALA 48 HB3 ALA 48 -7.411 12.739 -8.724 348 H GLU 49 H GLU 49 -6.743 11.618 -10.744 349 HA GLU 49 HA GLU 49 -8.055 9.102 -10.863 350 HB2 GLU 49 HB2 GLU 49 -8.285 9.584 -13.315 351 HB3 GLU 49 HB3 GLU 49 -8.944 10.807 -12.241 352 HG2 GLU 49 HG2 GLU 49 -7.083 12.252 -12.649 353 HG3 GLU 49 HG3 GLU 49 -6.252 10.996 -13.569 354 H LYS 50 H LYS 50 -4.852 10.165 -11.710 355 HA LYS 50 HA LYS 50 -4.109 7.870 -13.211 356 HB2 LYS 50 HB2 LYS 50 -2.363 9.759 -11.615 357 HB3 LYS 50 HB3 LYS 50 -1.790 8.594 -12.802 358 HG2 LYS 50 HG2 LYS 50 -3.179 9.788 -14.508 359 HG3 LYS 50 HG3 LYS 50 -3.478 11.030 -13.293 360 HD2 LYS 50 HD2 LYS 50 -0.768 10.187 -14.312 361 HD3 LYS 50 HD3 LYS 50 -1.639 11.639 -14.805 362 HE2 LYS 50 HE2 LYS 50 -1.598 12.387 -12.429 363 HE3 LYS 50 HE3 LYS 50 -0.590 10.989 -12.055 364 HZ1 LYS 50 HZ1 LYS 50 1.072 11.821 -13.604 365 HZ2 LYS 50 HZ2 LYS 50 0.099 13.165 -13.955 366 HZ3 LYS 50 HZ3 LYS 50 0.744 12.969 -12.397 367 H ALA 51 H ALA 51 -4.120 8.665 -9.793 368 HA ALA 51 HA ALA 51 -2.701 6.327 -8.958 369 HB1 ALA 51 HB1 ALA 51 -4.482 8.163 -7.350 370 HB2 ALA 51 HB2 ALA 51 -3.326 6.997 -6.706 371 HB3 ALA 51 HB3 ALA 51 -2.752 8.393 -7.620 372 H GLY 52 H GLY 52 -5.912 6.961 -9.924 373 HA2 GLY 52 HA2 GLY 52 -7.381 5.142 -10.439 374 HA3 GLY 52 HA3 GLY 52 -6.666 4.237 -9.113 375 H LEU 53 H LEU 53 -7.309 7.493 -8.402 376 HA LEU 53 HA LEU 53 -9.502 6.724 -6.654 377 HB2 LEU 53 HB2 LEU 53 -7.571 8.117 -5.881 378 HB3 LEU 53 HB3 LEU 53 -8.103 9.384 -6.963 379 HG LEU 53 HG LEU 53 -10.041 8.391 -4.929 380 HD11 LEU 53 HD11 LEU 53 -7.756 10.265 -4.323 381 HD12 LEU 53 HD12 LEU 53 -9.099 9.878 -3.246 382 HD13 LEU 53 HD13 LEU 53 -7.940 8.627 -3.695 383 HD21 LEU 53 HD21 LEU 53 -9.372 11.116 -6.043 384 HD22 LEU 53 HD22 LEU 53 -10.704 10.084 -6.563 385 HD23 LEU 53 HD23 LEU 53 -10.691 10.751 -4.929 386 H LEU 54 H LEU 54 -11.597 7.204 -7.029 387 HA LEU 54 HA LEU 54 -12.165 8.552 -9.585 388 HB2 LEU 54 HB2 LEU 54 -13.791 6.529 -8.046 389 HB3 LEU 54 HB3 LEU 54 -14.276 7.271 -9.558 390 HG LEU 54 HG LEU 54 -11.869 5.486 -9.193 391 HD11 LEU 54 HD11 LEU 54 -13.150 3.852 -10.472 392 HD12 LEU 54 HD12 LEU 54 -13.964 4.266 -8.964 393 HD13 LEU 54 HD13 LEU 54 -14.534 4.944 -10.488 394 HD21 LEU 54 HD21 LEU 54 -13.085 6.729 -11.656 395 HD22 LEU 54 HD22 LEU 54 -11.516 7.112 -10.949 396 HD23 LEU 54 HD23 LEU 54 -11.799 5.520 -11.655 397 H ALA 55 H ALA 55 -14.151 9.765 -9.745 398 HA ALA 55 HA ALA 55 -14.403 11.576 -7.510 399 HB1 ALA 55 HB1 ALA 55 -14.320 12.439 -9.788 400 HB2 ALA 55 HB2 ALA 55 -15.802 11.567 -10.182 401 HB3 ALA 55 HB3 ALA 55 -15.839 12.877 -9.004 402 H GLY 56 H GLY 56 -15.244 9.296 -6.513 403 HA2 GLY 56 HA2 GLY 56 -17.760 9.888 -5.469 404 HA3 GLY 56 HA3 GLY 56 -18.008 8.739 -6.778 405 H ASP 57 H ASP 57 -15.115 8.714 -4.833 406 HA ASP 57 HA ASP 57 -15.877 6.070 -3.821 407 HB2 ASP 57 HB2 ASP 57 -13.185 7.439 -4.013 408 HB3 ASP 57 HB3 ASP 57 -13.439 5.894 -3.211 409 H ARG 58 H ARG 58 -15.244 5.520 -1.610 410 HA ARG 58 HA ARG 58 -15.376 7.849 0.180 411 HB2 ARG 58 HB2 ARG 58 -16.037 6.184 1.944 412 HB3 ARG 58 HB3 ARG 58 -17.204 6.387 0.648 413 HG2 ARG 58 HG2 ARG 58 -16.442 4.325 -0.382 414 HG3 ARG 58 HG3 ARG 58 -15.226 4.133 0.883 415 HD2 ARG 58 HD2 ARG 58 -18.178 4.316 1.432 416 HD3 ARG 58 HD3 ARG 58 -17.334 2.789 1.177 417 HE ARG 58 HE ARG 58 -15.899 3.949 3.148 418 HH11 ARG 58 HH11 ARG 58 -19.335 3.466 2.744 419 HH12 ARG 58 HH12 ARG 58 -19.611 3.110 4.415 420 HH21 ARG 58 HH21 ARG 58 -16.260 3.548 5.388 421 HH22 ARG 58 HH22 ARG 58 -17.870 3.171 5.919 422 H LEU 59 H LEU 59 -13.702 8.320 1.431 423 HA LEU 59 HA LEU 59 -11.281 6.757 1.144 424 HB2 LEU 59 HB2 LEU 59 -11.224 9.218 1.020 425 HB3 LEU 59 HB3 LEU 59 -11.819 9.311 2.665 426 HG LEU 59 HG LEU 59 -9.742 8.150 3.426 427 HD11 LEU 59 HD11 LEU 59 -9.161 7.038 1.337 428 HD12 LEU 59 HD12 LEU 59 -8.871 8.601 0.575 429 HD13 LEU 59 HD13 LEU 59 -7.839 8.061 1.898 430 HD21 LEU 59 HD21 LEU 59 -9.966 10.562 3.570 431 HD22 LEU 59 HD22 LEU 59 -8.306 10.113 3.175 432 HD23 LEU 59 HD23 LEU 59 -9.376 10.731 1.917 433 H VAL 60 H VAL 60 -10.987 5.045 2.437 434 HA VAL 60 HA VAL 60 -12.369 4.987 4.992 435 HB VAL 60 HB VAL 60 -11.548 2.616 5.120 436 HG11 VAL 60 HG11 VAL 60 -13.779 3.153 4.329 437 HG12 VAL 60 HG12 VAL 60 -13.160 3.403 2.694 438 HG13 VAL 60 HG13 VAL 60 -13.118 1.795 3.418 439 HG21 VAL 60 HG21 VAL 60 -9.599 2.872 3.645 440 HG22 VAL 60 HG22 VAL 60 -10.668 1.578 3.110 441 HG23 VAL 60 HG23 VAL 60 -10.680 3.133 2.276 442 H GLU 61 H GLU 61 -9.037 4.929 3.760 443 HA GLU 61 HA GLU 61 -8.137 5.867 6.332 444 HB2 GLU 61 HB2 GLU 61 -6.424 4.082 6.577 445 HB3 GLU 61 HB3 GLU 61 -8.077 3.533 6.799 446 HG2 GLU 61 HG2 GLU 61 -8.023 2.696 4.449 447 HG3 GLU 61 HG3 GLU 61 -6.305 3.087 4.415 448 H VAL 62 H VAL 62 -5.997 6.637 6.372 449 HA VAL 62 HA VAL 62 -4.737 7.005 3.741 450 HB VAL 62 HB VAL 62 -5.805 9.119 4.283 451 HG11 VAL 62 HG11 VAL 62 -4.303 8.997 6.888 452 HG12 VAL 62 HG12 VAL 62 -5.244 10.372 6.308 453 HG13 VAL 62 HG13 VAL 62 -6.047 8.846 6.674 454 HG21 VAL 62 HG21 VAL 62 -2.835 9.241 4.787 455 HG22 VAL 62 HG22 VAL 62 -3.641 9.306 3.218 456 HG23 VAL 62 HG23 VAL 62 -3.852 10.623 4.375 457 H ASN 63 H ASN 63 -2.619 6.614 3.684 458 HA ASN 63 HA ASN 63 -0.493 6.119 4.275 459 HB2 ASN 63 HB2 ASN 63 -1.334 7.306 6.905 460 HB3 ASN 63 HB3 ASN 63 0.247 6.557 6.699 461 HD21 ASN 63 HD21 ASN 63 1.690 7.455 5.161 462 HD22 ASN 63 HD22 ASN 63 1.565 9.126 4.723 463 H GLY 64 H GLY 64 -2.958 4.991 6.530 464 HA2 GLY 64 HA2 GLY 64 -2.712 2.338 6.178 465 HA3 GLY 64 HA3 GLY 64 -1.371 2.679 7.256 466 H GLU 65 H GLU 65 -3.613 4.902 8.138 467 HA GLU 65 HA GLU 65 -4.984 3.015 9.923 468 HB2 GLU 65 HB2 GLU 65 -5.068 4.816 11.610 469 HB3 GLU 65 HB3 GLU 65 -3.430 4.327 11.208 470 HG2 GLU 65 HG2 GLU 65 -3.308 6.306 9.682 471 HG3 GLU 65 HG3 GLU 65 -4.864 6.822 10.342 472 H ASN 66 H ASN 66 -7.116 3.202 10.209 473 HA ASN 66 HA ASN 66 -8.651 4.218 8.098 474 HB2 ASN 66 HB2 ASN 66 -9.295 2.275 9.441 475 HB3 ASN 66 HB3 ASN 66 -9.503 3.305 10.851 476 HD21 ASN 66 HD21 ASN 66 -11.284 4.653 10.978 477 HD22 ASN 66 HD22 ASN 66 -12.660 4.452 9.942 478 H VAL 67 H VAL 67 -9.651 6.117 7.762 479 HA VAL 67 HA VAL 67 -9.625 8.073 9.968 480 HB VAL 67 HB VAL 67 -9.252 9.851 8.300 481 HG11 VAL 67 HG11 VAL 67 -6.880 9.359 7.904 482 HG12 VAL 67 HG12 VAL 67 -7.381 8.961 9.548 483 HG13 VAL 67 HG13 VAL 67 -7.165 7.679 8.356 484 HG21 VAL 67 HG21 VAL 67 -8.481 9.257 6.047 485 HG22 VAL 67 HG22 VAL 67 -8.818 7.558 6.381 486 HG23 VAL 67 HG23 VAL 67 -10.140 8.725 6.325 487 H GLU 68 H GLU 68 -11.723 6.324 8.177 488 HA GLU 68 HA GLU 68 -13.524 8.357 7.318 489 HB2 GLU 68 HB2 GLU 68 -15.136 6.537 7.003 490 HB3 GLU 68 HB3 GLU 68 -13.571 6.156 6.298 491 HG2 GLU 68 HG2 GLU 68 -13.064 4.608 7.970 492 HG3 GLU 68 HG3 GLU 68 -14.324 5.222 9.040 493 H LYS 69 H LYS 69 -12.673 7.460 10.365 494 HA LYS 69 HA LYS 69 -15.331 8.014 11.499 495 HB2 LYS 69 HB2 LYS 69 -12.982 7.130 13.141 496 HB3 LYS 69 HB3 LYS 69 -14.694 6.905 13.455 497 HG2 LYS 69 HG2 LYS 69 -13.137 5.481 11.308 498 HG3 LYS 69 HG3 LYS 69 -13.503 4.821 12.897 499 HD2 LYS 69 HD2 LYS 69 -15.611 5.710 10.939 500 HD3 LYS 69 HD3 LYS 69 -15.003 4.057 11.034 501 HE2 LYS 69 HE2 LYS 69 -15.664 4.053 13.452 502 HE3 LYS 69 HE3 LYS 69 -16.457 5.604 13.174 503 HZ1 LYS 69 HZ1 LYS 69 -17.731 4.416 11.357 504 HZ2 LYS 69 HZ2 LYS 69 -17.139 2.968 12.003 505 HZ3 LYS 69 HZ3 LYS 69 -18.116 3.975 12.950 506 H GLU 70 H GLU 70 -12.681 9.635 10.567 507 HA GLU 70 HA GLU 70 -12.297 11.280 12.939 508 HB2 GLU 70 HB2 GLU 70 -11.001 11.413 10.212 509 HB3 GLU 70 HB3 GLU 70 -10.506 12.322 11.632 510 HG2 GLU 70 HG2 GLU 70 -10.479 9.327 11.427 511 HG3 GLU 70 HG3 GLU 70 -9.088 10.365 11.145 512 H THR 71 H THR 71 -12.177 13.676 12.595 513 HA THR 71 HA THR 71 -14.564 14.686 11.406 514 HB THR 71 HB THR 71 -13.779 16.891 12.038 515 HG1 THR 71 HG1 THR 71 -11.335 15.896 12.997 516 HG21 THR 71 HG21 THR 71 -14.614 15.472 13.853 517 HG22 THR 71 HG22 THR 71 -12.978 14.867 14.127 518 HG23 THR 71 HG23 THR 71 -13.350 16.566 14.421 519 H HIS 72 H HIS 72 -14.545 16.449 9.728 520 HA HIS 72 HA HIS 72 -13.340 15.553 7.368 521 HB2 HIS 72 HB2 HIS 72 -15.316 16.967 7.315 522 HB3 HIS 72 HB3 HIS 72 -14.425 18.296 8.049 523 HD1 HIS 72 HD1 HIS 72 -14.231 16.190 4.877 524 HD2 HIS 72 HD2 HIS 72 -13.448 20.042 6.234 525 HE1 HIS 72 HE1 HIS 72 -13.522 17.496 2.844 526 HE2 HIS 72 HE2 HIS 72 -12.931 19.792 3.717 527 H GLN 73 H GLN 73 -12.346 18.033 9.667 528 HA GLN 73 HA GLN 73 -10.144 19.039 8.231 529 HB2 GLN 73 HB2 GLN 73 -11.068 20.233 10.130 530 HB3 GLN 73 HB3 GLN 73 -10.659 18.904 11.205 531 HG2 GLN 73 HG2 GLN 73 -8.271 19.297 10.716 532 HG3 GLN 73 HG3 GLN 73 -8.733 20.696 9.750 533 HE21 GLN 73 HE21 GLN 73 -9.512 22.537 10.775 534 HE22 GLN 73 HE22 GLN 73 -9.310 22.795 12.473 535 H GLN 74 H GLN 74 -10.377 16.457 10.662 536 HA GLN 74 HA GLN 74 -7.633 15.975 10.914 537 HB2 GLN 74 HB2 GLN 74 -10.022 14.213 11.395 538 HB3 GLN 74 HB3 GLN 74 -8.381 13.667 11.698 539 HG2 GLN 74 HG2 GLN 74 -9.648 16.076 12.979 540 HG3 GLN 74 HG3 GLN 74 -9.552 14.477 13.713 541 HE21 GLN 74 HE21 GLN 74 -8.331 15.144 15.432 542 HE22 GLN 74 HE22 GLN 74 -6.678 15.630 15.283 543 H VAL 75 H VAL 75 -10.058 14.525 8.801 544 HA VAL 75 HA VAL 75 -8.426 12.560 7.640 545 HB VAL 75 HB VAL 75 -10.772 13.989 6.375 546 HG11 VAL 75 HG11 VAL 75 -9.478 12.738 4.747 547 HG12 VAL 75 HG12 VAL 75 -9.531 11.307 5.777 548 HG13 VAL 75 HG13 VAL 75 -11.015 11.931 5.054 549 HG21 VAL 75 HG21 VAL 75 -12.109 12.113 7.228 550 HG22 VAL 75 HG22 VAL 75 -10.688 11.499 8.072 551 HG23 VAL 75 HG23 VAL 75 -11.382 13.055 8.528 552 H VAL 76 H VAL 76 -9.204 15.853 6.522 553 HA VAL 76 HA VAL 76 -7.683 15.663 4.135 554 HB VAL 76 HB VAL 76 -8.578 18.137 5.631 555 HG11 VAL 76 HG11 VAL 76 -7.748 17.859 2.746 556 HG12 VAL 76 HG12 VAL 76 -8.272 19.333 3.558 557 HG13 VAL 76 HG13 VAL 76 -6.752 18.567 4.021 558 HG21 VAL 76 HG21 VAL 76 -10.451 16.725 5.012 559 HG22 VAL 76 HG22 VAL 76 -10.418 18.169 4.000 560 HG23 VAL 76 HG23 VAL 76 -9.855 16.627 3.355 561 H SER 77 H SER 77 -6.946 16.790 7.385 562 HA SER 77 HA SER 77 -4.518 18.080 6.843 563 HB2 SER 77 HB2 SER 77 -5.779 18.286 8.973 564 HB3 SER 77 HB3 SER 77 -5.312 16.638 9.385 565 HG SER 77 HG SER 77 -3.062 17.562 8.979 566 H ARG 78 H ARG 78 -5.223 14.696 7.629 567 HA ARG 78 HA ARG 78 -2.518 13.903 7.893 568 HB2 ARG 78 HB2 ARG 78 -4.971 12.252 7.273 569 HB3 ARG 78 HB3 ARG 78 -3.395 11.588 7.687 570 HG2 ARG 78 HG2 ARG 78 -3.519 12.776 9.856 571 HG3 ARG 78 HG3 ARG 78 -5.151 13.295 9.434 572 HD2 ARG 78 HD2 ARG 78 -5.802 10.910 9.228 573 HD3 ARG 78 HD3 ARG 78 -4.191 10.457 9.787 574 HE ARG 78 HE ARG 78 -5.206 12.202 11.683 575 HH11 ARG 78 HH11 ARG 78 -6.018 9.025 10.430 576 HH12 ARG 78 HH12 ARG 78 -6.849 8.533 11.867 577 HH21 ARG 78 HH21 ARG 78 -6.265 11.528 13.588 578 HH22 ARG 78 HH22 ARG 78 -6.992 9.954 13.662 579 H ILE 79 H ILE 79 -4.712 13.999 5.138 580 HA ILE 79 HA ILE 79 -3.036 12.583 3.338 581 HB ILE 79 HB ILE 79 -5.063 14.704 2.612 582 HG12 ILE 79 HG12 ILE 79 -5.513 11.733 2.962 583 HG13 ILE 79 HG13 ILE 79 -6.009 12.959 4.125 584 HG21 ILE 79 HG21 ILE 79 -3.975 12.337 1.086 585 HG22 ILE 79 HG22 ILE 79 -5.252 13.416 0.522 586 HG23 ILE 79 HG23 ILE 79 -3.622 14.037 0.772 587 HD11 ILE 79 HD11 ILE 79 -7.475 13.950 2.429 588 HD12 ILE 79 HD12 ILE 79 -6.991 12.691 1.293 589 HD13 ILE 79 HD13 ILE 79 -7.879 12.265 2.756 590 H ARG 80 H ARG 80 -3.482 16.036 4.019 591 HA ARG 80 HA ARG 80 -1.607 16.948 2.091 592 HB2 ARG 80 HB2 ARG 80 -2.779 18.266 4.536 593 HB3 ARG 80 HB3 ARG 80 -1.676 19.088 3.441 594 HG2 ARG 80 HG2 ARG 80 -3.266 18.723 1.602 595 HG3 ARG 80 HG3 ARG 80 -4.372 17.955 2.743 596 HD2 ARG 80 HD2 ARG 80 -4.560 20.001 4.009 597 HD3 ARG 80 HD3 ARG 80 -3.353 20.783 2.988 598 HE ARG 80 HE ARG 80 -5.363 19.950 1.296 599 HH11 ARG 80 HH11 ARG 80 -5.034 22.127 4.014 600 HH12 ARG 80 HH12 ARG 80 -6.323 23.167 3.494 601 HH21 ARG 80 HH21 ARG 80 -7.055 21.331 0.604 602 HH22 ARG 80 HH22 ARG 80 -7.471 22.718 1.578 603 H ALA 81 H ALA 81 -1.308 15.666 5.249 604 HA ALA 81 HA ALA 81 0.946 16.939 6.259 605 HB1 ALA 81 HB1 ALA 81 0.040 14.096 6.700 606 HB2 ALA 81 HB2 ALA 81 1.164 14.995 7.727 607 HB3 ALA 81 HB3 ALA 81 -0.515 15.518 7.586 608 H ALA 82 H ALA 82 0.722 14.477 3.827 609 HA ALA 82 HA ALA 82 3.351 13.448 4.105 610 HB1 ALA 82 HB1 ALA 82 1.573 12.160 3.087 611 HB2 ALA 82 HB2 ALA 82 1.474 13.322 1.764 612 HB3 ALA 82 HB3 ALA 82 2.930 12.346 1.976 613 H LEU 83 H LEU 83 1.961 16.053 2.323 614 HA LEU 83 HA LEU 83 2.866 17.909 1.404 615 HB2 LEU 83 HB2 LEU 83 5.458 16.777 2.432 616 HB3 LEU 83 HB3 LEU 83 5.313 18.344 1.662 617 HG LEU 83 HG LEU 83 3.954 17.523 4.232 618 HD11 LEU 83 HD11 LEU 83 5.491 19.097 5.282 619 HD12 LEU 83 HD12 LEU 83 6.365 17.797 4.472 620 HD13 LEU 83 HD13 LEU 83 6.264 19.391 3.724 621 HD21 LEU 83 HD21 LEU 83 3.326 19.888 4.382 622 HD22 LEU 83 HD22 LEU 83 4.017 20.170 2.784 623 HD23 LEU 83 HD23 LEU 83 2.617 19.113 2.965 624 H ASN 84 H ASN 84 3.891 14.795 0.372 625 HA ASN 84 HA ASN 84 4.118 15.834 -2.334 626 HB2 ASN 84 HB2 ASN 84 6.436 15.876 -1.525 627 HB3 ASN 84 HB3 ASN 84 6.330 14.166 -1.121 628 HD21 ASN 84 HD21 ASN 84 4.952 15.690 -3.976 629 HD22 ASN 84 HD22 ASN 84 5.960 14.876 -5.127 630 H ALA 85 H ALA 85 4.450 12.841 -0.394 631 HA ALA 85 HA ALA 85 2.708 11.540 -2.365 632 HB1 ALA 85 HB1 ALA 85 4.140 9.567 -2.445 633 HB2 ALA 85 HB2 ALA 85 5.001 10.999 -3.009 634 HB3 ALA 85 HB3 ALA 85 5.310 10.365 -1.392 635 H VAL 86 H VAL 86 1.249 10.179 -1.519 636 HA VAL 86 HA VAL 86 1.521 9.237 1.213 637 HB VAL 86 HB VAL 86 0.623 11.420 1.625 638 HG11 VAL 86 HG11 VAL 86 -1.481 12.207 0.634 639 HG12 VAL 86 HG12 VAL 86 -0.208 11.971 -0.565 640 HG13 VAL 86 HG13 VAL 86 -1.502 10.782 -0.407 641 HG21 VAL 86 HG21 VAL 86 -1.511 10.913 2.702 642 HG22 VAL 86 HG22 VAL 86 -1.605 9.401 1.798 643 HG23 VAL 86 HG23 VAL 86 -0.325 9.640 2.987 644 H ARG 87 H ARG 87 0.090 7.555 1.742 645 HA ARG 87 HA ARG 87 -0.993 6.153 -0.576 646 HB2 ARG 87 HB2 ARG 87 -0.905 5.185 2.283 647 HB3 ARG 87 HB3 ARG 87 -1.078 4.221 0.825 648 HG2 ARG 87 HG2 ARG 87 1.185 4.580 0.210 649 HG3 ARG 87 HG3 ARG 87 1.387 5.820 1.450 650 HD2 ARG 87 HD2 ARG 87 2.417 3.895 2.328 651 HD3 ARG 87 HD3 ARG 87 0.863 4.010 3.147 652 HE ARG 87 HE ARG 87 1.170 2.238 0.824 653 HH11 ARG 87 HH11 ARG 87 0.467 2.697 4.232 654 HH12 ARG 87 HH12 ARG 87 0.009 1.039 4.493 655 HH21 ARG 87 HH21 ARG 87 0.601 0.045 1.171 656 HH22 ARG 87 HH22 ARG 87 0.085 -0.468 2.753 657 H LEU 88 H LEU 88 -3.028 6.698 -1.114 658 HA LEU 88 HA LEU 88 -4.995 7.161 1.028 659 HB2 LEU 88 HB2 LEU 88 -5.032 7.779 -1.933 660 HB3 LEU 88 HB3 LEU 88 -6.462 7.889 -0.930 661 HG LEU 88 HG LEU 88 -5.562 10.089 -1.240 662 HD11 LEU 88 HD11 LEU 88 -4.911 9.103 1.530 663 HD12 LEU 88 HD12 LEU 88 -5.203 10.779 1.065 664 HD13 LEU 88 HD13 LEU 88 -6.505 9.594 0.955 665 HD21 LEU 88 HD21 LEU 88 -3.285 9.529 -1.808 666 HD22 LEU 88 HD22 LEU 88 -3.319 10.700 -0.489 667 HD23 LEU 88 HD23 LEU 88 -2.979 9.003 -0.152 668 H LEU 89 H LEU 89 -6.346 5.520 1.535 669 HA LEU 89 HA LEU 89 -6.687 3.388 -0.455 670 HB2 LEU 89 HB2 LEU 89 -6.022 2.997 2.047 671 HB3 LEU 89 HB3 LEU 89 -7.731 3.238 2.350 672 HG LEU 89 HG LEU 89 -7.263 0.888 2.222 673 HD11 LEU 89 HD11 LEU 89 -8.712 1.778 -0.244 674 HD12 LEU 89 HD12 LEU 89 -8.761 0.155 0.445 675 HD13 LEU 89 HD13 LEU 89 -9.410 1.520 1.354 676 HD21 LEU 89 HD21 LEU 89 -6.394 -0.171 0.194 677 HD22 LEU 89 HD22 LEU 89 -6.135 1.425 -0.508 678 HD23 LEU 89 HD23 LEU 89 -5.229 0.935 0.924 679 H VAL 90 H VAL 90 -8.503 3.217 -1.528 680 HA VAL 90 HA VAL 90 -10.901 4.579 -0.530 681 HB VAL 90 HB VAL 90 -11.416 5.357 -2.851 682 HG11 VAL 90 HG11 VAL 90 -8.901 6.479 -1.622 683 HG12 VAL 90 HG12 VAL 90 -9.928 7.306 -2.793 684 HG13 VAL 90 HG13 VAL 90 -10.554 6.915 -1.190 685 HG21 VAL 90 HG21 VAL 90 -9.564 5.556 -4.460 686 HG22 VAL 90 HG22 VAL 90 -8.534 4.627 -3.370 687 HG23 VAL 90 HG23 VAL 90 -9.952 3.872 -4.100 688 H VAL 91 H VAL 91 -12.854 3.745 -1.312 689 HA VAL 91 HA VAL 91 -12.786 1.380 -2.992 690 HB VAL 91 HB VAL 91 -12.442 0.579 -0.638 691 HG11 VAL 91 HG11 VAL 91 -15.225 1.638 -0.200 692 HG12 VAL 91 HG12 VAL 91 -14.335 0.600 0.914 693 HG13 VAL 91 HG13 VAL 91 -13.746 2.226 0.559 694 HG21 VAL 91 HG21 VAL 91 -13.404 -0.894 -2.316 695 HG22 VAL 91 HG22 VAL 91 -14.111 -1.203 -0.731 696 HG23 VAL 91 HG23 VAL 91 -15.018 -0.290 -1.940 697 H ASP 92 H ASP 92 -14.687 1.094 -4.112 698 HA ASP 92 HA ASP 92 -16.551 3.150 -4.379 699 HB2 ASP 92 HB2 ASP 92 -17.005 0.197 -4.891 700 HB3 ASP 92 HB3 ASP 92 -17.957 1.517 -5.557 701 HA PRO 93 HA PRO 93 -18.816 2.838 -0.561 702 HB2 PRO 93 HB2 PRO 93 -21.006 3.999 -2.206 703 HB3 PRO 93 HB3 PRO 93 -20.323 4.568 -0.678 704 HG2 PRO 93 HG2 PRO 93 -19.758 5.818 -2.960 705 HG3 PRO 93 HG3 PRO 93 -18.511 5.589 -1.719 706 HD2 PRO 93 HD2 PRO 93 -18.930 4.103 -4.281 707 HD3 PRO 93 HD3 PRO 93 -17.414 4.614 -3.509 708 H GLU 94 H GLU 94 -20.139 1.780 -3.639 709 HA GLU 94 HA GLU 94 -22.212 0.164 -2.537 710 HB2 GLU 94 HB2 GLU 94 -20.903 -0.257 -5.217 711 HB3 GLU 94 HB3 GLU 94 -22.551 -0.638 -4.743 712 HG2 GLU 94 HG2 GLU 94 -21.370 2.095 -5.183 713 HG3 GLU 94 HG3 GLU 94 -22.575 1.279 -6.175 714 H THR 95 H THR 95 -18.927 -0.435 -3.678 715 HA THR 95 HA THR 95 -18.948 -3.236 -3.245 716 HB THR 95 HB THR 95 -16.548 -1.389 -3.353 717 HG1 THR 95 HG1 THR 95 -16.580 -2.034 -5.622 718 HG21 THR 95 HG21 THR 95 -16.061 -3.664 -2.528 719 HG22 THR 95 HG22 THR 95 -16.809 -4.336 -3.977 720 HG23 THR 95 HG23 THR 95 -15.341 -3.372 -4.112 721 H ASP 96 H ASP 96 -18.209 -0.452 -1.258 722 HA ASP 96 HA ASP 96 -16.880 -1.695 0.860 723 HB2 ASP 96 HB2 ASP 96 -16.909 0.668 0.850 724 HB3 ASP 96 HB3 ASP 96 -18.665 0.731 0.725 725 H GLU 97 H GLU 97 -20.324 -1.315 0.220 726 HA GLU 97 HA GLU 97 -21.226 -2.339 2.692 727 HB2 GLU 97 HB2 GLU 97 -22.604 -1.006 1.088 728 HB3 GLU 97 HB3 GLU 97 -22.666 -2.412 0.037 729 HG2 GLU 97 HG2 GLU 97 -23.844 -3.670 1.718 730 HG3 GLU 97 HG3 GLU 97 -23.690 -2.340 2.865 731 H GLN 98 H GLN 98 -20.497 -3.822 -0.410 732 HA GLN 98 HA GLN 98 -21.183 -6.475 0.264 733 HB2 GLN 98 HB2 GLN 98 -20.797 -5.917 -2.036 734 HB3 GLN 98 HB3 GLN 98 -19.183 -5.319 -1.684 735 HG2 GLN 98 HG2 GLN 98 -19.110 -7.467 -2.799 736 HG3 GLN 98 HG3 GLN 98 -18.439 -7.574 -1.175 737 HE21 GLN 98 HE21 GLN 98 -21.861 -7.423 -1.812 738 HE22 GLN 98 HE22 GLN 98 -22.214 -9.048 -1.353 739 H LEU 99 H LEU 99 -18.240 -4.569 0.621 740 HA LEU 99 HA LEU 99 -16.620 -6.646 1.645 741 HB2 LEU 99 HB2 LEU 99 -16.354 -3.672 2.047 742 HB3 LEU 99 HB3 LEU 99 -15.122 -4.866 2.405 743 HG LEU 99 HG LEU 99 -15.975 -3.744 -0.205 744 HD11 LEU 99 HD11 LEU 99 -13.906 -3.067 0.860 745 HD12 LEU 99 HD12 LEU 99 -13.375 -4.747 0.920 746 HD13 LEU 99 HD13 LEU 99 -13.574 -3.941 -0.635 747 HD21 LEU 99 HD21 LEU 99 -16.545 -6.107 -0.489 748 HD22 LEU 99 HD22 LEU 99 -15.133 -5.666 -1.448 749 HD23 LEU 99 HD23 LEU 99 -14.929 -6.565 0.057 750 H GLN 100 H GLN 100 -18.890 -4.427 3.154 751 HA GLN 100 HA GLN 100 -18.179 -4.715 5.830 752 HB2 GLN 100 HB2 GLN 100 -20.957 -4.539 4.645 753 HB3 GLN 100 HB3 GLN 100 -20.577 -4.302 6.343 754 HG2 GLN 100 HG2 GLN 100 -19.657 -2.590 4.050 755 HG3 GLN 100 HG3 GLN 100 -20.914 -2.192 5.214 756 HE21 GLN 100 HE21 GLN 100 -17.556 -2.303 4.572 757 HE22 GLN 100 HE22 GLN 100 -17.029 -1.559 6.042 758 H LYS 101 H LYS 101 -20.077 -6.807 3.736 759 HA LYS 101 HA LYS 101 -20.864 -8.644 5.769 760 HB2 LYS 101 HB2 LYS 101 -20.642 -9.297 2.835 761 HB3 LYS 101 HB3 LYS 101 -21.744 -9.980 4.020 762 HG2 LYS 101 HG2 LYS 101 -21.820 -7.186 2.901 763 HG3 LYS 101 HG3 LYS 101 -22.931 -8.504 2.531 764 HD2 LYS 101 HD2 LYS 101 -23.684 -8.523 4.863 765 HD3 LYS 101 HD3 LYS 101 -22.575 -7.200 5.234 766 HE2 LYS 101 HE2 LYS 101 -23.754 -5.813 3.539 767 HE3 LYS 101 HE3 LYS 101 -24.909 -7.126 3.328 768 HZ1 LYS 101 HZ1 LYS 101 -24.433 -5.573 5.814 769 HZ2 LYS 101 HZ2 LYS 101 -25.810 -5.512 4.824 770 HZ3 LYS 101 HZ3 LYS 101 -25.464 -6.919 5.703 771 H LEU 102 H LEU 102 -17.956 -8.134 4.078 772 HA LEU 102 HA LEU 102 -17.023 -10.880 4.567 773 HB2 LEU 102 HB2 LEU 102 -15.775 -8.900 2.676 774 HB3 LEU 102 HB3 LEU 102 -15.551 -10.634 2.726 775 HG LEU 102 HG LEU 102 -18.059 -9.194 1.856 776 HD11 LEU 102 HD11 LEU 102 -16.120 -10.824 0.220 777 HD12 LEU 102 HD12 LEU 102 -17.563 -9.986 -0.358 778 HD13 LEU 102 HD13 LEU 102 -16.192 -9.060 0.251 779 HD21 LEU 102 HD21 LEU 102 -18.903 -11.376 1.217 780 HD22 LEU 102 HD22 LEU 102 -17.455 -12.143 1.875 781 HD23 LEU 102 HD23 LEU 102 -18.577 -11.307 2.949 782 H GLY 103 H GLY 103 -15.151 -7.941 3.975 783 HA2 GLY 103 HA2 GLY 103 -13.625 -6.799 5.226 784 HA3 GLY 103 HA3 GLY 103 -14.619 -7.228 6.603 785 H VAL 104 H VAL 104 -12.855 -9.491 4.530 786 HA VAL 104 HA VAL 104 -11.144 -10.056 6.859 787 HB VAL 104 HB VAL 104 -10.847 -12.350 5.934 788 HG11 VAL 104 HG11 VAL 104 -13.066 -13.161 6.611 789 HG12 VAL 104 HG12 VAL 104 -12.446 -11.931 7.712 790 HG13 VAL 104 HG13 VAL 104 -13.682 -11.512 6.528 791 HG21 VAL 104 HG21 VAL 104 -13.058 -11.535 4.052 792 HG22 VAL 104 HG22 VAL 104 -11.393 -11.899 3.598 793 HG23 VAL 104 HG23 VAL 104 -12.428 -13.170 4.255 794 H GLN 105 H GLN 105 -9.202 -9.210 6.652 795 HA GLN 105 HA GLN 105 -7.013 -9.195 6.028 796 HB2 GLN 105 HB2 GLN 105 -7.925 -10.962 3.762 797 HB3 GLN 105 HB3 GLN 105 -6.247 -10.589 4.120 798 HG2 GLN 105 HG2 GLN 105 -6.387 -11.714 6.231 799 HG3 GLN 105 HG3 GLN 105 -8.124 -11.947 6.038 800 HE21 GLN 105 HE21 GLN 105 -7.933 -14.171 6.234 801 HE22 GLN 105 HE22 GLN 105 -7.279 -15.162 4.973 802 H VAL 106 H VAL 106 -9.286 -8.563 3.414 803 HA VAL 106 HA VAL 106 -7.358 -7.668 1.569 804 HB VAL 106 HB VAL 106 -9.178 -7.004 0.156 805 HG11 VAL 106 HG11 VAL 106 -9.784 -9.534 1.677 806 HG12 VAL 106 HG12 VAL 106 -10.375 -9.133 0.065 807 HG13 VAL 106 HG13 VAL 106 -8.649 -9.369 0.338 808 HG21 VAL 106 HG21 VAL 106 -11.516 -7.122 0.939 809 HG22 VAL 106 HG22 VAL 106 -10.932 -7.374 2.585 810 HG23 VAL 106 HG23 VAL 106 -10.594 -5.857 1.751 811 H ARG 107 H ARG 107 -8.165 -5.965 4.273 812 HA ARG 107 HA ARG 107 -8.816 -3.438 3.195 813 HB2 ARG 107 HB2 ARG 107 -8.626 -2.557 5.327 814 HB3 ARG 107 HB3 ARG 107 -9.012 -4.238 5.646 815 HG2 ARG 107 HG2 ARG 107 -6.753 -4.722 6.240 816 HG3 ARG 107 HG3 ARG 107 -6.215 -3.135 5.684 817 HD2 ARG 107 HD2 ARG 107 -8.006 -3.733 8.035 818 HD3 ARG 107 HD3 ARG 107 -6.368 -3.081 8.081 819 HE ARG 107 HE ARG 107 -7.431 -1.135 6.772 820 HH11 ARG 107 HH11 ARG 107 -8.994 -2.954 9.341 821 HH12 ARG 107 HH12 ARG 107 -10.134 -1.697 9.708 822 HH21 ARG 107 HH21 ARG 107 -8.877 0.508 7.249 823 HH22 ARG 107 HH22 ARG 107 -10.059 0.295 8.516 824 H GLU 108 H GLU 108 -5.802 -5.109 3.499 825 HA GLU 108 HA GLU 108 -4.545 -3.198 1.795 826 HB2 GLU 108 HB2 GLU 108 -4.381 -2.306 4.267 827 HB3 GLU 108 HB3 GLU 108 -3.100 -3.499 4.401 828 HG2 GLU 108 HG2 GLU 108 -2.904 -1.796 2.034 829 HG3 GLU 108 HG3 GLU 108 -2.781 -0.930 3.560 830 H GLU 109 H GLU 109 -4.214 -5.966 3.943 831 HA GLU 109 HA GLU 109 -1.780 -6.995 3.114 832 HB2 GLU 109 HB2 GLU 109 -4.213 -8.617 3.879 833 HB3 GLU 109 HB3 GLU 109 -2.537 -9.138 3.965 834 HG2 GLU 109 HG2 GLU 109 -3.836 -6.984 5.611 835 HG3 GLU 109 HG3 GLU 109 -3.353 -8.587 6.159 836 H LEU 110 H LEU 110 -4.857 -7.065 1.513 837 HA LEU 110 HA LEU 110 -4.550 -9.236 -0.212 838 HB2 LEU 110 HB2 LEU 110 -6.604 -7.772 0.270 839 HB3 LEU 110 HB3 LEU 110 -5.962 -6.670 -0.927 840 HG LEU 110 HG LEU 110 -7.786 -8.247 -1.696 841 HD11 LEU 110 HD11 LEU 110 -6.759 -8.675 -3.865 842 HD12 LEU 110 HD12 LEU 110 -6.388 -7.053 -3.282 843 HD13 LEU 110 HD13 LEU 110 -5.168 -8.324 -3.187 844 HD21 LEU 110 HD21 LEU 110 -7.117 -10.521 -2.286 845 HD22 LEU 110 HD22 LEU 110 -5.550 -10.264 -1.517 846 HD23 LEU 110 HD23 LEU 110 -7.023 -10.247 -0.547 847 H LEU 111 H LEU 111 -3.334 -5.954 -0.400 848 HA LEU 111 HA LEU 111 -2.565 -6.142 -3.164 849 HB2 LEU 111 HB2 LEU 111 -1.898 -4.101 -1.049 850 HB3 LEU 111 HB3 LEU 111 -1.529 -3.943 -2.754 851 HG LEU 111 HG LEU 111 -4.315 -4.147 -1.608 852 HD11 LEU 111 HD11 LEU 111 -2.769 -1.771 -2.629 853 HD12 LEU 111 HD12 LEU 111 -4.486 -1.771 -2.226 854 HD13 LEU 111 HD13 LEU 111 -3.282 -2.060 -0.968 855 HD21 LEU 111 HD21 LEU 111 -4.143 -5.032 -3.878 856 HD22 LEU 111 HD22 LEU 111 -5.026 -3.505 -3.863 857 HD23 LEU 111 HD23 LEU 111 -3.348 -3.550 -4.406 858 H ARG 112 H ARG 112 -1.215 -7.163 -0.238 859 HA ARG 112 HA ARG 112 1.514 -7.101 -1.311 860 HB2 ARG 112 HB2 ARG 112 0.598 -7.877 1.454 861 HB3 ARG 112 HB3 ARG 112 2.256 -7.631 0.929 862 HG2 ARG 112 HG2 ARG 112 1.598 -5.242 0.419 863 HG3 ARG 112 HG3 ARG 112 0.104 -5.576 1.297 864 HD2 ARG 112 HD2 ARG 112 1.532 -6.335 3.217 865 HD3 ARG 112 HD3 ARG 112 2.919 -5.697 2.336 866 HE ARG 112 HE ARG 112 0.681 -3.879 2.865 867 HH11 ARG 112 HH11 ARG 112 3.971 -4.883 3.534 868 HH12 ARG 112 HH12 ARG 112 4.334 -3.512 4.540 869 HH21 ARG 112 HH21 ARG 112 1.133 -2.074 4.192 870 HH22 ARG 112 HH22 ARG 112 2.712 -1.901 4.905 871 H ALA 113 H ALA 113 -0.280 -8.788 -2.524 872 HA ALA 113 HA ALA 113 -0.315 -11.420 -1.511 873 HB1 ALA 113 HB1 ALA 113 -1.910 -10.583 -3.159 874 HB2 ALA 113 HB2 ALA 113 -0.615 -10.468 -4.349 875 HB3 ALA 113 HB3 ALA 113 -1.100 -12.045 -3.722 876 H GLN 114 H GLN 114 1.601 -12.332 -1.031 877 HA GLN 114 HA GLN 114 3.845 -12.175 -2.837 878 HB2 GLN 114 HB2 GLN 114 5.070 -13.395 -1.206 879 HB3 GLN 114 HB3 GLN 114 4.058 -12.267 -0.320 880 HG2 GLN 114 HG2 GLN 114 3.321 -15.144 -0.765 881 HG3 GLN 114 HG3 GLN 114 4.233 -14.581 0.629 882 HE21 GLN 114 HE21 GLN 114 1.143 -14.655 -0.942 883 HE22 GLN 114 HE22 GLN 114 0.221 -14.059 0.395 884 H GLU 115 H GLU 115 4.895 -14.129 -3.672 885 HA GLU 115 HA GLU 115 2.857 -16.024 -4.631 886 HB2 GLU 115 HB2 GLU 115 5.548 -15.319 -5.815 887 HB3 GLU 115 HB3 GLU 115 4.411 -16.476 -6.494 888 HG2 GLU 115 HG2 GLU 115 2.775 -14.675 -6.790 889 HG3 GLU 115 HG3 GLU 115 3.941 -13.522 -6.143 890 H ALA 116 H ALA 116 3.000 -18.112 -4.177 891 HA ALA 116 HA ALA 116 3.618 -20.027 -3.128 892 HB1 ALA 116 HB1 ALA 116 5.317 -20.018 -4.924 893 HB2 ALA 116 HB2 ALA 116 6.426 -19.178 -3.840 894 HB3 ALA 116 HB3 ALA 116 5.882 -20.810 -3.454 895 HA PRO 117 HA PRO 117 4.679 -17.546 0.663 896 HB2 PRO 117 HB2 PRO 117 2.229 -18.673 1.769 897 HB3 PRO 117 HB3 PRO 117 2.670 -16.979 1.538 898 HG2 PRO 117 HG2 PRO 117 0.736 -18.198 0.083 899 HG3 PRO 117 HG3 PRO 117 1.743 -16.889 -0.564 900 HD2 PRO 117 HD2 PRO 117 1.985 -19.847 -0.975 901 HD3 PRO 117 HD3 PRO 117 2.163 -18.528 -2.152 902 H GLY 118 H GLY 118 6.208 -18.557 1.784 903 HA2 GLY 118 HA2 GLY 118 5.788 -21.378 2.523 904 HA3 GLY 118 HA3 GLY 118 7.348 -20.579 2.386 905 H GLN 119 H GLN 119 4.311 -19.996 4.177 906 HA GLN 119 HA GLN 119 5.937 -19.470 6.549 907 HB2 GLN 119 HB2 GLN 119 4.001 -18.445 7.527 908 HB3 GLN 119 HB3 GLN 119 4.212 -17.797 5.914 909 HG2 GLN 119 HG2 GLN 119 2.251 -19.969 6.611 910 HG3 GLN 119 HG3 GLN 119 1.857 -18.254 6.574 911 HE21 GLN 119 HE21 GLN 119 2.534 -21.087 4.709 912 HE22 GLN 119 HE22 GLN 119 2.099 -20.428 3.167 913 H ALA 120 H ALA 120 5.714 -20.627 8.427 914 HA ALA 120 HA ALA 120 3.938 -22.917 8.505 915 HB1 ALA 120 HB1 ALA 120 6.941 -23.262 8.580 916 HB2 ALA 120 HB2 ALA 120 5.748 -24.527 8.873 917 HB3 ALA 120 HB3 ALA 120 5.870 -23.786 7.278 918 H1 GLN 1 HT1 GLN 1 -16.475 23.888 -3.189 919 H2 GLN 1 HT2 GLN 1 -16.228 25.129 -2.059 920 H3 GLN 1 HT3 GLN 1 -17.520 25.224 -3.152 921 HA GLN 1 HA GLN 1 -18.253 24.605 -0.933 922 HB2 GLN 1 HB2 GLN 1 -19.550 23.842 -2.855 923 HB3 GLN 1 HB3 GLN 1 -18.503 22.434 -3.025 924 HG2 GLN 1 HG2 GLN 1 -19.239 21.676 -0.784 925 HG3 GLN 1 HG3 GLN 1 -20.367 23.031 -0.736 926 HE21 GLN 1 HE21 GLN 1 -19.621 19.952 -2.156 927 HE22 GLN 1 HE22 GLN 1 -21.158 19.719 -2.938 928 H ASP 2 H ASP 2 -16.223 22.091 -2.434 929 HA ASP 2 HA ASP 2 -15.815 21.008 0.267 930 HB2 ASP 2 HB2 ASP 2 -16.023 19.607 -2.389 931 HB3 ASP 2 HB3 ASP 2 -15.310 18.830 -0.975 932 H THR 3 H THR 3 -13.831 20.233 0.848 933 HA THR 3 HA THR 3 -11.809 22.091 0.252 934 HB THR 3 HB THR 3 -11.477 19.476 1.724 935 HG1 THR 3 HG1 THR 3 -12.986 21.702 2.307 936 HG21 THR 3 HG21 THR 3 -10.092 22.145 2.000 937 HG22 THR 3 HG22 THR 3 -9.803 20.729 3.008 938 HG23 THR 3 HG23 THR 3 -9.395 20.685 1.293 939 H ARG 4 H ARG 4 -10.199 22.080 -1.170 940 HA ARG 4 HA ARG 4 -9.873 19.867 -2.985 941 HB2 ARG 4 HB2 ARG 4 -9.677 22.278 -3.689 942 HB3 ARG 4 HB3 ARG 4 -8.178 22.366 -2.772 943 HG2 ARG 4 HG2 ARG 4 -7.428 20.373 -4.211 944 HG3 ARG 4 HG3 ARG 4 -8.772 20.814 -5.264 945 HD2 ARG 4 HD2 ARG 4 -6.363 22.462 -4.530 946 HD3 ARG 4 HD3 ARG 4 -6.829 21.876 -6.124 947 HE ARG 4 HE ARG 4 -8.268 23.979 -4.638 948 HH11 ARG 4 HH11 ARG 4 -7.284 22.493 -7.659 949 HH12 ARG 4 HH12 ARG 4 -7.855 23.808 -8.626 950 HH21 ARG 4 HH21 ARG 4 -9.045 25.688 -5.921 951 HH22 ARG 4 HH22 ARG 4 -8.873 25.611 -7.650 952 H LEU 5 H LEU 5 -8.478 18.263 -2.773 953 HA LEU 5 HA LEU 5 -6.384 18.416 -0.749 954 HB2 LEU 5 HB2 LEU 5 -7.692 16.217 -2.287 955 HB3 LEU 5 HB3 LEU 5 -6.060 15.964 -1.707 956 HG LEU 5 HG LEU 5 -7.623 15.008 -0.143 957 HD11 LEU 5 HD11 LEU 5 -6.988 16.222 1.902 958 HD12 LEU 5 HD12 LEU 5 -5.626 15.981 0.807 959 HD13 LEU 5 HD13 LEU 5 -6.409 17.558 0.905 960 HD21 LEU 5 HD21 LEU 5 -8.843 17.760 0.046 961 HD22 LEU 5 HD22 LEU 5 -9.588 16.342 -0.694 962 HD23 LEU 5 HD23 LEU 5 -9.273 16.370 1.042 Start of MODEL 14 1 H1 GLY 4 HT1 GLY 4 -16.031 -23.064 1.498 2 H2 GLY 4 HT2 GLY 4 -16.919 -24.251 0.675 3 H3 GLY 4 HT3 GLY 4 -17.720 -23.108 1.641 4 HA2 GLY 4 HA3 GLY 4 -16.205 -22.513 -0.841 5 HA3 GLY 4 HA2 GLY 4 -17.958 -22.571 -0.705 6 H ILE 5 H ILE 5 -16.981 -20.296 -1.654 7 HA ILE 5 HA ILE 5 -17.420 -18.415 0.533 8 HB ILE 5 HB ILE 5 -15.526 -16.966 -0.495 9 HG12 ILE 5 HG12 ILE 5 -13.562 -18.440 -1.183 10 HG13 ILE 5 HG13 ILE 5 -14.732 -19.730 -1.415 11 HG21 ILE 5 HG21 ILE 5 -14.929 -19.341 1.253 12 HG22 ILE 5 HG22 ILE 5 -13.894 -17.923 1.074 13 HG23 ILE 5 HG23 ILE 5 -15.504 -17.758 1.778 14 HD11 ILE 5 HD11 ILE 5 -14.708 -17.093 -2.864 15 HD12 ILE 5 HD12 ILE 5 -14.169 -18.643 -3.511 16 HD13 ILE 5 HD13 ILE 5 -15.869 -18.399 -3.108 17 H ASP 6 H ASP 6 -17.151 -16.074 -0.621 18 HA ASP 6 HA ASP 6 -18.918 -16.142 -2.973 19 HB2 ASP 6 HB2 ASP 6 -19.285 -14.726 -0.702 20 HB3 ASP 6 HB3 ASP 6 -18.275 -13.581 -1.584 21 HA PRO 7 HA PRO 7 -15.635 -15.137 -5.769 22 HB2 PRO 7 HB2 PRO 7 -17.547 -12.951 -6.540 23 HB3 PRO 7 HB3 PRO 7 -16.562 -13.995 -7.580 24 HG2 PRO 7 HG2 PRO 7 -19.087 -14.595 -7.256 25 HG3 PRO 7 HG3 PRO 7 -17.865 -15.878 -7.126 26 HD2 PRO 7 HD2 PRO 7 -19.387 -14.494 -4.949 27 HD3 PRO 7 HD3 PRO 7 -18.903 -16.199 -5.078 28 H PHE 8 H PHE 8 -13.891 -13.913 -5.712 29 HA PHE 8 HA PHE 8 -13.717 -12.006 -3.573 30 HB2 PHE 8 HB2 PHE 8 -11.748 -13.278 -5.411 31 HB3 PHE 8 HB3 PHE 8 -11.284 -11.796 -4.578 32 HD1 PHE 8 HD2 PHE 8 -11.891 -11.789 -1.999 33 HD2 PHE 8 HD1 PHE 8 -11.283 -15.278 -4.362 34 HE1 PHE 8 HE2 PHE 8 -11.358 -13.064 0.034 35 HE2 PHE 8 HE1 PHE 8 -10.762 -16.566 -2.330 36 HZ PHE 8 HZ PHE 8 -10.796 -15.461 -0.131 37 H THR 9 H THR 9 -15.275 -10.580 -4.470 38 HA THR 9 HA THR 9 -14.374 -8.762 -6.547 39 HB THR 9 HB THR 9 -16.728 -9.359 -6.444 40 HG1 THR 9 HG1 THR 9 -16.679 -7.357 -7.233 41 HG21 THR 9 HG21 THR 9 -18.152 -8.628 -4.562 42 HG22 THR 9 HG22 THR 9 -16.974 -9.855 -4.093 43 HG23 THR 9 HG23 THR 9 -16.699 -8.159 -3.681 44 H MET 10 H MET 10 -13.866 -9.244 -3.339 45 HA MET 10 HA MET 10 -13.841 -6.563 -2.347 46 HB2 MET 10 HB2 MET 10 -12.457 -9.020 -1.255 47 HB3 MET 10 HB3 MET 10 -12.683 -7.505 -0.397 48 HG2 MET 10 HG2 MET 10 -15.143 -7.862 -0.584 49 HG3 MET 10 HG3 MET 10 -14.796 -9.459 -1.244 50 HE1 MET 10 HE1 MET 10 -13.809 -8.091 3.046 51 HE2 MET 10 HE2 MET 10 -13.059 -7.372 1.619 52 HE3 MET 10 HE3 MET 10 -14.786 -7.165 1.907 53 H LEU 11 H LEU 11 -12.551 -5.605 -4.118 54 HA LEU 11 HA LEU 11 -9.702 -5.829 -3.411 55 HB2 LEU 11 HB2 LEU 11 -10.918 -5.433 -6.130 56 HB3 LEU 11 HB3 LEU 11 -9.270 -4.965 -5.781 57 HG LEU 11 HG LEU 11 -9.134 -7.064 -6.835 58 HD11 LEU 11 HD11 LEU 11 -8.207 -8.539 -5.111 59 HD12 LEU 11 HD12 LEU 11 -7.663 -6.872 -4.927 60 HD13 LEU 11 HD13 LEU 11 -8.917 -7.512 -3.866 61 HD21 LEU 11 HD21 LEU 11 -11.471 -7.722 -6.615 62 HD22 LEU 11 HD22 LEU 11 -10.388 -9.035 -6.150 63 HD23 LEU 11 HD23 LEU 11 -11.213 -8.089 -4.909 64 HA PRO 12 HA PRO 12 -10.766 -1.465 -2.624 65 HB2 PRO 12 HB2 PRO 12 -9.274 -1.230 -0.394 66 HB3 PRO 12 HB3 PRO 12 -10.903 -1.907 -0.356 67 HG2 PRO 12 HG2 PRO 12 -8.268 -3.314 -0.306 68 HG3 PRO 12 HG3 PRO 12 -9.749 -3.676 0.598 69 HD2 PRO 12 HD2 PRO 12 -8.955 -5.008 -1.679 70 HD3 PRO 12 HD3 PRO 12 -10.637 -4.890 -1.125 71 H ARG 13 H ARG 13 -9.614 -0.087 -3.842 72 HA ARG 13 HA ARG 13 -6.928 -0.878 -4.587 73 HB2 ARG 13 HB2 ARG 13 -7.112 0.910 -6.288 74 HB3 ARG 13 HB3 ARG 13 -8.401 -0.280 -6.389 75 HG2 ARG 13 HG2 ARG 13 -9.925 1.258 -5.268 76 HG3 ARG 13 HG3 ARG 13 -8.627 2.450 -5.133 77 HD2 ARG 13 HD2 ARG 13 -9.795 1.360 -7.694 78 HD3 ARG 13 HD3 ARG 13 -10.079 2.964 -7.018 79 HE ARG 13 HE ARG 13 -7.699 3.420 -7.393 80 HH11 ARG 13 HH11 ARG 13 -9.197 0.781 -9.140 81 HH12 ARG 13 HH12 ARG 13 -8.001 0.775 -10.405 82 HH21 ARG 13 HH21 ARG 13 -6.132 3.432 -9.069 83 HH22 ARG 13 HH22 ARG 13 -6.262 2.273 -10.362 84 H LEU 14 H LEU 14 -5.132 -0.004 -3.889 85 HA LEU 14 HA LEU 14 -5.264 2.279 -2.089 86 HB2 LEU 14 HB2 LEU 14 -3.894 0.228 -1.578 87 HB3 LEU 14 HB3 LEU 14 -2.850 0.661 -2.918 88 HG LEU 14 HG LEU 14 -2.294 2.784 -1.764 89 HD11 LEU 14 HD11 LEU 14 -3.901 1.597 0.495 90 HD12 LEU 14 HD12 LEU 14 -2.900 3.044 0.597 91 HD13 LEU 14 HD13 LEU 14 -4.324 3.029 -0.443 92 HD21 LEU 14 HD21 LEU 14 -0.885 1.771 -0.032 93 HD22 LEU 14 HD22 LEU 14 -1.803 0.271 -0.170 94 HD23 LEU 14 HD23 LEU 14 -0.843 0.846 -1.532 95 H CYS 15 H CYS 15 -5.379 4.160 -3.094 96 HA CYS 15 HA CYS 15 -4.048 4.513 -5.667 97 HB2 CYS 15 HB2 CYS 15 -6.062 6.205 -4.172 98 HB3 CYS 15 HB3 CYS 15 -5.401 6.611 -5.749 99 HG CYS 15 HG CYS 15 -8.077 5.000 -5.183 100 H CYS 16 H CYS 16 -2.017 5.193 -5.584 101 HA CYS 16 HA CYS 16 -1.121 6.916 -3.430 102 HB2 CYS 16 HB2 CYS 16 1.096 6.722 -4.739 103 HB3 CYS 16 HB3 CYS 16 0.479 5.287 -3.929 104 HG CYS 16 HG CYS 16 0.041 5.920 -7.268 105 H LEU 17 H LEU 17 -1.541 8.996 -3.579 106 HA LEU 17 HA LEU 17 -1.548 10.287 -6.212 107 HB2 LEU 17 HB2 LEU 17 -2.602 11.195 -3.532 108 HB3 LEU 17 HB3 LEU 17 -2.558 12.222 -4.950 109 HG LEU 17 HG LEU 17 -4.011 10.414 -6.070 110 HD11 LEU 17 HD11 LEU 17 -4.477 9.694 -3.190 111 HD12 LEU 17 HD12 LEU 17 -5.397 9.108 -4.576 112 HD13 LEU 17 HD13 LEU 17 -3.696 8.674 -4.398 113 HD21 LEU 17 HD21 LEU 17 -6.047 11.390 -5.134 114 HD22 LEU 17 HD22 LEU 17 -5.098 12.087 -3.821 115 HD23 LEU 17 HD23 LEU 17 -4.825 12.615 -5.480 116 H GLU 18 H GLU 18 0.170 11.421 -6.812 117 HA GLU 18 HA GLU 18 2.308 11.965 -4.958 118 HB2 GLU 18 HB2 GLU 18 2.139 13.175 -7.702 119 HB3 GLU 18 HB3 GLU 18 3.565 12.703 -6.794 120 HG2 GLU 18 HG2 GLU 18 3.540 11.015 -8.282 121 HG3 GLU 18 HG3 GLU 18 2.466 10.303 -7.076 122 H LYS 19 H LYS 19 2.974 13.939 -4.138 123 HA LYS 19 HA LYS 19 1.007 16.014 -3.965 124 HB2 LYS 19 HB2 LYS 19 2.502 15.642 -2.091 125 HB3 LYS 19 HB3 LYS 19 3.908 15.928 -3.106 126 HG2 LYS 19 HG2 LYS 19 3.457 17.853 -1.705 127 HG3 LYS 19 HG3 LYS 19 3.226 18.260 -3.405 128 HD2 LYS 19 HD2 LYS 19 1.450 19.229 -2.099 129 HD3 LYS 19 HD3 LYS 19 0.794 17.943 -3.111 130 HE2 LYS 19 HE2 LYS 19 -0.185 17.741 -0.953 131 HE3 LYS 19 HE3 LYS 19 0.962 16.419 -1.149 132 HZ1 LYS 19 HZ1 LYS 19 1.247 18.859 0.493 133 HZ2 LYS 19 HZ2 LYS 19 1.346 17.242 0.983 134 HZ3 LYS 19 HZ3 LYS 19 2.593 17.919 0.063 135 H GLY 20 H GLY 20 0.568 17.309 -5.589 136 HA2 GLY 20 HA2 GLY 20 2.612 17.923 -7.586 137 HA3 GLY 20 HA3 GLY 20 0.896 18.291 -7.700 138 HA PRO 21 HA PRO 21 2.674 22.418 -7.170 139 HB2 PRO 21 HB2 PRO 21 -0.204 23.115 -7.391 140 HB3 PRO 21 HB3 PRO 21 1.182 23.756 -8.279 141 HG2 PRO 21 HG2 PRO 21 -0.528 22.074 -9.441 142 HG3 PRO 21 HG3 PRO 21 1.212 21.986 -9.773 143 HD2 PRO 21 HD2 PRO 21 -0.481 20.241 -8.034 144 HD3 PRO 21 HD3 PRO 21 0.877 19.803 -9.092 145 H ASN 22 H ASN 22 -0.560 21.842 -5.739 146 HA ASN 22 HA ASN 22 0.516 22.672 -3.141 147 HB2 ASN 22 HB2 ASN 22 -1.407 24.171 -2.747 148 HB3 ASN 22 HB3 ASN 22 -0.399 24.720 -4.076 149 HD21 ASN 22 HD21 ASN 22 -2.004 25.944 -4.980 150 HD22 ASN 22 HD22 ASN 22 -3.372 25.247 -5.787 151 H GLY 23 H GLY 23 -0.424 20.118 -4.349 152 HA2 GLY 23 HA2 GLY 23 -1.629 18.852 -2.301 153 HA3 GLY 23 HA3 GLY 23 -2.988 19.616 -3.109 154 H TYR 24 H TYR 24 -4.027 17.899 -3.940 155 HA TYR 24 HA TYR 24 -2.474 16.122 -5.713 156 HB2 TYR 24 HB2 TYR 24 -4.794 15.271 -3.967 157 HB3 TYR 24 HB3 TYR 24 -3.750 14.230 -4.937 158 HD1 TYR 24 HD1 TYR 24 -1.310 14.057 -4.318 159 HD2 TYR 24 HD2 TYR 24 -4.197 15.859 -1.770 160 HE1 TYR 24 HE1 TYR 24 0.245 13.856 -2.427 161 HE2 TYR 24 HE2 TYR 24 -2.655 15.656 0.131 162 HH TYR 24 HH TYR 24 -0.734 14.355 0.810 163 H GLY 25 H GLY 25 -5.389 17.920 -5.129 164 HA2 GLY 25 HA2 GLY 25 -6.394 19.013 -6.993 165 HA3 GLY 25 HA3 GLY 25 -5.897 17.677 -8.013 166 H PHE 26 H PHE 26 -7.468 17.073 -4.935 167 HA PHE 26 HA PHE 26 -10.011 16.729 -6.354 168 HB2 PHE 26 HB2 PHE 26 -10.465 14.610 -5.331 169 HB3 PHE 26 HB3 PHE 26 -8.899 14.503 -6.118 170 HD1 PHE 26 HD2 PHE 26 -6.823 14.656 -4.684 171 HD2 PHE 26 HD1 PHE 26 -10.723 14.137 -3.061 172 HE1 PHE 26 HE2 PHE 26 -5.842 13.815 -2.591 173 HE2 PHE 26 HE1 PHE 26 -9.745 13.297 -0.968 174 HZ PHE 26 HZ PHE 26 -7.304 13.129 -0.733 175 H HIS 27 H HIS 27 -11.883 16.807 -4.987 176 HA HIS 27 HA HIS 27 -11.366 18.437 -2.591 177 HB2 HIS 27 HB2 HIS 27 -13.796 18.320 -4.394 178 HB3 HIS 27 HB3 HIS 27 -13.739 19.223 -2.885 179 HD1 HIS 27 HD1 HIS 27 -13.292 21.627 -3.254 180 HD2 HIS 27 HD2 HIS 27 -11.481 19.257 -6.157 181 HE1 HIS 27 HE1 HIS 27 -12.147 23.227 -4.823 182 HE2 HIS 27 HE2 HIS 27 -10.918 21.760 -6.473 183 H LEU 28 H LEU 28 -11.862 17.640 -0.664 184 HA LEU 28 HA LEU 28 -13.242 15.051 -0.588 185 HB2 LEU 28 HB2 LEU 28 -10.887 15.433 0.364 186 HB3 LEU 28 HB3 LEU 28 -11.671 16.338 1.639 187 HG LEU 28 HG LEU 28 -11.053 13.958 2.188 188 HD11 LEU 28 HD11 LEU 28 -12.665 15.172 3.533 189 HD12 LEU 28 HD12 LEU 28 -13.961 14.700 2.435 190 HD13 LEU 28 HD13 LEU 28 -13.122 13.475 3.387 191 HD21 LEU 28 HD21 LEU 28 -11.652 12.943 0.064 192 HD22 LEU 28 HD22 LEU 28 -12.535 12.190 1.393 193 HD23 LEU 28 HD23 LEU 28 -13.347 13.345 0.337 194 H HIS 29 H HIS 29 -15.222 14.920 0.183 195 HA HIS 29 HA HIS 29 -16.271 17.139 1.811 196 HB2 HIS 29 HB2 HIS 29 -17.647 16.924 -0.104 197 HB3 HIS 29 HB3 HIS 29 -17.610 15.167 -0.041 198 HD1 HIS 29 HD1 HIS 29 -19.302 18.145 1.514 199 HD2 HIS 29 HD2 HIS 29 -19.508 13.992 1.608 200 HE1 HIS 29 HE1 HIS 29 -21.403 17.592 2.787 201 HE2 HIS 29 HE2 HIS 29 -21.406 15.072 2.982 202 H GLY 30 H GLY 30 -16.858 16.756 3.863 203 HA2 GLY 30 HA2 GLY 30 -16.924 13.934 4.729 204 HA3 GLY 30 HA3 GLY 30 -16.287 15.236 5.727 205 H GLU 31 H GLU 31 -18.481 13.316 6.193 206 HA GLU 31 HA GLU 31 -20.850 14.956 6.291 207 HB2 GLU 31 HB2 GLU 31 -20.195 12.207 7.342 208 HB3 GLU 31 HB3 GLU 31 -21.736 12.996 7.652 209 HG2 GLU 31 HG2 GLU 31 -20.596 12.283 4.957 210 HG3 GLU 31 HG3 GLU 31 -21.933 11.482 5.784 211 H LYS 32 H LYS 32 -21.984 15.319 8.363 212 HA LYS 32 HA LYS 32 -20.114 16.638 10.133 213 HB2 LYS 32 HB2 LYS 32 -23.087 16.711 9.765 214 HB3 LYS 32 HB3 LYS 32 -22.375 17.350 11.240 215 HG2 LYS 32 HG2 LYS 32 -22.723 19.135 9.677 216 HG3 LYS 32 HG3 LYS 32 -20.995 18.874 9.889 217 HD2 LYS 32 HD2 LYS 32 -21.005 18.998 7.632 218 HD3 LYS 32 HD3 LYS 32 -21.424 17.290 7.764 219 HE2 LYS 32 HE2 LYS 32 -23.415 19.543 7.510 220 HE3 LYS 32 HE3 LYS 32 -22.851 18.550 6.171 221 HZ1 LYS 32 HZ1 LYS 32 -23.801 16.608 7.264 222 HZ2 LYS 32 HZ2 LYS 32 -24.346 17.568 8.547 223 HZ3 LYS 32 HZ3 LYS 32 -24.981 17.793 6.995 224 H GLY 33 H GLY 33 -19.514 14.188 10.515 225 HA2 GLY 33 HA2 GLY 33 -20.196 13.712 13.261 226 HA3 GLY 33 HA3 GLY 33 -20.839 12.482 12.180 227 H LYS 34 H LYS 34 -19.548 10.861 11.562 228 HA LYS 34 HA LYS 34 -16.632 11.242 11.736 229 HB2 LYS 34 HB2 LYS 34 -18.039 8.694 12.558 230 HB3 LYS 34 HB3 LYS 34 -16.322 9.038 12.671 231 HG2 LYS 34 HG2 LYS 34 -16.826 10.791 14.342 232 HG3 LYS 34 HG3 LYS 34 -18.525 10.308 14.280 233 HD2 LYS 34 HD2 LYS 34 -17.784 7.986 14.879 234 HD3 LYS 34 HD3 LYS 34 -16.170 8.642 15.156 235 HE2 LYS 34 HE2 LYS 34 -17.331 8.477 17.257 236 HE3 LYS 34 HE3 LYS 34 -17.133 10.178 16.840 237 HZ1 LYS 34 HZ1 LYS 34 -19.607 8.717 16.155 238 HZ2 LYS 34 HZ2 LYS 34 -19.394 9.402 17.693 239 HZ3 LYS 34 HZ3 LYS 34 -19.374 10.392 16.313 240 H LEU 35 H LEU 35 -18.939 8.703 10.832 241 HA LEU 35 HA LEU 35 -17.386 7.821 8.624 242 HB2 LEU 35 HB2 LEU 35 -20.305 7.295 9.189 243 HB3 LEU 35 HB3 LEU 35 -19.273 6.379 8.110 244 HG LEU 35 HG LEU 35 -19.033 6.506 11.116 245 HD11 LEU 35 HD11 LEU 35 -19.864 4.278 9.265 246 HD12 LEU 35 HD12 LEU 35 -19.703 4.168 11.018 247 HD13 LEU 35 HD13 LEU 35 -20.939 5.208 10.309 248 HD21 LEU 35 HD21 LEU 35 -16.840 6.301 10.057 249 HD22 LEU 35 HD22 LEU 35 -17.306 4.797 10.853 250 HD23 LEU 35 HD23 LEU 35 -17.426 4.941 9.099 251 H GLY 36 H GLY 36 -17.234 8.796 6.718 252 HA2 GLY 36 HA2 GLY 36 -18.941 9.125 4.800 253 HA3 GLY 36 HA3 GLY 36 -19.486 10.446 5.818 254 H GLN 37 H GLN 37 -16.394 9.213 4.525 255 HA GLN 37 HA GLN 37 -15.774 11.981 3.745 256 HB2 GLN 37 HB2 GLN 37 -13.822 9.676 3.824 257 HB3 GLN 37 HB3 GLN 37 -13.456 11.393 3.738 258 HG2 GLN 37 HG2 GLN 37 -14.613 9.919 6.092 259 HG3 GLN 37 HG3 GLN 37 -12.969 10.529 5.937 260 HE21 GLN 37 HE21 GLN 37 -15.036 11.085 7.932 261 HE22 GLN 37 HE22 GLN 37 -15.251 12.795 7.924 262 H TYR 38 H TYR 38 -16.159 12.398 1.659 263 HA TYR 38 HA TYR 38 -15.898 10.213 -0.293 264 HB2 TYR 38 HB2 TYR 38 -18.262 12.077 -0.016 265 HB3 TYR 38 HB3 TYR 38 -17.990 11.025 -1.398 266 HD1 TYR 38 HD2 TYR 38 -18.102 8.560 -1.115 267 HD2 TYR 38 HD1 TYR 38 -19.153 11.229 2.023 268 HE1 TYR 38 HE2 TYR 38 -19.273 6.731 0.037 269 HE2 TYR 38 HE1 TYR 38 -20.328 9.410 3.186 270 HH TYR 38 HH TYR 38 -20.061 6.115 2.188 271 H ILE 39 H ILE 39 -15.472 10.842 -2.407 272 HA ILE 39 HA ILE 39 -14.030 13.339 -2.615 273 HB ILE 39 HB ILE 39 -14.495 11.327 -4.815 274 HG12 ILE 39 HG12 ILE 39 -13.597 10.113 -2.909 275 HG13 ILE 39 HG13 ILE 39 -12.354 10.283 -4.140 276 HG21 ILE 39 HG21 ILE 39 -12.294 13.329 -4.336 277 HG22 ILE 39 HG22 ILE 39 -12.369 12.188 -5.678 278 HG23 ILE 39 HG23 ILE 39 -13.583 13.459 -5.533 279 HD11 ILE 39 HD11 ILE 39 -12.605 11.900 -1.616 280 HD12 ILE 39 HD12 ILE 39 -11.436 10.619 -1.933 281 HD13 ILE 39 HD13 ILE 39 -11.367 12.125 -2.854 282 H ARG 40 H ARG 40 -14.759 15.141 -3.515 283 HA ARG 40 HA ARG 40 -17.451 15.240 -4.569 284 HB2 ARG 40 HB2 ARG 40 -15.373 17.286 -3.881 285 HB3 ARG 40 HB3 ARG 40 -16.774 17.733 -4.840 286 HG2 ARG 40 HG2 ARG 40 -16.815 16.558 -2.075 287 HG3 ARG 40 HG3 ARG 40 -17.140 18.239 -2.510 288 HD2 ARG 40 HD2 ARG 40 -18.957 17.246 -4.048 289 HD3 ARG 40 HD3 ARG 40 -18.775 15.792 -3.066 290 HE ARG 40 HE ARG 40 -19.210 18.252 -1.587 291 HH11 ARG 40 HH11 ARG 40 -20.596 15.365 -3.002 292 HH12 ARG 40 HH12 ARG 40 -22.132 15.548 -2.201 293 HH21 ARG 40 HH21 ARG 40 -21.195 18.477 -0.478 294 HH22 ARG 40 HH22 ARG 40 -22.473 17.320 -0.743 295 H LEU 41 H LEU 41 -14.210 16.085 -5.754 296 HA LEU 41 HA LEU 41 -14.995 15.537 -8.473 297 HB2 LEU 41 HB2 LEU 41 -15.850 17.828 -8.088 298 HB3 LEU 41 HB3 LEU 41 -14.236 18.343 -7.642 299 HG LEU 41 HG LEU 41 -13.470 17.783 -9.946 300 HD11 LEU 41 HD11 LEU 41 -16.414 17.381 -10.470 301 HD12 LEU 41 HD12 LEU 41 -15.138 17.418 -11.687 302 HD13 LEU 41 HD13 LEU 41 -15.178 16.123 -10.492 303 HD21 LEU 41 HD21 LEU 41 -14.084 20.068 -9.334 304 HD22 LEU 41 HD22 LEU 41 -14.497 19.720 -11.014 305 HD23 LEU 41 HD23 LEU 41 -15.757 19.740 -9.781 306 H VAL 42 H VAL 42 -13.253 15.255 -9.822 307 HA VAL 42 HA VAL 42 -10.593 15.465 -8.572 308 HB VAL 42 HB VAL 42 -11.520 13.523 -10.707 309 HG11 VAL 42 HG11 VAL 42 -9.196 14.098 -11.030 310 HG12 VAL 42 HG12 VAL 42 -8.853 13.799 -9.325 311 HG13 VAL 42 HG13 VAL 42 -9.316 12.464 -10.380 312 HG21 VAL 42 HG21 VAL 42 -12.441 12.956 -8.529 313 HG22 VAL 42 HG22 VAL 42 -11.193 11.798 -8.989 314 HG23 VAL 42 HG23 VAL 42 -10.835 13.053 -7.804 315 H GLU 43 H GLU 43 -9.176 16.776 -9.546 316 HA GLU 43 HA GLU 43 -9.951 18.396 -11.741 317 HB2 GLU 43 HB2 GLU 43 -8.408 18.977 -9.800 318 HB3 GLU 43 HB3 GLU 43 -7.173 18.040 -10.622 319 HG2 GLU 43 HG2 GLU 43 -7.090 19.544 -12.428 320 HG3 GLU 43 HG3 GLU 43 -8.579 20.340 -11.917 321 HA PRO 44 HA PRO 44 -9.192 15.665 -15.074 322 HB2 PRO 44 HB2 PRO 44 -8.498 17.583 -16.966 323 HB3 PRO 44 HB3 PRO 44 -10.142 17.088 -16.553 324 HG2 PRO 44 HG2 PRO 44 -8.567 19.433 -15.584 325 HG3 PRO 44 HG3 PRO 44 -10.283 19.338 -16.022 326 HD2 PRO 44 HD2 PRO 44 -9.527 19.372 -13.471 327 HD3 PRO 44 HD3 PRO 44 -10.862 18.326 -14.004 328 H GLY 45 H GLY 45 -6.731 18.069 -14.302 329 HA2 GLY 45 HA2 GLY 45 -4.718 16.191 -15.384 330 HA3 GLY 45 HA3 GLY 45 -4.507 17.936 -15.371 331 H SER 46 H SER 46 -5.469 15.494 -12.950 332 HA SER 46 HA SER 46 -3.387 16.616 -11.188 333 HB2 SER 46 HB2 SER 46 -4.843 16.054 -9.286 334 HB3 SER 46 HB3 SER 46 -5.660 17.149 -10.401 335 HG SER 46 HG SER 46 -6.947 15.532 -11.086 336 HA PRO 47 HA PRO 47 -1.724 12.488 -10.582 337 HB2 PRO 47 HB2 PRO 47 -1.753 13.050 -7.673 338 HB3 PRO 47 HB3 PRO 47 -0.400 12.616 -8.722 339 HG2 PRO 47 HG2 PRO 47 -0.666 15.102 -7.794 340 HG3 PRO 47 HG3 PRO 47 -0.084 14.796 -9.442 341 HD2 PRO 47 HD2 PRO 47 -2.804 15.650 -8.519 342 HD3 PRO 47 HD3 PRO 47 -1.865 16.204 -9.922 343 H ALA 48 H ALA 48 -4.545 13.626 -8.931 344 HA ALA 48 HA ALA 48 -5.317 11.324 -7.537 345 HB1 ALA 48 HB1 ALA 48 -7.062 13.459 -8.754 346 HB2 ALA 48 HB2 ALA 48 -7.557 12.297 -7.523 347 HB3 ALA 48 HB3 ALA 48 -6.327 13.506 -7.151 348 H GLU 49 H GLU 49 -6.105 12.390 -10.846 349 HA GLU 49 HA GLU 49 -7.765 10.147 -11.365 350 HB2 GLU 49 HB2 GLU 49 -7.816 10.888 -13.667 351 HB3 GLU 49 HB3 GLU 49 -8.003 12.264 -12.595 352 HG2 GLU 49 HG2 GLU 49 -6.559 13.143 -14.104 353 HG3 GLU 49 HG3 GLU 49 -5.404 12.469 -12.957 354 H LYS 50 H LYS 50 -4.345 10.745 -11.672 355 HA LYS 50 HA LYS 50 -3.641 8.496 -13.216 356 HB2 LYS 50 HB2 LYS 50 -2.140 9.971 -11.054 357 HB3 LYS 50 HB3 LYS 50 -1.439 8.662 -11.985 358 HG2 LYS 50 HG2 LYS 50 -1.755 9.968 -14.038 359 HG3 LYS 50 HG3 LYS 50 -2.417 11.292 -13.072 360 HD2 LYS 50 HD2 LYS 50 -0.031 11.628 -13.603 361 HD3 LYS 50 HD3 LYS 50 -0.318 11.496 -11.866 362 HE2 LYS 50 HE2 LYS 50 0.301 9.077 -12.035 363 HE3 LYS 50 HE3 LYS 50 0.761 9.370 -13.710 364 HZ1 LYS 50 HZ1 LYS 50 1.927 10.824 -11.405 365 HZ2 LYS 50 HZ2 LYS 50 2.614 9.435 -12.088 366 HZ3 LYS 50 HZ3 LYS 50 2.466 10.843 -13.015 367 H ALA 51 H ALA 51 -4.041 8.979 -9.749 368 HA ALA 51 HA ALA 51 -3.201 6.406 -8.959 369 HB1 ALA 51 HB1 ALA 51 -3.980 6.988 -6.789 370 HB2 ALA 51 HB2 ALA 51 -3.313 8.452 -7.511 371 HB3 ALA 51 HB3 ALA 51 -5.063 8.222 -7.437 372 H GLY 52 H GLY 52 -6.264 7.667 -10.054 373 HA2 GLY 52 HA2 GLY 52 -7.807 6.093 -11.084 374 HA3 GLY 52 HA3 GLY 52 -7.372 4.937 -9.831 375 H LEU 53 H LEU 53 -7.544 7.837 -8.375 376 HA LEU 53 HA LEU 53 -9.853 7.357 -6.889 377 HB2 LEU 53 HB2 LEU 53 -7.889 8.861 -6.358 378 HB3 LEU 53 HB3 LEU 53 -8.623 10.050 -7.417 379 HG LEU 53 HG LEU 53 -10.703 9.745 -5.874 380 HD11 LEU 53 HD11 LEU 53 -9.885 7.850 -4.628 381 HD12 LEU 53 HD12 LEU 53 -8.460 8.760 -4.122 382 HD13 LEU 53 HD13 LEU 53 -10.062 9.238 -3.553 383 HD21 LEU 53 HD21 LEU 53 -8.205 11.193 -5.022 384 HD22 LEU 53 HD22 LEU 53 -9.462 11.801 -6.101 385 HD23 LEU 53 HD23 LEU 53 -9.826 11.505 -4.401 386 H LEU 54 H LEU 54 -11.963 7.752 -7.251 387 HA LEU 54 HA LEU 54 -12.667 9.393 -9.596 388 HB2 LEU 54 HB2 LEU 54 -14.165 7.100 -8.324 389 HB3 LEU 54 HB3 LEU 54 -14.783 8.083 -9.638 390 HG LEU 54 HG LEU 54 -12.344 6.305 -9.773 391 HD11 LEU 54 HD11 LEU 54 -13.720 4.958 -11.288 392 HD12 LEU 54 HD12 LEU 54 -14.404 5.032 -9.664 393 HD13 LEU 54 HD13 LEU 54 -15.097 6.009 -10.960 394 HD21 LEU 54 HD21 LEU 54 -13.713 7.930 -11.919 395 HD22 LEU 54 HD22 LEU 54 -12.141 8.283 -11.200 396 HD23 LEU 54 HD23 LEU 54 -12.364 6.820 -12.160 397 H ALA 55 H ALA 55 -14.883 10.415 -9.400 398 HA ALA 55 HA ALA 55 -14.781 12.011 -6.984 399 HB1 ALA 55 HB1 ALA 55 -16.327 13.491 -8.131 400 HB2 ALA 55 HB2 ALA 55 -14.969 13.081 -9.179 401 HB3 ALA 55 HB3 ALA 55 -16.535 12.301 -9.417 402 H GLY 56 H GLY 56 -15.614 9.431 -6.422 403 HA2 GLY 56 HA2 GLY 56 -18.003 10.017 -4.969 404 HA3 GLY 56 HA3 GLY 56 -18.311 8.904 -6.294 405 H ASP 57 H ASP 57 -15.206 8.806 -4.810 406 HA ASP 57 HA ASP 57 -15.740 6.094 -3.929 407 HB2 ASP 57 HB2 ASP 57 -13.216 7.725 -4.182 408 HB3 ASP 57 HB3 ASP 57 -13.238 6.150 -3.393 409 H ARG 58 H ARG 58 -15.282 5.316 -1.864 410 HA ARG 58 HA ARG 58 -15.525 7.296 0.271 411 HB2 ARG 58 HB2 ARG 58 -17.059 5.422 0.421 412 HB3 ARG 58 HB3 ARG 58 -15.735 4.275 0.280 413 HG2 ARG 58 HG2 ARG 58 -14.847 5.160 2.451 414 HG3 ARG 58 HG3 ARG 58 -16.332 6.106 2.598 415 HD2 ARG 58 HD2 ARG 58 -17.638 4.017 2.461 416 HD3 ARG 58 HD3 ARG 58 -16.131 3.103 2.399 417 HE ARG 58 HE ARG 58 -15.888 4.550 4.683 418 HH11 ARG 58 HH11 ARG 58 -18.251 2.308 3.436 419 HH12 ARG 58 HH12 ARG 58 -18.832 1.842 4.996 420 HH21 ARG 58 HH21 ARG 58 -16.638 3.896 6.787 421 HH22 ARG 58 HH22 ARG 58 -17.946 2.743 6.874 422 H LEU 59 H LEU 59 -13.700 8.080 1.057 423 HA LEU 59 HA LEU 59 -11.196 6.696 0.813 424 HB2 LEU 59 HB2 LEU 59 -11.304 9.139 0.719 425 HB3 LEU 59 HB3 LEU 59 -11.947 9.190 2.350 426 HG LEU 59 HG LEU 59 -9.832 8.308 3.224 427 HD11 LEU 59 HD11 LEU 59 -7.882 8.118 1.753 428 HD12 LEU 59 HD12 LEU 59 -9.147 6.969 1.314 429 HD13 LEU 59 HD13 LEU 59 -8.911 8.432 0.355 430 HD21 LEU 59 HD21 LEU 59 -8.454 10.274 2.774 431 HD22 LEU 59 HD22 LEU 59 -9.494 10.690 1.411 432 HD23 LEU 59 HD23 LEU 59 -10.139 10.716 3.052 433 H VAL 60 H VAL 60 -10.703 5.020 2.062 434 HA VAL 60 HA VAL 60 -12.093 4.666 4.596 435 HB VAL 60 HB VAL 60 -10.184 2.810 3.161 436 HG11 VAL 60 HG11 VAL 60 -12.038 2.306 5.484 437 HG12 VAL 60 HG12 VAL 60 -11.086 1.081 4.642 438 HG13 VAL 60 HG13 VAL 60 -10.277 2.361 5.547 439 HG21 VAL 60 HG21 VAL 60 -13.199 2.832 3.249 440 HG22 VAL 60 HG22 VAL 60 -12.188 3.200 1.851 441 HG23 VAL 60 HG23 VAL 60 -12.205 1.569 2.520 442 H GLU 61 H GLU 61 -8.699 4.548 3.471 443 HA GLU 61 HA GLU 61 -7.916 5.634 6.061 444 HB2 GLU 61 HB2 GLU 61 -6.150 3.994 6.376 445 HB3 GLU 61 HB3 GLU 61 -7.719 3.207 6.308 446 HG2 GLU 61 HG2 GLU 61 -7.307 2.362 4.148 447 HG3 GLU 61 HG3 GLU 61 -5.897 3.398 3.933 448 H VAL 62 H VAL 62 -5.715 6.408 6.126 449 HA VAL 62 HA VAL 62 -4.678 7.158 3.473 450 HB VAL 62 HB VAL 62 -4.968 8.944 5.901 451 HG11 VAL 62 HG11 VAL 62 -3.839 10.682 4.606 452 HG12 VAL 62 HG12 VAL 62 -2.778 9.297 4.864 453 HG13 VAL 62 HG13 VAL 62 -3.555 9.533 3.299 454 HG21 VAL 62 HG21 VAL 62 -6.980 8.746 4.555 455 HG22 VAL 62 HG22 VAL 62 -6.279 10.354 4.381 456 HG23 VAL 62 HG23 VAL 62 -6.072 9.156 3.103 457 H ASN 63 H ASN 63 -2.817 6.142 3.269 458 HA ASN 63 HA ASN 63 -0.678 5.484 3.614 459 HB2 ASN 63 HB2 ASN 63 -0.944 8.039 4.981 460 HB3 ASN 63 HB3 ASN 63 0.330 7.043 5.671 461 HD21 ASN 63 HD21 ASN 63 1.905 8.470 4.932 462 HD22 ASN 63 HD22 ASN 63 2.366 8.530 3.263 463 H GLY 64 H GLY 64 -2.662 4.019 5.084 464 HA2 GLY 64 HA2 GLY 64 -1.927 1.999 6.172 465 HA3 GLY 64 HA3 GLY 64 -0.771 2.960 7.075 466 H GLU 65 H GLU 65 -3.137 4.967 7.463 467 HA GLU 65 HA GLU 65 -4.307 3.432 9.689 468 HB2 GLU 65 HB2 GLU 65 -4.324 5.456 11.036 469 HB3 GLU 65 HB3 GLU 65 -2.692 5.074 10.511 470 HG2 GLU 65 HG2 GLU 65 -2.875 6.779 8.758 471 HG3 GLU 65 HG3 GLU 65 -4.493 7.178 9.338 472 H ASN 66 H ASN 66 -6.423 3.594 10.082 473 HA ASN 66 HA ASN 66 -8.145 4.254 7.941 474 HB2 ASN 66 HB2 ASN 66 -8.519 2.476 9.706 475 HB3 ASN 66 HB3 ASN 66 -8.920 3.769 10.828 476 HD21 ASN 66 HD21 ASN 66 -10.860 4.900 10.576 477 HD22 ASN 66 HD22 ASN 66 -12.148 4.286 9.573 478 H VAL 67 H VAL 67 -9.424 6.044 7.572 479 HA VAL 67 HA VAL 67 -9.190 8.219 9.541 480 HB VAL 67 HB VAL 67 -9.011 9.859 7.719 481 HG11 VAL 67 HG11 VAL 67 -6.873 7.734 7.661 482 HG12 VAL 67 HG12 VAL 67 -6.691 9.393 7.092 483 HG13 VAL 67 HG13 VAL 67 -6.983 9.075 8.802 484 HG21 VAL 67 HG21 VAL 67 -10.105 8.511 5.973 485 HG22 VAL 67 HG22 VAL 67 -8.556 9.163 5.445 486 HG23 VAL 67 HG23 VAL 67 -8.687 7.467 5.910 487 H GLU 68 H GLU 68 -11.339 6.310 7.854 488 HA GLU 68 HA GLU 68 -13.221 8.400 7.246 489 HB2 GLU 68 HB2 GLU 68 -14.743 6.509 6.597 490 HB3 GLU 68 HB3 GLU 68 -13.245 6.650 5.695 491 HG2 GLU 68 HG2 GLU 68 -13.479 4.385 6.056 492 HG3 GLU 68 HG3 GLU 68 -12.328 4.882 7.293 493 H LYS 69 H LYS 69 -12.375 7.060 10.078 494 HA LYS 69 HA LYS 69 -15.040 7.524 11.223 495 HB2 LYS 69 HB2 LYS 69 -12.740 5.902 12.228 496 HB3 LYS 69 HB3 LYS 69 -14.093 6.377 13.251 497 HG2 LYS 69 HG2 LYS 69 -15.628 5.285 11.673 498 HG3 LYS 69 HG3 LYS 69 -14.233 4.734 10.742 499 HD2 LYS 69 HD2 LYS 69 -13.407 3.602 12.751 500 HD3 LYS 69 HD3 LYS 69 -14.881 4.063 13.594 501 HE2 LYS 69 HE2 LYS 69 -15.073 1.782 12.774 502 HE3 LYS 69 HE3 LYS 69 -16.206 2.834 11.930 503 HZ1 LYS 69 HZ1 LYS 69 -14.424 2.996 10.148 504 HZ2 LYS 69 HZ2 LYS 69 -13.675 1.680 10.917 505 HZ3 LYS 69 HZ3 LYS 69 -15.237 1.511 10.284 506 H GLU 70 H GLU 70 -12.503 9.224 10.483 507 HA GLU 70 HA GLU 70 -11.994 10.521 13.050 508 HB2 GLU 70 HB2 GLU 70 -10.824 11.089 10.321 509 HB3 GLU 70 HB3 GLU 70 -10.251 11.729 11.854 510 HG2 GLU 70 HG2 GLU 70 -10.281 8.804 11.184 511 HG3 GLU 70 HG3 GLU 70 -8.906 9.863 10.888 512 H THR 71 H THR 71 -11.724 13.046 12.726 513 HA THR 71 HA THR 71 -14.250 14.108 11.862 514 HB THR 71 HB THR 71 -13.449 16.261 12.578 515 HG1 THR 71 HG1 THR 71 -11.125 16.328 13.319 516 HG21 THR 71 HG21 THR 71 -12.697 15.820 14.872 517 HG22 THR 71 HG22 THR 71 -14.012 14.740 14.408 518 HG23 THR 71 HG23 THR 71 -12.352 14.146 14.437 519 H HIS 72 H HIS 72 -14.425 15.803 10.183 520 HA HIS 72 HA HIS 72 -13.243 15.105 7.758 521 HB2 HIS 72 HB2 HIS 72 -15.295 16.400 7.814 522 HB3 HIS 72 HB3 HIS 72 -14.476 17.737 8.611 523 HD1 HIS 72 HD1 HIS 72 -14.283 15.870 5.294 524 HD2 HIS 72 HD2 HIS 72 -13.632 19.654 6.898 525 HE1 HIS 72 HE1 HIS 72 -13.706 17.348 3.339 526 HE2 HIS 72 HE2 HIS 72 -13.216 19.611 4.343 527 H GLN 73 H GLN 73 -12.275 17.455 10.179 528 HA GLN 73 HA GLN 73 -10.232 18.732 8.704 529 HB2 GLN 73 HB2 GLN 73 -11.328 19.553 10.827 530 HB3 GLN 73 HB3 GLN 73 -10.352 18.382 11.701 531 HG2 GLN 73 HG2 GLN 73 -9.282 20.491 11.863 532 HG3 GLN 73 HG3 GLN 73 -8.323 19.488 10.777 533 HE21 GLN 73 HE21 GLN 73 -10.475 22.208 11.019 534 HE22 GLN 73 HE22 GLN 73 -10.132 22.878 9.462 535 H GLN 74 H GLN 74 -10.187 15.966 10.942 536 HA GLN 74 HA GLN 74 -7.382 15.657 11.010 537 HB2 GLN 74 HB2 GLN 74 -9.639 13.752 11.578 538 HB3 GLN 74 HB3 GLN 74 -7.959 13.250 11.685 539 HG2 GLN 74 HG2 GLN 74 -9.374 15.331 13.322 540 HG3 GLN 74 HG3 GLN 74 -8.682 13.805 13.869 541 HE21 GLN 74 HE21 GLN 74 -8.094 17.088 13.082 542 HE22 GLN 74 HE22 GLN 74 -6.430 17.134 13.546 543 H VAL 75 H VAL 75 -9.862 14.296 8.909 544 HA VAL 75 HA VAL 75 -8.237 12.443 7.559 545 HB VAL 75 HB VAL 75 -10.597 13.938 6.400 546 HG11 VAL 75 HG11 VAL 75 -10.848 11.987 4.964 547 HG12 VAL 75 HG12 VAL 75 -9.255 12.716 4.753 548 HG13 VAL 75 HG13 VAL 75 -9.432 11.243 5.708 549 HG21 VAL 75 HG21 VAL 75 -10.551 11.370 7.983 550 HG22 VAL 75 HG22 VAL 75 -11.207 12.916 8.521 551 HG23 VAL 75 HG23 VAL 75 -11.961 12.059 7.176 552 H VAL 76 H VAL 76 -9.123 15.780 6.710 553 HA VAL 76 HA VAL 76 -7.692 15.875 4.288 554 HB VAL 76 HB VAL 76 -8.463 18.157 6.121 555 HG11 VAL 76 HG11 VAL 76 -7.717 18.215 3.198 556 HG12 VAL 76 HG12 VAL 76 -8.251 19.590 4.164 557 HG13 VAL 76 HG13 VAL 76 -6.713 18.803 4.524 558 HG21 VAL 76 HG21 VAL 76 -10.379 16.838 5.401 559 HG22 VAL 76 HG22 VAL 76 -10.382 18.421 4.624 560 HG23 VAL 76 HG23 VAL 76 -9.872 16.996 3.720 561 H SER 77 H SER 77 -6.780 16.711 7.594 562 HA SER 77 HA SER 77 -4.330 17.948 7.044 563 HB2 SER 77 HB2 SER 77 -5.147 16.360 9.489 564 HB3 SER 77 HB3 SER 77 -3.783 17.475 9.404 565 HG SER 77 HG SER 77 -6.535 18.123 9.062 566 H ARG 78 H ARG 78 -5.094 14.536 7.670 567 HA ARG 78 HA ARG 78 -2.412 13.649 7.652 568 HB2 ARG 78 HB2 ARG 78 -4.989 12.164 7.174 569 HB3 ARG 78 HB3 ARG 78 -3.417 11.385 7.320 570 HG2 ARG 78 HG2 ARG 78 -3.184 12.353 9.568 571 HG3 ARG 78 HG3 ARG 78 -4.800 13.035 9.416 572 HD2 ARG 78 HD2 ARG 78 -5.788 10.872 9.289 573 HD3 ARG 78 HD3 ARG 78 -4.207 10.098 9.164 574 HE ARG 78 HE ARG 78 -3.814 10.649 11.466 575 HH11 ARG 78 HH11 ARG 78 -7.073 11.266 10.363 576 HH12 ARG 78 HH12 ARG 78 -7.775 11.113 11.946 577 HH21 ARG 78 HH21 ARG 78 -4.743 10.490 13.563 578 HH22 ARG 78 HH22 ARG 78 -6.461 10.677 13.748 579 H ILE 79 H ILE 79 -4.831 13.948 5.091 580 HA ILE 79 HA ILE 79 -3.368 12.593 3.092 581 HB ILE 79 HB ILE 79 -5.338 14.854 2.689 582 HG12 ILE 79 HG12 ILE 79 -5.854 11.872 2.739 583 HG13 ILE 79 HG13 ILE 79 -6.244 12.975 4.056 584 HG21 ILE 79 HG21 ILE 79 -5.683 13.846 0.485 585 HG22 ILE 79 HG22 ILE 79 -4.005 14.343 0.711 586 HG23 ILE 79 HG23 ILE 79 -4.446 12.640 0.843 587 HD11 ILE 79 HD11 ILE 79 -7.787 14.172 2.601 588 HD12 ILE 79 HD12 ILE 79 -7.390 13.079 1.275 589 HD13 ILE 79 HD13 ILE 79 -8.203 12.462 2.714 590 H ARG 80 H ARG 80 -3.575 16.031 3.959 591 HA ARG 80 HA ARG 80 -1.863 16.952 1.903 592 HB2 ARG 80 HB2 ARG 80 -2.714 18.178 4.519 593 HB3 ARG 80 HB3 ARG 80 -1.668 19.009 3.378 594 HG2 ARG 80 HG2 ARG 80 -3.429 18.849 1.675 595 HG3 ARG 80 HG3 ARG 80 -4.480 18.066 2.857 596 HD2 ARG 80 HD2 ARG 80 -4.431 20.036 4.255 597 HD3 ARG 80 HD3 ARG 80 -3.270 20.807 3.178 598 HE ARG 80 HE ARG 80 -5.312 20.370 1.517 599 HH11 ARG 80 HH11 ARG 80 -5.232 21.697 4.757 600 HH12 ARG 80 HH12 ARG 80 -6.607 22.738 4.497 601 HH21 ARG 80 HH21 ARG 80 -7.102 21.755 1.165 602 HH22 ARG 80 HH22 ARG 80 -7.654 22.775 2.457 603 H ALA 81 H ALA 81 -1.264 15.528 4.982 604 HA ALA 81 HA ALA 81 1.205 16.708 5.619 605 HB1 ALA 81 HB1 ALA 81 -0.230 15.508 7.220 606 HB2 ALA 81 HB2 ALA 81 0.214 13.988 6.443 607 HB3 ALA 81 HB3 ALA 81 1.446 14.956 7.253 608 H ALA 82 H ALA 82 0.463 14.322 3.267 609 HA ALA 82 HA ALA 82 2.982 12.999 3.232 610 HB1 ALA 82 HB1 ALA 82 0.965 13.301 1.010 611 HB2 ALA 82 HB2 ALA 82 2.303 12.150 1.056 612 HB3 ALA 82 HB3 ALA 82 0.985 12.019 2.220 613 H LEU 83 H LEU 83 4.857 13.583 2.330 614 HA LEU 83 HA LEU 83 5.029 16.324 1.403 615 HB2 LEU 83 HB2 LEU 83 7.163 14.307 2.077 616 HB3 LEU 83 HB3 LEU 83 7.466 15.982 1.657 617 HG LEU 83 HG LEU 83 5.870 15.084 4.059 618 HD11 LEU 83 HD11 LEU 83 7.806 15.729 5.373 619 HD12 LEU 83 HD12 LEU 83 8.222 14.443 4.241 620 HD13 LEU 83 HD13 LEU 83 8.699 16.106 3.900 621 HD21 LEU 83 HD21 LEU 83 6.135 17.423 4.770 622 HD22 LEU 83 HD22 LEU 83 6.907 17.788 3.226 623 HD23 LEU 83 HD23 LEU 83 5.219 17.281 3.269 624 H ASN 84 H ASN 84 5.119 13.161 0.030 625 HA ASN 84 HA ASN 84 5.906 14.355 -2.534 626 HB2 ASN 84 HB2 ASN 84 7.898 13.267 -1.664 627 HB3 ASN 84 HB3 ASN 84 6.996 11.778 -1.407 628 HD21 ASN 84 HD21 ASN 84 6.628 10.420 -3.099 629 HD22 ASN 84 HD22 ASN 84 7.263 10.669 -4.687 630 H ALA 85 H ALA 85 4.562 11.481 -0.936 631 HA ALA 85 HA ALA 85 2.446 11.379 -2.909 632 HB1 ALA 85 HB1 ALA 85 4.205 10.131 -4.045 633 HB2 ALA 85 HB2 ALA 85 4.368 9.066 -2.650 634 HB3 ALA 85 HB3 ALA 85 2.874 9.070 -3.587 635 H VAL 86 H VAL 86 0.619 10.510 -2.097 636 HA VAL 86 HA VAL 86 0.818 9.232 0.551 637 HB VAL 86 HB VAL 86 -0.132 11.525 0.669 638 HG11 VAL 86 HG11 VAL 86 -2.377 11.961 -0.214 639 HG12 VAL 86 HG12 VAL 86 -1.208 11.648 -1.497 640 HG13 VAL 86 HG13 VAL 86 -2.352 10.392 -1.022 641 HG21 VAL 86 HG21 VAL 86 -2.100 10.950 2.005 642 HG22 VAL 86 HG22 VAL 86 -2.079 9.322 1.328 643 HG23 VAL 86 HG23 VAL 86 -0.745 9.874 2.341 644 H ARG 87 H ARG 87 -0.369 7.382 0.876 645 HA ARG 87 HA ARG 87 -1.721 6.353 -1.513 646 HB2 ARG 87 HB2 ARG 87 -0.609 4.938 0.907 647 HB3 ARG 87 HB3 ARG 87 -1.618 4.136 -0.288 648 HG2 ARG 87 HG2 ARG 87 0.462 3.601 -1.064 649 HG3 ARG 87 HG3 ARG 87 0.151 5.081 -1.972 650 HD2 ARG 87 HD2 ARG 87 2.353 5.275 -1.140 651 HD3 ARG 87 HD3 ARG 87 1.357 6.312 -0.120 652 HE ARG 87 HE ARG 87 1.752 3.622 0.866 653 HH11 ARG 87 HH11 ARG 87 2.926 6.919 0.874 654 HH12 ARG 87 HH12 ARG 87 3.786 6.752 2.374 655 HH21 ARG 87 HH21 ARG 87 2.886 3.376 2.830 656 HH22 ARG 87 HH22 ARG 87 3.753 4.734 3.496 657 H LEU 88 H LEU 88 -3.776 6.760 -1.575 658 HA LEU 88 HA LEU 88 -5.351 6.814 0.903 659 HB2 LEU 88 HB2 LEU 88 -6.163 7.697 -1.871 660 HB3 LEU 88 HB3 LEU 88 -7.031 7.995 -0.378 661 HG LEU 88 HG LEU 88 -4.386 9.206 -1.191 662 HD11 LEU 88 HD11 LEU 88 -5.643 11.301 -1.182 663 HD12 LEU 88 HD12 LEU 88 -6.306 10.152 -2.345 664 HD13 LEU 88 HD13 LEU 88 -7.120 10.415 -0.803 665 HD21 LEU 88 HD21 LEU 88 -5.987 9.577 1.342 666 HD22 LEU 88 HD22 LEU 88 -4.417 8.788 1.210 667 HD23 LEU 88 HD23 LEU 88 -4.565 10.513 0.880 668 H LEU 89 H LEU 89 -6.488 5.016 1.369 669 HA LEU 89 HA LEU 89 -6.989 3.077 -0.741 670 HB2 LEU 89 HB2 LEU 89 -6.229 2.353 1.519 671 HB3 LEU 89 HB3 LEU 89 -7.744 2.942 2.180 672 HG LEU 89 HG LEU 89 -8.922 1.337 0.624 673 HD11 LEU 89 HD11 LEU 89 -6.123 0.269 0.314 674 HD12 LEU 89 HD12 LEU 89 -7.594 -0.550 -0.209 675 HD13 LEU 89 HD13 LEU 89 -7.124 0.979 -0.952 676 HD21 LEU 89 HD21 LEU 89 -7.081 0.149 2.692 677 HD22 LEU 89 HD22 LEU 89 -8.642 0.907 3.007 678 HD23 LEU 89 HD23 LEU 89 -8.559 -0.579 2.064 679 H VAL 90 H VAL 90 -8.837 2.944 -1.821 680 HA VAL 90 HA VAL 90 -11.231 4.193 -0.686 681 HB VAL 90 HB VAL 90 -11.749 5.196 -2.946 682 HG11 VAL 90 HG11 VAL 90 -10.351 7.186 -2.583 683 HG12 VAL 90 HG12 VAL 90 -11.048 6.579 -1.080 684 HG13 VAL 90 HG13 VAL 90 -9.353 6.266 -1.456 685 HG21 VAL 90 HG21 VAL 90 -8.812 4.666 -3.424 686 HG22 VAL 90 HG22 VAL 90 -10.160 3.947 -4.304 687 HG23 VAL 90 HG23 VAL 90 -9.844 5.679 -4.436 688 H VAL 91 H VAL 91 -13.185 3.452 -1.540 689 HA VAL 91 HA VAL 91 -13.162 1.284 -3.465 690 HB VAL 91 HB VAL 91 -12.754 0.210 -1.239 691 HG11 VAL 91 HG11 VAL 91 -13.988 1.739 0.180 692 HG12 VAL 91 HG12 VAL 91 -15.503 1.259 -0.584 693 HG13 VAL 91 HG13 VAL 91 -14.592 0.094 0.379 694 HG21 VAL 91 HG21 VAL 91 -13.827 -1.032 -3.042 695 HG22 VAL 91 HG22 VAL 91 -14.448 -1.527 -1.466 696 HG23 VAL 91 HG23 VAL 91 -15.405 -0.464 -2.500 697 H ASP 92 H ASP 92 -15.268 0.893 -4.360 698 HA ASP 92 HA ASP 92 -17.083 3.073 -4.343 699 HB2 ASP 92 HB2 ASP 92 -17.403 0.210 -5.270 700 HB3 ASP 92 HB3 ASP 92 -18.649 1.432 -5.478 701 HA PRO 93 HA PRO 93 -18.993 2.277 -0.408 702 HB2 PRO 93 HB2 PRO 93 -21.216 3.854 -1.577 703 HB3 PRO 93 HB3 PRO 93 -20.311 4.120 -0.084 704 HG2 PRO 93 HG2 PRO 93 -19.909 5.666 -2.220 705 HG3 PRO 93 HG3 PRO 93 -18.561 5.177 -1.175 706 HD2 PRO 93 HD2 PRO 93 -19.356 4.123 -3.860 707 HD3 PRO 93 HD3 PRO 93 -17.735 4.417 -3.197 708 H GLU 94 H GLU 94 -20.537 1.726 -3.482 709 HA GLU 94 HA GLU 94 -22.736 0.203 -2.502 710 HB2 GLU 94 HB2 GLU 94 -21.470 0.098 -5.243 711 HB3 GLU 94 HB3 GLU 94 -23.117 -0.354 -4.816 712 HG2 GLU 94 HG2 GLU 94 -23.654 1.938 -4.287 713 HG3 GLU 94 HG3 GLU 94 -21.986 2.424 -4.585 714 H THR 95 H THR 95 -19.557 -0.599 -3.848 715 HA THR 95 HA THR 95 -19.795 -3.414 -3.467 716 HB THR 95 HB THR 95 -17.247 -1.795 -3.687 717 HG1 THR 95 HG1 THR 95 -17.545 -1.780 -5.841 718 HG21 THR 95 HG21 THR 95 -16.331 -3.858 -4.657 719 HG22 THR 95 HG22 THR 95 -16.916 -4.129 -3.017 720 HG23 THR 95 HG23 THR 95 -17.875 -4.668 -4.394 721 H ASP 96 H ASP 96 -18.867 -0.731 -1.503 722 HA ASP 96 HA ASP 96 -17.276 -1.919 0.447 723 HB2 ASP 96 HB2 ASP 96 -17.448 0.461 0.309 724 HB3 ASP 96 HB3 ASP 96 -19.190 0.412 0.546 725 H GLU 97 H GLU 97 -20.813 -1.540 0.341 726 HA GLU 97 HA GLU 97 -21.384 -2.708 2.814 727 HB2 GLU 97 HB2 GLU 97 -23.078 -1.514 1.515 728 HB3 GLU 97 HB3 GLU 97 -23.023 -2.756 0.272 729 HG2 GLU 97 HG2 GLU 97 -23.916 -4.386 1.797 730 HG3 GLU 97 HG3 GLU 97 -23.862 -3.227 3.122 731 H GLN 98 H GLN 98 -20.922 -4.173 -0.371 732 HA GLN 98 HA GLN 98 -21.498 -6.831 0.359 733 HB2 GLN 98 HB2 GLN 98 -21.319 -6.012 -1.987 734 HB3 GLN 98 HB3 GLN 98 -19.579 -5.873 -1.773 735 HG2 GLN 98 HG2 GLN 98 -20.057 -7.899 -2.941 736 HG3 GLN 98 HG3 GLN 98 -19.486 -8.304 -1.322 737 HE21 GLN 98 HE21 GLN 98 -22.185 -8.251 -3.489 738 HE22 GLN 98 HE22 GLN 98 -23.223 -9.271 -2.545 739 H LEU 99 H LEU 99 -18.547 -4.908 0.463 740 HA LEU 99 HA LEU 99 -16.752 -6.986 1.071 741 HB2 LEU 99 HB2 LEU 99 -16.583 -4.110 1.965 742 HB3 LEU 99 HB3 LEU 99 -15.260 -5.257 1.903 743 HG LEU 99 HG LEU 99 -16.566 -3.748 -0.300 744 HD11 LEU 99 HD11 LEU 99 -13.765 -4.577 0.381 745 HD12 LEU 99 HD12 LEU 99 -14.212 -3.620 -1.032 746 HD13 LEU 99 HD13 LEU 99 -14.482 -2.981 0.590 747 HD21 LEU 99 HD21 LEU 99 -15.698 -5.286 -1.980 748 HD22 LEU 99 HD22 LEU 99 -15.208 -6.412 -0.715 749 HD23 LEU 99 HD23 LEU 99 -16.919 -6.071 -0.980 750 H GLN 100 H GLN 100 -18.605 -4.796 3.150 751 HA GLN 100 HA GLN 100 -17.764 -5.808 5.626 752 HB2 GLN 100 HB2 GLN 100 -20.335 -4.469 4.789 753 HB3 GLN 100 HB3 GLN 100 -19.964 -4.873 6.460 754 HG2 GLN 100 HG2 GLN 100 -18.249 -3.109 4.733 755 HG3 GLN 100 HG3 GLN 100 -19.490 -2.514 5.832 756 HE21 GLN 100 HE21 GLN 100 -18.946 -4.543 7.844 757 HE22 GLN 100 HE22 GLN 100 -17.454 -4.093 8.594 758 H LYS 101 H LYS 101 -20.246 -6.863 3.392 759 HA LYS 101 HA LYS 101 -21.486 -8.778 5.050 760 HB2 LYS 101 HB2 LYS 101 -21.243 -8.561 2.048 761 HB3 LYS 101 HB3 LYS 101 -22.181 -9.817 2.841 762 HG2 LYS 101 HG2 LYS 101 -22.661 -6.869 3.219 763 HG3 LYS 101 HG3 LYS 101 -23.521 -7.880 2.057 764 HD2 LYS 101 HD2 LYS 101 -23.470 -8.268 5.049 765 HD3 LYS 101 HD3 LYS 101 -24.817 -7.612 4.113 766 HE2 LYS 101 HE2 LYS 101 -25.022 -9.718 2.912 767 HE3 LYS 101 HE3 LYS 101 -23.644 -10.371 3.795 768 HZ1 LYS 101 HZ1 LYS 101 -24.930 -10.092 5.856 769 HZ2 LYS 101 HZ2 LYS 101 -26.267 -9.582 4.945 770 HZ3 LYS 101 HZ3 LYS 101 -25.671 -11.161 4.763 771 H LEU 102 H LEU 102 -18.743 -9.021 2.804 772 HA LEU 102 HA LEU 102 -18.501 -11.857 3.180 773 HB2 LEU 102 HB2 LEU 102 -16.373 -10.051 2.058 774 HB3 LEU 102 HB3 LEU 102 -16.588 -11.765 1.777 775 HG LEU 102 HG LEU 102 -18.156 -9.472 0.629 776 HD11 LEU 102 HD11 LEU 102 -17.593 -10.506 -1.483 777 HD12 LEU 102 HD12 LEU 102 -16.129 -10.237 -0.535 778 HD13 LEU 102 HD13 LEU 102 -16.820 -11.853 -0.646 779 HD21 LEU 102 HD21 LEU 102 -18.965 -12.377 0.567 780 HD22 LEU 102 HD22 LEU 102 -19.801 -11.088 1.434 781 HD23 LEU 102 HD23 LEU 102 -19.730 -11.063 -0.328 782 H GLY 103 H GLY 103 -16.788 -8.997 4.375 783 HA2 GLY 103 HA2 GLY 103 -15.978 -8.708 6.527 784 HA3 GLY 103 HA3 GLY 103 -16.310 -10.398 6.854 785 H VAL 104 H VAL 104 -14.555 -10.348 4.068 786 HA VAL 104 HA VAL 104 -12.265 -11.460 5.308 787 HB VAL 104 HB VAL 104 -12.538 -10.444 2.469 788 HG11 VAL 104 HG11 VAL 104 -10.738 -12.024 1.958 789 HG12 VAL 104 HG12 VAL 104 -10.218 -10.800 3.116 790 HG13 VAL 104 HG13 VAL 104 -10.610 -12.428 3.670 791 HG21 VAL 104 HG21 VAL 104 -13.077 -13.179 3.623 792 HG22 VAL 104 HG22 VAL 104 -14.275 -12.061 2.968 793 HG23 VAL 104 HG23 VAL 104 -13.067 -12.781 1.905 794 H GLN 105 H GLN 105 -10.300 -10.630 5.784 795 HA GLN 105 HA GLN 105 -10.135 -7.783 6.152 796 HB2 GLN 105 HB2 GLN 105 -8.122 -9.958 6.745 797 HB3 GLN 105 HB3 GLN 105 -7.979 -8.283 7.252 798 HG2 GLN 105 HG2 GLN 105 -8.765 -9.281 9.156 799 HG3 GLN 105 HG3 GLN 105 -10.259 -8.718 8.413 800 HE21 GLN 105 HE21 GLN 105 -11.744 -10.192 7.674 801 HE22 GLN 105 HE22 GLN 105 -11.622 -11.892 7.995 802 H VAL 106 H VAL 106 -10.321 -7.882 3.598 803 HA VAL 106 HA VAL 106 -7.840 -8.362 2.204 804 HB VAL 106 HB VAL 106 -10.157 -8.832 1.302 805 HG11 VAL 106 HG11 VAL 106 -11.338 -6.980 0.212 806 HG12 VAL 106 HG12 VAL 106 -11.252 -6.777 1.962 807 HG13 VAL 106 HG13 VAL 106 -10.186 -5.843 0.912 808 HG21 VAL 106 HG21 VAL 106 -8.252 -8.915 -0.163 809 HG22 VAL 106 HG22 VAL 106 -9.596 -8.140 -1.007 810 HG23 VAL 106 HG23 VAL 106 -8.278 -7.161 -0.361 811 H ARG 107 H ARG 107 -8.790 -5.825 4.089 812 HA ARG 107 HA ARG 107 -8.407 -3.650 2.280 813 HB2 ARG 107 HB2 ARG 107 -8.297 -3.545 5.291 814 HB3 ARG 107 HB3 ARG 107 -8.551 -2.198 4.196 815 HG2 ARG 107 HG2 ARG 107 -10.693 -3.234 3.498 816 HG3 ARG 107 HG3 ARG 107 -10.441 -4.474 4.735 817 HD2 ARG 107 HD2 ARG 107 -10.955 -1.540 5.072 818 HD3 ARG 107 HD3 ARG 107 -11.778 -2.908 5.824 819 HE ARG 107 HE ARG 107 -9.306 -3.145 6.824 820 HH11 ARG 107 HH11 ARG 107 -11.493 -0.412 6.652 821 HH12 ARG 107 HH12 ARG 107 -10.766 0.418 7.990 822 HH21 ARG 107 HH21 ARG 107 -8.318 -2.054 8.544 823 HH22 ARG 107 HH22 ARG 107 -8.961 -0.523 9.074 824 H GLU 108 H GLU 108 -6.317 -5.142 4.758 825 HA GLU 108 HA GLU 108 -4.310 -3.101 4.101 826 HB2 GLU 108 HB2 GLU 108 -4.470 -4.795 6.590 827 HB3 GLU 108 HB3 GLU 108 -3.389 -3.437 6.304 828 HG2 GLU 108 HG2 GLU 108 -4.938 -2.273 7.415 829 HG3 GLU 108 HG3 GLU 108 -5.767 -2.260 5.858 830 H GLU 109 H GLU 109 -4.294 -6.525 5.185 831 HA GLU 109 HA GLU 109 -1.579 -6.834 4.496 832 HB2 GLU 109 HB2 GLU 109 -3.698 -8.906 5.055 833 HB3 GLU 109 HB3 GLU 109 -2.000 -9.292 4.790 834 HG2 GLU 109 HG2 GLU 109 -1.535 -7.622 6.684 835 HG3 GLU 109 HG3 GLU 109 -3.251 -7.777 7.053 836 H LEU 110 H LEU 110 -4.495 -7.242 2.641 837 HA LEU 110 HA LEU 110 -3.329 -8.678 0.489 838 HB2 LEU 110 HB2 LEU 110 -5.793 -8.385 0.962 839 HB3 LEU 110 HB3 LEU 110 -5.651 -6.752 0.356 840 HG LEU 110 HG LEU 110 -6.588 -8.566 -1.205 841 HD11 LEU 110 HD11 LEU 110 -4.341 -6.797 -2.141 842 HD12 LEU 110 HD12 LEU 110 -5.566 -7.538 -3.171 843 HD13 LEU 110 HD13 LEU 110 -6.034 -6.338 -1.967 844 HD21 LEU 110 HD21 LEU 110 -4.946 -9.833 -2.470 845 HD22 LEU 110 HD22 LEU 110 -3.647 -9.180 -1.470 846 HD23 LEU 110 HD23 LEU 110 -4.862 -10.245 -0.758 847 H LEU 111 H LEU 111 -3.433 -5.300 1.398 848 HA LEU 111 HA LEU 111 -2.376 -4.260 -1.031 849 HB2 LEU 111 HB2 LEU 111 -2.400 -3.186 1.792 850 HB3 LEU 111 HB3 LEU 111 -1.754 -2.294 0.428 851 HG LEU 111 HG LEU 111 -4.613 -3.162 0.812 852 HD11 LEU 111 HD11 LEU 111 -5.020 -0.723 0.866 853 HD12 LEU 111 HD12 LEU 111 -4.038 -1.300 2.214 854 HD13 LEU 111 HD13 LEU 111 -3.275 -0.463 0.860 855 HD21 LEU 111 HD21 LEU 111 -3.340 -1.659 -1.472 856 HD22 LEU 111 HD22 LEU 111 -4.013 -3.288 -1.540 857 HD23 LEU 111 HD23 LEU 111 -5.072 -1.909 -1.246 858 H ARG 112 H ARG 112 -1.075 -6.100 1.476 859 HA ARG 112 HA ARG 112 1.668 -5.263 0.892 860 HB2 ARG 112 HB2 ARG 112 0.672 -7.055 3.101 861 HB3 ARG 112 HB3 ARG 112 2.297 -6.396 2.932 862 HG2 ARG 112 HG2 ARG 112 1.398 -4.136 3.186 863 HG3 ARG 112 HG3 ARG 112 -0.220 -4.812 3.388 864 HD2 ARG 112 HD2 ARG 112 0.603 -6.067 5.346 865 HD3 ARG 112 HD3 ARG 112 2.159 -5.257 5.166 866 HE ARG 112 HE ARG 112 0.254 -3.260 5.291 867 HH11 ARG 112 HH11 ARG 112 1.323 -5.864 7.367 868 HH12 ARG 112 HH12 ARG 112 1.002 -4.988 8.836 869 HH21 ARG 112 HH21 ARG 112 -0.212 -2.121 7.224 870 HH22 ARG 112 HH22 ARG 112 0.110 -2.882 8.758 871 H ALA 113 H ALA 113 -0.353 -7.065 -0.516 872 HA ALA 113 HA ALA 113 -0.371 -8.861 -1.879 873 HB1 ALA 113 HB1 ALA 113 1.801 -8.087 -2.649 874 HB2 ALA 113 HB2 ALA 113 2.592 -8.991 -1.358 875 HB3 ALA 113 HB3 ALA 113 1.724 -9.847 -2.630 876 H GLN 114 H GLN 114 0.362 -11.310 -1.941 877 HA GLN 114 HA GLN 114 -0.642 -12.362 0.550 878 HB2 GLN 114 HB2 GLN 114 -0.052 -13.602 -2.126 879 HB3 GLN 114 HB3 GLN 114 -0.500 -14.572 -0.728 880 HG2 GLN 114 HG2 GLN 114 -2.585 -13.251 -0.545 881 HG3 GLN 114 HG3 GLN 114 -2.135 -12.419 -2.030 882 HE21 GLN 114 HE21 GLN 114 -2.246 -13.503 -3.983 883 HE22 GLN 114 HE22 GLN 114 -3.059 -15.025 -4.152 884 H GLU 115 H GLU 115 0.422 -14.841 0.651 885 HA GLU 115 HA GLU 115 2.008 -16.003 1.752 886 HB2 GLU 115 HB2 GLU 115 3.852 -14.149 0.247 887 HB3 GLU 115 HB3 GLU 115 4.412 -15.493 1.227 888 HG2 GLU 115 HG2 GLU 115 2.628 -15.687 -1.188 889 HG3 GLU 115 HG3 GLU 115 4.342 -16.093 -1.122 890 H ALA 116 H ALA 116 2.003 -15.844 3.858 891 HA ALA 116 HA ALA 116 2.054 -13.439 5.301 892 HB1 ALA 116 HB1 ALA 116 2.657 -16.227 6.284 893 HB2 ALA 116 HB2 ALA 116 2.230 -14.841 7.288 894 HB3 ALA 116 HB3 ALA 116 1.052 -15.506 6.155 895 HA PRO 117 HA PRO 117 6.402 -12.480 5.092 896 HB2 PRO 117 HB2 PRO 117 5.701 -10.764 7.401 897 HB3 PRO 117 HB3 PRO 117 6.456 -10.330 5.864 898 HG2 PRO 117 HG2 PRO 117 3.911 -9.689 6.404 899 HG3 PRO 117 HG3 PRO 117 4.432 -10.139 4.771 900 HD2 PRO 117 HD2 PRO 117 2.921 -11.742 6.783 901 HD3 PRO 117 HD3 PRO 117 2.764 -11.704 5.017 902 H GLY 118 H GLY 118 7.287 -14.408 5.862 903 HA2 GLY 118 HA2 GLY 118 7.399 -14.785 8.768 904 HA3 GLY 118 HA3 GLY 118 7.855 -15.973 7.551 905 H GLN 119 H GLN 119 9.207 -14.522 9.932 906 HA GLN 119 HA GLN 119 11.443 -13.200 8.659 907 HB2 GLN 119 HB2 GLN 119 10.868 -13.858 11.553 908 HB3 GLN 119 HB3 GLN 119 12.275 -12.958 11.002 909 HG2 GLN 119 HG2 GLN 119 10.854 -11.207 10.132 910 HG3 GLN 119 HG3 GLN 119 9.417 -12.123 10.582 911 HE21 GLN 119 HE21 GLN 119 12.123 -10.272 11.756 912 HE22 GLN 119 HE22 GLN 119 11.490 -9.994 13.345 913 H ALA 120 H ALA 120 11.476 -15.555 7.578 914 HA ALA 120 HA ALA 120 12.713 -17.380 7.098 915 HB1 ALA 120 HB1 ALA 120 14.633 -16.305 9.161 916 HB2 ALA 120 HB2 ALA 120 14.981 -17.569 7.981 917 HB3 ALA 120 HB3 ALA 120 14.641 -15.925 7.439 918 H1 GLN 1 HT1 GLN 1 -18.811 23.373 3.323 919 H2 GLN 1 HT2 GLN 1 -19.333 22.386 2.051 920 H3 GLN 1 HT3 GLN 1 -17.881 23.247 1.912 921 HA GLN 1 HA GLN 1 -16.947 21.963 3.750 922 HB2 GLN 1 HB2 GLN 1 -19.545 20.435 3.457 923 HB3 GLN 1 HB3 GLN 1 -18.156 19.872 4.384 924 HG2 GLN 1 HG2 GLN 1 -19.656 22.424 4.933 925 HG3 GLN 1 HG3 GLN 1 -19.947 20.893 5.755 926 HE21 GLN 1 HE21 GLN 1 -19.405 21.707 7.760 927 HE22 GLN 1 HE22 GLN 1 -17.767 22.082 8.207 928 H ASP 2 H ASP 2 -16.115 22.260 1.363 929 HA ASP 2 HA ASP 2 -15.877 19.581 0.178 930 HB2 ASP 2 HB2 ASP 2 -16.388 22.084 -1.451 931 HB3 ASP 2 HB3 ASP 2 -16.217 20.446 -2.068 932 H THR 3 H THR 3 -13.967 20.314 1.701 933 HA THR 3 HA THR 3 -12.112 22.258 0.949 934 HB THR 3 HB THR 3 -11.377 19.712 2.380 935 HG1 THR 3 HG1 THR 3 -12.632 21.985 3.574 936 HG21 THR 3 HG21 THR 3 -9.916 21.190 3.656 937 HG22 THR 3 HG22 THR 3 -9.595 21.355 1.929 938 HG23 THR 3 HG23 THR 3 -10.530 22.588 2.775 939 H ARG 4 H ARG 4 -10.341 22.274 -0.384 940 HA ARG 4 HA ARG 4 -10.074 20.078 -2.265 941 HB2 ARG 4 HB2 ARG 4 -10.004 22.448 -3.036 942 HB3 ARG 4 HB3 ARG 4 -8.523 22.673 -2.115 943 HG2 ARG 4 HG2 ARG 4 -7.661 20.658 -3.523 944 HG3 ARG 4 HG3 ARG 4 -8.977 21.101 -4.609 945 HD2 ARG 4 HD2 ARG 4 -6.745 22.907 -3.691 946 HD3 ARG 4 HD3 ARG 4 -6.878 22.151 -5.275 947 HE ARG 4 HE ARG 4 -9.077 23.891 -4.478 948 HH11 ARG 4 HH11 ARG 4 -6.138 23.455 -6.318 949 HH12 ARG 4 HH12 ARG 4 -6.358 24.896 -7.269 950 HH21 ARG 4 HH21 ARG 4 -9.395 25.773 -5.733 951 HH22 ARG 4 HH22 ARG 4 -8.221 26.215 -6.938 952 H LEU 5 H LEU 5 -8.390 18.691 -2.379 953 HA LEU 5 HA LEU 5 -6.330 18.878 -0.306 954 HB2 LEU 5 HB2 LEU 5 -7.451 16.631 -1.923 955 HB3 LEU 5 HB3 LEU 5 -5.825 16.496 -1.289 956 HG LEU 5 HG LEU 5 -7.370 15.385 0.194 957 HD11 LEU 5 HD11 LEU 5 -6.853 16.524 2.277 958 HD12 LEU 5 HD12 LEU 5 -5.460 16.533 1.194 959 HD13 LEU 5 HD13 LEU 5 -6.437 17.990 1.387 960 HD21 LEU 5 HD21 LEU 5 -9.409 16.559 -0.371 961 HD22 LEU 5 HD22 LEU 5 -9.131 16.627 1.370 962 HD23 LEU 5 HD23 LEU 5 -8.791 18.037 0.367 Start of MODEL 15 1 H1 GLY 4 HT1 GLY 4 -21.397 -20.512 -0.426 2 H2 GLY 4 HT2 GLY 4 -22.617 -21.386 0.361 3 H3 GLY 4 HT3 GLY 4 -21.176 -21.021 1.175 4 HA2 GLY 4 HA3 GLY 4 -23.258 -19.100 0.302 5 HA3 GLY 4 HA2 GLY 4 -22.873 -19.554 1.958 6 H ILE 5 H ILE 5 -22.589 -17.281 2.319 7 HA ILE 5 HA ILE 5 -21.542 -15.284 2.381 8 HB ILE 5 HB ILE 5 -19.142 -15.369 3.019 9 HG12 ILE 5 HG12 ILE 5 -18.391 -17.824 3.597 10 HG13 ILE 5 HG13 ILE 5 -19.446 -18.252 2.256 11 HG21 ILE 5 HG21 ILE 5 -20.985 -17.282 4.424 12 HG22 ILE 5 HG22 ILE 5 -19.525 -16.573 5.115 13 HG23 ILE 5 HG23 ILE 5 -20.884 -15.538 4.669 14 HD11 ILE 5 HD11 ILE 5 -17.078 -16.396 2.133 15 HD12 ILE 5 HD12 ILE 5 -17.147 -18.051 1.525 16 HD13 ILE 5 HD13 ILE 5 -18.141 -16.796 0.783 17 H ASP 6 H ASP 6 -19.091 -14.310 1.605 18 HA ASP 6 HA ASP 6 -19.062 -14.639 -1.307 19 HB2 ASP 6 HB2 ASP 6 -20.450 -12.655 -0.705 20 HB3 ASP 6 HB3 ASP 6 -19.054 -11.963 0.109 21 HA PRO 7 HA PRO 7 -14.649 -14.942 -0.646 22 HB2 PRO 7 HB2 PRO 7 -14.647 -14.047 -3.484 23 HB3 PRO 7 HB3 PRO 7 -13.864 -15.451 -2.749 24 HG2 PRO 7 HG2 PRO 7 -16.031 -15.763 -4.235 25 HG3 PRO 7 HG3 PRO 7 -15.813 -16.700 -2.745 26 HD2 PRO 7 HD2 PRO 7 -17.533 -14.293 -3.228 27 HD3 PRO 7 HD3 PRO 7 -17.890 -15.762 -2.297 28 H PHE 8 H PHE 8 -12.724 -13.474 -1.207 29 HA PHE 8 HA PHE 8 -13.493 -10.860 -0.337 30 HB2 PHE 8 HB2 PHE 8 -11.047 -10.319 -0.409 31 HB3 PHE 8 HB3 PHE 8 -11.505 -11.632 0.659 32 HD1 PHE 8 HD2 PHE 8 -10.914 -13.953 0.083 33 HD2 PHE 8 HD1 PHE 8 -9.607 -10.646 -2.233 34 HE1 PHE 8 HE2 PHE 8 -9.171 -15.363 -0.937 35 HE2 PHE 8 HE1 PHE 8 -7.859 -12.032 -3.250 36 HZ PHE 8 HZ PHE 8 -7.638 -14.401 -2.610 37 H THR 9 H THR 9 -14.649 -9.905 -1.770 38 HA THR 9 HA THR 9 -14.102 -9.880 -4.563 39 HB THR 9 HB THR 9 -16.000 -7.985 -4.235 40 HG1 THR 9 HG1 THR 9 -16.919 -9.656 -2.246 41 HG21 THR 9 HG21 THR 9 -17.644 -9.726 -4.574 42 HG22 THR 9 HG22 THR 9 -16.200 -10.063 -5.533 43 HG23 THR 9 HG23 THR 9 -16.494 -10.950 -4.036 44 H MET 10 H MET 10 -13.649 -8.103 -5.864 45 HA MET 10 HA MET 10 -13.223 -5.960 -6.505 46 HB2 MET 10 HB2 MET 10 -14.796 -5.189 -4.797 47 HB3 MET 10 HB3 MET 10 -13.517 -5.244 -3.591 48 HG2 MET 10 HG2 MET 10 -13.805 -2.986 -4.275 49 HG3 MET 10 HG3 MET 10 -12.269 -3.565 -4.914 50 HE1 MET 10 HE1 MET 10 -13.583 -1.031 -7.628 51 HE2 MET 10 HE2 MET 10 -13.815 -0.928 -5.883 52 HE3 MET 10 HE3 MET 10 -12.255 -1.426 -6.538 53 H LEU 11 H LEU 11 -11.632 -6.648 -3.395 54 HA LEU 11 HA LEU 11 -9.504 -6.351 -2.658 55 HB2 LEU 11 HB2 LEU 11 -8.762 -6.135 -5.585 56 HB3 LEU 11 HB3 LEU 11 -7.647 -6.386 -4.253 57 HG LEU 11 HG LEU 11 -9.814 -8.328 -5.041 58 HD11 LEU 11 HD11 LEU 11 -8.155 -8.161 -6.805 59 HD12 LEU 11 HD12 LEU 11 -6.860 -8.397 -5.629 60 HD13 LEU 11 HD13 LEU 11 -8.008 -9.698 -5.952 61 HD21 LEU 11 HD21 LEU 11 -7.481 -8.579 -3.151 62 HD22 LEU 11 HD22 LEU 11 -9.182 -8.455 -2.697 63 HD23 LEU 11 HD23 LEU 11 -8.604 -9.867 -3.582 64 HA PRO 12 HA PRO 12 -10.386 -1.931 -2.547 65 HB2 PRO 12 HB2 PRO 12 -8.633 -1.540 -0.408 66 HB3 PRO 12 HB3 PRO 12 -10.360 -1.880 -0.283 67 HG2 PRO 12 HG2 PRO 12 -8.038 -3.721 -0.031 68 HG3 PRO 12 HG3 PRO 12 -9.582 -3.727 0.841 69 HD2 PRO 12 HD2 PRO 12 -9.074 -5.482 -1.117 70 HD3 PRO 12 HD3 PRO 12 -10.695 -4.794 -0.888 71 H ARG 13 H ARG 13 -9.418 -0.305 -3.564 72 HA ARG 13 HA ARG 13 -6.783 -0.807 -4.646 73 HB2 ARG 13 HB2 ARG 13 -7.293 1.267 -6.005 74 HB3 ARG 13 HB3 ARG 13 -8.374 -0.097 -6.259 75 HG2 ARG 13 HG2 ARG 13 -9.971 0.983 -4.660 76 HG3 ARG 13 HG3 ARG 13 -8.918 2.401 -4.666 77 HD2 ARG 13 HD2 ARG 13 -9.252 2.690 -7.038 78 HD3 ARG 13 HD3 ARG 13 -10.173 1.188 -7.129 79 HE ARG 13 HE ARG 13 -11.112 3.518 -5.574 80 HH11 ARG 13 HH11 ARG 13 -11.669 0.967 -7.919 81 HH12 ARG 13 HH12 ARG 13 -13.362 1.327 -8.071 82 HH21 ARG 13 HH21 ARG 13 -13.314 3.991 -5.787 83 HH22 ARG 13 HH22 ARG 13 -14.306 3.037 -6.867 84 H LEU 14 H LEU 14 -4.986 0.052 -3.915 85 HA LEU 14 HA LEU 14 -5.106 2.214 -1.960 86 HB2 LEU 14 HB2 LEU 14 -3.695 0.156 -1.587 87 HB3 LEU 14 HB3 LEU 14 -2.699 0.662 -2.935 88 HG LEU 14 HG LEU 14 -3.083 2.440 -0.532 89 HD11 LEU 14 HD11 LEU 14 -2.292 0.315 0.323 90 HD12 LEU 14 HD12 LEU 14 -1.014 0.276 -0.892 91 HD13 LEU 14 HD13 LEU 14 -0.995 1.508 0.369 92 HD21 LEU 14 HD21 LEU 14 -0.931 3.356 -1.222 93 HD22 LEU 14 HD22 LEU 14 -0.849 2.202 -2.552 94 HD23 LEU 14 HD23 LEU 14 -2.097 3.450 -2.544 95 H CYS 15 H CYS 15 -4.967 4.230 -2.651 96 HA CYS 15 HA CYS 15 -3.821 4.675 -5.316 97 HB2 CYS 15 HB2 CYS 15 -5.777 6.356 -3.734 98 HB3 CYS 15 HB3 CYS 15 -5.175 6.743 -5.343 99 HG CYS 15 HG CYS 15 -6.421 4.690 -6.647 100 H CYS 16 H CYS 16 -1.759 5.239 -5.160 101 HA CYS 16 HA CYS 16 -0.824 6.915 -2.999 102 HB2 CYS 16 HB2 CYS 16 1.369 6.740 -4.246 103 HB3 CYS 16 HB3 CYS 16 0.690 5.204 -3.716 104 HG CYS 16 HG CYS 16 0.173 6.351 -6.881 105 H LEU 17 H LEU 17 -1.378 8.977 -3.090 106 HA LEU 17 HA LEU 17 -1.785 10.265 -5.654 107 HB2 LEU 17 HB2 LEU 17 -2.440 10.925 -2.830 108 HB3 LEU 17 HB3 LEU 17 -2.262 12.255 -3.959 109 HG LEU 17 HG LEU 17 -4.585 11.690 -3.831 110 HD11 LEU 17 HD11 LEU 17 -3.478 10.561 -6.380 111 HD12 LEU 17 HD12 LEU 17 -5.084 11.241 -6.121 112 HD13 LEU 17 HD13 LEU 17 -3.666 12.282 -6.027 113 HD21 LEU 17 HD21 LEU 17 -5.436 9.473 -4.410 114 HD22 LEU 17 HD22 LEU 17 -3.783 8.877 -4.550 115 HD23 LEU 17 HD23 LEU 17 -4.393 9.413 -2.986 116 H GLU 18 H GLU 18 -0.466 11.618 -6.603 117 HA GLU 18 HA GLU 18 2.132 12.103 -5.382 118 HB2 GLU 18 HB2 GLU 18 1.298 12.794 -8.199 119 HB3 GLU 18 HB3 GLU 18 2.924 12.528 -7.581 120 HG2 GLU 18 HG2 GLU 18 2.429 10.164 -7.268 121 HG3 GLU 18 HG3 GLU 18 0.788 10.420 -7.855 122 H LYS 19 H LYS 19 2.780 14.053 -4.702 123 HA LYS 19 HA LYS 19 0.960 16.210 -4.494 124 HB2 LYS 19 HB2 LYS 19 2.741 15.855 -2.864 125 HB3 LYS 19 HB3 LYS 19 3.959 16.139 -4.095 126 HG2 LYS 19 HG2 LYS 19 3.733 18.083 -2.687 127 HG3 LYS 19 HG3 LYS 19 3.169 18.456 -4.316 128 HD2 LYS 19 HD2 LYS 19 1.734 19.364 -2.490 129 HD3 LYS 19 HD3 LYS 19 0.888 18.328 -3.637 130 HE2 LYS 19 HE2 LYS 19 0.249 17.903 -1.297 131 HE3 LYS 19 HE3 LYS 19 0.936 16.488 -2.092 132 HZ1 LYS 19 HZ1 LYS 19 1.812 16.715 0.131 133 HZ2 LYS 19 HZ2 LYS 19 3.058 16.973 -0.984 134 HZ3 LYS 19 HZ3 LYS 19 2.343 18.291 -0.188 135 H GLY 20 H GLY 20 0.234 17.082 -6.312 136 HA2 GLY 20 HA2 GLY 20 2.032 17.694 -8.516 137 HA3 GLY 20 HA3 GLY 20 0.293 17.954 -8.484 138 HA PRO 21 HA PRO 21 1.490 22.265 -8.421 139 HB2 PRO 21 HB2 PRO 21 -1.063 23.153 -7.742 140 HB3 PRO 21 HB3 PRO 21 -0.463 22.907 -9.384 141 HG2 PRO 21 HG2 PRO 21 -2.144 21.118 -7.690 142 HG3 PRO 21 HG3 PRO 21 -2.225 21.416 -9.436 143 HD2 PRO 21 HD2 PRO 21 -1.140 19.173 -8.453 144 HD3 PRO 21 HD3 PRO 21 -0.466 19.973 -9.890 145 H ASN 22 H ASN 22 -1.011 21.520 -5.981 146 HA ASN 22 HA ASN 22 0.915 21.975 -3.855 147 HB2 ASN 22 HB2 ASN 22 -0.294 23.695 -2.731 148 HB3 ASN 22 HB3 ASN 22 -0.130 24.226 -4.398 149 HD21 ASN 22 HD21 ASN 22 -1.955 24.350 -5.699 150 HD22 ASN 22 HD22 ASN 22 -3.559 24.270 -5.044 151 H GLY 23 H GLY 23 -0.725 19.812 -5.011 152 HA2 GLY 23 HA2 GLY 23 -1.818 18.629 -2.704 153 HA3 GLY 23 HA3 GLY 23 -3.113 19.349 -3.655 154 H TYR 24 H TYR 24 -4.125 17.604 -4.526 155 HA TYR 24 HA TYR 24 -2.439 15.701 -6.011 156 HB2 TYR 24 HB2 TYR 24 -4.725 14.864 -4.220 157 HB3 TYR 24 HB3 TYR 24 -3.583 13.816 -5.062 158 HD1 TYR 24 HD1 TYR 24 -1.072 14.134 -4.450 159 HD2 TYR 24 HD2 TYR 24 -4.291 15.466 -2.010 160 HE1 TYR 24 HE1 TYR 24 0.445 14.252 -2.524 161 HE2 TYR 24 HE2 TYR 24 -2.783 15.576 -0.072 162 HH TYR 24 HH TYR 24 -0.693 14.692 0.699 163 H GLY 25 H GLY 25 -5.428 17.452 -5.730 164 HA2 GLY 25 HA2 GLY 25 -6.350 18.239 -7.802 165 HA3 GLY 25 HA3 GLY 25 -5.884 16.721 -8.547 166 H PHE 26 H PHE 26 -7.492 16.727 -5.437 167 HA PHE 26 HA PHE 26 -10.097 16.494 -6.716 168 HB2 PHE 26 HB2 PHE 26 -10.684 14.447 -5.493 169 HB3 PHE 26 HB3 PHE 26 -9.357 14.172 -6.614 170 HD1 PHE 26 HD1 PHE 26 -6.999 14.083 -5.682 171 HD2 PHE 26 HD2 PHE 26 -10.480 13.935 -3.233 172 HE1 PHE 26 HE1 PHE 26 -5.675 13.081 -3.866 173 HE2 PHE 26 HE2 PHE 26 -9.161 12.943 -1.410 174 HZ PHE 26 HZ PHE 26 -6.759 12.511 -1.729 175 H HIS 27 H HIS 27 -11.867 16.631 -5.118 176 HA HIS 27 HA HIS 27 -10.930 17.946 -2.673 177 HB2 HIS 27 HB2 HIS 27 -12.982 19.425 -2.801 178 HB3 HIS 27 HB3 HIS 27 -11.680 19.775 -3.924 179 HD1 HIS 27 HD1 HIS 27 -15.246 19.090 -3.734 180 HD2 HIS 27 HD2 HIS 27 -12.277 19.002 -6.647 181 HE1 HIS 27 HE1 HIS 27 -16.457 19.140 -5.943 182 HE2 HIS 27 HE2 HIS 27 -14.629 19.380 -7.664 183 H LEU 28 H LEU 28 -11.858 17.507 -0.840 184 HA LEU 28 HA LEU 28 -13.580 15.133 -0.816 185 HB2 LEU 28 HB2 LEU 28 -11.232 15.379 0.302 186 HB3 LEU 28 HB3 LEU 28 -12.081 16.305 1.518 187 HG LEU 28 HG LEU 28 -11.708 14.010 2.242 188 HD11 LEU 28 HD11 LEU 28 -13.987 13.408 2.866 189 HD12 LEU 28 HD12 LEU 28 -13.686 15.132 3.086 190 HD13 LEU 28 HD13 LEU 28 -14.614 14.568 1.695 191 HD21 LEU 28 HD21 LEU 28 -13.397 13.222 -0.120 192 HD22 LEU 28 HD22 LEU 28 -11.666 12.937 0.065 193 HD23 LEU 28 HD23 LEU 28 -12.813 12.139 1.143 194 H HIS 29 H HIS 29 -15.679 15.443 -0.330 195 HA HIS 29 HA HIS 29 -16.366 17.779 1.321 196 HB2 HIS 29 HB2 HIS 29 -18.358 18.053 0.199 197 HB3 HIS 29 HB3 HIS 29 -17.371 17.407 -1.101 198 HD1 HIS 29 HD1 HIS 29 -20.560 16.994 0.459 199 HD2 HIS 29 HD2 HIS 29 -17.834 14.431 -1.357 200 HE1 HIS 29 HE1 HIS 29 -21.872 14.951 -0.169 201 HE2 HIS 29 HE2 HIS 29 -20.165 13.334 -1.069 202 H GLY 30 H GLY 30 -17.703 17.480 3.121 203 HA2 GLY 30 HA2 GLY 30 -18.064 14.662 3.900 204 HA3 GLY 30 HA3 GLY 30 -17.231 15.778 4.971 205 H GLU 31 H GLU 31 -19.397 14.417 5.858 206 HA GLU 31 HA GLU 31 -21.573 16.367 5.887 207 HB2 GLU 31 HB2 GLU 31 -22.712 14.539 7.278 208 HB3 GLU 31 HB3 GLU 31 -22.448 14.217 5.572 209 HG2 GLU 31 HG2 GLU 31 -20.402 12.950 6.197 210 HG3 GLU 31 HG3 GLU 31 -20.855 13.158 7.890 211 H LYS 32 H LYS 32 -22.532 16.867 8.052 212 HA LYS 32 HA LYS 32 -20.425 18.104 9.531 213 HB2 LYS 32 HB2 LYS 32 -22.719 19.075 9.037 214 HB3 LYS 32 HB3 LYS 32 -23.342 18.017 10.292 215 HG2 LYS 32 HG2 LYS 32 -23.002 20.198 11.214 216 HG3 LYS 32 HG3 LYS 32 -21.808 19.100 11.908 217 HD2 LYS 32 HD2 LYS 32 -20.129 19.925 10.337 218 HD3 LYS 32 HD3 LYS 32 -21.319 21.016 9.629 219 HE2 LYS 32 HE2 LYS 32 -20.335 21.064 12.478 220 HE3 LYS 32 HE3 LYS 32 -19.855 22.180 11.201 221 HZ1 LYS 32 HZ1 LYS 32 -22.528 21.910 12.465 222 HZ2 LYS 32 HZ2 LYS 32 -21.501 23.258 12.475 223 HZ3 LYS 32 HZ3 LYS 32 -22.269 22.791 11.041 224 H GLY 33 H GLY 33 -19.281 16.268 10.338 225 HA2 GLY 33 HA2 GLY 33 -19.857 15.711 13.032 226 HA3 GLY 33 HA3 GLY 33 -20.350 14.331 12.057 227 H LYS 34 H LYS 34 -18.870 12.794 12.187 228 HA LYS 34 HA LYS 34 -16.023 13.556 12.016 229 HB2 LYS 34 HB2 LYS 34 -17.266 11.129 13.328 230 HB3 LYS 34 HB3 LYS 34 -15.540 11.450 13.213 231 HG2 LYS 34 HG2 LYS 34 -15.711 13.330 14.651 232 HG3 LYS 34 HG3 LYS 34 -17.473 13.285 14.600 233 HD2 LYS 34 HD2 LYS 34 -16.664 12.369 16.684 234 HD3 LYS 34 HD3 LYS 34 -17.431 11.104 15.727 235 HE2 LYS 34 HE2 LYS 34 -15.179 10.405 14.954 236 HE3 LYS 34 HE3 LYS 34 -14.474 11.602 16.040 237 HZ1 LYS 34 HZ1 LYS 34 -14.452 9.453 17.075 238 HZ2 LYS 34 HZ2 LYS 34 -15.553 10.441 17.901 239 HZ3 LYS 34 HZ3 LYS 34 -16.116 9.255 16.825 240 H LEU 35 H LEU 35 -18.081 10.722 11.534 241 HA LEU 35 HA LEU 35 -16.516 9.780 9.325 242 HB2 LEU 35 HB2 LEU 35 -19.177 8.844 10.401 243 HB3 LEU 35 HB3 LEU 35 -18.257 8.025 9.153 244 HG LEU 35 HG LEU 35 -16.382 7.960 10.975 245 HD11 LEU 35 HD11 LEU 35 -18.852 8.212 12.674 246 HD12 LEU 35 HD12 LEU 35 -17.249 7.742 13.239 247 HD13 LEU 35 HD13 LEU 35 -17.518 9.364 12.599 248 HD21 LEU 35 HD21 LEU 35 -17.506 6.031 9.967 249 HD22 LEU 35 HD22 LEU 35 -17.182 5.788 11.684 250 HD23 LEU 35 HD23 LEU 35 -18.813 6.189 11.140 251 H GLY 36 H GLY 36 -16.998 9.883 7.198 252 HA2 GLY 36 HA2 GLY 36 -18.978 10.121 5.609 253 HA3 GLY 36 HA3 GLY 36 -19.255 11.628 6.467 254 H GLN 37 H GLN 37 -16.233 10.154 5.317 255 HA GLN 37 HA GLN 37 -15.626 12.617 3.874 256 HB2 GLN 37 HB2 GLN 37 -14.045 10.337 4.971 257 HB3 GLN 37 HB3 GLN 37 -13.399 11.179 3.571 258 HG2 GLN 37 HG2 GLN 37 -12.575 11.966 5.797 259 HG3 GLN 37 HG3 GLN 37 -13.237 13.206 4.743 260 HE21 GLN 37 HE21 GLN 37 -13.723 11.355 7.640 261 HE22 GLN 37 HE22 GLN 37 -14.968 12.351 8.314 262 H TYR 38 H TYR 38 -16.159 12.708 1.799 263 HA TYR 38 HA TYR 38 -15.942 10.285 0.146 264 HB2 TYR 38 HB2 TYR 38 -18.231 12.262 0.020 265 HB3 TYR 38 HB3 TYR 38 -18.039 10.821 -0.968 266 HD1 TYR 38 HD2 TYR 38 -17.980 8.557 0.306 267 HD2 TYR 38 HD1 TYR 38 -19.489 12.169 1.968 268 HE1 TYR 38 HE2 TYR 38 -19.267 7.257 1.938 269 HE2 TYR 38 HE1 TYR 38 -20.790 10.878 3.605 270 HH TYR 38 HH TYR 38 -20.315 7.524 4.105 271 H ILE 39 H ILE 39 -15.027 10.618 -1.806 272 HA ILE 39 HA ILE 39 -13.911 13.146 -2.493 273 HB ILE 39 HB ILE 39 -14.393 10.879 -4.432 274 HG12 ILE 39 HG12 ILE 39 -13.309 9.970 -2.413 275 HG13 ILE 39 HG13 ILE 39 -12.213 9.960 -3.790 276 HG21 ILE 39 HG21 ILE 39 -12.340 11.759 -5.488 277 HG22 ILE 39 HG22 ILE 39 -13.647 12.941 -5.440 278 HG23 ILE 39 HG23 ILE 39 -12.311 13.057 -4.293 279 HD11 ILE 39 HD11 ILE 39 -11.153 11.996 -2.922 280 HD12 ILE 39 HD12 ILE 39 -12.229 11.929 -1.525 281 HD13 ILE 39 HD13 ILE 39 -11.060 10.640 -1.795 282 H ARG 40 H ARG 40 -14.919 14.827 -3.421 283 HA ARG 40 HA ARG 40 -17.674 14.471 -4.252 284 HB2 ARG 40 HB2 ARG 40 -17.042 16.381 -2.833 285 HB3 ARG 40 HB3 ARG 40 -15.993 16.981 -4.107 286 HG2 ARG 40 HG2 ARG 40 -18.131 18.180 -3.996 287 HG3 ARG 40 HG3 ARG 40 -17.891 17.371 -5.546 288 HD2 ARG 40 HD2 ARG 40 -19.352 15.570 -4.873 289 HD3 ARG 40 HD3 ARG 40 -19.521 16.269 -3.262 290 HE ARG 40 HE ARG 40 -20.485 18.252 -4.605 291 HH11 ARG 40 HH11 ARG 40 -20.907 14.865 -5.419 292 HH12 ARG 40 HH12 ARG 40 -22.468 15.121 -6.145 293 HH21 ARG 40 HH21 ARG 40 -22.530 18.566 -5.567 294 HH22 ARG 40 HH22 ARG 40 -23.375 17.200 -6.239 295 H LEU 41 H LEU 41 -14.609 15.487 -5.701 296 HA LEU 41 HA LEU 41 -15.392 14.454 -8.246 297 HB2 LEU 41 HB2 LEU 41 -16.543 16.635 -8.293 298 HB3 LEU 41 HB3 LEU 41 -15.015 17.441 -7.990 299 HG LEU 41 HG LEU 41 -14.170 16.522 -10.159 300 HD11 LEU 41 HD11 LEU 41 -15.646 14.619 -10.380 301 HD12 LEU 41 HD12 LEU 41 -17.046 15.684 -10.500 302 HD13 LEU 41 HD13 LEU 41 -15.821 15.687 -11.771 303 HD21 LEU 41 HD21 LEU 41 -14.967 18.797 -10.035 304 HD22 LEU 41 HD22 LEU 41 -15.472 18.076 -11.563 305 HD23 LEU 41 HD23 LEU 41 -16.634 18.257 -10.251 306 H VAL 42 H VAL 42 -13.674 14.054 -9.529 307 HA VAL 42 HA VAL 42 -11.015 14.736 -8.478 308 HB VAL 42 HB VAL 42 -11.835 12.540 -10.401 309 HG11 VAL 42 HG11 VAL 42 -9.579 13.340 -10.859 310 HG12 VAL 42 HG12 VAL 42 -9.148 13.115 -9.164 311 HG13 VAL 42 HG13 VAL 42 -9.547 11.720 -10.166 312 HG21 VAL 42 HG21 VAL 42 -12.590 12.107 -8.127 313 HG22 VAL 42 HG22 VAL 42 -11.284 11.007 -8.575 314 HG23 VAL 42 HG23 VAL 42 -10.957 12.384 -7.521 315 H GLU 43 H GLU 43 -9.595 15.867 -9.738 316 HA GLU 43 HA GLU 43 -10.668 17.236 -12.027 317 HB2 GLU 43 HB2 GLU 43 -9.176 18.205 -10.189 318 HB3 GLU 43 HB3 GLU 43 -7.847 17.353 -10.962 319 HG2 GLU 43 HG2 GLU 43 -8.131 18.619 -12.973 320 HG3 GLU 43 HG3 GLU 43 -9.589 19.370 -12.330 321 HA PRO 44 HA PRO 44 -9.312 14.236 -15.006 322 HB2 PRO 44 HB2 PRO 44 -9.227 15.928 -17.172 323 HB3 PRO 44 HB3 PRO 44 -10.703 15.191 -16.543 324 HG2 PRO 44 HG2 PRO 44 -9.591 17.926 -16.049 325 HG3 PRO 44 HG3 PRO 44 -11.264 17.443 -16.378 326 HD2 PRO 44 HD2 PRO 44 -10.457 17.997 -13.897 327 HD3 PRO 44 HD3 PRO 44 -11.599 16.670 -14.208 328 H GLY 45 H GLY 45 -7.610 17.202 -14.376 329 HA2 GLY 45 HA2 GLY 45 -5.198 16.105 -15.670 330 HA3 GLY 45 HA3 GLY 45 -5.469 17.809 -15.339 331 H SER 46 H SER 46 -5.882 14.970 -13.249 332 HA SER 46 HA SER 46 -3.772 16.047 -11.506 333 HB2 SER 46 HB2 SER 46 -5.116 15.598 -9.557 334 HB3 SER 46 HB3 SER 46 -6.088 16.568 -10.665 335 HG SER 46 HG SER 46 -7.279 14.805 -11.190 336 HA PRO 47 HA PRO 47 -2.232 11.860 -11.287 337 HB2 PRO 47 HB2 PRO 47 -1.393 11.781 -8.686 338 HB3 PRO 47 HB3 PRO 47 -0.492 12.569 -9.986 339 HG2 PRO 47 HG2 PRO 47 -2.322 13.774 -7.947 340 HG3 PRO 47 HG3 PRO 47 -0.754 14.363 -8.533 341 HD2 PRO 47 HD2 PRO 47 -3.074 15.396 -9.417 342 HD3 PRO 47 HD3 PRO 47 -1.666 15.219 -10.484 343 H ALA 48 H ALA 48 -4.779 13.005 -9.270 344 HA ALA 48 HA ALA 48 -5.389 10.709 -7.812 345 HB1 ALA 48 HB1 ALA 48 -7.597 11.668 -7.525 346 HB2 ALA 48 HB2 ALA 48 -6.366 12.922 -7.378 347 HB3 ALA 48 HB3 ALA 48 -7.307 12.780 -8.863 348 H GLU 49 H GLU 49 -6.475 11.685 -11.060 349 HA GLU 49 HA GLU 49 -8.132 9.409 -11.375 350 HB2 GLU 49 HB2 GLU 49 -8.304 10.028 -13.716 351 HB3 GLU 49 HB3 GLU 49 -8.490 11.436 -12.687 352 HG2 GLU 49 HG2 GLU 49 -7.140 12.321 -14.265 353 HG3 GLU 49 HG3 GLU 49 -5.902 11.685 -13.183 354 H LYS 50 H LYS 50 -4.742 9.991 -11.910 355 HA LYS 50 HA LYS 50 -4.126 7.588 -13.287 356 HB2 LYS 50 HB2 LYS 50 -2.451 9.232 -11.371 357 HB3 LYS 50 HB3 LYS 50 -1.832 7.911 -12.345 358 HG2 LYS 50 HG2 LYS 50 -2.277 9.133 -14.369 359 HG3 LYS 50 HG3 LYS 50 -3.050 10.429 -13.450 360 HD2 LYS 50 HD2 LYS 50 -0.737 10.994 -14.083 361 HD3 LYS 50 HD3 LYS 50 -0.947 10.925 -12.333 362 HE2 LYS 50 HE2 LYS 50 -0.049 8.602 -12.381 363 HE3 LYS 50 HE3 LYS 50 0.283 8.811 -14.099 364 HZ1 LYS 50 HZ1 LYS 50 1.463 10.403 -11.878 365 HZ2 LYS 50 HZ2 LYS 50 2.257 9.225 -12.805 366 HZ3 LYS 50 HZ3 LYS 50 1.750 10.669 -13.534 367 H ALA 51 H ALA 51 -4.291 8.464 -9.871 368 HA ALA 51 HA ALA 51 -3.285 6.039 -8.835 369 HB1 ALA 51 HB1 ALA 51 -5.080 8.019 -7.437 370 HB2 ALA 51 HB2 ALA 51 -3.983 6.857 -6.691 371 HB3 ALA 51 HB3 ALA 51 -3.335 8.205 -7.620 372 H GLY 52 H GLY 52 -6.386 6.951 -9.994 373 HA2 GLY 52 HA2 GLY 52 -7.907 5.222 -10.687 374 HA3 GLY 52 HA3 GLY 52 -7.356 4.252 -9.328 375 H LEU 53 H LEU 53 -7.675 7.366 -8.323 376 HA LEU 53 HA LEU 53 -9.902 6.839 -6.662 377 HB2 LEU 53 HB2 LEU 53 -8.002 8.360 -6.162 378 HB3 LEU 53 HB3 LEU 53 -8.630 9.477 -7.358 379 HG LEU 53 HG LEU 53 -10.711 9.669 -5.998 380 HD11 LEU 53 HD11 LEU 53 -10.590 7.556 -4.817 381 HD12 LEU 53 HD12 LEU 53 -9.107 8.070 -4.013 382 HD13 LEU 53 HD13 LEU 53 -10.626 8.897 -3.672 383 HD21 LEU 53 HD21 LEU 53 -8.960 11.328 -5.859 384 HD22 LEU 53 HD22 LEU 53 -9.663 11.063 -4.263 385 HD23 LEU 53 HD23 LEU 53 -8.100 10.353 -4.670 386 H LEU 54 H LEU 54 -12.027 7.233 -6.943 387 HA LEU 54 HA LEU 54 -12.834 8.644 -9.403 388 HB2 LEU 54 HB2 LEU 54 -14.277 6.498 -7.841 389 HB3 LEU 54 HB3 LEU 54 -14.930 7.327 -9.241 390 HG LEU 54 HG LEU 54 -12.473 5.573 -9.254 391 HD11 LEU 54 HD11 LEU 54 -14.502 4.285 -8.897 392 HD12 LEU 54 HD12 LEU 54 -15.261 5.070 -10.281 393 HD13 LEU 54 HD13 LEU 54 -13.871 4.013 -10.521 394 HD21 LEU 54 HD21 LEU 54 -12.643 5.785 -11.698 395 HD22 LEU 54 HD22 LEU 54 -13.966 6.935 -11.495 396 HD23 LEU 54 HD23 LEU 54 -12.350 7.340 -10.919 397 H ALA 55 H ALA 55 -14.989 9.719 -9.254 398 HA ALA 55 HA ALA 55 -14.981 11.465 -6.954 399 HB1 ALA 55 HB1 ALA 55 -16.705 12.711 -8.153 400 HB2 ALA 55 HB2 ALA 55 -15.329 12.366 -9.198 401 HB3 ALA 55 HB3 ALA 55 -16.811 11.424 -9.354 402 H GLY 56 H GLY 56 -15.515 9.851 -5.378 403 HA2 GLY 56 HA2 GLY 56 -17.978 9.922 -4.300 404 HA3 GLY 56 HA3 GLY 56 -18.129 8.615 -5.469 405 H ASP 57 H ASP 57 -15.071 8.270 -4.813 406 HA ASP 57 HA ASP 57 -15.257 6.005 -3.257 407 HB2 ASP 57 HB2 ASP 57 -13.025 7.849 -3.964 408 HB3 ASP 57 HB3 ASP 57 -12.746 6.635 -2.724 409 H ARG 58 H ARG 58 -15.155 5.506 -1.176 410 HA ARG 58 HA ARG 58 -15.184 7.625 0.814 411 HB2 ARG 58 HB2 ARG 58 -15.516 4.626 0.957 412 HB3 ARG 58 HB3 ARG 58 -15.346 5.611 2.399 413 HG2 ARG 58 HG2 ARG 58 -17.363 6.798 1.899 414 HG3 ARG 58 HG3 ARG 58 -17.504 5.973 0.343 415 HD2 ARG 58 HD2 ARG 58 -18.935 5.091 2.258 416 HD3 ARG 58 HD3 ARG 58 -17.987 3.913 1.354 417 HE ARG 58 HE ARG 58 -16.553 4.846 3.623 418 HH11 ARG 58 HH11 ARG 58 -19.264 2.802 2.775 419 HH12 ARG 58 HH12 ARG 58 -18.953 1.649 4.034 420 HH21 ARG 58 HH21 ARG 58 -16.146 3.341 5.309 421 HH22 ARG 58 HH22 ARG 58 -17.184 1.950 5.465 422 H LEU 59 H LEU 59 -13.387 8.309 1.773 423 HA LEU 59 HA LEU 59 -10.883 6.972 1.341 424 HB2 LEU 59 HB2 LEU 59 -11.029 9.427 1.453 425 HB3 LEU 59 HB3 LEU 59 -11.554 9.318 3.123 426 HG LEU 59 HG LEU 59 -9.395 8.361 3.759 427 HD11 LEU 59 HD11 LEU 59 -8.642 8.777 0.867 428 HD12 LEU 59 HD12 LEU 59 -7.553 8.274 2.160 429 HD13 LEU 59 HD13 LEU 59 -8.875 7.218 1.659 430 HD21 LEU 59 HD21 LEU 59 -9.702 10.772 3.834 431 HD22 LEU 59 HD22 LEU 59 -8.040 10.361 3.408 432 HD23 LEU 59 HD23 LEU 59 -9.163 10.905 2.162 433 H VAL 60 H VAL 60 -10.340 5.216 2.435 434 HA VAL 60 HA VAL 60 -11.745 4.590 4.900 435 HB VAL 60 HB VAL 60 -9.796 2.932 3.293 436 HG11 VAL 60 HG11 VAL 60 -10.694 1.031 4.566 437 HG12 VAL 60 HG12 VAL 60 -9.889 2.204 5.607 438 HG13 VAL 60 HG13 VAL 60 -11.650 2.149 5.539 439 HG21 VAL 60 HG21 VAL 60 -11.854 3.492 2.056 440 HG22 VAL 60 HG22 VAL 60 -11.753 1.771 2.426 441 HG23 VAL 60 HG23 VAL 60 -12.814 2.818 3.371 442 H GLU 61 H GLU 61 -8.317 4.660 3.833 443 HA GLU 61 HA GLU 61 -7.631 5.481 6.551 444 HB2 GLU 61 HB2 GLU 61 -5.772 3.888 6.678 445 HB3 GLU 61 HB3 GLU 61 -7.323 3.078 6.561 446 HG2 GLU 61 HG2 GLU 61 -5.975 1.829 5.171 447 HG3 GLU 61 HG3 GLU 61 -6.808 2.900 4.050 448 H VAL 62 H VAL 62 -5.564 6.444 6.784 449 HA VAL 62 HA VAL 62 -4.260 7.254 4.273 450 HB VAL 62 HB VAL 62 -4.665 9.005 6.720 451 HG11 VAL 62 HG11 VAL 62 -3.541 10.759 5.438 452 HG12 VAL 62 HG12 VAL 62 -2.478 9.377 5.703 453 HG13 VAL 62 HG13 VAL 62 -3.240 9.614 4.130 454 HG21 VAL 62 HG21 VAL 62 -6.674 8.814 5.343 455 HG22 VAL 62 HG22 VAL 62 -5.983 10.433 5.246 456 HG23 VAL 62 HG23 VAL 62 -5.751 9.294 3.920 457 H ASN 63 H ASN 63 -2.420 6.178 4.264 458 HA ASN 63 HA ASN 63 -0.416 5.328 4.835 459 HB2 ASN 63 HB2 ASN 63 -0.535 7.683 6.694 460 HB3 ASN 63 HB3 ASN 63 0.846 6.593 6.700 461 HD21 ASN 63 HD21 ASN 63 -0.786 9.117 5.034 462 HD22 ASN 63 HD22 ASN 63 0.381 9.327 3.779 463 H GLY 64 H GLY 64 -2.681 4.031 6.015 464 HA2 GLY 64 HA2 GLY 64 -2.161 1.875 7.004 465 HA3 GLY 64 HA3 GLY 64 -1.096 2.699 8.125 466 H GLU 65 H GLU 65 -3.262 4.813 8.517 467 HA GLU 65 HA GLU 65 -4.701 3.190 10.503 468 HB2 GLU 65 HB2 GLU 65 -4.809 5.222 11.893 469 HB3 GLU 65 HB3 GLU 65 -3.160 4.723 11.553 470 HG2 GLU 65 HG2 GLU 65 -3.079 6.432 9.758 471 HG3 GLU 65 HG3 GLU 65 -4.669 6.987 10.282 472 H ASN 66 H ASN 66 -6.840 3.403 10.817 473 HA ASN 66 HA ASN 66 -8.447 4.142 8.603 474 HB2 ASN 66 HB2 ASN 66 -9.015 2.352 10.237 475 HB3 ASN 66 HB3 ASN 66 -9.275 3.579 11.466 476 HD21 ASN 66 HD21 ASN 66 -10.241 3.702 8.062 477 HD22 ASN 66 HD22 ASN 66 -11.946 3.712 8.368 478 H VAL 67 H VAL 67 -9.126 6.131 8.044 479 HA VAL 67 HA VAL 67 -8.956 8.238 10.091 480 HB VAL 67 HB VAL 67 -8.781 9.836 8.223 481 HG11 VAL 67 HG11 VAL 67 -6.767 9.005 9.267 482 HG12 VAL 67 HG12 VAL 67 -6.767 7.594 8.210 483 HG13 VAL 67 HG13 VAL 67 -6.500 9.201 7.534 484 HG21 VAL 67 HG21 VAL 67 -8.406 9.037 5.951 485 HG22 VAL 67 HG22 VAL 67 -8.656 7.373 6.480 486 HG23 VAL 67 HG23 VAL 67 -9.990 8.527 6.534 487 H GLU 68 H GLU 68 -11.251 6.383 8.696 488 HA GLU 68 HA GLU 68 -13.233 8.239 7.927 489 HB2 GLU 68 HB2 GLU 68 -13.560 5.461 9.073 490 HB3 GLU 68 HB3 GLU 68 -14.822 6.385 8.272 491 HG2 GLU 68 HG2 GLU 68 -13.616 6.319 6.194 492 HG3 GLU 68 HG3 GLU 68 -12.253 5.518 6.976 493 H LYS 69 H LYS 69 -12.036 7.270 10.986 494 HA LYS 69 HA LYS 69 -14.457 8.094 12.392 495 HB2 LYS 69 HB2 LYS 69 -11.941 6.999 13.634 496 HB3 LYS 69 HB3 LYS 69 -13.573 6.997 14.293 497 HG2 LYS 69 HG2 LYS 69 -12.735 5.441 11.856 498 HG3 LYS 69 HG3 LYS 69 -12.791 4.776 13.488 499 HD2 LYS 69 HD2 LYS 69 -15.122 4.944 13.600 500 HD3 LYS 69 HD3 LYS 69 -15.193 6.081 12.253 501 HE2 LYS 69 HE2 LYS 69 -15.971 3.757 11.720 502 HE3 LYS 69 HE3 LYS 69 -14.695 4.373 10.673 503 HZ1 LYS 69 HZ1 LYS 69 -13.098 3.047 11.778 504 HZ2 LYS 69 HZ2 LYS 69 -14.181 2.610 13.009 505 HZ3 LYS 69 HZ3 LYS 69 -14.406 2.032 11.430 506 H GLU 70 H GLU 70 -11.765 9.560 11.225 507 HA GLU 70 HA GLU 70 -11.263 11.357 13.448 508 HB2 GLU 70 HB2 GLU 70 -10.284 11.388 10.584 509 HB3 GLU 70 HB3 GLU 70 -9.717 12.459 11.857 510 HG2 GLU 70 HG2 GLU 70 -9.459 9.464 11.920 511 HG3 GLU 70 HG3 GLU 70 -8.205 10.566 11.366 512 H THR 71 H THR 71 -11.507 13.732 13.129 513 HA THR 71 HA THR 71 -14.067 14.409 12.072 514 HB THR 71 HB THR 71 -13.560 16.705 12.649 515 HG1 THR 71 HG1 THR 71 -10.901 15.903 13.259 516 HG21 THR 71 HG21 THR 71 -12.385 14.814 14.683 517 HG22 THR 71 HG22 THR 71 -12.890 16.472 15.003 518 HG23 THR 71 HG23 THR 71 -14.085 15.262 14.535 519 H HIS 72 H HIS 72 -14.453 15.960 10.306 520 HA HIS 72 HA HIS 72 -13.246 15.176 7.926 521 HB2 HIS 72 HB2 HIS 72 -15.445 16.265 8.025 522 HB3 HIS 72 HB3 HIS 72 -14.685 17.774 8.515 523 HD1 HIS 72 HD1 HIS 72 -14.954 15.454 5.555 524 HD2 HIS 72 HD2 HIS 72 -13.746 19.332 6.448 525 HE1 HIS 72 HE1 HIS 72 -14.519 16.563 3.334 526 HE2 HIS 72 HE2 HIS 72 -13.597 18.833 3.913 527 H GLN 73 H GLN 73 -12.659 18.031 9.920 528 HA GLN 73 HA GLN 73 -10.699 19.256 8.342 529 HB2 GLN 73 HB2 GLN 73 -11.795 20.397 10.190 530 HB3 GLN 73 HB3 GLN 73 -11.086 19.278 11.344 531 HG2 GLN 73 HG2 GLN 73 -8.848 20.123 10.717 532 HG3 GLN 73 HG3 GLN 73 -9.627 21.308 9.668 533 HE21 GLN 73 HE21 GLN 73 -11.867 21.659 11.524 534 HE22 GLN 73 HE22 GLN 73 -11.257 22.625 12.819 535 H GLN 74 H GLN 74 -10.392 16.815 10.912 536 HA GLN 74 HA GLN 74 -7.570 16.857 10.987 537 HB2 GLN 74 HB2 GLN 74 -9.599 14.851 11.909 538 HB3 GLN 74 HB3 GLN 74 -7.872 14.545 12.052 539 HG2 GLN 74 HG2 GLN 74 -9.405 16.817 13.295 540 HG3 GLN 74 HG3 GLN 74 -8.729 15.418 14.126 541 HE21 GLN 74 HE21 GLN 74 -8.220 18.262 14.549 542 HE22 GLN 74 HE22 GLN 74 -6.516 18.489 14.314 543 H VAL 75 H VAL 75 -9.881 14.891 9.186 544 HA VAL 75 HA VAL 75 -8.085 13.050 8.083 545 HB VAL 75 HB VAL 75 -10.590 14.160 6.799 546 HG11 VAL 75 HG11 VAL 75 -10.628 12.071 5.538 547 HG12 VAL 75 HG12 VAL 75 -9.149 12.976 5.214 548 HG13 VAL 75 HG13 VAL 75 -9.112 11.580 6.293 549 HG21 VAL 75 HG21 VAL 75 -11.713 12.218 7.762 550 HG22 VAL 75 HG22 VAL 75 -10.213 11.736 8.554 551 HG23 VAL 75 HG23 VAL 75 -11.015 13.237 9.020 552 H VAL 76 H VAL 76 -9.204 16.181 6.808 553 HA VAL 76 HA VAL 76 -7.731 16.109 4.414 554 HB VAL 76 HB VAL 76 -8.607 18.537 5.987 555 HG11 VAL 76 HG11 VAL 76 -6.905 19.041 4.285 556 HG12 VAL 76 HG12 VAL 76 -7.926 18.286 3.060 557 HG13 VAL 76 HG13 VAL 76 -8.475 19.742 3.891 558 HG21 VAL 76 HG21 VAL 76 -10.475 17.059 5.480 559 HG22 VAL 76 HG22 VAL 76 -10.564 18.530 4.511 560 HG23 VAL 76 HG23 VAL 76 -10.004 17.027 3.780 561 H SER 77 H SER 77 -6.936 17.352 7.618 562 HA SER 77 HA SER 77 -4.520 18.612 6.986 563 HB2 SER 77 HB2 SER 77 -5.267 17.246 9.583 564 HB3 SER 77 HB3 SER 77 -4.033 18.489 9.370 565 HG SER 77 HG SER 77 -6.843 18.717 9.231 566 H ARG 78 H ARG 78 -5.260 15.256 7.755 567 HA ARG 78 HA ARG 78 -2.608 14.325 8.013 568 HB2 ARG 78 HB2 ARG 78 -5.103 12.853 7.161 569 HB3 ARG 78 HB3 ARG 78 -3.585 12.085 7.595 570 HG2 ARG 78 HG2 ARG 78 -3.768 13.005 9.852 571 HG3 ARG 78 HG3 ARG 78 -5.309 13.747 9.414 572 HD2 ARG 78 HD2 ARG 78 -6.288 11.592 9.000 573 HD3 ARG 78 HD3 ARG 78 -4.734 10.797 9.249 574 HE ARG 78 HE ARG 78 -6.487 11.908 11.306 575 HH11 ARG 78 HH11 ARG 78 -3.449 10.412 10.462 576 HH12 ARG 78 HH12 ARG 78 -3.159 9.795 12.060 577 HH21 ARG 78 HH21 ARG 78 -6.131 11.067 13.405 578 HH22 ARG 78 HH22 ARG 78 -4.671 10.170 13.731 579 H ILE 79 H ILE 79 -4.799 14.526 5.249 580 HA ILE 79 HA ILE 79 -3.110 13.120 3.452 581 HB ILE 79 HB ILE 79 -5.229 15.137 2.704 582 HG12 ILE 79 HG12 ILE 79 -5.568 12.174 3.223 583 HG13 ILE 79 HG13 ILE 79 -6.084 13.447 4.323 584 HG21 ILE 79 HG21 ILE 79 -4.102 12.735 1.266 585 HG22 ILE 79 HG22 ILE 79 -5.425 13.743 0.683 586 HG23 ILE 79 HG23 ILE 79 -3.810 14.426 0.863 587 HD11 ILE 79 HD11 ILE 79 -7.937 12.574 3.008 588 HD12 ILE 79 HD12 ILE 79 -7.643 14.278 2.659 589 HD13 ILE 79 HD13 ILE 79 -7.105 13.038 1.524 590 H ARG 80 H ARG 80 -3.584 16.535 4.200 591 HA ARG 80 HA ARG 80 -1.800 17.500 2.200 592 HB2 ARG 80 HB2 ARG 80 -2.926 18.795 4.682 593 HB3 ARG 80 HB3 ARG 80 -1.888 19.636 3.536 594 HG2 ARG 80 HG2 ARG 80 -3.530 19.133 1.750 595 HG3 ARG 80 HG3 ARG 80 -4.590 18.432 2.973 596 HD2 ARG 80 HD2 ARG 80 -4.789 20.555 4.091 597 HD3 ARG 80 HD3 ARG 80 -3.590 21.278 3.017 598 HE ARG 80 HE ARG 80 -5.674 20.260 1.450 599 HH11 ARG 80 HH11 ARG 80 -5.185 22.787 3.817 600 HH12 ARG 80 HH12 ARG 80 -6.358 23.854 3.109 601 HH21 ARG 80 HH21 ARG 80 -7.233 21.648 0.523 602 HH22 ARG 80 HH22 ARG 80 -7.521 23.205 1.239 603 H ALA 81 H ALA 81 -1.394 16.198 5.359 604 HA ALA 81 HA ALA 81 1.122 17.316 6.007 605 HB1 ALA 81 HB1 ALA 81 1.262 15.567 7.686 606 HB2 ALA 81 HB2 ALA 81 -0.353 16.277 7.664 607 HB3 ALA 81 HB3 ALA 81 -0.071 14.701 6.920 608 H ALA 82 H ALA 82 0.211 14.864 3.785 609 HA ALA 82 HA ALA 82 2.641 13.397 3.752 610 HB1 ALA 82 HB1 ALA 82 1.840 12.461 1.669 611 HB2 ALA 82 HB2 ALA 82 0.539 12.505 2.860 612 HB3 ALA 82 HB3 ALA 82 0.593 13.703 1.566 613 H LEU 83 H LEU 83 4.403 13.575 2.431 614 HA LEU 83 HA LEU 83 5.035 16.286 1.690 615 HB2 LEU 83 HB2 LEU 83 6.748 13.809 1.472 616 HB3 LEU 83 HB3 LEU 83 7.300 15.472 1.418 617 HG LEU 83 HG LEU 83 6.064 14.127 3.821 618 HD11 LEU 83 HD11 LEU 83 8.271 13.239 3.297 619 HD12 LEU 83 HD12 LEU 83 8.927 14.876 3.257 620 HD13 LEU 83 HD13 LEU 83 8.303 14.212 4.768 621 HD21 LEU 83 HD21 LEU 83 5.612 16.520 3.747 622 HD22 LEU 83 HD22 LEU 83 6.761 16.129 5.028 623 HD23 LEU 83 HD23 LEU 83 7.329 16.846 3.520 624 H ASN 84 H ASN 84 5.690 13.241 -0.048 625 HA ASN 84 HA ASN 84 5.217 14.725 -2.551 626 HB2 ASN 84 HB2 ASN 84 7.520 13.952 -2.314 627 HB3 ASN 84 HB3 ASN 84 6.959 12.306 -2.040 628 HD21 ASN 84 HD21 ASN 84 7.281 14.872 -4.390 629 HD22 ASN 84 HD22 ASN 84 7.109 13.866 -5.796 630 H ALA 85 H ALA 85 4.854 11.540 -1.045 631 HA ALA 85 HA ALA 85 2.528 11.093 -2.784 632 HB1 ALA 85 HB1 ALA 85 4.577 9.008 -2.027 633 HB2 ALA 85 HB2 ALA 85 3.115 8.733 -2.976 634 HB3 ALA 85 HB3 ALA 85 4.404 9.755 -3.615 635 H VAL 86 H VAL 86 0.761 10.304 -1.811 636 HA VAL 86 HA VAL 86 1.000 9.429 0.990 637 HB VAL 86 HB VAL 86 0.019 11.648 0.995 638 HG11 VAL 86 HG11 VAL 86 -2.096 12.137 -0.140 639 HG12 VAL 86 HG12 VAL 86 -0.814 11.735 -1.283 640 HG13 VAL 86 HG13 VAL 86 -2.055 10.543 -0.892 641 HG21 VAL 86 HG21 VAL 86 -0.843 10.062 2.624 642 HG22 VAL 86 HG22 VAL 86 -2.104 11.184 2.117 643 HG23 VAL 86 HG23 VAL 86 -2.081 9.538 1.484 644 H ARG 87 H ARG 87 -0.013 7.541 1.482 645 HA ARG 87 HA ARG 87 -1.361 6.171 -0.698 646 HB2 ARG 87 HB2 ARG 87 -1.353 4.201 0.838 647 HB3 ARG 87 HB3 ARG 87 0.237 4.818 0.439 648 HG2 ARG 87 HG2 ARG 87 0.563 5.719 2.566 649 HG3 ARG 87 HG3 ARG 87 -1.152 5.599 2.968 650 HD2 ARG 87 HD2 ARG 87 0.593 3.202 2.426 651 HD3 ARG 87 HD3 ARG 87 0.346 3.874 4.038 652 HE ARG 87 HE ARG 87 -2.164 3.414 2.867 653 HH11 ARG 87 HH11 ARG 87 0.574 1.582 4.083 654 HH12 ARG 87 HH12 ARG 87 -0.409 0.231 4.561 655 HH21 ARG 87 HH21 ARG 87 -3.427 1.653 3.489 656 HH22 ARG 87 HH22 ARG 87 -2.671 0.264 4.239 657 H LEU 88 H LEU 88 -3.404 6.575 -0.964 658 HA LEU 88 HA LEU 88 -5.120 6.801 1.414 659 HB2 LEU 88 HB2 LEU 88 -5.616 7.810 -1.392 660 HB3 LEU 88 HB3 LEU 88 -6.704 8.002 -0.033 661 HG LEU 88 HG LEU 88 -3.963 9.244 -0.290 662 HD11 LEU 88 HD11 LEU 88 -5.590 10.268 -1.770 663 HD12 LEU 88 HD12 LEU 88 -6.721 10.452 -0.430 664 HD13 LEU 88 HD13 LEU 88 -5.204 11.351 -0.433 665 HD21 LEU 88 HD21 LEU 88 -4.506 10.445 1.749 666 HD22 LEU 88 HD22 LEU 88 -6.045 9.589 1.864 667 HD23 LEU 88 HD23 LEU 88 -4.528 8.705 2.034 668 H LEU 89 H LEU 89 -6.214 5.001 1.809 669 HA LEU 89 HA LEU 89 -6.814 3.135 -0.336 670 HB2 LEU 89 HB2 LEU 89 -6.107 2.544 2.082 671 HB3 LEU 89 HB3 LEU 89 -7.761 2.920 2.511 672 HG LEU 89 HG LEU 89 -7.381 0.518 2.237 673 HD11 LEU 89 HD11 LEU 89 -9.208 1.617 0.126 674 HD12 LEU 89 HD12 LEU 89 -9.264 -0.005 0.815 675 HD13 LEU 89 HD13 LEU 89 -9.612 1.394 1.830 676 HD21 LEU 89 HD21 LEU 89 -5.637 0.587 0.555 677 HD22 LEU 89 HD22 LEU 89 -6.970 -0.441 0.033 678 HD23 LEU 89 HD23 LEU 89 -6.796 1.181 -0.634 679 H VAL 90 H VAL 90 -8.725 2.987 -1.320 680 HA VAL 90 HA VAL 90 -10.993 4.468 -0.214 681 HB VAL 90 HB VAL 90 -11.464 5.423 -2.501 682 HG11 VAL 90 HG11 VAL 90 -8.921 6.340 -1.163 683 HG12 VAL 90 HG12 VAL 90 -9.931 7.301 -2.245 684 HG13 VAL 90 HG13 VAL 90 -10.561 6.784 -0.682 685 HG21 VAL 90 HG21 VAL 90 -9.553 5.661 -4.040 686 HG22 VAL 90 HG22 VAL 90 -8.612 4.582 -3.009 687 HG23 VAL 90 HG23 VAL 90 -10.046 3.979 -3.837 688 H VAL 91 H VAL 91 -13.007 3.808 -0.942 689 HA VAL 91 HA VAL 91 -13.181 1.627 -2.865 690 HB VAL 91 HB VAL 91 -14.529 0.198 -1.504 691 HG11 VAL 91 HG11 VAL 91 -13.027 -0.481 0.308 692 HG12 VAL 91 HG12 VAL 91 -12.185 -0.200 -1.217 693 HG13 VAL 91 HG13 VAL 91 -12.104 1.003 0.071 694 HG21 VAL 91 HG21 VAL 91 -15.811 1.785 -0.261 695 HG22 VAL 91 HG22 VAL 91 -15.034 0.671 0.867 696 HG23 VAL 91 HG23 VAL 91 -14.382 2.297 0.644 697 H ASP 92 H ASP 92 -15.154 1.597 -3.951 698 HA ASP 92 HA ASP 92 -16.758 3.922 -3.917 699 HB2 ASP 92 HB2 ASP 92 -17.813 1.292 -4.920 700 HB3 ASP 92 HB3 ASP 92 -18.047 2.903 -5.588 701 HA PRO 93 HA PRO 93 -19.425 3.267 -0.416 702 HB2 PRO 93 HB2 PRO 93 -21.620 4.041 -2.285 703 HB3 PRO 93 HB3 PRO 93 -21.240 4.665 -0.677 704 HG2 PRO 93 HG2 PRO 93 -20.631 6.073 -2.853 705 HG3 PRO 93 HG3 PRO 93 -19.533 6.028 -1.459 706 HD2 PRO 93 HD2 PRO 93 -19.312 4.652 -4.097 707 HD3 PRO 93 HD3 PRO 93 -18.036 5.304 -3.050 708 H GLU 94 H GLU 94 -20.674 2.144 -3.559 709 HA GLU 94 HA GLU 94 -22.290 0.086 -2.438 710 HB2 GLU 94 HB2 GLU 94 -22.101 -0.811 -4.904 711 HB3 GLU 94 HB3 GLU 94 -23.073 0.600 -4.519 712 HG2 GLU 94 HG2 GLU 94 -20.235 0.986 -5.312 713 HG3 GLU 94 HG3 GLU 94 -21.426 0.591 -6.551 714 H THR 95 H THR 95 -18.944 0.251 -3.382 715 HA THR 95 HA THR 95 -18.488 -2.536 -3.615 716 HB THR 95 HB THR 95 -16.577 -0.276 -3.007 717 HG1 THR 95 HG1 THR 95 -16.257 -0.244 -5.185 718 HG21 THR 95 HG21 THR 95 -14.795 -1.819 -3.653 719 HG22 THR 95 HG22 THR 95 -15.660 -2.420 -2.239 720 HG23 THR 95 HG23 THR 95 -15.972 -3.120 -3.828 721 H ASP 96 H ASP 96 -18.284 -0.243 -0.952 722 HA ASP 96 HA ASP 96 -17.188 -1.929 0.995 723 HB2 ASP 96 HB2 ASP 96 -17.295 0.373 1.520 724 HB3 ASP 96 HB3 ASP 96 -19.014 0.463 1.150 725 H GLU 97 H GLU 97 -20.491 -1.469 -0.085 726 HA GLU 97 HA GLU 97 -21.826 -2.832 1.951 727 HB2 GLU 97 HB2 GLU 97 -22.595 -2.607 -0.963 728 HB3 GLU 97 HB3 GLU 97 -23.682 -3.008 0.361 729 HG2 GLU 97 HG2 GLU 97 -23.320 -0.813 1.344 730 HG3 GLU 97 HG3 GLU 97 -22.186 -0.411 0.057 731 H GLN 98 H GLN 98 -20.405 -4.051 -1.064 732 HA GLN 98 HA GLN 98 -21.135 -6.768 -0.534 733 HB2 GLN 98 HB2 GLN 98 -20.609 -5.887 -2.817 734 HB3 GLN 98 HB3 GLN 98 -18.927 -5.745 -2.330 735 HG2 GLN 98 HG2 GLN 98 -19.301 -7.755 -3.635 736 HG3 GLN 98 HG3 GLN 98 -18.806 -8.149 -1.989 737 HE21 GLN 98 HE21 GLN 98 -20.269 -9.125 -0.604 738 HE22 GLN 98 HE22 GLN 98 -21.764 -9.812 -1.161 739 H LEU 99 H LEU 99 -18.236 -4.809 -0.052 740 HA LEU 99 HA LEU 99 -16.497 -6.938 0.587 741 HB2 LEU 99 HB2 LEU 99 -16.389 -3.965 0.802 742 HB3 LEU 99 HB3 LEU 99 -15.154 -4.915 1.600 743 HG LEU 99 HG LEU 99 -14.903 -3.976 -0.898 744 HD11 LEU 99 HD11 LEU 99 -13.142 -5.617 -1.210 745 HD12 LEU 99 HD12 LEU 99 -13.179 -5.046 0.460 746 HD13 LEU 99 HD13 LEU 99 -13.844 -6.626 0.055 747 HD21 LEU 99 HD21 LEU 99 -16.780 -5.282 -1.782 748 HD22 LEU 99 HD22 LEU 99 -15.254 -5.758 -2.524 749 HD23 LEU 99 HD23 LEU 99 -15.982 -6.773 -1.278 750 H GLN 100 H GLN 100 -18.533 -4.914 2.641 751 HA GLN 100 HA GLN 100 -17.346 -5.498 5.096 752 HB2 GLN 100 HB2 GLN 100 -19.625 -5.049 6.078 753 HB3 GLN 100 HB3 GLN 100 -18.960 -3.775 5.069 754 HG2 GLN 100 HG2 GLN 100 -20.359 -4.513 3.213 755 HG3 GLN 100 HG3 GLN 100 -21.035 -5.784 4.232 756 HE21 GLN 100 HE21 GLN 100 -20.802 -2.329 3.738 757 HE22 GLN 100 HE22 GLN 100 -22.208 -1.916 4.657 758 H LYS 101 H LYS 101 -19.514 -7.422 3.139 759 HA LYS 101 HA LYS 101 -20.241 -9.311 5.124 760 HB2 LYS 101 HB2 LYS 101 -20.079 -9.659 2.125 761 HB3 LYS 101 HB3 LYS 101 -20.920 -10.730 3.234 762 HG2 LYS 101 HG2 LYS 101 -21.595 -7.839 2.748 763 HG3 LYS 101 HG3 LYS 101 -22.445 -9.225 2.063 764 HD2 LYS 101 HD2 LYS 101 -22.977 -9.972 4.373 765 HD3 LYS 101 HD3 LYS 101 -22.227 -8.496 4.984 766 HE2 LYS 101 HE2 LYS 101 -24.684 -8.322 4.833 767 HE3 LYS 101 HE3 LYS 101 -23.857 -7.141 3.820 768 HZ1 LYS 101 HZ1 LYS 101 -24.897 -9.728 2.800 769 HZ2 LYS 101 HZ2 LYS 101 -25.778 -8.277 2.739 770 HZ3 LYS 101 HZ3 LYS 101 -24.315 -8.420 1.891 771 H LEU 102 H LEU 102 -17.377 -8.818 3.320 772 HA LEU 102 HA LEU 102 -16.304 -11.448 3.384 773 HB2 LEU 102 HB2 LEU 102 -15.092 -8.711 3.050 774 HB3 LEU 102 HB3 LEU 102 -14.120 -10.165 3.038 775 HG LEU 102 HG LEU 102 -15.134 -10.913 1.011 776 HD11 LEU 102 HD11 LEU 102 -17.424 -10.298 1.311 777 HD12 LEU 102 HD12 LEU 102 -17.010 -8.586 1.266 778 HD13 LEU 102 HD13 LEU 102 -16.829 -9.576 -0.183 779 HD21 LEU 102 HD21 LEU 102 -14.474 -7.985 0.892 780 HD22 LEU 102 HD22 LEU 102 -13.337 -9.329 0.769 781 HD23 LEU 102 HD23 LEU 102 -14.536 -9.069 -0.498 782 H GLY 103 H GLY 103 -14.700 -8.708 4.916 783 HA2 GLY 103 HA2 GLY 103 -13.843 -8.440 7.046 784 HA3 GLY 103 HA3 GLY 103 -14.820 -9.806 7.563 785 H VAL 104 H VAL 104 -13.042 -10.733 4.906 786 HA VAL 104 HA VAL 104 -11.266 -12.287 6.603 787 HB VAL 104 HB VAL 104 -11.543 -12.445 3.596 788 HG11 VAL 104 HG11 VAL 104 -10.576 -14.659 3.845 789 HG12 VAL 104 HG12 VAL 104 -9.505 -13.444 4.545 790 HG13 VAL 104 HG13 VAL 104 -10.500 -14.451 5.595 791 HG21 VAL 104 HG21 VAL 104 -13.054 -14.343 3.984 792 HG22 VAL 104 HG22 VAL 104 -12.998 -14.026 5.718 793 HG23 VAL 104 HG23 VAL 104 -13.715 -12.840 4.627 794 H GLN 105 H GLN 105 -10.159 -10.228 7.154 795 HA GLN 105 HA GLN 105 -8.441 -8.726 7.015 796 HB2 GLN 105 HB2 GLN 105 -6.299 -9.787 6.784 797 HB3 GLN 105 HB3 GLN 105 -7.398 -10.888 7.597 798 HG2 GLN 105 HG2 GLN 105 -7.659 -12.190 5.593 799 HG3 GLN 105 HG3 GLN 105 -6.698 -11.031 4.674 800 HE21 GLN 105 HE21 GLN 105 -5.942 -12.008 7.938 801 HE22 GLN 105 HE22 GLN 105 -4.496 -12.879 7.552 802 H VAL 106 H VAL 106 -10.045 -8.412 4.707 803 HA VAL 106 HA VAL 106 -8.355 -8.470 2.382 804 HB VAL 106 HB VAL 106 -10.860 -8.932 2.416 805 HG11 VAL 106 HG11 VAL 106 -10.974 -5.924 2.480 806 HG12 VAL 106 HG12 VAL 106 -12.328 -6.981 2.079 807 HG13 VAL 106 HG13 VAL 106 -11.614 -7.035 3.692 808 HG21 VAL 106 HG21 VAL 106 -9.756 -6.997 0.386 809 HG22 VAL 106 HG22 VAL 106 -9.619 -8.757 0.345 810 HG23 VAL 106 HG23 VAL 106 -11.199 -7.989 0.168 811 H ARG 107 H ARG 107 -8.295 -6.468 4.884 812 HA ARG 107 HA ARG 107 -8.847 -3.904 3.885 813 HB2 ARG 107 HB2 ARG 107 -7.665 -3.075 5.875 814 HB3 ARG 107 HB3 ARG 107 -8.772 -4.381 6.274 815 HG2 ARG 107 HG2 ARG 107 -6.973 -5.939 6.489 816 HG3 ARG 107 HG3 ARG 107 -5.818 -4.769 5.850 817 HD2 ARG 107 HD2 ARG 107 -6.354 -3.316 7.827 818 HD3 ARG 107 HD3 ARG 107 -7.279 -4.669 8.483 819 HE ARG 107 HE ARG 107 -4.684 -5.547 7.811 820 HH11 ARG 107 HH11 ARG 107 -6.367 -3.588 10.176 821 HH12 ARG 107 HH12 ARG 107 -5.152 -3.800 11.401 822 HH21 ARG 107 HH21 ARG 107 -3.087 -5.830 9.439 823 HH22 ARG 107 HH22 ARG 107 -3.303 -5.077 10.987 824 H GLU 108 H GLU 108 -5.726 -5.623 4.139 825 HA GLU 108 HA GLU 108 -4.563 -3.741 2.233 826 HB2 GLU 108 HB2 GLU 108 -3.431 -4.207 4.995 827 HB3 GLU 108 HB3 GLU 108 -2.581 -3.389 3.697 828 HG2 GLU 108 HG2 GLU 108 -4.224 -1.614 3.703 829 HG3 GLU 108 HG3 GLU 108 -5.154 -2.458 4.944 830 H GLU 109 H GLU 109 -4.648 -6.796 3.787 831 HA GLU 109 HA GLU 109 -2.015 -7.643 3.461 832 HB2 GLU 109 HB2 GLU 109 -4.369 -9.512 3.374 833 HB3 GLU 109 HB3 GLU 109 -2.758 -9.816 4.007 834 HG2 GLU 109 HG2 GLU 109 -4.968 -8.186 5.209 835 HG3 GLU 109 HG3 GLU 109 -4.137 -9.582 5.887 836 H LEU 110 H LEU 110 -4.758 -7.850 1.264 837 HA LEU 110 HA LEU 110 -3.504 -9.614 -0.578 838 HB2 LEU 110 HB2 LEU 110 -5.899 -7.806 -0.842 839 HB3 LEU 110 HB3 LEU 110 -5.346 -8.845 -2.140 840 HG LEU 110 HG LEU 110 -7.123 -9.988 -1.115 841 HD11 LEU 110 HD11 LEU 110 -6.108 -11.997 -0.229 842 HD12 LEU 110 HD12 LEU 110 -5.178 -11.383 -1.597 843 HD13 LEU 110 HD13 LEU 110 -4.596 -11.132 0.049 844 HD21 LEU 110 HD21 LEU 110 -7.264 -10.421 1.290 845 HD22 LEU 110 HD22 LEU 110 -5.816 -9.446 1.546 846 HD23 LEU 110 HD23 LEU 110 -7.288 -8.695 0.927 847 H LEU 111 H LEU 111 -3.259 -6.229 -0.065 848 HA LEU 111 HA LEU 111 -2.640 -5.370 -2.675 849 HB2 LEU 111 HB2 LEU 111 -1.749 -4.274 -0.006 850 HB3 LEU 111 HB3 LEU 111 -1.540 -3.456 -1.542 851 HG LEU 111 HG LEU 111 -4.220 -4.192 -0.365 852 HD11 LEU 111 HD11 LEU 111 -2.791 -1.540 -0.427 853 HD12 LEU 111 HD12 LEU 111 -4.452 -1.800 0.102 854 HD13 LEU 111 HD13 LEU 111 -3.118 -2.513 1.007 855 HD21 LEU 111 HD21 LEU 111 -4.208 -4.048 -2.802 856 HD22 LEU 111 HD22 LEU 111 -5.098 -2.702 -2.090 857 HD23 LEU 111 HD23 LEU 111 -3.467 -2.450 -2.709 858 H ARG 112 H ARG 112 -0.683 -6.713 -0.082 859 HA ARG 112 HA ARG 112 1.434 -7.161 -2.045 860 HB2 ARG 112 HB2 ARG 112 2.915 -7.010 0.174 861 HB3 ARG 112 HB3 ARG 112 2.630 -5.646 -0.888 862 HG2 ARG 112 HG2 ARG 112 2.324 -4.858 1.309 863 HG3 ARG 112 HG3 ARG 112 0.713 -5.016 0.612 864 HD2 ARG 112 HD2 ARG 112 0.481 -7.201 1.746 865 HD3 ARG 112 HD3 ARG 112 2.054 -6.944 2.505 866 HE ARG 112 HE ARG 112 0.554 -4.712 3.116 867 HH11 ARG 112 HH11 ARG 112 0.398 -8.151 3.732 868 HH12 ARG 112 HH12 ARG 112 -0.595 -7.981 5.153 869 HH21 ARG 112 HH21 ARG 112 -0.720 -4.485 5.012 870 HH22 ARG 112 HH22 ARG 112 -1.213 -5.913 5.881 871 H ALA 113 H ALA 113 -0.365 -8.976 -1.757 872 HA ALA 113 HA ALA 113 0.660 -11.031 0.062 873 HB1 ALA 113 HB1 ALA 113 -1.741 -10.678 0.105 874 HB2 ALA 113 HB2 ALA 113 -1.832 -10.958 -1.633 875 HB3 ALA 113 HB3 ALA 113 -1.375 -12.275 -0.551 876 H GLN 114 H GLN 114 0.110 -13.335 -1.310 877 HA GLN 114 HA GLN 114 2.055 -13.139 -3.479 878 HB2 GLN 114 HB2 GLN 114 1.047 -15.517 -1.929 879 HB3 GLN 114 HB3 GLN 114 2.101 -15.649 -3.333 880 HG2 GLN 114 HG2 GLN 114 3.780 -14.298 -2.205 881 HG3 GLN 114 HG3 GLN 114 2.727 -14.170 -0.807 882 HE21 GLN 114 HE21 GLN 114 2.351 -16.029 0.467 883 HE22 GLN 114 HE22 GLN 114 3.449 -17.372 0.424 884 H GLU 115 H GLU 115 1.704 -14.895 -5.161 885 HA GLU 115 HA GLU 115 0.672 -15.418 -7.109 886 HB2 GLU 115 HB2 GLU 115 -1.031 -16.500 -5.630 887 HB3 GLU 115 HB3 GLU 115 -1.955 -15.006 -5.680 888 HG2 GLU 115 HG2 GLU 115 -2.164 -15.225 -8.112 889 HG3 GLU 115 HG3 GLU 115 -1.266 -16.741 -8.041 890 H ALA 116 H ALA 116 0.548 -14.197 -8.836 891 HA ALA 116 HA ALA 116 0.037 -11.350 -8.383 892 HB1 ALA 116 HB1 ALA 116 2.259 -11.948 -9.178 893 HB2 ALA 116 HB2 ALA 116 1.555 -12.714 -10.601 894 HB3 ALA 116 HB3 ALA 116 1.402 -10.972 -10.369 895 HA PRO 117 HA PRO 117 -3.387 -11.740 -11.278 896 HB2 PRO 117 HB2 PRO 117 -4.870 -9.769 -10.190 897 HB3 PRO 117 HB3 PRO 117 -4.817 -11.392 -9.500 898 HG2 PRO 117 HG2 PRO 117 -3.625 -8.890 -8.506 899 HG3 PRO 117 HG3 PRO 117 -4.052 -10.361 -7.620 900 HD2 PRO 117 HD2 PRO 117 -1.465 -9.547 -8.568 901 HD3 PRO 117 HD3 PRO 117 -1.891 -11.021 -7.680 902 H GLY 118 H GLY 118 -3.002 -10.843 -13.235 903 HA2 GLY 118 HA2 GLY 118 -3.191 -8.098 -13.732 904 HA3 GLY 118 HA3 GLY 118 -1.483 -8.498 -13.614 905 H GLN 119 H GLN 119 -4.160 -8.350 -15.622 906 HA GLN 119 HA GLN 119 -3.080 -10.247 -17.566 907 HB2 GLN 119 HB2 GLN 119 -5.662 -8.765 -17.265 908 HB3 GLN 119 HB3 GLN 119 -5.182 -9.326 -18.859 909 HG2 GLN 119 HG2 GLN 119 -6.702 -10.865 -17.656 910 HG3 GLN 119 HG3 GLN 119 -5.181 -11.595 -18.150 911 HE21 GLN 119 HE21 GLN 119 -3.770 -12.329 -16.617 912 HE22 GLN 119 HE22 GLN 119 -4.165 -12.429 -14.934 913 H ALA 120 H ALA 120 -1.462 -9.492 -18.735 914 HA ALA 120 HA ALA 120 -1.792 -7.230 -20.442 915 HB1 ALA 120 HB1 ALA 120 -1.190 -6.002 -18.435 916 HB2 ALA 120 HB2 ALA 120 0.238 -7.014 -18.215 917 HB3 ALA 120 HB3 ALA 120 0.129 -5.927 -19.601 918 H1 GLN 1 HT1 GLN 1 -15.677 23.692 4.127 919 H2 GLN 1 HT2 GLN 1 -17.140 24.538 4.269 920 H3 GLN 1 HT3 GLN 1 -16.453 24.287 2.740 921 HA GLN 1 HA GLN 1 -17.472 22.167 4.543 922 HB2 GLN 1 HB2 GLN 1 -18.965 23.915 3.057 923 HB3 GLN 1 HB3 GLN 1 -18.709 22.611 1.901 924 HG2 GLN 1 HG2 GLN 1 -19.850 22.266 4.662 925 HG3 GLN 1 HG3 GLN 1 -20.800 22.401 3.186 926 HE21 GLN 1 HE21 GLN 1 -20.554 20.251 5.175 927 HE22 GLN 1 HE22 GLN 1 -20.123 18.831 4.262 928 H ASP 2 H ASP 2 -17.043 22.669 1.055 929 HA ASP 2 HA ASP 2 -15.843 20.075 0.736 930 HB2 ASP 2 HB2 ASP 2 -17.285 20.907 -1.019 931 HB3 ASP 2 HB3 ASP 2 -16.309 22.360 -1.194 932 H THR 3 H THR 3 -13.776 19.660 1.016 933 HA THR 3 HA THR 3 -11.878 21.906 1.060 934 HB THR 3 HB THR 3 -10.475 20.159 2.381 935 HG1 THR 3 HG1 THR 3 -12.124 18.483 1.841 936 HG21 THR 3 HG21 THR 3 -11.605 20.785 4.495 937 HG22 THR 3 HG22 THR 3 -11.355 22.162 3.422 938 HG23 THR 3 HG23 THR 3 -12.954 21.427 3.556 939 H ARG 4 H ARG 4 -10.651 22.027 -0.717 940 HA ARG 4 HA ARG 4 -10.364 19.724 -2.441 941 HB2 ARG 4 HB2 ARG 4 -10.628 22.258 -3.099 942 HB3 ARG 4 HB3 ARG 4 -8.880 22.283 -2.897 943 HG2 ARG 4 HG2 ARG 4 -9.101 20.108 -4.432 944 HG3 ARG 4 HG3 ARG 4 -10.535 20.981 -4.966 945 HD2 ARG 4 HD2 ARG 4 -8.875 21.703 -6.428 946 HD3 ARG 4 HD3 ARG 4 -8.968 22.994 -5.231 947 HE ARG 4 HE ARG 4 -7.027 21.404 -4.236 948 HH11 ARG 4 HH11 ARG 4 -7.543 22.769 -7.417 949 HH12 ARG 4 HH12 ARG 4 -5.849 22.899 -7.775 950 HH21 ARG 4 HH21 ARG 4 -4.806 21.519 -4.714 951 HH22 ARG 4 HH22 ARG 4 -4.292 22.200 -6.235 952 H LEU 5 H LEU 5 -8.313 18.965 -3.212 953 HA LEU 5 HA LEU 5 -6.081 19.425 -1.360 954 HB2 LEU 5 HB2 LEU 5 -7.041 16.864 -2.621 955 HB3 LEU 5 HB3 LEU 5 -5.456 17.027 -1.893 956 HG LEU 5 HG LEU 5 -8.073 17.425 -0.439 957 HD11 LEU 5 HD11 LEU 5 -7.526 15.310 0.671 958 HD12 LEU 5 HD12 LEU 5 -7.790 15.109 -1.062 959 HD13 LEU 5 HD13 LEU 5 -6.149 15.111 -0.412 960 HD21 LEU 5 HD21 LEU 5 -6.258 18.745 0.505 961 HD22 LEU 5 HD22 LEU 5 -6.685 17.408 1.574 962 HD23 LEU 5 HD23 LEU 5 -5.236 17.309 0.576 Start of MODEL 16 1 H1 GLY 4 HT1 GLY 4 -17.614 -20.891 2.549 2 H2 GLY 4 HT2 GLY 4 -18.718 -21.241 1.311 3 H3 GLY 4 HT3 GLY 4 -19.095 -21.628 2.919 4 HA2 GLY 4 HA3 GLY 4 -20.285 -19.651 2.186 5 HA3 GLY 4 HA2 GLY 4 -19.193 -19.323 3.525 6 H ILE 5 H ILE 5 -18.732 -17.258 3.180 7 HA ILE 5 HA ILE 5 -18.014 -15.342 2.275 8 HB ILE 5 HB ILE 5 -15.762 -15.414 1.201 9 HG12 ILE 5 HG12 ILE 5 -14.603 -17.727 1.557 10 HG13 ILE 5 HG13 ILE 5 -16.230 -18.377 1.388 11 HG21 ILE 5 HG21 ILE 5 -14.630 -16.180 3.241 12 HG22 ILE 5 HG22 ILE 5 -16.034 -15.166 3.581 13 HG23 ILE 5 HG23 ILE 5 -16.140 -16.915 3.782 14 HD11 ILE 5 HD11 ILE 5 -16.400 -17.334 -0.823 15 HD12 ILE 5 HD12 ILE 5 -14.755 -16.721 -0.651 16 HD13 ILE 5 HD13 ILE 5 -15.046 -18.459 -0.717 17 H ASP 6 H ASP 6 -16.757 -14.490 0.073 18 HA ASP 6 HA ASP 6 -18.754 -14.953 -2.045 19 HB2 ASP 6 HB2 ASP 6 -17.512 -12.404 -1.007 20 HB3 ASP 6 HB3 ASP 6 -18.208 -12.486 -2.620 21 HA PRO 7 HA PRO 7 -15.441 -15.406 -5.036 22 HB2 PRO 7 HB2 PRO 7 -16.190 -13.627 -6.987 23 HB3 PRO 7 HB3 PRO 7 -16.881 -15.244 -6.800 24 HG2 PRO 7 HG2 PRO 7 -17.947 -12.598 -5.909 25 HG3 PRO 7 HG3 PRO 7 -18.814 -13.973 -6.618 26 HD2 PRO 7 HD2 PRO 7 -18.884 -13.460 -3.985 27 HD3 PRO 7 HD3 PRO 7 -18.888 -15.120 -4.613 28 H PHE 8 H PHE 8 -15.147 -13.305 -2.936 29 HA PHE 8 HA PHE 8 -14.059 -11.439 -2.366 30 HB2 PHE 8 HB2 PHE 8 -12.363 -12.317 -4.692 31 HB3 PHE 8 HB3 PHE 8 -11.933 -10.998 -3.616 32 HD1 PHE 8 HD1 PHE 8 -11.358 -11.430 -1.280 33 HD2 PHE 8 HD2 PHE 8 -12.181 -14.599 -3.998 34 HE1 PHE 8 HE1 PHE 8 -10.328 -13.027 0.279 35 HE2 PHE 8 HE2 PHE 8 -11.153 -16.204 -2.443 36 HZ PHE 8 HZ PHE 8 -10.223 -15.417 -0.300 37 H THR 9 H THR 9 -13.216 -10.968 -5.645 38 HA THR 9 HA THR 9 -13.402 -9.250 -7.082 39 HB THR 9 HB THR 9 -15.599 -10.473 -7.314 40 HG1 THR 9 HG1 THR 9 -16.031 -9.149 -8.930 41 HG21 THR 9 HG21 THR 9 -17.623 -9.083 -6.768 42 HG22 THR 9 HG22 THR 9 -16.818 -9.817 -5.381 43 HG23 THR 9 HG23 THR 9 -16.585 -8.100 -5.732 44 H MET 10 H MET 10 -14.101 -6.999 -7.508 45 HA MET 10 HA MET 10 -13.988 -4.787 -7.000 46 HB2 MET 10 HB2 MET 10 -15.713 -5.701 -4.695 47 HB3 MET 10 HB3 MET 10 -15.491 -4.025 -5.173 48 HG2 MET 10 HG2 MET 10 -16.448 -4.572 -7.382 49 HG3 MET 10 HG3 MET 10 -16.751 -6.212 -6.810 50 HE1 MET 10 HE1 MET 10 -20.358 -4.711 -6.905 51 HE2 MET 10 HE2 MET 10 -19.039 -4.498 -8.056 52 HE3 MET 10 HE3 MET 10 -19.346 -6.084 -7.352 53 H LEU 11 H LEU 11 -11.740 -6.189 -6.136 54 HA LEU 11 HA LEU 11 -11.047 -5.747 -3.447 55 HB2 LEU 11 HB2 LEU 11 -9.215 -5.944 -5.849 56 HB3 LEU 11 HB3 LEU 11 -8.708 -6.048 -4.176 57 HG LEU 11 HG LEU 11 -8.722 -8.253 -4.954 58 HD11 LEU 11 HD11 LEU 11 -11.343 -7.852 -3.531 59 HD12 LEU 11 HD12 LEU 11 -10.448 -9.366 -3.661 60 HD13 LEU 11 HD13 LEU 11 -9.759 -8.010 -2.770 61 HD21 LEU 11 HD21 LEU 11 -9.953 -7.930 -7.021 62 HD22 LEU 11 HD22 LEU 11 -10.593 -9.304 -6.119 63 HD23 LEU 11 HD23 LEU 11 -11.460 -7.768 -6.116 64 HA PRO 12 HA PRO 12 -10.766 -1.348 -3.452 65 HB2 PRO 12 HB2 PRO 12 -9.317 -1.068 -1.143 66 HB3 PRO 12 HB3 PRO 12 -11.055 -1.383 -1.186 67 HG2 PRO 12 HG2 PRO 12 -8.790 -3.288 -0.762 68 HG3 PRO 12 HG3 PRO 12 -10.361 -3.213 0.059 69 HD2 PRO 12 HD2 PRO 12 -9.841 -5.009 -1.887 70 HD3 PRO 12 HD3 PRO 12 -11.452 -4.298 -1.668 71 H ARG 13 H ARG 13 -9.385 0.187 -4.146 72 HA ARG 13 HA ARG 13 -6.717 -0.767 -4.876 73 HB2 ARG 13 HB2 ARG 13 -6.725 1.247 -6.393 74 HB3 ARG 13 HB3 ARG 13 -7.929 0.021 -6.757 75 HG2 ARG 13 HG2 ARG 13 -9.621 1.375 -5.575 76 HG3 ARG 13 HG3 ARG 13 -8.401 2.623 -5.322 77 HD2 ARG 13 HD2 ARG 13 -9.808 3.153 -7.241 78 HD3 ARG 13 HD3 ARG 13 -8.141 2.867 -7.740 79 HE ARG 13 HE ARG 13 -9.386 0.435 -8.007 80 HH11 ARG 13 HH11 ARG 13 -9.960 3.658 -9.258 81 HH12 ARG 13 HH12 ARG 13 -10.604 3.089 -10.765 82 HH21 ARG 13 HH21 ARG 13 -10.264 -0.311 -9.988 83 HH22 ARG 13 HH22 ARG 13 -10.821 0.844 -11.167 84 H LEU 14 H LEU 14 -4.964 -0.081 -3.907 85 HA LEU 14 HA LEU 14 -5.064 2.144 -2.049 86 HB2 LEU 14 HB2 LEU 14 -3.810 0.096 -1.470 87 HB3 LEU 14 HB3 LEU 14 -2.764 0.351 -2.854 88 HG LEU 14 HG LEU 14 -1.976 2.468 -1.835 89 HD11 LEU 14 HD11 LEU 14 -3.961 2.955 -0.492 90 HD12 LEU 14 HD12 LEU 14 -3.603 1.573 0.542 91 HD13 LEU 14 HD13 LEU 14 -2.501 2.947 0.495 92 HD21 LEU 14 HD21 LEU 14 -0.646 1.419 -0.040 93 HD22 LEU 14 HD22 LEU 14 -1.682 -0.006 -0.134 94 HD23 LEU 14 HD23 LEU 14 -0.683 0.450 -1.512 95 H CYS 15 H CYS 15 -4.975 4.104 -2.914 96 HA CYS 15 HA CYS 15 -3.698 4.414 -5.527 97 HB2 CYS 15 HB2 CYS 15 -5.580 6.287 -4.080 98 HB3 CYS 15 HB3 CYS 15 -5.059 6.410 -5.759 99 HG CYS 15 HG CYS 15 -7.121 4.033 -4.416 100 H CYS 16 H CYS 16 -1.625 4.999 -5.376 101 HA CYS 16 HA CYS 16 -0.694 6.754 -3.288 102 HB2 CYS 16 HB2 CYS 16 0.763 5.986 -5.821 103 HB3 CYS 16 HB3 CYS 16 1.463 6.526 -4.300 104 HG CYS 16 HG CYS 16 0.128 3.484 -5.048 105 H LEU 17 H LEU 17 -1.372 8.820 -3.377 106 HA LEU 17 HA LEU 17 -1.740 10.075 -5.976 107 HB2 LEU 17 HB2 LEU 17 -2.602 10.748 -3.201 108 HB3 LEU 17 HB3 LEU 17 -2.437 12.052 -4.365 109 HG LEU 17 HG LEU 17 -4.031 10.850 -5.861 110 HD11 LEU 17 HD11 LEU 17 -3.695 8.584 -5.000 111 HD12 LEU 17 HD12 LEU 17 -4.444 9.060 -3.475 112 HD13 LEU 17 HD13 LEU 17 -5.394 9.056 -4.961 113 HD21 LEU 17 HD21 LEU 17 -4.779 12.645 -4.413 114 HD22 LEU 17 HD22 LEU 17 -6.020 11.401 -4.555 115 HD23 LEU 17 HD23 LEU 17 -5.030 11.499 -3.098 116 H GLU 18 H GLU 18 -0.669 11.800 -6.689 117 HA GLU 18 HA GLU 18 1.949 12.249 -5.468 118 HB2 GLU 18 HB2 GLU 18 2.107 11.379 -7.677 119 HB3 GLU 18 HB3 GLU 18 0.886 12.486 -8.280 120 HG2 GLU 18 HG2 GLU 18 2.433 14.352 -7.957 121 HG3 GLU 18 HG3 GLU 18 3.657 13.223 -7.374 122 H LYS 19 H LYS 19 2.448 14.175 -4.642 123 HA LYS 19 HA LYS 19 0.572 16.304 -4.544 124 HB2 LYS 19 HB2 LYS 19 2.127 16.015 -2.719 125 HB3 LYS 19 HB3 LYS 19 3.499 16.179 -3.803 126 HG2 LYS 19 HG2 LYS 19 3.189 18.199 -2.505 127 HG3 LYS 19 HG3 LYS 19 2.899 18.515 -4.215 128 HD2 LYS 19 HD2 LYS 19 1.206 19.646 -2.972 129 HD3 LYS 19 HD3 LYS 19 0.449 18.260 -3.759 130 HE2 LYS 19 HE2 LYS 19 -0.372 18.384 -1.519 131 HE3 LYS 19 HE3 LYS 19 0.710 16.996 -1.629 132 HZ1 LYS 19 HZ1 LYS 19 2.478 18.480 -0.695 133 HZ2 LYS 19 HZ2 LYS 19 1.282 19.642 -0.410 134 HZ3 LYS 19 HZ3 LYS 19 1.207 18.140 0.373 135 H GLY 20 H GLY 20 0.051 17.375 -6.295 136 HA2 GLY 20 HA2 GLY 20 2.036 17.996 -8.330 137 HA3 GLY 20 HA3 GLY 20 0.312 18.342 -8.408 138 HA PRO 21 HA PRO 21 2.556 22.325 -7.784 139 HB2 PRO 21 HB2 PRO 21 0.638 23.803 -9.088 140 HB3 PRO 21 HB3 PRO 21 2.034 23.063 -9.876 141 HG2 PRO 21 HG2 PRO 21 -0.788 22.097 -9.714 142 HG3 PRO 21 HG3 PRO 21 0.337 22.053 -11.084 143 HD2 PRO 21 HD2 PRO 21 -0.165 19.876 -9.588 144 HD3 PRO 21 HD3 PRO 21 1.438 20.184 -10.284 145 H ASN 22 H ASN 22 -0.847 21.515 -7.287 146 HA ASN 22 HA ASN 22 -0.903 23.372 -5.018 147 HB2 ASN 22 HB2 ASN 22 -3.225 24.055 -5.712 148 HB3 ASN 22 HB3 ASN 22 -1.932 24.644 -6.748 149 HD21 ASN 22 HD21 ASN 22 -3.252 24.931 -8.500 150 HD22 ASN 22 HD22 ASN 22 -3.914 23.607 -9.410 151 H GLY 23 H GLY 23 -0.672 20.490 -5.053 152 HA2 GLY 23 HA2 GLY 23 -1.674 19.294 -3.146 153 HA3 GLY 23 HA3 GLY 23 -3.234 19.849 -3.732 154 H TYR 24 H TYR 24 -4.249 17.980 -4.182 155 HA TYR 24 HA TYR 24 -2.817 16.041 -5.887 156 HB2 TYR 24 HB2 TYR 24 -5.072 15.437 -3.964 157 HB3 TYR 24 HB3 TYR 24 -4.056 14.277 -4.824 158 HD1 TYR 24 HD1 TYR 24 -1.484 14.500 -4.372 159 HD2 TYR 24 HD2 TYR 24 -4.509 16.004 -1.785 160 HE1 TYR 24 HE1 TYR 24 0.131 14.555 -2.527 161 HE2 TYR 24 HE2 TYR 24 -2.898 16.054 0.074 162 HH TYR 24 HH TYR 24 -0.785 14.972 0.713 163 H GLY 25 H GLY 25 -5.732 17.886 -5.388 164 HA2 GLY 25 HA2 GLY 25 -6.759 18.835 -7.311 165 HA3 GLY 25 HA3 GLY 25 -6.240 17.446 -8.244 166 H PHE 26 H PHE 26 -7.827 16.956 -5.142 167 HA PHE 26 HA PHE 26 -10.358 16.598 -6.595 168 HB2 PHE 26 HB2 PHE 26 -10.867 14.559 -5.357 169 HB3 PHE 26 HB3 PHE 26 -9.386 14.363 -6.290 170 HD1 PHE 26 HD1 PHE 26 -7.168 14.675 -5.019 171 HD2 PHE 26 HD2 PHE 26 -10.915 14.053 -3.110 172 HE1 PHE 26 HE1 PHE 26 -6.006 13.904 -2.995 173 HE2 PHE 26 HE2 PHE 26 -9.759 13.284 -1.079 174 HZ PHE 26 HZ PHE 26 -7.300 13.207 -1.023 175 H HIS 27 H HIS 27 -12.249 16.667 -5.234 176 HA HIS 27 HA HIS 27 -11.793 18.492 -2.978 177 HB2 HIS 27 HB2 HIS 27 -14.259 18.020 -4.672 178 HB3 HIS 27 HB3 HIS 27 -14.240 19.035 -3.236 179 HD1 HIS 27 HD1 HIS 27 -13.391 21.413 -3.501 180 HD2 HIS 27 HD2 HIS 27 -12.774 19.067 -6.879 181 HE1 HIS 27 HE1 HIS 27 -12.680 23.003 -5.306 182 HE2 HIS 27 HE2 HIS 27 -12.608 21.596 -7.394 183 H LEU 28 H LEU 28 -12.113 17.781 -1.005 184 HA LEU 28 HA LEU 28 -13.328 15.139 -0.654 185 HB2 LEU 28 HB2 LEU 28 -11.009 15.894 0.284 186 HB3 LEU 28 HB3 LEU 28 -11.954 16.743 1.489 187 HG LEU 28 HG LEU 28 -11.091 14.534 2.242 188 HD11 LEU 28 HD11 LEU 28 -13.041 15.504 3.326 189 HD12 LEU 28 HD12 LEU 28 -14.092 14.739 2.133 190 HD13 LEU 28 HD13 LEU 28 -13.161 13.744 3.253 191 HD21 LEU 28 HD21 LEU 28 -11.239 13.318 0.158 192 HD22 LEU 28 HD22 LEU 28 -12.179 12.499 1.407 193 HD23 LEU 28 HD23 LEU 28 -12.997 13.459 0.174 194 H HIS 29 H HIS 29 -15.295 14.978 0.104 195 HA HIS 29 HA HIS 29 -16.600 17.404 1.126 196 HB2 HIS 29 HB2 HIS 29 -17.769 16.769 -0.792 197 HB3 HIS 29 HB3 HIS 29 -17.501 15.056 -0.518 198 HD1 HIS 29 HD1 HIS 29 -19.730 17.899 0.582 199 HD2 HIS 29 HD2 HIS 29 -19.524 13.748 0.819 200 HE1 HIS 29 HE1 HIS 29 -21.952 17.155 1.498 201 HE2 HIS 29 HE2 HIS 29 -21.871 14.632 1.434 202 H GLY 30 H GLY 30 -17.688 17.354 3.052 203 HA2 GLY 30 HA2 GLY 30 -17.266 14.896 4.639 204 HA3 GLY 30 HA3 GLY 30 -17.055 16.511 5.292 205 H GLU 31 H GLU 31 -18.690 14.504 6.378 206 HA GLU 31 HA GLU 31 -21.368 15.638 5.998 207 HB2 GLU 31 HB2 GLU 31 -20.474 13.084 7.351 208 HB3 GLU 31 HB3 GLU 31 -22.131 13.674 7.358 209 HG2 GLU 31 HG2 GLU 31 -22.078 13.587 4.858 210 HG3 GLU 31 HG3 GLU 31 -20.516 12.778 4.988 211 H LYS 32 H LYS 32 -22.569 16.276 7.864 212 HA LYS 32 HA LYS 32 -20.816 17.622 9.738 213 HB2 LYS 32 HB2 LYS 32 -23.803 17.815 9.332 214 HB3 LYS 32 HB3 LYS 32 -22.882 18.795 10.466 215 HG2 LYS 32 HG2 LYS 32 -22.592 18.767 7.470 216 HG3 LYS 32 HG3 LYS 32 -23.293 20.051 8.454 217 HD2 LYS 32 HD2 LYS 32 -20.435 19.111 8.677 218 HD3 LYS 32 HD3 LYS 32 -20.949 20.490 7.705 219 HE2 LYS 32 HE2 LYS 32 -21.376 20.217 10.678 220 HE3 LYS 32 HE3 LYS 32 -20.065 21.127 9.929 221 HZ1 LYS 32 HZ1 LYS 32 -21.735 22.528 8.847 222 HZ2 LYS 32 HZ2 LYS 32 -22.971 21.677 9.636 223 HZ3 LYS 32 HZ3 LYS 32 -21.863 22.588 10.538 224 H GLY 33 H GLY 33 -20.273 15.405 10.531 225 HA2 GLY 33 HA2 GLY 33 -21.618 15.142 13.103 226 HA3 GLY 33 HA3 GLY 33 -21.510 13.690 12.110 227 H LYS 34 H LYS 34 -19.843 12.431 12.597 228 HA LYS 34 HA LYS 34 -17.331 13.715 13.457 229 HB2 LYS 34 HB2 LYS 34 -18.255 10.850 13.781 230 HB3 LYS 34 HB3 LYS 34 -16.675 11.452 14.258 231 HG2 LYS 34 HG2 LYS 34 -17.817 13.007 15.826 232 HG3 LYS 34 HG3 LYS 34 -19.340 12.206 15.424 233 HD2 LYS 34 HD2 LYS 34 -18.412 10.068 16.183 234 HD3 LYS 34 HD3 LYS 34 -16.895 10.871 16.591 235 HE2 LYS 34 HE2 LYS 34 -18.161 10.602 18.600 236 HE3 LYS 34 HE3 LYS 34 -18.166 12.312 18.175 237 HZ1 LYS 34 HZ1 LYS 34 -20.367 10.395 17.620 238 HZ2 LYS 34 HZ2 LYS 34 -20.351 11.545 18.869 239 HZ3 LYS 34 HZ3 LYS 34 -20.376 12.053 17.251 240 H LEU 35 H LEU 35 -18.456 10.868 11.678 241 HA LEU 35 HA LEU 35 -16.060 10.993 10.029 242 HB2 LEU 35 HB2 LEU 35 -16.755 8.740 9.245 243 HB3 LEU 35 HB3 LEU 35 -16.417 8.840 10.958 244 HG LEU 35 HG LEU 35 -19.254 9.124 10.114 245 HD11 LEU 35 HD11 LEU 35 -18.453 7.278 8.728 246 HD12 LEU 35 HD12 LEU 35 -17.767 6.500 10.154 247 HD13 LEU 35 HD13 LEU 35 -19.515 6.693 10.011 248 HD21 LEU 35 HD21 LEU 35 -18.615 9.284 12.473 249 HD22 LEU 35 HD22 LEU 35 -19.605 7.854 12.181 250 HD23 LEU 35 HD23 LEU 35 -17.860 7.693 12.379 251 H GLY 36 H GLY 36 -16.086 11.210 7.844 252 HA2 GLY 36 HA2 GLY 36 -18.286 11.089 6.154 253 HA3 GLY 36 HA3 GLY 36 -18.200 12.740 6.753 254 H GLN 37 H GLN 37 -16.233 10.226 5.197 255 HA GLN 37 HA GLN 37 -14.817 12.388 3.780 256 HB2 GLN 37 HB2 GLN 37 -13.860 9.562 4.293 257 HB3 GLN 37 HB3 GLN 37 -12.961 10.818 3.464 258 HG2 GLN 37 HG2 GLN 37 -12.049 10.662 5.616 259 HG3 GLN 37 HG3 GLN 37 -13.025 12.127 5.612 260 HE21 GLN 37 HE21 GLN 37 -13.187 12.092 7.850 261 HE22 GLN 37 HE22 GLN 37 -14.169 10.952 8.698 262 H TYR 38 H TYR 38 -15.594 12.599 1.789 263 HA TYR 38 HA TYR 38 -15.855 10.221 0.113 264 HB2 TYR 38 HB2 TYR 38 -18.043 12.267 0.535 265 HB3 TYR 38 HB3 TYR 38 -18.000 11.189 -0.854 266 HD1 TYR 38 HD1 TYR 38 -18.139 8.709 -0.467 267 HD2 TYR 38 HD2 TYR 38 -18.887 11.540 2.618 268 HE1 TYR 38 HE1 TYR 38 -19.297 6.974 0.833 269 HE2 TYR 38 HE2 TYR 38 -20.047 9.814 3.930 270 HH TYR 38 HH TYR 38 -21.205 7.682 3.564 271 H ILE 39 H ILE 39 -15.224 10.567 -1.971 272 HA ILE 39 HA ILE 39 -14.028 13.100 -2.635 273 HB ILE 39 HB ILE 39 -14.604 10.854 -4.568 274 HG12 ILE 39 HG12 ILE 39 -13.448 9.885 -2.643 275 HG13 ILE 39 HG13 ILE 39 -12.372 9.955 -4.033 276 HG21 ILE 39 HG21 ILE 39 -12.615 11.724 -5.718 277 HG22 ILE 39 HG22 ILE 39 -13.885 12.937 -5.573 278 HG23 ILE 39 HG23 ILE 39 -12.482 12.998 -4.505 279 HD11 ILE 39 HD11 ILE 39 -11.208 10.575 -2.018 280 HD12 ILE 39 HD12 ILE 39 -11.328 11.961 -3.104 281 HD13 ILE 39 HD13 ILE 39 -12.388 11.846 -1.698 282 H ARG 40 H ARG 40 -15.170 14.798 -3.306 283 HA ARG 40 HA ARG 40 -17.916 14.387 -4.177 284 HB2 ARG 40 HB2 ARG 40 -17.457 16.135 -2.520 285 HB3 ARG 40 HB3 ARG 40 -16.392 16.948 -3.657 286 HG2 ARG 40 HG2 ARG 40 -18.246 17.429 -5.118 287 HG3 ARG 40 HG3 ARG 40 -19.337 16.498 -4.092 288 HD2 ARG 40 HD2 ARG 40 -19.083 18.067 -2.297 289 HD3 ARG 40 HD3 ARG 40 -17.815 18.932 -3.165 290 HE ARG 40 HE ARG 40 -20.086 18.955 -4.780 291 HH11 ARG 40 HH11 ARG 40 -19.267 20.139 -1.572 292 HH12 ARG 40 HH12 ARG 40 -20.222 21.583 -1.725 293 HH21 ARG 40 HH21 ARG 40 -21.371 20.828 -4.960 294 HH22 ARG 40 HH22 ARG 40 -21.423 21.974 -3.651 295 H LEU 41 H LEU 41 -14.861 15.508 -5.435 296 HA LEU 41 HA LEU 41 -15.645 15.066 -8.140 297 HB2 LEU 41 HB2 LEU 41 -16.714 17.274 -7.662 298 HB3 LEU 41 HB3 LEU 41 -15.131 17.921 -7.283 299 HG LEU 41 HG LEU 41 -14.439 17.372 -9.640 300 HD11 LEU 41 HD11 LEU 41 -17.399 16.891 -9.946 301 HD12 LEU 41 HD12 LEU 41 -16.258 17.076 -11.278 302 HD13 LEU 41 HD13 LEU 41 -16.110 15.710 -10.172 303 HD21 LEU 41 HD21 LEU 41 -15.007 19.629 -8.966 304 HD22 LEU 41 HD22 LEU 41 -15.592 19.313 -10.600 305 HD23 LEU 41 HD23 LEU 41 -16.718 19.303 -9.243 306 H VAL 42 H VAL 42 -13.820 14.711 -9.365 307 HA VAL 42 HA VAL 42 -11.268 15.597 -8.190 308 HB VAL 42 HB VAL 42 -11.491 13.167 -7.951 309 HG11 VAL 42 HG11 VAL 42 -11.677 13.107 -10.955 310 HG12 VAL 42 HG12 VAL 42 -11.474 11.701 -9.911 311 HG13 VAL 42 HG13 VAL 42 -12.949 12.666 -9.817 312 HG21 VAL 42 HG21 VAL 42 -9.382 12.520 -9.021 313 HG22 VAL 42 HG22 VAL 42 -9.440 13.989 -9.995 314 HG23 VAL 42 HG23 VAL 42 -9.279 14.100 -8.242 315 H GLU 43 H GLU 43 -9.839 16.565 -9.499 316 HA GLU 43 HA GLU 43 -10.848 17.732 -11.883 317 HB2 GLU 43 HB2 GLU 43 -9.340 18.829 -10.213 318 HB3 GLU 43 HB3 GLU 43 -8.044 17.778 -10.762 319 HG2 GLU 43 HG2 GLU 43 -7.951 18.804 -12.862 320 HG3 GLU 43 HG3 GLU 43 -9.509 19.594 -12.623 321 HA PRO 44 HA PRO 44 -9.674 14.584 -14.768 322 HB2 PRO 44 HB2 PRO 44 -9.555 16.172 -17.001 323 HB3 PRO 44 HB3 PRO 44 -11.060 15.566 -16.300 324 HG2 PRO 44 HG2 PRO 44 -9.744 18.236 -15.940 325 HG3 PRO 44 HG3 PRO 44 -11.452 17.865 -16.238 326 HD2 PRO 44 HD2 PRO 44 -10.588 18.446 -13.782 327 HD3 PRO 44 HD3 PRO 44 -11.812 17.184 -14.041 328 H GLY 45 H GLY 45 -7.828 17.455 -14.224 329 HA2 GLY 45 HA2 GLY 45 -5.486 16.190 -15.496 330 HA3 GLY 45 HA3 GLY 45 -5.684 17.922 -15.290 331 H SER 46 H SER 46 -6.238 15.315 -12.959 332 HA SER 46 HA SER 46 -4.191 16.547 -11.230 333 HB2 SER 46 HB2 SER 46 -5.535 15.894 -9.315 334 HB3 SER 46 HB3 SER 46 -6.547 16.811 -10.431 335 HG SER 46 HG SER 46 -7.614 15.014 -10.990 336 HA PRO 47 HA PRO 47 -2.251 12.531 -10.961 337 HB2 PRO 47 HB2 PRO 47 -1.669 13.023 -8.131 338 HB3 PRO 47 HB3 PRO 47 -0.556 12.865 -9.493 339 HG2 PRO 47 HG2 PRO 47 -1.004 15.219 -8.249 340 HG3 PRO 47 HG3 PRO 47 -0.624 15.111 -9.979 341 HD2 PRO 47 HD2 PRO 47 -3.266 15.521 -8.635 342 HD3 PRO 47 HD3 PRO 47 -2.623 16.269 -10.114 343 H ALA 48 H ALA 48 -4.829 13.502 -8.922 344 HA ALA 48 HA ALA 48 -5.145 11.197 -7.335 345 HB1 ALA 48 HB1 ALA 48 -6.261 13.356 -6.890 346 HB2 ALA 48 HB2 ALA 48 -7.298 13.081 -8.291 347 HB3 ALA 48 HB3 ALA 48 -7.383 11.996 -6.906 348 H GLU 49 H GLU 49 -6.663 12.143 -10.414 349 HA GLU 49 HA GLU 49 -8.129 9.738 -10.657 350 HB2 GLU 49 HB2 GLU 49 -8.591 10.451 -12.966 351 HB3 GLU 49 HB3 GLU 49 -8.890 11.724 -11.797 352 HG2 GLU 49 HG2 GLU 49 -7.829 12.929 -13.388 353 HG3 GLU 49 HG3 GLU 49 -6.426 12.412 -12.454 354 H LYS 50 H LYS 50 -4.884 10.645 -11.599 355 HA LYS 50 HA LYS 50 -4.282 8.486 -13.287 356 HB2 LYS 50 HB2 LYS 50 -2.440 9.800 -11.279 357 HB3 LYS 50 HB3 LYS 50 -1.938 8.799 -12.630 358 HG2 LYS 50 HG2 LYS 50 -3.039 10.532 -14.125 359 HG3 LYS 50 HG3 LYS 50 -3.110 11.558 -12.689 360 HD2 LYS 50 HD2 LYS 50 -0.623 10.352 -13.903 361 HD3 LYS 50 HD3 LYS 50 -1.105 12.045 -13.993 362 HE2 LYS 50 HE2 LYS 50 -0.818 12.314 -11.630 363 HE3 LYS 50 HE3 LYS 50 -0.573 10.582 -11.414 364 HZ1 LYS 50 HZ1 LYS 50 1.236 12.264 -13.053 365 HZ2 LYS 50 HZ2 LYS 50 1.497 11.981 -11.401 366 HZ3 LYS 50 HZ3 LYS 50 1.500 10.686 -12.500 367 H ALA 51 H ALA 51 -4.184 8.810 -9.781 368 HA ALA 51 HA ALA 51 -3.004 6.299 -9.237 369 HB1 ALA 51 HB1 ALA 51 -2.970 8.190 -7.672 370 HB2 ALA 51 HB2 ALA 51 -4.710 8.016 -7.432 371 HB3 ALA 51 HB3 ALA 51 -3.615 6.727 -6.929 372 H GLY 52 H GLY 52 -6.224 7.221 -10.023 373 HA2 GLY 52 HA2 GLY 52 -7.762 5.477 -10.700 374 HA3 GLY 52 HA3 GLY 52 -7.112 4.477 -9.407 375 H LEU 53 H LEU 53 -7.318 7.501 -8.202 376 HA LEU 53 HA LEU 53 -9.595 6.921 -6.587 377 HB2 LEU 53 HB2 LEU 53 -7.640 8.198 -5.778 378 HB3 LEU 53 HB3 LEU 53 -8.024 9.483 -6.905 379 HG LEU 53 HG LEU 53 -10.138 8.728 -4.957 380 HD11 LEU 53 HD11 LEU 53 -9.106 10.156 -3.237 381 HD12 LEU 53 HD12 LEU 53 -8.168 8.697 -3.556 382 HD13 LEU 53 HD13 LEU 53 -7.641 10.245 -4.217 383 HD21 LEU 53 HD21 LEU 53 -10.511 10.496 -6.601 384 HD22 LEU 53 HD22 LEU 53 -10.496 11.152 -4.965 385 HD23 LEU 53 HD23 LEU 53 -9.090 11.358 -6.010 386 H LEU 54 H LEU 54 -11.652 7.329 -7.026 387 HA LEU 54 HA LEU 54 -12.240 9.090 -9.311 388 HB2 LEU 54 HB2 LEU 54 -13.667 6.587 -8.409 389 HB3 LEU 54 HB3 LEU 54 -14.212 7.632 -9.708 390 HG LEU 54 HG LEU 54 -11.618 6.083 -9.692 391 HD11 LEU 54 HD11 LEU 54 -14.182 5.613 -11.208 392 HD12 LEU 54 HD12 LEU 54 -12.679 4.712 -11.415 393 HD13 LEU 54 HD13 LEU 54 -13.559 4.622 -9.889 394 HD21 LEU 54 HD21 LEU 54 -11.438 8.147 -10.963 395 HD22 LEU 54 HD22 LEU 54 -11.487 6.759 -12.050 396 HD23 LEU 54 HD23 LEU 54 -12.923 7.761 -11.834 397 H ALA 55 H ALA 55 -14.389 10.063 -9.296 398 HA ALA 55 HA ALA 55 -14.936 11.236 -6.732 399 HB1 ALA 55 HB1 ALA 55 -16.516 12.638 -7.908 400 HB2 ALA 55 HB2 ALA 55 -15.006 12.552 -8.815 401 HB3 ALA 55 HB3 ALA 55 -16.403 11.614 -9.341 402 H GLY 56 H GLY 56 -15.906 9.926 -5.322 403 HA2 GLY 56 HA2 GLY 56 -18.430 9.371 -4.966 404 HA3 GLY 56 HA3 GLY 56 -18.083 8.190 -6.223 405 H ASP 57 H ASP 57 -15.262 8.113 -4.982 406 HA ASP 57 HA ASP 57 -15.765 5.817 -3.343 407 HB2 ASP 57 HB2 ASP 57 -13.254 7.274 -4.166 408 HB3 ASP 57 HB3 ASP 57 -13.224 5.932 -3.029 409 H ARG 58 H ARG 58 -15.221 5.544 -1.160 410 HA ARG 58 HA ARG 58 -15.005 8.042 0.381 411 HB2 ARG 58 HB2 ARG 58 -15.896 6.852 2.285 412 HB3 ARG 58 HB3 ARG 58 -16.962 6.588 0.916 413 HG2 ARG 58 HG2 ARG 58 -16.028 4.377 0.581 414 HG3 ARG 58 HG3 ARG 58 -14.890 4.641 1.901 415 HD2 ARG 58 HD2 ARG 58 -17.896 4.604 2.147 416 HD3 ARG 58 HD3 ARG 58 -16.814 3.288 2.600 417 HE ARG 58 HE ARG 58 -17.046 5.888 3.967 418 HH11 ARG 58 HH11 ARG 58 -15.951 2.560 3.925 419 HH12 ARG 58 HH12 ARG 58 -15.437 2.573 5.588 420 HH21 ARG 58 HH21 ARG 58 -16.408 5.886 6.163 421 HH22 ARG 58 HH22 ARG 58 -15.717 4.449 6.854 422 H LEU 59 H LEU 59 -13.415 8.226 1.968 423 HA LEU 59 HA LEU 59 -11.046 6.631 1.381 424 HB2 LEU 59 HB2 LEU 59 -10.941 9.116 1.396 425 HB3 LEU 59 HB3 LEU 59 -11.348 9.095 3.101 426 HG LEU 59 HG LEU 59 -9.258 7.840 3.555 427 HD11 LEU 59 HD11 LEU 59 -8.972 6.787 1.379 428 HD12 LEU 59 HD12 LEU 59 -8.699 8.364 0.638 429 HD13 LEU 59 HD13 LEU 59 -7.546 7.727 1.812 430 HD21 LEU 59 HD21 LEU 59 -7.752 9.736 3.186 431 HD22 LEU 59 HD22 LEU 59 -8.942 10.457 2.102 432 HD23 LEU 59 HD23 LEU 59 -9.321 10.245 3.811 433 H VAL 60 H VAL 60 -10.296 5.097 2.701 434 HA VAL 60 HA VAL 60 -11.613 4.814 5.307 435 HB VAL 60 HB VAL 60 -10.719 2.426 5.201 436 HG11 VAL 60 HG11 VAL 60 -12.571 1.690 3.764 437 HG12 VAL 60 HG12 VAL 60 -13.067 2.986 4.852 438 HG13 VAL 60 HG13 VAL 60 -12.745 3.334 3.153 439 HG21 VAL 60 HG21 VAL 60 -10.343 3.185 2.305 440 HG22 VAL 60 HG22 VAL 60 -9.069 2.737 3.440 441 HG23 VAL 60 HG23 VAL 60 -10.275 1.546 2.952 442 H GLU 61 H GLU 61 -8.402 4.735 3.787 443 HA GLU 61 HA GLU 61 -7.244 5.113 6.465 444 HB2 GLU 61 HB2 GLU 61 -5.807 3.462 4.418 445 HB3 GLU 61 HB3 GLU 61 -5.584 3.512 6.157 446 HG2 GLU 61 HG2 GLU 61 -8.103 2.413 4.986 447 HG3 GLU 61 HG3 GLU 61 -6.643 1.431 5.046 448 H VAL 62 H VAL 62 -5.320 6.338 6.506 449 HA VAL 62 HA VAL 62 -4.427 7.453 3.919 450 HB VAL 62 HB VAL 62 -4.464 8.849 6.609 451 HG11 VAL 62 HG11 VAL 62 -3.496 10.774 5.470 452 HG12 VAL 62 HG12 VAL 62 -2.422 9.380 5.361 453 HG13 VAL 62 HG13 VAL 62 -3.395 9.852 3.969 454 HG21 VAL 62 HG21 VAL 62 -5.894 9.496 4.034 455 HG22 VAL 62 HG22 VAL 62 -6.630 8.801 5.478 456 HG23 VAL 62 HG23 VAL 62 -5.964 10.435 5.526 457 H ASN 63 H ASN 63 -2.565 6.519 3.427 458 HA ASN 63 HA ASN 63 -0.398 5.867 3.494 459 HB2 ASN 63 HB2 ASN 63 -0.464 7.607 5.927 460 HB3 ASN 63 HB3 ASN 63 0.972 6.646 5.574 461 HD21 ASN 63 HD21 ASN 63 2.159 8.561 5.256 462 HD22 ASN 63 HD22 ASN 63 2.005 9.495 3.809 463 H GLY 64 H GLY 64 -2.398 5.074 6.212 464 HA2 GLY 64 HA2 GLY 64 -1.954 2.402 6.273 465 HA3 GLY 64 HA3 GLY 64 -0.617 3.039 7.219 466 H GLU 65 H GLU 65 -2.574 5.295 7.996 467 HA GLU 65 HA GLU 65 -3.691 3.860 10.275 468 HB2 GLU 65 HB2 GLU 65 -4.043 6.119 11.227 469 HB3 GLU 65 HB3 GLU 65 -2.365 5.809 10.809 470 HG2 GLU 65 HG2 GLU 65 -2.658 7.087 8.737 471 HG3 GLU 65 HG3 GLU 65 -4.327 7.422 9.197 472 H ASN 66 H ASN 66 -5.833 3.882 10.813 473 HA ASN 66 HA ASN 66 -7.653 4.139 8.599 474 HB2 ASN 66 HB2 ASN 66 -7.931 2.269 10.114 475 HB3 ASN 66 HB3 ASN 66 -8.093 3.360 11.488 476 HD21 ASN 66 HD21 ASN 66 -9.611 2.216 8.550 477 HD22 ASN 66 HD22 ASN 66 -11.230 2.675 8.994 478 H VAL 67 H VAL 67 -8.873 5.838 8.117 479 HA VAL 67 HA VAL 67 -9.056 7.973 10.138 480 HB VAL 67 HB VAL 67 -9.032 9.610 8.307 481 HG11 VAL 67 HG11 VAL 67 -6.673 7.730 8.338 482 HG12 VAL 67 HG12 VAL 67 -6.655 9.392 7.738 483 HG13 VAL 67 HG13 VAL 67 -6.960 9.078 9.448 484 HG21 VAL 67 HG21 VAL 67 -9.922 8.191 6.527 485 HG22 VAL 67 HG22 VAL 67 -8.394 8.931 6.050 486 HG23 VAL 67 HG23 VAL 67 -8.438 7.237 6.538 487 H GLU 68 H GLU 68 -10.926 5.711 9.108 488 HA GLU 68 HA GLU 68 -13.101 6.866 7.777 489 HB2 GLU 68 HB2 GLU 68 -12.996 4.546 9.695 490 HB3 GLU 68 HB3 GLU 68 -14.445 5.008 8.817 491 HG2 GLU 68 HG2 GLU 68 -13.278 4.613 6.705 492 HG3 GLU 68 HG3 GLU 68 -11.843 4.113 7.605 493 H LYS 69 H LYS 69 -12.320 6.735 11.219 494 HA LYS 69 HA LYS 69 -14.971 7.840 11.836 495 HB2 LYS 69 HB2 LYS 69 -12.892 6.704 13.711 496 HB3 LYS 69 HB3 LYS 69 -14.526 7.188 14.144 497 HG2 LYS 69 HG2 LYS 69 -13.908 5.013 12.160 498 HG3 LYS 69 HG3 LYS 69 -14.175 4.728 13.880 499 HD2 LYS 69 HD2 LYS 69 -16.154 6.054 12.031 500 HD3 LYS 69 HD3 LYS 69 -16.196 4.351 12.488 501 HE2 LYS 69 HE2 LYS 69 -16.419 6.703 14.365 502 HE3 LYS 69 HE3 LYS 69 -17.746 5.671 13.838 503 HZ1 LYS 69 HZ1 LYS 69 -15.429 4.890 15.523 504 HZ2 LYS 69 HZ2 LYS 69 -17.062 4.957 15.978 505 HZ3 LYS 69 HZ3 LYS 69 -16.539 3.779 14.875 506 H GLU 70 H GLU 70 -12.215 9.123 10.958 507 HA GLU 70 HA GLU 70 -11.878 11.060 13.087 508 HB2 GLU 70 HB2 GLU 70 -10.591 11.074 10.356 509 HB3 GLU 70 HB3 GLU 70 -10.044 11.908 11.805 510 HG2 GLU 70 HG2 GLU 70 -10.044 8.948 11.302 511 HG3 GLU 70 HG3 GLU 70 -8.648 10.011 11.418 512 H THR 71 H THR 71 -11.784 13.424 12.372 513 HA THR 71 HA THR 71 -14.374 14.033 11.282 514 HB THR 71 HB THR 71 -13.918 16.334 11.888 515 HG1 THR 71 HG1 THR 71 -11.707 16.539 13.043 516 HG21 THR 71 HG21 THR 71 -14.604 14.813 13.684 517 HG22 THR 71 HG22 THR 71 -12.909 14.447 14.015 518 HG23 THR 71 HG23 THR 71 -13.528 16.075 14.287 519 H HIS 72 H HIS 72 -14.565 15.861 9.686 520 HA HIS 72 HA HIS 72 -13.354 15.184 7.255 521 HB2 HIS 72 HB2 HIS 72 -15.457 16.339 7.263 522 HB3 HIS 72 HB3 HIS 72 -14.792 17.681 8.182 523 HD1 HIS 72 HD1 HIS 72 -14.687 16.176 4.715 524 HD2 HIS 72 HD2 HIS 72 -13.724 19.701 6.688 525 HE1 HIS 72 HE1 HIS 72 -14.119 17.830 2.907 526 HE2 HIS 72 HE2 HIS 72 -13.773 20.013 4.126 527 H GLN 73 H GLN 73 -12.635 17.804 9.539 528 HA GLN 73 HA GLN 73 -10.552 18.939 8.015 529 HB2 GLN 73 HB2 GLN 73 -10.027 20.176 10.052 530 HB3 GLN 73 HB3 GLN 73 -11.745 20.194 9.707 531 HG2 GLN 73 HG2 GLN 73 -12.077 18.432 11.385 532 HG3 GLN 73 HG3 GLN 73 -10.355 18.493 11.760 533 HE21 GLN 73 HE21 GLN 73 -9.525 20.273 12.849 534 HE22 GLN 73 HE22 GLN 73 -10.546 21.399 13.681 535 H GLN 74 H GLN 74 -10.589 16.442 10.513 536 HA GLN 74 HA GLN 74 -7.827 16.300 11.009 537 HB2 GLN 74 HB2 GLN 74 -10.112 14.391 11.291 538 HB3 GLN 74 HB3 GLN 74 -8.474 13.793 11.494 539 HG2 GLN 74 HG2 GLN 74 -9.600 16.106 13.049 540 HG3 GLN 74 HG3 GLN 74 -9.652 14.431 13.602 541 HE21 GLN 74 HE21 GLN 74 -8.327 16.708 14.802 542 HE22 GLN 74 HE22 GLN 74 -6.643 16.307 14.884 543 H VAL 75 H VAL 75 -9.859 14.533 8.725 544 HA VAL 75 HA VAL 75 -7.836 12.832 7.748 545 HB VAL 75 HB VAL 75 -10.395 13.718 6.408 546 HG11 VAL 75 HG11 VAL 75 -10.202 11.717 5.061 547 HG12 VAL 75 HG12 VAL 75 -8.780 12.734 4.834 548 HG13 VAL 75 HG13 VAL 75 -8.683 11.299 5.855 549 HG21 VAL 75 HG21 VAL 75 -9.776 11.332 8.147 550 HG22 VAL 75 HG22 VAL 75 -10.804 12.703 8.569 551 HG23 VAL 75 HG23 VAL 75 -11.295 11.596 7.287 552 H VAL 76 H VAL 76 -9.171 15.867 6.452 553 HA VAL 76 HA VAL 76 -7.660 15.939 4.094 554 HB VAL 76 HB VAL 76 -8.749 18.253 5.710 555 HG11 VAL 76 HG11 VAL 76 -8.597 19.547 3.639 556 HG12 VAL 76 HG12 VAL 76 -7.006 19.004 4.176 557 HG13 VAL 76 HG13 VAL 76 -7.816 18.182 2.842 558 HG21 VAL 76 HG21 VAL 76 -9.891 16.789 3.331 559 HG22 VAL 76 HG22 VAL 76 -10.470 16.674 4.993 560 HG23 VAL 76 HG23 VAL 76 -10.605 18.197 4.115 561 H SER 77 H SER 77 -6.947 17.125 7.336 562 HA SER 77 HA SER 77 -4.629 18.580 6.714 563 HB2 SER 77 HB2 SER 77 -5.917 18.729 8.856 564 HB3 SER 77 HB3 SER 77 -5.251 17.164 9.320 565 HG SER 77 HG SER 77 -4.034 19.668 9.168 566 H ARG 78 H ARG 78 -5.096 15.187 7.612 567 HA ARG 78 HA ARG 78 -2.339 14.565 7.848 568 HB2 ARG 78 HB2 ARG 78 -4.668 12.711 7.325 569 HB3 ARG 78 HB3 ARG 78 -3.068 12.226 7.871 570 HG2 ARG 78 HG2 ARG 78 -3.369 13.453 9.935 571 HG3 ARG 78 HG3 ARG 78 -4.942 14.029 9.383 572 HD2 ARG 78 HD2 ARG 78 -5.549 11.541 9.169 573 HD3 ARG 78 HD3 ARG 78 -4.125 11.251 10.172 574 HE ARG 78 HE ARG 78 -5.810 13.236 11.303 575 HH11 ARG 78 HH11 ARG 78 -5.363 9.774 11.041 576 HH12 ARG 78 HH12 ARG 78 -6.421 9.419 12.380 577 HH21 ARG 78 HH21 ARG 78 -7.124 12.791 13.080 578 HH22 ARG 78 HH22 ARG 78 -7.453 11.138 13.528 579 H ILE 79 H ILE 79 -4.631 14.400 5.175 580 HA ILE 79 HA ILE 79 -2.914 12.955 3.425 581 HB ILE 79 HB ILE 79 -5.185 14.805 2.674 582 HG12 ILE 79 HG12 ILE 79 -5.226 11.815 3.144 583 HG13 ILE 79 HG13 ILE 79 -5.838 13.013 4.280 584 HG21 ILE 79 HG21 ILE 79 -3.870 12.543 1.168 585 HG22 ILE 79 HG22 ILE 79 -5.285 13.448 0.629 586 HG23 ILE 79 HG23 ILE 79 -3.730 14.263 0.800 587 HD11 ILE 79 HD11 ILE 79 -6.876 12.541 1.496 588 HD12 ILE 79 HD12 ILE 79 -7.631 11.994 2.995 589 HD13 ILE 79 HD13 ILE 79 -7.500 13.720 2.651 590 H ARG 80 H ARG 80 -3.602 16.401 3.877 591 HA ARG 80 HA ARG 80 -1.947 17.327 1.782 592 HB2 ARG 80 HB2 ARG 80 -3.086 18.644 4.227 593 HB3 ARG 80 HB3 ARG 80 -1.985 19.506 3.158 594 HG2 ARG 80 HG2 ARG 80 -3.519 19.084 1.281 595 HG3 ARG 80 HG3 ARG 80 -4.637 18.298 2.398 596 HD2 ARG 80 HD2 ARG 80 -4.938 20.340 3.622 597 HD3 ARG 80 HD3 ARG 80 -3.679 21.143 2.686 598 HE ARG 80 HE ARG 80 -5.515 20.351 0.826 599 HH11 ARG 80 HH11 ARG 80 -5.636 22.281 3.742 600 HH12 ARG 80 HH12 ARG 80 -6.919 23.308 3.167 601 HH21 ARG 80 HH21 ARG 80 -7.215 21.687 0.064 602 HH22 ARG 80 HH22 ARG 80 -7.824 22.948 1.090 603 H ALA 81 H ALA 81 -1.271 16.214 4.954 604 HA ALA 81 HA ALA 81 1.123 17.526 5.545 605 HB1 ALA 81 HB1 ALA 81 -0.112 16.230 7.187 606 HB2 ALA 81 HB2 ALA 81 0.250 14.741 6.312 607 HB3 ALA 81 HB3 ALA 81 1.553 15.658 7.073 608 H ALA 82 H ALA 82 0.458 15.000 3.288 609 HA ALA 82 HA ALA 82 3.031 13.861 3.101 610 HB1 ALA 82 HB1 ALA 82 1.028 12.769 2.239 611 HB2 ALA 82 HB2 ALA 82 0.876 14.021 1.005 612 HB3 ALA 82 HB3 ALA 82 2.265 12.933 0.992 613 H LEU 83 H LEU 83 4.759 14.335 1.913 614 HA LEU 83 HA LEU 83 4.987 17.069 0.996 615 HB2 LEU 83 HB2 LEU 83 7.038 14.857 1.054 616 HB3 LEU 83 HB3 LEU 83 7.365 16.554 0.763 617 HG LEU 83 HG LEU 83 6.282 15.411 3.340 618 HD11 LEU 83 HD11 LEU 83 9.034 16.436 2.660 619 HD12 LEU 83 HD12 LEU 83 8.483 15.910 4.250 620 HD13 LEU 83 HD13 LEU 83 8.594 14.749 2.929 621 HD21 LEU 83 HD21 LEU 83 5.532 17.700 2.940 622 HD22 LEU 83 HD22 LEU 83 6.715 17.643 4.246 623 HD23 LEU 83 HD23 LEU 83 7.198 18.203 2.646 624 H ASN 84 H ASN 84 5.049 13.834 -0.408 625 HA ASN 84 HA ASN 84 4.660 15.038 -3.023 626 HB2 ASN 84 HB2 ASN 84 7.088 14.778 -2.908 627 HB3 ASN 84 HB3 ASN 84 6.901 13.075 -2.502 628 HD21 ASN 84 HD21 ASN 84 6.448 11.615 -4.088 629 HD22 ASN 84 HD22 ASN 84 6.398 12.012 -5.776 630 H ALA 85 H ALA 85 5.125 11.883 -1.397 631 HA ALA 85 HA ALA 85 2.884 10.892 -3.033 632 HB1 ALA 85 HB1 ALA 85 3.812 8.657 -2.802 633 HB2 ALA 85 HB2 ALA 85 5.003 9.755 -3.501 634 HB3 ALA 85 HB3 ALA 85 5.124 9.289 -1.804 635 H VAL 86 H VAL 86 1.166 10.026 -2.075 636 HA VAL 86 HA VAL 86 1.218 9.432 0.793 637 HB VAL 86 HB VAL 86 0.446 11.710 0.734 638 HG11 VAL 86 HG11 VAL 86 -1.491 12.431 -0.571 639 HG12 VAL 86 HG12 VAL 86 -0.178 11.861 -1.603 640 HG13 VAL 86 HG13 VAL 86 -1.579 10.832 -1.309 641 HG21 VAL 86 HG21 VAL 86 -1.911 9.862 1.063 642 HG22 VAL 86 HG22 VAL 86 -0.730 10.282 2.304 643 HG23 VAL 86 HG23 VAL 86 -1.814 11.518 1.663 644 H ARG 87 H ARG 87 -0.207 7.778 1.381 645 HA ARG 87 HA ARG 87 -1.264 6.281 -0.902 646 HB2 ARG 87 HB2 ARG 87 -1.154 5.388 1.975 647 HB3 ARG 87 HB3 ARG 87 -1.426 4.389 0.560 648 HG2 ARG 87 HG2 ARG 87 1.140 5.798 1.266 649 HG3 ARG 87 HG3 ARG 87 0.807 4.075 1.444 650 HD2 ARG 87 HD2 ARG 87 0.344 4.093 -1.070 651 HD3 ARG 87 HD3 ARG 87 1.120 5.678 -1.076 652 HE ARG 87 HE ARG 87 2.525 3.326 0.009 653 HH11 ARG 87 HH11 ARG 87 2.380 5.994 -2.257 654 HH12 ARG 87 HH12 ARG 87 3.972 5.710 -2.877 655 HH21 ARG 87 HH21 ARG 87 4.602 2.959 -0.792 656 HH22 ARG 87 HH22 ARG 87 5.242 3.982 -2.048 657 H LEU 88 H LEU 88 -3.268 6.823 -1.456 658 HA LEU 88 HA LEU 88 -5.244 7.319 0.662 659 HB2 LEU 88 HB2 LEU 88 -5.211 7.971 -2.282 660 HB3 LEU 88 HB3 LEU 88 -6.683 8.038 -1.337 661 HG LEU 88 HG LEU 88 -5.778 10.256 -1.589 662 HD11 LEU 88 HD11 LEU 88 -5.341 9.229 1.209 663 HD12 LEU 88 HD12 LEU 88 -5.571 10.918 0.755 664 HD13 LEU 88 HD13 LEU 88 -6.878 9.754 0.522 665 HD21 LEU 88 HD21 LEU 88 -3.601 10.880 -0.680 666 HD22 LEU 88 HD22 LEU 88 -3.275 9.188 -0.308 667 HD23 LEU 88 HD23 LEU 88 -3.454 9.702 -1.984 668 H LEU 89 H LEU 89 -6.082 5.402 1.286 669 HA LEU 89 HA LEU 89 -6.715 3.422 -0.761 670 HB2 LEU 89 HB2 LEU 89 -5.670 2.692 1.370 671 HB3 LEU 89 HB3 LEU 89 -7.100 3.248 2.225 672 HG LEU 89 HG LEU 89 -8.469 1.621 0.965 673 HD11 LEU 89 HD11 LEU 89 -7.147 1.429 -1.045 674 HD12 LEU 89 HD12 LEU 89 -5.813 0.720 -0.135 675 HD13 LEU 89 HD13 LEU 89 -7.335 -0.157 -0.298 676 HD21 LEU 89 HD21 LEU 89 -7.634 -0.377 2.088 677 HD22 LEU 89 HD22 LEU 89 -6.113 0.450 2.421 678 HD23 LEU 89 HD23 LEU 89 -7.612 1.032 3.146 679 H VAL 90 H VAL 90 -8.654 3.257 -1.613 680 HA VAL 90 HA VAL 90 -10.861 4.709 -0.330 681 HB VAL 90 HB VAL 90 -11.545 5.568 -2.571 682 HG11 VAL 90 HG11 VAL 90 -8.843 6.462 -1.582 683 HG12 VAL 90 HG12 VAL 90 -9.895 7.386 -2.655 684 HG13 VAL 90 HG13 VAL 90 -10.412 7.029 -1.007 685 HG21 VAL 90 HG21 VAL 90 -8.800 4.640 -3.405 686 HG22 VAL 90 HG22 VAL 90 -10.334 3.981 -3.969 687 HG23 VAL 90 HG23 VAL 90 -9.885 5.638 -4.372 688 H VAL 91 H VAL 91 -12.936 4.027 -0.885 689 HA VAL 91 HA VAL 91 -13.248 1.744 -2.643 690 HB VAL 91 HB VAL 91 -12.676 0.743 -0.452 691 HG11 VAL 91 HG11 VAL 91 -13.535 2.458 1.034 692 HG12 VAL 91 HG12 VAL 91 -15.186 2.090 0.535 693 HG13 VAL 91 HG13 VAL 91 -14.245 0.891 1.423 694 HG21 VAL 91 HG21 VAL 91 -14.109 -0.465 -2.002 695 HG22 VAL 91 HG22 VAL 91 -14.542 -0.816 -0.329 696 HG23 VAL 91 HG23 VAL 91 -15.535 0.286 -1.286 697 H ASP 92 H ASP 92 -15.212 1.812 -3.663 698 HA ASP 92 HA ASP 92 -17.057 3.910 -3.304 699 HB2 ASP 92 HB2 ASP 92 -17.565 1.151 -4.454 700 HB3 ASP 92 HB3 ASP 92 -18.630 2.536 -4.637 701 HA PRO 93 HA PRO 93 -19.414 2.568 0.281 702 HB2 PRO 93 HB2 PRO 93 -21.708 3.717 -1.222 703 HB3 PRO 93 HB3 PRO 93 -21.153 4.066 0.418 704 HG2 PRO 93 HG2 PRO 93 -20.747 5.799 -1.571 705 HG3 PRO 93 HG3 PRO 93 -19.532 5.550 -0.303 706 HD2 PRO 93 HD2 PRO 93 -19.569 4.556 -3.119 707 HD3 PRO 93 HD3 PRO 93 -18.199 5.111 -2.134 708 H GLU 94 H GLU 94 -20.486 2.107 -3.021 709 HA GLU 94 HA GLU 94 -22.258 -0.062 -2.534 710 HB2 GLU 94 HB2 GLU 94 -20.779 0.533 -5.099 711 HB3 GLU 94 HB3 GLU 94 -22.328 -0.279 -4.914 712 HG2 GLU 94 HG2 GLU 94 -23.423 1.731 -4.344 713 HG3 GLU 94 HG3 GLU 94 -21.895 2.583 -4.122 714 H THR 95 H THR 95 -18.900 0.198 -3.608 715 HA THR 95 HA THR 95 -18.369 -2.536 -3.944 716 HB THR 95 HB THR 95 -16.482 -0.273 -3.258 717 HG1 THR 95 HG1 THR 95 -16.488 0.155 -5.354 718 HG21 THR 95 HG21 THR 95 -15.454 -2.439 -2.796 719 HG22 THR 95 HG22 THR 95 -15.884 -2.999 -4.413 720 HG23 THR 95 HG23 THR 95 -14.722 -1.688 -4.213 721 H ASP 96 H ASP 96 -17.934 -0.377 -1.165 722 HA ASP 96 HA ASP 96 -16.621 -2.159 0.545 723 HB2 ASP 96 HB2 ASP 96 -16.697 0.185 1.088 724 HB3 ASP 96 HB3 ASP 96 -18.455 0.170 1.145 725 H GLU 97 H GLU 97 -20.030 -1.705 -0.131 726 HA GLU 97 HA GLU 97 -21.121 -3.212 1.963 727 HB2 GLU 97 HB2 GLU 97 -22.377 -1.720 0.386 728 HB3 GLU 97 HB3 GLU 97 -22.198 -2.958 -0.849 729 HG2 GLU 97 HG2 GLU 97 -23.393 -4.530 0.700 730 HG3 GLU 97 HG3 GLU 97 -23.740 -3.135 1.721 731 H GLN 98 H GLN 98 -20.154 -4.125 -1.312 732 HA GLN 98 HA GLN 98 -20.697 -6.885 -1.089 733 HB2 GLN 98 HB2 GLN 98 -20.388 -5.869 -3.254 734 HB3 GLN 98 HB3 GLN 98 -18.765 -5.351 -2.833 735 HG2 GLN 98 HG2 GLN 98 -18.709 -7.242 -4.336 736 HG3 GLN 98 HG3 GLN 98 -18.030 -7.675 -2.771 737 HE21 GLN 98 HE21 GLN 98 -19.101 -9.140 -1.479 738 HE22 GLN 98 HE22 GLN 98 -20.373 -10.156 -2.077 739 H LEU 99 H LEU 99 -17.800 -4.952 -0.469 740 HA LEU 99 HA LEU 99 -16.040 -7.075 0.091 741 HB2 LEU 99 HB2 LEU 99 -15.982 -4.272 1.183 742 HB3 LEU 99 HB3 LEU 99 -14.643 -5.407 1.181 743 HG LEU 99 HG LEU 99 -15.792 -3.822 -1.062 744 HD11 LEU 99 HD11 LEU 99 -13.788 -3.084 0.066 745 HD12 LEU 99 HD12 LEU 99 -13.021 -4.639 -0.252 746 HD13 LEU 99 HD13 LEU 99 -13.422 -3.564 -1.590 747 HD21 LEU 99 HD21 LEU 99 -16.053 -6.101 -1.878 748 HD22 LEU 99 HD22 LEU 99 -14.728 -5.293 -2.716 749 HD23 LEU 99 HD23 LEU 99 -14.383 -6.465 -1.445 750 H GLN 100 H GLN 100 -18.374 -5.393 2.112 751 HA GLN 100 HA GLN 100 -17.589 -6.404 4.602 752 HB2 GLN 100 HB2 GLN 100 -20.358 -5.710 3.607 753 HB3 GLN 100 HB3 GLN 100 -19.945 -6.016 5.290 754 HG2 GLN 100 HG2 GLN 100 -18.860 -3.805 3.564 755 HG3 GLN 100 HG3 GLN 100 -20.058 -3.639 4.844 756 HE21 GLN 100 HE21 GLN 100 -17.366 -2.451 4.487 757 HE22 GLN 100 HE22 GLN 100 -16.506 -2.854 5.936 758 H LYS 101 H LYS 101 -19.541 -7.830 2.035 759 HA LYS 101 HA LYS 101 -20.305 -10.198 3.368 760 HB2 LYS 101 HB2 LYS 101 -19.742 -9.642 0.452 761 HB3 LYS 101 HB3 LYS 101 -20.372 -11.175 1.031 762 HG2 LYS 101 HG2 LYS 101 -21.748 -8.536 1.458 763 HG3 LYS 101 HG3 LYS 101 -22.071 -9.609 0.096 764 HD2 LYS 101 HD2 LYS 101 -22.481 -10.197 3.023 765 HD3 LYS 101 HD3 LYS 101 -23.725 -10.001 1.788 766 HE2 LYS 101 HE2 LYS 101 -21.722 -12.236 2.043 767 HE3 LYS 101 HE3 LYS 101 -23.473 -12.336 2.215 768 HZ1 LYS 101 HZ1 LYS 101 -22.784 -13.183 0.086 769 HZ2 LYS 101 HZ2 LYS 101 -23.681 -11.767 -0.142 770 HZ3 LYS 101 HZ3 LYS 101 -21.991 -11.737 -0.290 771 H LEU 102 H LEU 102 -17.417 -9.303 1.568 772 HA LEU 102 HA LEU 102 -16.079 -11.767 1.631 773 HB2 LEU 102 HB2 LEU 102 -15.127 -8.918 1.475 774 HB3 LEU 102 HB3 LEU 102 -13.995 -10.250 1.529 775 HG LEU 102 HG LEU 102 -14.898 -11.116 -0.560 776 HD11 LEU 102 HD11 LEU 102 -17.190 -10.388 -0.417 777 HD12 LEU 102 HD12 LEU 102 -16.681 -8.706 -0.535 778 HD13 LEU 102 HD13 LEU 102 -16.450 -9.794 -1.904 779 HD21 LEU 102 HD21 LEU 102 -13.034 -9.589 -0.655 780 HD22 LEU 102 HD22 LEU 102 -14.106 -9.324 -2.032 781 HD23 LEU 102 HD23 LEU 102 -14.139 -8.212 -0.662 782 H GLY 103 H GLY 103 -15.152 -8.920 3.514 783 HA2 GLY 103 HA2 GLY 103 -14.621 -8.685 5.748 784 HA3 GLY 103 HA3 GLY 103 -15.206 -10.318 6.020 785 H VAL 104 H VAL 104 -13.187 -10.967 3.677 786 HA VAL 104 HA VAL 104 -11.217 -11.948 5.526 787 HB VAL 104 HB VAL 104 -11.150 -12.257 2.526 788 HG11 VAL 104 HG11 VAL 104 -9.954 -14.343 3.066 789 HG12 VAL 104 HG12 VAL 104 -9.112 -12.915 3.671 790 HG13 VAL 104 HG13 VAL 104 -10.035 -13.933 4.779 791 HG21 VAL 104 HG21 VAL 104 -13.350 -12.943 3.309 792 HG22 VAL 104 HG22 VAL 104 -12.398 -14.349 2.832 793 HG23 VAL 104 HG23 VAL 104 -12.609 -13.968 4.540 794 H GLN 105 H GLN 105 -10.897 -9.396 5.782 795 HA GLN 105 HA GLN 105 -9.347 -7.730 5.832 796 HB2 GLN 105 HB2 GLN 105 -7.549 -10.081 5.260 797 HB3 GLN 105 HB3 GLN 105 -7.011 -8.529 5.881 798 HG2 GLN 105 HG2 GLN 105 -9.049 -10.184 7.317 799 HG3 GLN 105 HG3 GLN 105 -7.320 -10.439 7.531 800 HE21 GLN 105 HE21 GLN 105 -7.397 -9.883 9.675 801 HE22 GLN 105 HE22 GLN 105 -7.613 -8.249 10.219 802 H VAL 106 H VAL 106 -10.555 -7.958 3.245 803 HA VAL 106 HA VAL 106 -8.581 -7.928 1.205 804 HB VAL 106 HB VAL 106 -10.387 -6.891 -0.216 805 HG11 VAL 106 HG11 VAL 106 -10.963 -9.450 1.257 806 HG12 VAL 106 HG12 VAL 106 -11.770 -8.946 -0.229 807 HG13 VAL 106 HG13 VAL 106 -10.034 -9.259 -0.230 808 HG21 VAL 106 HG21 VAL 106 -12.042 -7.300 2.275 809 HG22 VAL 106 HG22 VAL 106 -11.632 -5.748 1.541 810 HG23 VAL 106 HG23 VAL 106 -12.666 -6.886 0.678 811 H ARG 107 H ARG 107 -9.594 -5.592 3.470 812 HA ARG 107 HA ARG 107 -8.939 -3.275 1.920 813 HB2 ARG 107 HB2 ARG 107 -10.498 -3.162 3.808 814 HB3 ARG 107 HB3 ARG 107 -9.210 -3.633 4.907 815 HG2 ARG 107 HG2 ARG 107 -7.984 -1.557 4.202 816 HG3 ARG 107 HG3 ARG 107 -9.453 -1.071 3.356 817 HD2 ARG 107 HD2 ARG 107 -9.274 -1.689 6.300 818 HD3 ARG 107 HD3 ARG 107 -9.243 -0.071 5.606 819 HE ARG 107 HE ARG 107 -11.549 -1.672 4.907 820 HH11 ARG 107 HH11 ARG 107 -10.158 0.707 7.059 821 HH12 ARG 107 HH12 ARG 107 -11.707 1.251 7.651 822 HH21 ARG 107 HH21 ARG 107 -13.596 -0.913 5.665 823 HH22 ARG 107 HH22 ARG 107 -13.643 0.362 6.838 824 H GLU 108 H GLU 108 -7.089 -5.575 3.722 825 HA GLU 108 HA GLU 108 -4.744 -3.819 3.562 826 HB2 GLU 108 HB2 GLU 108 -5.676 -5.258 6.043 827 HB3 GLU 108 HB3 GLU 108 -4.103 -4.489 5.875 828 HG2 GLU 108 HG2 GLU 108 -5.069 -2.341 5.684 829 HG3 GLU 108 HG3 GLU 108 -6.687 -3.012 5.500 830 H GLU 109 H GLU 109 -5.703 -7.096 4.615 831 HA GLU 109 HA GLU 109 -3.132 -8.197 4.213 832 HB2 GLU 109 HB2 GLU 109 -4.848 -9.149 5.729 833 HB3 GLU 109 HB3 GLU 109 -5.788 -9.633 4.325 834 HG2 GLU 109 HG2 GLU 109 -4.089 -11.170 3.643 835 HG3 GLU 109 HG3 GLU 109 -2.995 -10.585 4.897 836 H LEU 110 H LEU 110 -5.896 -7.772 2.117 837 HA LEU 110 HA LEU 110 -5.083 -9.441 -0.004 838 HB2 LEU 110 HB2 LEU 110 -7.307 -8.180 0.340 839 HB3 LEU 110 HB3 LEU 110 -6.493 -6.801 -0.365 840 HG LEU 110 HG LEU 110 -7.955 -8.131 -1.926 841 HD11 LEU 110 HD11 LEU 110 -6.392 -8.049 -3.800 842 HD12 LEU 110 HD12 LEU 110 -6.259 -6.614 -2.783 843 HD13 LEU 110 HD13 LEU 110 -5.046 -7.889 -2.671 844 HD21 LEU 110 HD21 LEU 110 -7.378 -10.354 -1.098 845 HD22 LEU 110 HD22 LEU 110 -7.068 -10.211 -2.828 846 HD23 LEU 110 HD23 LEU 110 -5.728 -10.147 -1.684 847 H LEU 111 H LEU 111 -4.313 -6.083 0.811 848 HA LEU 111 HA LEU 111 -2.686 -5.583 -1.465 849 HB2 LEU 111 HB2 LEU 111 -2.843 -4.252 1.238 850 HB3 LEU 111 HB3 LEU 111 -1.775 -3.700 -0.033 851 HG LEU 111 HG LEU 111 -3.662 -2.288 -0.092 852 HD11 LEU 111 HD11 LEU 111 -2.891 -2.965 -2.287 853 HD12 LEU 111 HD12 LEU 111 -3.984 -4.349 -2.266 854 HD13 LEU 111 HD13 LEU 111 -4.637 -2.710 -2.295 855 HD21 LEU 111 HD21 LEU 111 -5.371 -4.768 -0.077 856 HD22 LEU 111 HD22 LEU 111 -5.215 -3.582 1.224 857 HD23 LEU 111 HD23 LEU 111 -5.967 -3.124 -0.306 858 H ARG 112 H ARG 112 -2.251 -7.286 1.438 859 HA ARG 112 HA ARG 112 0.652 -7.277 1.259 860 HB2 ARG 112 HB2 ARG 112 -1.314 -8.337 3.267 861 HB3 ARG 112 HB3 ARG 112 0.372 -8.828 3.303 862 HG2 ARG 112 HG2 ARG 112 -0.500 -5.953 3.401 863 HG3 ARG 112 HG3 ARG 112 -0.255 -6.948 4.840 864 HD2 ARG 112 HD2 ARG 112 1.798 -6.263 2.739 865 HD3 ARG 112 HD3 ARG 112 1.754 -5.685 4.407 866 HE ARG 112 HE ARG 112 1.796 -8.421 4.608 867 HH11 ARG 112 HH11 ARG 112 3.878 -6.002 3.159 868 HH12 ARG 112 HH12 ARG 112 5.325 -6.947 3.386 869 HH21 ARG 112 HH21 ARG 112 3.657 -9.674 4.837 870 HH22 ARG 112 HH22 ARG 112 5.192 -9.063 4.302 871 H ALA 113 H ALA 113 -1.493 -8.638 -0.476 872 HA ALA 113 HA ALA 113 -1.741 -10.491 -1.748 873 HB1 ALA 113 HB1 ALA 113 0.948 -11.324 -0.667 874 HB2 ALA 113 HB2 ALA 113 0.119 -12.027 -2.057 875 HB3 ALA 113 HB3 ALA 113 0.674 -10.354 -2.116 876 H GLN 114 H GLN 114 -3.032 -12.174 -1.431 877 HA GLN 114 HA GLN 114 -3.702 -12.960 1.207 878 HB2 GLN 114 HB2 GLN 114 -5.317 -14.431 0.220 879 HB3 GLN 114 HB3 GLN 114 -5.300 -12.946 -0.719 880 HG2 GLN 114 HG2 GLN 114 -3.728 -15.364 -1.533 881 HG3 GLN 114 HG3 GLN 114 -5.413 -15.142 -1.984 882 HE21 GLN 114 HE21 GLN 114 -5.180 -12.266 -2.279 883 HE22 GLN 114 HE22 GLN 114 -4.324 -12.004 -3.762 884 H GLU 115 H GLU 115 -3.690 -15.143 2.042 885 HA GLU 115 HA GLU 115 -1.226 -16.554 1.260 886 HB2 GLU 115 HB2 GLU 115 -2.516 -16.255 3.978 887 HB3 GLU 115 HB3 GLU 115 -1.152 -17.317 3.648 888 HG2 GLU 115 HG2 GLU 115 0.247 -15.461 3.093 889 HG3 GLU 115 HG3 GLU 115 -1.118 -14.349 3.161 890 H ALA 116 H ALA 116 -1.460 -18.521 0.499 891 HA ALA 116 HA ALA 116 -3.963 -19.744 0.139 892 HB1 ALA 116 HB1 ALA 116 -2.727 -21.622 -0.775 893 HB2 ALA 116 HB2 ALA 116 -2.035 -20.104 -1.347 894 HB3 ALA 116 HB3 ALA 116 -1.231 -21.010 -0.066 895 HA PRO 117 HA PRO 117 -4.498 -21.711 4.077 896 HB2 PRO 117 HB2 PRO 117 -6.483 -23.432 3.358 897 HB3 PRO 117 HB3 PRO 117 -6.750 -21.709 3.646 898 HG2 PRO 117 HG2 PRO 117 -6.429 -23.173 1.060 899 HG3 PRO 117 HG3 PRO 117 -7.546 -21.858 1.473 900 HD2 PRO 117 HD2 PRO 117 -5.254 -21.471 0.062 901 HD3 PRO 117 HD3 PRO 117 -5.953 -20.235 1.129 902 H GLY 118 H GLY 118 -2.658 -22.869 4.452 903 HA2 GLY 118 HA2 GLY 118 -2.692 -25.655 3.466 904 HA3 GLY 118 HA3 GLY 118 -1.198 -24.735 3.614 905 H GLN 119 H GLN 119 -0.357 -24.275 5.648 906 HA GLN 119 HA GLN 119 0.233 -24.768 7.781 907 HB2 GLN 119 HB2 GLN 119 -1.879 -23.511 8.199 908 HB3 GLN 119 HB3 GLN 119 -2.751 -25.037 8.218 909 HG2 GLN 119 HG2 GLN 119 -1.505 -25.756 10.165 910 HG3 GLN 119 HG3 GLN 119 -0.549 -24.276 10.124 911 HE21 GLN 119 HE21 GLN 119 -1.173 -23.646 12.156 912 HE22 GLN 119 HE22 GLN 119 -2.767 -23.067 12.517 913 H ALA 120 H ALA 120 0.978 -26.796 6.574 914 HA ALA 120 HA ALA 120 -0.095 -29.116 8.022 915 HB1 ALA 120 HB1 ALA 120 -0.925 -29.219 5.730 916 HB2 ALA 120 HB2 ALA 120 0.724 -29.095 5.117 917 HB3 ALA 120 HB3 ALA 120 0.230 -30.516 6.040 918 H1 GLN 1 HT1 GLN 1 -15.245 24.476 5.186 919 H2 GLN 1 HT2 GLN 1 -14.038 23.645 4.339 920 H3 GLN 1 HT3 GLN 1 -15.010 22.818 5.453 921 HA GLN 1 HA GLN 1 -16.922 23.036 4.112 922 HB2 GLN 1 HB2 GLN 1 -15.151 24.846 2.474 923 HB3 GLN 1 HB3 GLN 1 -16.568 24.078 1.772 924 HG2 GLN 1 HG2 GLN 1 -17.365 26.149 2.364 925 HG3 GLN 1 HG3 GLN 1 -17.845 25.159 3.736 926 HE21 GLN 1 HE21 GLN 1 -17.385 28.046 3.463 927 HE22 GLN 1 HE22 GLN 1 -16.221 28.456 4.688 928 H ASP 2 H ASP 2 -17.116 22.095 1.705 929 HA ASP 2 HA ASP 2 -15.421 19.804 1.507 930 HB2 ASP 2 HB2 ASP 2 -17.335 21.014 -0.506 931 HB3 ASP 2 HB3 ASP 2 -16.524 19.465 -0.711 932 H THR 3 H THR 3 -13.340 20.000 0.995 933 HA THR 3 HA THR 3 -12.578 22.435 -0.487 934 HB THR 3 HB THR 3 -11.982 22.445 1.911 935 HG1 THR 3 HG1 THR 3 -10.550 23.706 0.972 936 HG21 THR 3 HG21 THR 3 -10.172 20.991 2.718 937 HG22 THR 3 HG22 THR 3 -11.589 20.056 2.239 938 HG23 THR 3 HG23 THR 3 -10.183 20.132 1.179 939 H ARG 4 H ARG 4 -10.734 22.413 -1.812 940 HA ARG 4 HA ARG 4 -10.234 19.923 -3.181 941 HB2 ARG 4 HB2 ARG 4 -10.351 21.901 -4.548 942 HB3 ARG 4 HB3 ARG 4 -9.145 22.716 -3.564 943 HG2 ARG 4 HG2 ARG 4 -7.479 21.030 -4.297 944 HG3 ARG 4 HG3 ARG 4 -8.701 20.349 -5.370 945 HD2 ARG 4 HD2 ARG 4 -8.857 22.458 -6.566 946 HD3 ARG 4 HD3 ARG 4 -7.694 23.189 -5.460 947 HE ARG 4 HE ARG 4 -6.039 21.605 -6.355 948 HH11 ARG 4 HH11 ARG 4 -8.915 22.301 -8.216 949 HH12 ARG 4 HH12 ARG 4 -8.203 21.835 -9.741 950 HH21 ARG 4 HH21 ARG 4 -5.085 21.002 -8.358 951 HH22 ARG 4 HH22 ARG 4 -6.036 21.081 -9.816 952 H LEU 5 H LEU 5 -8.690 18.550 -2.706 953 HA LEU 5 HA LEU 5 -6.626 19.279 -0.797 954 HB2 LEU 5 HB2 LEU 5 -7.782 16.755 -1.828 955 HB3 LEU 5 HB3 LEU 5 -6.109 16.710 -1.327 956 HG LEU 5 HG LEU 5 -6.853 17.659 0.896 957 HD11 LEU 5 HD11 LEU 5 -9.580 17.008 -0.204 958 HD12 LEU 5 HD12 LEU 5 -9.220 17.434 1.468 959 HD13 LEU 5 HD13 LEU 5 -8.963 18.614 0.183 960 HD21 LEU 5 HD21 LEU 5 -6.353 15.299 0.626 961 HD22 LEU 5 HD22 LEU 5 -7.707 15.532 1.731 962 HD23 LEU 5 HD23 LEU 5 -8.001 15.000 0.075 Start of MODEL 17 1 H1 GLY 4 HT1 GLY 4 -17.963 -19.561 3.697 2 H2 GLY 4 HT2 GLY 4 -18.492 -18.222 4.593 3 H3 GLY 4 HT3 GLY 4 -18.914 -19.791 5.084 4 HA2 GLY 4 HA3 GLY 4 -17.159 -18.964 6.491 5 HA3 GLY 4 HA2 GLY 4 -16.573 -20.294 5.502 6 H ILE 5 H ILE 5 -15.891 -19.352 3.186 7 HA ILE 5 HA ILE 5 -14.104 -17.077 3.722 8 HB ILE 5 HB ILE 5 -12.708 -17.935 1.841 9 HG12 ILE 5 HG12 ILE 5 -13.068 -20.510 1.477 10 HG13 ILE 5 HG13 ILE 5 -14.731 -20.147 1.919 11 HG21 ILE 5 HG21 ILE 5 -11.674 -19.755 3.135 12 HG22 ILE 5 HG22 ILE 5 -12.059 -18.346 4.123 13 HG23 ILE 5 HG23 ILE 5 -13.087 -19.780 4.191 14 HD11 ILE 5 HD11 ILE 5 -14.460 -20.166 -0.486 15 HD12 ILE 5 HD12 ILE 5 -14.852 -18.537 0.073 16 HD13 ILE 5 HD13 ILE 5 -13.194 -18.943 -0.373 17 H ASP 6 H ASP 6 -13.478 -16.014 1.509 18 HA ASP 6 HA ASP 6 -15.902 -15.662 -0.111 19 HB2 ASP 6 HB2 ASP 6 -15.814 -13.338 0.054 20 HB3 ASP 6 HB3 ASP 6 -15.484 -13.859 1.696 21 HA PRO 7 HA PRO 7 -13.074 -15.931 -3.446 22 HB2 PRO 7 HB2 PRO 7 -14.661 -14.381 -5.248 23 HB3 PRO 7 HB3 PRO 7 -14.631 -16.137 -5.067 24 HG2 PRO 7 HG2 PRO 7 -16.772 -14.508 -4.420 25 HG3 PRO 7 HG3 PRO 7 -16.513 -16.144 -3.791 26 HD2 PRO 7 HD2 PRO 7 -15.949 -13.502 -2.507 27 HD3 PRO 7 HD3 PRO 7 -16.555 -15.008 -1.781 28 H PHE 8 H PHE 8 -13.200 -13.213 -1.826 29 HA PHE 8 HA PHE 8 -12.357 -11.126 -1.880 30 HB2 PHE 8 HB2 PHE 8 -10.289 -12.640 -3.461 31 HB3 PHE 8 HB3 PHE 8 -10.073 -10.979 -2.930 32 HD1 PHE 8 HD1 PHE 8 -10.252 -10.500 -0.436 33 HD2 PHE 8 HD2 PHE 8 -9.777 -14.413 -2.040 34 HE1 PHE 8 HE1 PHE 8 -9.443 -11.293 1.747 35 HE2 PHE 8 HE2 PHE 8 -8.969 -15.211 0.140 36 HZ PHE 8 HZ PHE 8 -8.802 -13.652 2.039 37 H THR 9 H THR 9 -14.172 -10.373 -3.060 38 HA THR 9 HA THR 9 -13.604 -9.698 -5.868 39 HB THR 9 HB THR 9 -15.483 -11.165 -5.806 40 HG1 THR 9 HG1 THR 9 -16.333 -9.847 -7.202 41 HG21 THR 9 HG21 THR 9 -16.052 -11.058 -3.468 42 HG22 THR 9 HG22 THR 9 -16.607 -9.388 -3.638 43 HG23 THR 9 HG23 THR 9 -17.489 -10.701 -4.425 44 H MET 10 H MET 10 -14.119 -7.609 -6.590 45 HA MET 10 HA MET 10 -13.950 -5.358 -6.449 46 HB2 MET 10 HB2 MET 10 -15.868 -5.873 -4.189 47 HB3 MET 10 HB3 MET 10 -15.341 -4.246 -4.599 48 HG2 MET 10 HG2 MET 10 -16.197 -4.586 -6.888 49 HG3 MET 10 HG3 MET 10 -16.805 -6.165 -6.394 50 HE1 MET 10 HE1 MET 10 -18.625 -3.913 -7.739 51 HE2 MET 10 HE2 MET 10 -19.216 -5.502 -7.251 52 HE3 MET 10 HE3 MET 10 -20.075 -4.047 -6.744 53 H LEU 11 H LEU 11 -11.722 -5.791 -5.974 54 HA LEU 11 HA LEU 11 -10.796 -5.881 -3.275 55 HB2 LEU 11 HB2 LEU 11 -9.271 -5.417 -5.843 56 HB3 LEU 11 HB3 LEU 11 -8.546 -5.733 -4.281 57 HG LEU 11 HG LEU 11 -8.428 -7.783 -5.388 58 HD11 LEU 11 HD11 LEU 11 -9.954 -9.274 -4.206 59 HD12 LEU 11 HD12 LEU 11 -9.301 -8.031 -3.139 60 HD13 LEU 11 HD13 LEU 11 -10.950 -7.893 -3.749 61 HD21 LEU 11 HD21 LEU 11 -11.290 -7.429 -6.266 62 HD22 LEU 11 HD22 LEU 11 -9.860 -7.235 -7.283 63 HD23 LEU 11 HD23 LEU 11 -10.261 -8.818 -6.617 64 HA PRO 12 HA PRO 12 -10.786 -1.546 -2.369 65 HB2 PRO 12 HB2 PRO 12 -8.797 -1.619 -0.462 66 HB3 PRO 12 HB3 PRO 12 -10.491 -2.009 -0.156 67 HG2 PRO 12 HG2 PRO 12 -8.186 -3.841 -0.668 68 HG3 PRO 12 HG3 PRO 12 -9.519 -4.010 0.491 69 HD2 PRO 12 HD2 PRO 12 -9.490 -5.371 -1.820 70 HD3 PRO 12 HD3 PRO 12 -11.002 -4.744 -1.132 71 H ARG 13 H ARG 13 -9.707 0.197 -3.114 72 HA ARG 13 HA ARG 13 -7.306 -0.397 -4.677 73 HB2 ARG 13 HB2 ARG 13 -9.106 0.468 -5.972 74 HB3 ARG 13 HB3 ARG 13 -9.400 1.764 -4.827 75 HG2 ARG 13 HG2 ARG 13 -7.399 2.886 -5.480 76 HG3 ARG 13 HG3 ARG 13 -6.898 1.513 -6.472 77 HD2 ARG 13 HD2 ARG 13 -7.880 3.421 -7.756 78 HD3 ARG 13 HD3 ARG 13 -8.680 1.873 -8.011 79 HE ARG 13 HE ARG 13 -9.781 3.867 -6.136 80 HH11 ARG 13 HH11 ARG 13 -10.107 1.751 -8.909 81 HH12 ARG 13 HH12 ARG 13 -11.810 2.067 -9.110 82 HH21 ARG 13 HH21 ARG 13 -12.039 4.269 -6.380 83 HH22 ARG 13 HH22 ARG 13 -12.894 3.481 -7.675 84 H LEU 14 H LEU 14 -5.388 0.374 -4.116 85 HA LEU 14 HA LEU 14 -5.246 2.499 -2.083 86 HB2 LEU 14 HB2 LEU 14 -4.215 0.354 -1.449 87 HB3 LEU 14 HB3 LEU 14 -3.192 0.424 -2.872 88 HG LEU 14 HG LEU 14 -2.134 2.482 -1.959 89 HD11 LEU 14 HD11 LEU 14 -2.477 3.000 0.424 90 HD12 LEU 14 HD12 LEU 14 -3.927 3.274 -0.543 91 HD13 LEU 14 HD13 LEU 14 -3.800 1.835 0.469 92 HD21 LEU 14 HD21 LEU 14 -0.810 1.341 -0.264 93 HD22 LEU 14 HD22 LEU 14 -2.030 0.071 -0.153 94 HD23 LEU 14 HD23 LEU 14 -1.113 0.287 -1.644 95 H CYS 15 H CYS 15 -4.757 4.459 -2.870 96 HA CYS 15 HA CYS 15 -3.279 4.547 -5.423 97 HB2 CYS 15 HB2 CYS 15 -5.377 6.426 -4.328 98 HB3 CYS 15 HB3 CYS 15 -4.438 6.738 -5.785 99 HG CYS 15 HG CYS 15 -5.502 4.715 -7.281 100 H CYS 16 H CYS 16 -1.324 5.420 -5.359 101 HA CYS 16 HA CYS 16 -0.542 7.046 -3.085 102 HB2 CYS 16 HB2 CYS 16 1.707 7.024 -4.334 103 HB3 CYS 16 HB3 CYS 16 1.132 5.497 -3.673 104 HG CYS 16 HG CYS 16 1.655 6.396 -6.863 105 H LEU 17 H LEU 17 -1.179 9.070 -3.155 106 HA LEU 17 HA LEU 17 -1.502 10.443 -5.704 107 HB2 LEU 17 HB2 LEU 17 -2.685 10.609 -3.078 108 HB3 LEU 17 HB3 LEU 17 -2.110 12.184 -3.586 109 HG LEU 17 HG LEU 17 -4.424 11.944 -4.197 110 HD11 LEU 17 HD11 LEU 17 -4.291 12.447 -6.545 111 HD12 LEU 17 HD12 LEU 17 -2.908 13.157 -5.715 112 HD13 LEU 17 HD13 LEU 17 -2.706 11.680 -6.655 113 HD21 LEU 17 HD21 LEU 17 -5.199 10.221 -5.721 114 HD22 LEU 17 HD22 LEU 17 -3.583 9.513 -5.771 115 HD23 LEU 17 HD23 LEU 17 -4.509 9.498 -4.269 116 H GLU 18 H GLU 18 -0.124 11.890 -6.464 117 HA GLU 18 HA GLU 18 2.062 12.808 -4.743 118 HB2 GLU 18 HB2 GLU 18 2.690 11.699 -6.856 119 HB3 GLU 18 HB3 GLU 18 1.774 12.902 -7.754 120 HG2 GLU 18 HG2 GLU 18 3.276 14.632 -7.133 121 HG3 GLU 18 HG3 GLU 18 4.089 13.588 -5.967 122 H LYS 19 H LYS 19 2.243 14.888 -4.177 123 HA LYS 19 HA LYS 19 0.081 16.646 -4.420 124 HB2 LYS 19 HB2 LYS 19 1.603 16.822 -2.560 125 HB3 LYS 19 HB3 LYS 19 2.954 17.150 -3.638 126 HG2 LYS 19 HG2 LYS 19 2.528 19.273 -3.030 127 HG3 LYS 19 HG3 LYS 19 1.357 19.169 -4.343 128 HD2 LYS 19 HD2 LYS 19 0.789 18.755 -1.412 129 HD3 LYS 19 HD3 LYS 19 0.372 20.177 -2.365 130 HE2 LYS 19 HE2 LYS 19 -1.062 18.738 -3.783 131 HE3 LYS 19 HE3 LYS 19 -0.717 17.389 -2.700 132 HZ1 LYS 19 HZ1 LYS 19 -1.703 18.659 -0.878 133 HZ2 LYS 19 HZ2 LYS 19 -2.048 19.937 -1.931 134 HZ3 LYS 19 HZ3 LYS 19 -2.822 18.443 -2.137 135 H GLY 20 H GLY 20 -0.486 18.057 -5.893 136 HA2 GLY 20 HA2 GLY 20 1.354 18.596 -8.126 137 HA3 GLY 20 HA3 GLY 20 -0.399 18.759 -8.185 138 HA PRO 21 HA PRO 21 1.828 22.927 -7.731 139 HB2 PRO 21 HB2 PRO 21 -0.180 24.130 -9.285 140 HB3 PRO 21 HB3 PRO 21 1.439 23.682 -9.825 141 HG2 PRO 21 HG2 PRO 21 -1.139 22.230 -10.146 142 HG3 PRO 21 HG3 PRO 21 0.248 22.322 -11.246 143 HD2 PRO 21 HD2 PRO 21 -0.228 20.128 -9.790 144 HD3 PRO 21 HD3 PRO 21 1.431 20.692 -10.089 145 H ASN 22 H ASN 22 -1.714 22.390 -7.810 146 HA ASN 22 HA ASN 22 -1.893 24.153 -5.449 147 HB2 ASN 22 HB2 ASN 22 -4.190 24.731 -6.193 148 HB3 ASN 22 HB3 ASN 22 -2.956 25.230 -7.341 149 HD21 ASN 22 HD21 ASN 22 -2.854 24.289 -9.334 150 HD22 ASN 22 HD22 ASN 22 -4.096 23.236 -9.941 151 H GLY 23 H GLY 23 -1.675 21.106 -5.905 152 HA2 GLY 23 HA2 GLY 23 -2.574 19.961 -3.778 153 HA3 GLY 23 HA3 GLY 23 -4.135 20.335 -4.491 154 H TYR 24 H TYR 24 -4.209 17.930 -4.138 155 HA TYR 24 HA TYR 24 -2.780 16.290 -6.039 156 HB2 TYR 24 HB2 TYR 24 -5.077 15.586 -4.197 157 HB3 TYR 24 HB3 TYR 24 -4.086 14.440 -5.092 158 HD1 TYR 24 HD1 TYR 24 -1.493 14.642 -4.608 159 HD2 TYR 24 HD2 TYR 24 -4.552 15.999 -1.991 160 HE1 TYR 24 HE1 TYR 24 0.081 14.536 -2.728 161 HE2 TYR 24 HE2 TYR 24 -2.989 15.895 -0.097 162 HH TYR 24 HH TYR 24 -0.926 14.752 0.530 163 H GLY 25 H GLY 25 -5.931 17.786 -5.701 164 HA2 GLY 25 HA2 GLY 25 -6.731 18.625 -7.882 165 HA3 GLY 25 HA3 GLY 25 -6.389 17.031 -8.524 166 H PHE 26 H PHE 26 -7.800 16.934 -5.397 167 HA PHE 26 HA PHE 26 -10.492 16.873 -6.560 168 HB2 PHE 26 HB2 PHE 26 -11.044 14.814 -5.278 169 HB3 PHE 26 HB3 PHE 26 -9.851 14.537 -6.544 170 HD1 PHE 26 HD1 PHE 26 -7.441 14.295 -5.908 171 HD2 PHE 26 HD2 PHE 26 -10.563 14.334 -3.022 172 HE1 PHE 26 HE1 PHE 26 -5.932 13.253 -4.269 173 HE2 PHE 26 HE2 PHE 26 -9.057 13.296 -1.376 174 HZ PHE 26 HZ PHE 26 -6.739 12.751 -2.001 175 H HIS 27 H HIS 27 -12.180 17.192 -4.999 176 HA HIS 27 HA HIS 27 -11.139 18.328 -2.503 177 HB2 HIS 27 HB2 HIS 27 -13.152 19.793 -2.438 178 HB3 HIS 27 HB3 HIS 27 -12.061 20.139 -3.767 179 HD1 HIS 27 HD1 HIS 27 -15.536 19.131 -2.994 180 HD2 HIS 27 HD2 HIS 27 -13.096 19.501 -6.339 181 HE1 HIS 27 HE1 HIS 27 -17.086 19.125 -4.967 182 HE2 HIS 27 HE2 HIS 27 -15.601 19.604 -6.947 183 H LEU 28 H LEU 28 -11.932 17.689 -0.645 184 HA LEU 28 HA LEU 28 -13.705 15.356 -0.692 185 HB2 LEU 28 HB2 LEU 28 -11.346 15.439 0.399 186 HB3 LEU 28 HB3 LEU 28 -12.107 16.397 1.648 187 HG LEU 28 HG LEU 28 -11.830 14.039 2.287 188 HD11 LEU 28 HD11 LEU 28 -14.724 14.811 1.985 189 HD12 LEU 28 HD12 LEU 28 -14.064 13.639 3.124 190 HD13 LEU 28 HD13 LEU 28 -13.646 15.346 3.274 191 HD21 LEU 28 HD21 LEU 28 -13.762 13.469 0.049 192 HD22 LEU 28 HD22 LEU 28 -12.052 13.036 0.080 193 HD23 LEU 28 HD23 LEU 28 -13.169 12.303 1.232 194 H HIS 29 H HIS 29 -15.761 15.596 0.002 195 HA HIS 29 HA HIS 29 -16.405 18.097 1.395 196 HB2 HIS 29 HB2 HIS 29 -17.543 17.900 -0.738 197 HB3 HIS 29 HB3 HIS 29 -18.122 16.292 -0.325 198 HD1 HIS 29 HD1 HIS 29 -18.857 19.906 0.160 199 HD2 HIS 29 HD2 HIS 29 -20.246 16.237 1.526 200 HE1 HIS 29 HE1 HIS 29 -21.079 20.386 1.232 201 HE2 HIS 29 HE2 HIS 29 -21.872 18.168 2.131 202 H GLY 30 H GLY 30 -17.225 18.015 3.389 203 HA2 GLY 30 HA2 GLY 30 -17.754 15.318 4.475 204 HA3 GLY 30 HA3 GLY 30 -16.928 16.577 5.382 205 H GLU 31 H GLU 31 -19.408 15.040 5.875 206 HA GLU 31 HA GLU 31 -21.177 17.345 6.281 207 HB2 GLU 31 HB2 GLU 31 -22.998 15.494 6.401 208 HB3 GLU 31 HB3 GLU 31 -22.414 16.027 4.831 209 HG2 GLU 31 HG2 GLU 31 -20.735 14.020 5.167 210 HG3 GLU 31 HG3 GLU 31 -22.017 13.443 6.233 211 H LYS 32 H LYS 32 -22.593 17.100 8.232 212 HA LYS 32 HA LYS 32 -20.807 17.014 10.411 213 HB2 LYS 32 HB2 LYS 32 -22.704 18.574 10.276 214 HB3 LYS 32 HB3 LYS 32 -23.819 17.224 10.442 215 HG2 LYS 32 HG2 LYS 32 -22.848 16.744 12.665 216 HG3 LYS 32 HG3 LYS 32 -21.832 18.177 12.496 217 HD2 LYS 32 HD2 LYS 32 -23.796 18.687 13.825 218 HD3 LYS 32 HD3 LYS 32 -23.846 19.565 12.295 219 HE2 LYS 32 HE2 LYS 32 -25.341 17.821 11.388 220 HE3 LYS 32 HE3 LYS 32 -25.337 17.030 12.963 221 HZ1 LYS 32 HZ1 LYS 32 -26.342 19.768 12.393 222 HZ2 LYS 32 HZ2 LYS 32 -27.291 18.395 12.683 223 HZ3 LYS 32 HZ3 LYS 32 -26.320 19.028 13.918 224 H GLY 33 H GLY 33 -20.280 15.495 11.754 225 HA2 GLY 33 HA2 GLY 33 -21.671 13.642 13.094 226 HA3 GLY 33 HA3 GLY 33 -21.445 12.854 11.534 227 H LYS 34 H LYS 34 -19.944 11.321 11.966 228 HA LYS 34 HA LYS 34 -17.348 12.319 12.932 229 HB2 LYS 34 HB2 LYS 34 -18.525 9.542 13.135 230 HB3 LYS 34 HB3 LYS 34 -16.837 9.903 13.454 231 HG2 LYS 34 HG2 LYS 34 -17.582 11.471 15.241 232 HG3 LYS 34 HG3 LYS 34 -19.230 10.895 14.981 233 HD2 LYS 34 HD2 LYS 34 -18.607 8.656 15.593 234 HD3 LYS 34 HD3 LYS 34 -16.903 9.108 15.669 235 HE2 LYS 34 HE2 LYS 34 -17.437 10.663 17.513 236 HE3 LYS 34 HE3 LYS 34 -19.107 10.099 17.471 237 HZ1 LYS 34 HZ1 LYS 34 -16.780 8.318 17.941 238 HZ2 LYS 34 HZ2 LYS 34 -17.687 9.024 19.186 239 HZ3 LYS 34 HZ3 LYS 34 -18.424 7.930 18.121 240 H LEU 35 H LEU 35 -18.493 9.514 11.134 241 HA LEU 35 HA LEU 35 -16.325 9.895 9.230 242 HB2 LEU 35 HB2 LEU 35 -17.370 7.555 8.474 243 HB3 LEU 35 HB3 LEU 35 -16.162 7.707 9.730 244 HG LEU 35 HG LEU 35 -18.151 7.806 11.365 245 HD11 LEU 35 HD11 LEU 35 -20.158 6.646 10.631 246 HD12 LEU 35 HD12 LEU 35 -19.906 8.126 9.703 247 HD13 LEU 35 HD13 LEU 35 -19.520 6.560 8.989 248 HD21 LEU 35 HD21 LEU 35 -16.617 5.962 11.300 249 HD22 LEU 35 HD22 LEU 35 -18.266 5.344 11.431 250 HD23 LEU 35 HD23 LEU 35 -17.427 5.289 9.882 251 H GLY 36 H GLY 36 -16.615 10.199 7.090 252 HA2 GLY 36 HA2 GLY 36 -18.827 9.924 5.513 253 HA3 GLY 36 HA3 GLY 36 -19.092 11.453 6.342 254 H GLN 37 H GLN 37 -16.238 9.866 4.955 255 HA GLN 37 HA GLN 37 -15.528 12.394 3.663 256 HB2 GLN 37 HB2 GLN 37 -13.932 9.855 4.074 257 HB3 GLN 37 HB3 GLN 37 -13.328 11.296 3.275 258 HG2 GLN 37 HG2 GLN 37 -12.460 11.303 5.462 259 HG3 GLN 37 HG3 GLN 37 -13.712 12.535 5.416 260 HE21 GLN 37 HE21 GLN 37 -13.836 12.432 7.690 261 HE22 GLN 37 HE22 GLN 37 -14.634 11.133 8.499 262 H TYR 38 H TYR 38 -16.107 12.645 1.597 263 HA TYR 38 HA TYR 38 -16.116 10.296 -0.160 264 HB2 TYR 38 HB2 TYR 38 -18.340 12.334 0.078 265 HB3 TYR 38 HB3 TYR 38 -18.236 11.113 -1.188 266 HD1 TYR 38 HD2 TYR 38 -18.235 8.673 -0.486 267 HD2 TYR 38 HD1 TYR 38 -19.334 11.830 2.144 268 HE1 TYR 38 HE2 TYR 38 -19.372 7.054 0.963 269 HE2 TYR 38 HE1 TYR 38 -20.484 10.221 3.604 270 HH TYR 38 HH TYR 38 -21.458 8.028 3.531 271 H ILE 39 H ILE 39 -15.145 10.625 -2.040 272 HA ILE 39 HA ILE 39 -14.293 13.254 -2.860 273 HB ILE 39 HB ILE 39 -14.311 10.781 -4.587 274 HG12 ILE 39 HG12 ILE 39 -13.210 10.203 -2.468 275 HG13 ILE 39 HG13 ILE 39 -12.049 10.276 -3.789 276 HG21 ILE 39 HG21 ILE 39 -12.369 11.880 -5.636 277 HG22 ILE 39 HG22 ILE 39 -13.840 12.848 -5.736 278 HG23 ILE 39 HG23 ILE 39 -12.594 13.256 -4.556 279 HD11 ILE 39 HD11 ILE 39 -12.502 12.413 -1.723 280 HD12 ILE 39 HD12 ILE 39 -11.169 11.257 -1.751 281 HD13 ILE 39 HD13 ILE 39 -11.318 12.460 -3.030 282 H ARG 40 H ARG 40 -15.632 14.656 -3.894 283 HA ARG 40 HA ARG 40 -18.033 13.452 -5.081 284 HB2 ARG 40 HB2 ARG 40 -17.629 16.198 -3.910 285 HB3 ARG 40 HB3 ARG 40 -19.072 15.727 -4.803 286 HG2 ARG 40 HG2 ARG 40 -19.275 13.801 -3.147 287 HG3 ARG 40 HG3 ARG 40 -18.068 14.651 -2.184 288 HD2 ARG 40 HD2 ARG 40 -19.518 16.581 -2.017 289 HD3 ARG 40 HD3 ARG 40 -20.703 15.816 -3.074 290 HE ARG 40 HE ARG 40 -19.999 14.754 -0.403 291 HH11 ARG 40 HH11 ARG 40 -22.345 15.474 -2.909 292 HH12 ARG 40 HH12 ARG 40 -23.688 14.840 -2.000 293 HH21 ARG 40 HH21 ARG 40 -21.759 13.956 0.799 294 HH22 ARG 40 HH22 ARG 40 -23.354 13.986 0.114 295 H LEU 41 H LEU 41 -15.218 15.202 -5.872 296 HA LEU 41 HA LEU 41 -15.831 14.970 -8.651 297 HB2 LEU 41 HB2 LEU 41 -16.966 17.133 -7.849 298 HB3 LEU 41 HB3 LEU 41 -15.349 17.779 -7.681 299 HG LEU 41 HG LEU 41 -16.580 18.381 -9.799 300 HD11 LEU 41 HD11 LEU 41 -13.937 16.979 -10.111 301 HD12 LEU 41 HD12 LEU 41 -14.632 18.141 -11.240 302 HD13 LEU 41 HD13 LEU 41 -14.176 18.653 -9.614 303 HD21 LEU 41 HD21 LEU 41 -16.001 15.505 -10.493 304 HD22 LEU 41 HD22 LEU 41 -17.597 16.208 -10.232 305 HD23 LEU 41 HD23 LEU 41 -16.614 16.737 -11.597 306 H VAL 42 H VAL 42 -14.019 14.765 -9.807 307 HA VAL 42 HA VAL 42 -11.443 15.412 -8.524 308 HB VAL 42 HB VAL 42 -12.031 13.131 -10.429 309 HG11 VAL 42 HG11 VAL 42 -9.765 14.003 -10.687 310 HG12 VAL 42 HG12 VAL 42 -9.493 13.825 -8.954 311 HG13 VAL 42 HG13 VAL 42 -9.750 12.398 -9.958 312 HG21 VAL 42 HG21 VAL 42 -11.412 13.063 -7.481 313 HG22 VAL 42 HG22 VAL 42 -12.984 12.739 -8.215 314 HG23 VAL 42 HG23 VAL 42 -11.623 11.661 -8.529 315 H GLU 43 H GLU 43 -9.975 16.526 -9.745 316 HA GLU 43 HA GLU 43 -10.883 17.843 -12.104 317 HB2 GLU 43 HB2 GLU 43 -9.309 18.754 -10.327 318 HB3 GLU 43 HB3 GLU 43 -8.067 17.727 -11.027 319 HG2 GLU 43 HG2 GLU 43 -8.361 18.884 -13.176 320 HG3 GLU 43 HG3 GLU 43 -9.542 19.943 -12.406 321 HA PRO 44 HA PRO 44 -9.684 14.716 -15.033 322 HB2 PRO 44 HB2 PRO 44 -9.526 16.328 -17.241 323 HB3 PRO 44 HB3 PRO 44 -11.047 15.726 -16.569 324 HG2 PRO 44 HG2 PRO 44 -9.725 18.385 -16.182 325 HG3 PRO 44 HG3 PRO 44 -11.432 18.021 -16.483 326 HD2 PRO 44 HD2 PRO 44 -10.542 18.588 -14.020 327 HD3 PRO 44 HD3 PRO 44 -11.812 17.375 -14.287 328 H GLY 45 H GLY 45 -7.857 17.586 -14.411 329 HA2 GLY 45 HA2 GLY 45 -5.492 16.393 -15.711 330 HA3 GLY 45 HA3 GLY 45 -5.713 18.113 -15.436 331 H SER 46 H SER 46 -6.241 15.414 -13.196 332 HA SER 46 HA SER 46 -4.112 16.538 -11.502 333 HB2 SER 46 HB2 SER 46 -5.458 16.014 -9.542 334 HB3 SER 46 HB3 SER 46 -6.393 17.036 -10.635 335 HG SER 46 HG SER 46 -7.560 15.250 -11.291 336 HA PRO 47 HA PRO 47 -2.378 12.443 -11.348 337 HB2 PRO 47 HB2 PRO 47 -1.428 12.459 -8.773 338 HB3 PRO 47 HB3 PRO 47 -0.598 13.204 -10.141 339 HG2 PRO 47 HG2 PRO 47 -2.328 14.463 -8.054 340 HG3 PRO 47 HG3 PRO 47 -0.820 15.060 -8.771 341 HD2 PRO 47 HD2 PRO 47 -3.229 16.000 -9.531 342 HD3 PRO 47 HD3 PRO 47 -1.888 15.825 -10.684 343 H ALA 48 H ALA 48 -4.902 13.521 -9.305 344 HA ALA 48 HA ALA 48 -5.283 11.287 -7.654 345 HB1 ALA 48 HB1 ALA 48 -6.361 13.443 -7.264 346 HB2 ALA 48 HB2 ALA 48 -7.351 13.205 -8.704 347 HB3 ALA 48 HB3 ALA 48 -7.540 12.131 -7.317 348 H GLU 49 H GLU 49 -6.865 12.097 -10.758 349 HA GLU 49 HA GLU 49 -8.244 9.608 -10.866 350 HB2 GLU 49 HB2 GLU 49 -8.878 10.248 -13.140 351 HB3 GLU 49 HB3 GLU 49 -9.136 11.564 -12.011 352 HG2 GLU 49 HG2 GLU 49 -8.143 12.802 -13.576 353 HG3 GLU 49 HG3 GLU 49 -6.647 12.141 -12.921 354 H LYS 50 H LYS 50 -5.160 10.749 -11.933 355 HA LYS 50 HA LYS 50 -4.443 8.601 -13.613 356 HB2 LYS 50 HB2 LYS 50 -2.730 10.418 -11.910 357 HB3 LYS 50 HB3 LYS 50 -2.107 9.324 -13.139 358 HG2 LYS 50 HG2 LYS 50 -3.285 10.528 -14.864 359 HG3 LYS 50 HG3 LYS 50 -4.034 11.576 -13.661 360 HD2 LYS 50 HD2 LYS 50 -2.147 12.672 -14.780 361 HD3 LYS 50 HD3 LYS 50 -1.850 12.466 -13.053 362 HE2 LYS 50 HE2 LYS 50 -0.422 10.581 -13.472 363 HE3 LYS 50 HE3 LYS 50 -0.834 10.597 -15.186 364 HZ1 LYS 50 HZ1 LYS 50 0.283 12.661 -15.463 365 HZ2 LYS 50 HZ2 LYS 50 0.539 12.833 -13.795 366 HZ3 LYS 50 HZ3 LYS 50 1.344 11.613 -14.657 367 H ALA 51 H ALA 51 -4.234 9.091 -10.129 368 HA ALA 51 HA ALA 51 -2.828 6.690 -9.557 369 HB1 ALA 51 HB1 ALA 51 -4.664 8.241 -7.728 370 HB2 ALA 51 HB2 ALA 51 -3.390 7.113 -7.258 371 HB3 ALA 51 HB3 ALA 51 -2.971 8.644 -8.025 372 H GLY 52 H GLY 52 -6.149 7.442 -10.197 373 HA2 GLY 52 HA2 GLY 52 -7.470 5.504 -11.000 374 HA3 GLY 52 HA3 GLY 52 -6.868 4.637 -9.592 375 H LEU 53 H LEU 53 -7.207 7.493 -8.328 376 HA LEU 53 HA LEU 53 -9.568 6.934 -6.896 377 HB2 LEU 53 HB2 LEU 53 -7.638 8.311 -6.105 378 HB3 LEU 53 HB3 LEU 53 -8.123 9.572 -7.216 379 HG LEU 53 HG LEU 53 -10.113 8.648 -5.195 380 HD11 LEU 53 HD11 LEU 53 -8.111 8.869 -3.869 381 HD12 LEU 53 HD12 LEU 53 -7.744 10.423 -4.621 382 HD13 LEU 53 HD13 LEU 53 -9.159 10.259 -3.577 383 HD21 LEU 53 HD21 LEU 53 -10.726 10.319 -6.878 384 HD22 LEU 53 HD22 LEU 53 -10.734 11.009 -5.254 385 HD23 LEU 53 HD23 LEU 53 -9.392 11.345 -6.347 386 H LEU 54 H LEU 54 -11.572 7.331 -7.250 387 HA LEU 54 HA LEU 54 -12.309 8.833 -9.674 388 HB2 LEU 54 HB2 LEU 54 -13.140 6.840 -10.265 389 HB3 LEU 54 HB3 LEU 54 -12.924 6.188 -8.656 390 HG LEU 54 HG LEU 54 -15.094 7.496 -8.108 391 HD11 LEU 54 HD11 LEU 54 -15.325 7.205 -11.103 392 HD12 LEU 54 HD12 LEU 54 -16.638 7.650 -10.012 393 HD13 LEU 54 HD13 LEU 54 -15.250 8.723 -10.208 394 HD21 LEU 54 HD21 LEU 54 -16.419 5.543 -8.759 395 HD22 LEU 54 HD22 LEU 54 -15.103 5.002 -9.800 396 HD23 LEU 54 HD23 LEU 54 -14.872 5.078 -8.053 397 H ALA 55 H ALA 55 -14.113 10.184 -9.588 398 HA ALA 55 HA ALA 55 -14.680 11.477 -7.138 399 HB1 ALA 55 HB1 ALA 55 -16.376 12.706 -8.387 400 HB2 ALA 55 HB2 ALA 55 -14.875 12.594 -9.312 401 HB3 ALA 55 HB3 ALA 55 -16.245 11.557 -9.719 402 H GLY 56 H GLY 56 -15.287 9.824 -5.731 403 HA2 GLY 56 HA2 GLY 56 -17.850 9.409 -5.051 404 HA3 GLY 56 HA3 GLY 56 -17.601 8.180 -6.284 405 H ASP 57 H ASP 57 -14.649 8.339 -5.164 406 HA ASP 57 HA ASP 57 -14.808 5.956 -3.680 407 HB2 ASP 57 HB2 ASP 57 -12.644 7.890 -4.351 408 HB3 ASP 57 HB3 ASP 57 -12.354 6.736 -3.058 409 H ARG 58 H ARG 58 -14.809 5.511 -1.592 410 HA ARG 58 HA ARG 58 -14.890 7.681 0.368 411 HB2 ARG 58 HB2 ARG 58 -15.350 4.701 0.589 412 HB3 ARG 58 HB3 ARG 58 -15.403 5.804 1.956 413 HG2 ARG 58 HG2 ARG 58 -17.313 6.912 1.087 414 HG3 ARG 58 HG3 ARG 58 -17.182 6.055 -0.451 415 HD2 ARG 58 HD2 ARG 58 -18.914 5.236 1.275 416 HD3 ARG 58 HD3 ARG 58 -17.898 4.046 0.461 417 HE ARG 58 HE ARG 58 -16.660 4.846 2.857 418 HH11 ARG 58 HH11 ARG 58 -19.533 3.150 1.850 419 HH12 ARG 58 HH12 ARG 58 -19.409 1.927 3.081 420 HH21 ARG 58 HH21 ARG 58 -16.527 3.284 4.547 421 HH22 ARG 58 HH22 ARG 58 -17.717 2.024 4.627 422 H LEU 59 H LEU 59 -13.138 8.163 1.607 423 HA LEU 59 HA LEU 59 -10.709 6.647 1.213 424 HB2 LEU 59 HB2 LEU 59 -10.662 9.109 1.348 425 HB3 LEU 59 HB3 LEU 59 -11.233 9.022 3.005 426 HG LEU 59 HG LEU 59 -9.173 7.867 3.669 427 HD11 LEU 59 HD11 LEU 59 -8.702 6.725 1.562 428 HD12 LEU 59 HD12 LEU 59 -8.326 8.273 0.804 429 HD13 LEU 59 HD13 LEU 59 -7.311 7.661 2.111 430 HD21 LEU 59 HD21 LEU 59 -7.635 9.735 3.395 431 HD22 LEU 59 HD22 LEU 59 -8.659 10.401 2.122 432 HD23 LEU 59 HD23 LEU 59 -9.260 10.303 3.777 433 H VAL 60 H VAL 60 -10.108 4.999 2.390 434 HA VAL 60 HA VAL 60 -11.623 4.326 4.795 435 HB VAL 60 HB VAL 60 -9.574 2.709 3.264 436 HG11 VAL 60 HG11 VAL 60 -10.535 0.789 4.445 437 HG12 VAL 60 HG12 VAL 60 -9.800 1.952 5.548 438 HG13 VAL 60 HG13 VAL 60 -11.554 1.886 5.378 439 HG21 VAL 60 HG21 VAL 60 -11.497 3.202 1.864 440 HG22 VAL 60 HG22 VAL 60 -11.503 1.502 2.330 441 HG23 VAL 60 HG23 VAL 60 -12.587 2.641 3.129 442 H GLU 61 H GLU 61 -8.192 4.429 3.801 443 HA GLU 61 HA GLU 61 -7.442 5.552 6.329 444 HB2 GLU 61 HB2 GLU 61 -5.708 3.576 6.578 445 HB3 GLU 61 HB3 GLU 61 -7.305 3.518 7.302 446 HG2 GLU 61 HG2 GLU 61 -7.980 2.316 5.111 447 HG3 GLU 61 HG3 GLU 61 -6.245 2.043 4.942 448 H VAL 62 H VAL 62 -5.155 6.010 6.496 449 HA VAL 62 HA VAL 62 -4.091 6.658 3.828 450 HB VAL 62 HB VAL 62 -3.823 8.183 6.428 451 HG11 VAL 62 HG11 VAL 62 -2.609 9.870 5.142 452 HG12 VAL 62 HG12 VAL 62 -1.761 8.323 5.124 453 HG13 VAL 62 HG13 VAL 62 -2.684 8.838 3.711 454 HG21 VAL 62 HG21 VAL 62 -5.076 9.934 5.265 455 HG22 VAL 62 HG22 VAL 62 -5.225 8.890 3.852 456 HG23 VAL 62 HG23 VAL 62 -6.005 8.438 5.368 457 H ASN 63 H ASN 63 -2.358 5.609 3.309 458 HA ASN 63 HA ASN 63 -0.371 4.578 3.309 459 HB2 ASN 63 HB2 ASN 63 -0.054 6.245 5.787 460 HB3 ASN 63 HB3 ASN 63 1.207 5.122 5.282 461 HD21 ASN 63 HD21 ASN 63 1.019 8.132 5.392 462 HD22 ASN 63 HD22 ASN 63 1.522 8.643 3.824 463 H GLY 64 H GLY 64 -1.064 4.443 6.815 464 HA2 GLY 64 HA2 GLY 64 -1.456 1.558 6.546 465 HA3 GLY 64 HA3 GLY 64 -0.100 2.088 7.525 466 H GLU 65 H GLU 65 -2.539 4.349 7.848 467 HA GLU 65 HA GLU 65 -3.533 2.980 10.256 468 HB2 GLU 65 HB2 GLU 65 -3.440 5.121 11.449 469 HB3 GLU 65 HB3 GLU 65 -1.849 4.637 10.879 470 HG2 GLU 65 HG2 GLU 65 -2.332 6.145 8.865 471 HG3 GLU 65 HG3 GLU 65 -3.625 6.815 9.861 472 H ASN 66 H ASN 66 -5.675 3.219 10.722 473 HA ASN 66 HA ASN 66 -7.316 3.866 8.474 474 HB2 ASN 66 HB2 ASN 66 -7.853 1.961 9.914 475 HB3 ASN 66 HB3 ASN 66 -8.123 3.052 11.272 476 HD21 ASN 66 HD21 ASN 66 -9.277 2.049 8.130 477 HD22 ASN 66 HD22 ASN 66 -10.887 2.679 8.305 478 H VAL 67 H VAL 67 -8.691 5.520 8.135 479 HA VAL 67 HA VAL 67 -8.625 7.711 10.109 480 HB VAL 67 HB VAL 67 -8.435 9.330 8.349 481 HG11 VAL 67 HG11 VAL 67 -6.350 8.382 9.172 482 HG12 VAL 67 HG12 VAL 67 -6.422 7.125 7.937 483 HG13 VAL 67 HG13 VAL 67 -6.216 8.812 7.466 484 HG21 VAL 67 HG21 VAL 67 -9.752 8.228 6.629 485 HG22 VAL 67 HG22 VAL 67 -8.173 8.689 5.990 486 HG23 VAL 67 HG23 VAL 67 -8.494 7.008 6.421 487 H GLU 68 H GLU 68 -10.621 5.535 8.808 488 HA GLU 68 HA GLU 68 -12.648 7.189 7.640 489 HB2 GLU 68 HB2 GLU 68 -13.908 5.176 7.344 490 HB3 GLU 68 HB3 GLU 68 -12.224 4.813 6.977 491 HG2 GLU 68 HG2 GLU 68 -11.936 3.818 9.158 492 HG3 GLU 68 HG3 GLU 68 -13.586 4.241 9.596 493 H LYS 69 H LYS 69 -11.841 7.039 10.782 494 HA LYS 69 HA LYS 69 -14.644 6.929 11.688 495 HB2 LYS 69 HB2 LYS 69 -12.198 6.538 13.413 496 HB3 LYS 69 HB3 LYS 69 -13.874 6.289 13.872 497 HG2 LYS 69 HG2 LYS 69 -12.317 4.654 11.881 498 HG3 LYS 69 HG3 LYS 69 -12.759 4.174 13.517 499 HD2 LYS 69 HD2 LYS 69 -15.154 4.400 12.868 500 HD3 LYS 69 HD3 LYS 69 -14.630 4.696 11.208 501 HE2 LYS 69 HE2 LYS 69 -13.391 2.486 11.365 502 HE3 LYS 69 HE3 LYS 69 -14.284 2.203 12.858 503 HZ1 LYS 69 HZ1 LYS 69 -15.353 2.461 10.107 504 HZ2 LYS 69 HZ2 LYS 69 -15.501 1.154 11.177 505 HZ3 LYS 69 HZ3 LYS 69 -16.352 2.587 11.479 506 H GLU 70 H GLU 70 -12.079 9.063 11.175 507 HA GLU 70 HA GLU 70 -12.896 10.780 13.402 508 HB2 GLU 70 HB2 GLU 70 -10.785 12.072 12.812 509 HB3 GLU 70 HB3 GLU 70 -10.585 10.479 13.526 510 HG2 GLU 70 HG2 GLU 70 -10.281 9.592 11.194 511 HG3 GLU 70 HG3 GLU 70 -10.219 11.271 10.655 512 H THR 71 H THR 71 -12.254 13.269 12.605 513 HA THR 71 HA THR 71 -14.713 13.803 11.265 514 HB THR 71 HB THR 71 -14.331 16.121 11.755 515 HG1 THR 71 HG1 THR 71 -12.197 16.643 12.781 516 HG21 THR 71 HG21 THR 71 -14.961 14.721 13.659 517 HG22 THR 71 HG22 THR 71 -13.258 14.417 14.003 518 HG23 THR 71 HG23 THR 71 -13.912 16.046 14.166 519 H HIS 72 H HIS 72 -14.785 15.663 9.650 520 HA HIS 72 HA HIS 72 -13.517 14.981 7.246 521 HB2 HIS 72 HB2 HIS 72 -15.555 16.205 7.134 522 HB3 HIS 72 HB3 HIS 72 -14.944 17.469 8.192 523 HD1 HIS 72 HD1 HIS 72 -14.591 16.197 4.650 524 HD2 HIS 72 HD2 HIS 72 -13.730 19.574 6.911 525 HE1 HIS 72 HE1 HIS 72 -13.841 17.941 3.002 526 HE2 HIS 72 HE2 HIS 72 -13.370 19.993 4.383 527 H GLN 73 H GLN 73 -12.771 17.447 9.672 528 HA GLN 73 HA GLN 73 -10.654 18.677 8.255 529 HB2 GLN 73 HB2 GLN 73 -11.840 19.726 10.150 530 HB3 GLN 73 HB3 GLN 73 -11.141 18.536 11.238 531 HG2 GLN 73 HG2 GLN 73 -9.802 20.391 11.552 532 HG3 GLN 73 HG3 GLN 73 -8.876 19.418 10.415 533 HE21 GLN 73 HE21 GLN 73 -10.689 20.168 8.188 534 HE22 GLN 73 HE22 GLN 73 -10.251 21.783 7.767 535 H GLN 74 H GLN 74 -10.723 16.088 10.670 536 HA GLN 74 HA GLN 74 -7.957 15.889 11.069 537 HB2 GLN 74 HB2 GLN 74 -10.101 13.779 11.315 538 HB3 GLN 74 HB3 GLN 74 -8.456 13.598 11.909 539 HG2 GLN 74 HG2 GLN 74 -10.472 15.632 12.829 540 HG3 GLN 74 HG3 GLN 74 -9.961 14.189 13.704 541 HE21 GLN 74 HE21 GLN 74 -9.827 17.015 14.430 542 HE22 GLN 74 HE22 GLN 74 -8.160 17.326 14.793 543 H VAL 75 H VAL 75 -10.090 14.136 8.859 544 HA VAL 75 HA VAL 75 -8.154 12.388 7.834 545 HB VAL 75 HB VAL 75 -10.722 13.372 6.586 546 HG11 VAL 75 HG11 VAL 75 -10.576 11.438 5.116 547 HG12 VAL 75 HG12 VAL 75 -9.189 12.500 4.883 548 HG13 VAL 75 HG13 VAL 75 -9.013 11.012 5.810 549 HG21 VAL 75 HG21 VAL 75 -11.005 12.203 8.710 550 HG22 VAL 75 HG22 VAL 75 -11.620 11.238 7.368 551 HG23 VAL 75 HG23 VAL 75 -10.062 10.846 8.096 552 H VAL 76 H VAL 76 -9.280 15.548 6.642 553 HA VAL 76 HA VAL 76 -7.800 15.507 4.237 554 HB VAL 76 HB VAL 76 -8.772 17.885 5.837 555 HG11 VAL 76 HG11 VAL 76 -7.737 17.755 3.006 556 HG12 VAL 76 HG12 VAL 76 -8.479 19.164 3.761 557 HG13 VAL 76 HG13 VAL 76 -6.946 18.543 4.372 558 HG21 VAL 76 HG21 VAL 76 -10.563 17.948 4.149 559 HG22 VAL 76 HG22 VAL 76 -9.931 16.460 3.443 560 HG23 VAL 76 HG23 VAL 76 -10.579 16.455 5.084 561 H SER 77 H SER 77 -7.035 16.613 7.483 562 HA SER 77 HA SER 77 -4.648 17.959 6.899 563 HB2 SER 77 HB2 SER 77 -5.931 18.053 9.066 564 HB3 SER 77 HB3 SER 77 -5.274 16.463 9.450 565 HG SER 77 HG SER 77 -3.466 18.449 8.685 566 H ARG 78 H ARG 78 -5.353 14.562 7.458 567 HA ARG 78 HA ARG 78 -2.666 13.709 7.750 568 HB2 ARG 78 HB2 ARG 78 -5.091 12.160 6.841 569 HB3 ARG 78 HB3 ARG 78 -3.541 11.446 7.260 570 HG2 ARG 78 HG2 ARG 78 -3.832 12.496 9.545 571 HG3 ARG 78 HG3 ARG 78 -5.504 12.819 9.065 572 HD2 ARG 78 HD2 ARG 78 -5.801 10.439 8.574 573 HD3 ARG 78 HD3 ARG 78 -4.150 10.131 9.097 574 HE ARG 78 HE ARG 78 -6.370 10.981 10.849 575 HH11 ARG 78 HH11 ARG 78 -3.178 9.640 10.410 576 HH12 ARG 78 HH12 ARG 78 -3.136 8.853 11.954 577 HH21 ARG 78 HH21 ARG 78 -6.340 9.960 12.895 578 HH22 ARG 78 HH22 ARG 78 -4.935 9.044 13.381 579 H ILE 79 H ILE 79 -4.829 13.863 4.939 580 HA ILE 79 HA ILE 79 -3.035 12.640 3.121 581 HB ILE 79 HB ILE 79 -5.189 14.660 2.448 582 HG12 ILE 79 HG12 ILE 79 -5.466 11.648 2.474 583 HG13 ILE 79 HG13 ILE 79 -5.955 12.663 3.832 584 HG21 ILE 79 HG21 ILE 79 -3.945 12.463 0.792 585 HG22 ILE 79 HG22 ILE 79 -5.224 13.561 0.274 586 HG23 ILE 79 HG23 ILE 79 -3.616 14.188 0.628 587 HD11 ILE 79 HD11 ILE 79 -7.550 13.814 2.399 588 HD12 ILE 79 HD12 ILE 79 -7.042 12.825 1.031 589 HD13 ILE 79 HD13 ILE 79 -7.841 12.075 2.412 590 H ARG 80 H ARG 80 -3.575 15.968 4.107 591 HA ARG 80 HA ARG 80 -1.717 17.128 2.285 592 HB2 ARG 80 HB2 ARG 80 -3.013 18.142 4.805 593 HB3 ARG 80 HB3 ARG 80 -1.892 19.109 3.858 594 HG2 ARG 80 HG2 ARG 80 -3.375 18.887 1.909 595 HG3 ARG 80 HG3 ARG 80 -4.518 17.982 2.907 596 HD2 ARG 80 HD2 ARG 80 -4.855 19.879 4.336 597 HD3 ARG 80 HD3 ARG 80 -3.573 20.775 3.523 598 HE ARG 80 HE ARG 80 -5.601 20.014 1.686 599 HH11 ARG 80 HH11 ARG 80 -4.830 22.333 4.193 600 HH12 ARG 80 HH12 ARG 80 -5.924 23.544 3.582 601 HH21 ARG 80 HH21 ARG 80 -7.044 21.607 0.883 602 HH22 ARG 80 HH22 ARG 80 -7.176 23.130 1.714 603 H ALA 81 H ALA 81 -1.418 15.579 5.355 604 HA ALA 81 HA ALA 81 0.990 16.805 6.224 605 HB1 ALA 81 HB1 ALA 81 -0.162 14.125 6.981 606 HB2 ALA 81 HB2 ALA 81 1.107 14.994 7.845 607 HB3 ALA 81 HB3 ALA 81 -0.523 15.666 7.764 608 H ALA 82 H ALA 82 0.385 14.613 3.752 609 HA ALA 82 HA ALA 82 2.751 13.067 3.817 610 HB1 ALA 82 HB1 ALA 82 2.247 12.562 1.481 611 HB2 ALA 82 HB2 ALA 82 0.814 12.423 2.498 612 HB3 ALA 82 HB3 ALA 82 1.029 13.837 1.466 613 H LEU 83 H LEU 83 4.733 13.424 3.040 614 HA LEU 83 HA LEU 83 5.607 16.091 2.773 615 HB2 LEU 83 HB2 LEU 83 7.793 15.258 2.593 616 HB3 LEU 83 HB3 LEU 83 6.946 14.184 3.686 617 HG LEU 83 HG LEU 83 7.468 13.569 0.772 618 HD11 LEU 83 HD11 LEU 83 9.541 13.747 2.049 619 HD12 LEU 83 HD12 LEU 83 8.902 12.618 3.243 620 HD13 LEU 83 HD13 LEU 83 9.205 12.075 1.593 621 HD21 LEU 83 HD21 LEU 83 5.529 12.414 1.732 622 HD22 LEU 83 HD22 LEU 83 6.853 11.298 1.389 623 HD23 LEU 83 HD23 LEU 83 6.541 11.817 3.046 624 H ASN 84 H ASN 84 4.612 13.736 0.459 625 HA ASN 84 HA ASN 84 4.455 15.635 -1.623 626 HB2 ASN 84 HB2 ASN 84 6.880 15.341 -1.774 627 HB3 ASN 84 HB3 ASN 84 6.679 13.597 -1.902 628 HD21 ASN 84 HD21 ASN 84 6.208 12.695 -3.852 629 HD22 ASN 84 HD22 ASN 84 6.036 13.605 -5.320 630 H ALA 85 H ALA 85 4.901 12.166 -0.992 631 HA ALA 85 HA ALA 85 2.536 11.671 -2.674 632 HB1 ALA 85 HB1 ALA 85 4.569 10.713 -3.637 633 HB2 ALA 85 HB2 ALA 85 4.847 9.804 -2.153 634 HB3 ALA 85 HB3 ALA 85 3.434 9.455 -3.147 635 H VAL 86 H VAL 86 0.876 10.583 -1.820 636 HA VAL 86 HA VAL 86 1.192 9.414 0.872 637 HB VAL 86 HB VAL 86 0.090 11.566 1.114 638 HG11 VAL 86 HG11 VAL 86 -2.065 12.059 0.078 639 HG12 VAL 86 HG12 VAL 86 -0.800 11.833 -1.130 640 HG13 VAL 86 HG13 VAL 86 -1.971 10.550 -0.829 641 HG21 VAL 86 HG21 VAL 86 -1.830 9.269 1.424 642 HG22 VAL 86 HG22 VAL 86 -0.624 9.798 2.598 643 HG23 VAL 86 HG23 VAL 86 -1.989 10.842 2.204 644 H ARG 87 H ARG 87 0.401 7.386 1.054 645 HA ARG 87 HA ARG 87 -1.037 6.253 -1.222 646 HB2 ARG 87 HB2 ARG 87 -0.145 4.867 1.314 647 HB3 ARG 87 HB3 ARG 87 -0.635 4.107 -0.193 648 HG2 ARG 87 HG2 ARG 87 1.330 4.946 -1.309 649 HG3 ARG 87 HG3 ARG 87 1.797 5.848 0.133 650 HD2 ARG 87 HD2 ARG 87 1.927 3.670 1.353 651 HD3 ARG 87 HD3 ARG 87 1.670 2.856 -0.190 652 HE ARG 87 HE ARG 87 3.799 4.644 -0.496 653 HH11 ARG 87 HH11 ARG 87 3.067 1.685 1.261 654 HH12 ARG 87 HH12 ARG 87 4.724 1.161 1.301 655 HH21 ARG 87 HH21 ARG 87 5.978 3.950 -0.404 656 HH22 ARG 87 HH22 ARG 87 6.364 2.438 0.360 657 H LEU 88 H LEU 88 -3.186 6.573 -1.195 658 HA LEU 88 HA LEU 88 -4.501 6.343 1.418 659 HB2 LEU 88 HB2 LEU 88 -6.342 7.754 0.242 660 HB3 LEU 88 HB3 LEU 88 -4.946 8.525 0.963 661 HG LEU 88 HG LEU 88 -3.992 8.376 -1.487 662 HD11 LEU 88 HD11 LEU 88 -6.966 8.295 -1.925 663 HD12 LEU 88 HD12 LEU 88 -5.762 8.668 -3.157 664 HD13 LEU 88 HD13 LEU 88 -5.802 7.067 -2.416 665 HD21 LEU 88 HD21 LEU 88 -4.380 10.441 -0.269 666 HD22 LEU 88 HD22 LEU 88 -4.929 10.591 -1.938 667 HD23 LEU 88 HD23 LEU 88 -6.103 10.356 -0.644 668 H LEU 89 H LEU 89 -5.932 4.834 1.704 669 HA LEU 89 HA LEU 89 -6.555 3.077 -0.529 670 HB2 LEU 89 HB2 LEU 89 -5.820 2.184 1.682 671 HB3 LEU 89 HB3 LEU 89 -7.294 2.822 2.386 672 HG LEU 89 HG LEU 89 -8.538 1.366 0.688 673 HD11 LEU 89 HD11 LEU 89 -6.678 0.878 -0.780 674 HD12 LEU 89 HD12 LEU 89 -5.814 0.088 0.538 675 HD13 LEU 89 HD13 LEU 89 -7.310 -0.612 -0.079 676 HD21 LEU 89 HD21 LEU 89 -6.925 0.072 2.875 677 HD22 LEU 89 HD22 LEU 89 -8.472 0.900 3.064 678 HD23 LEU 89 HD23 LEU 89 -8.377 -0.593 2.128 679 H VAL 90 H VAL 90 -8.434 3.070 -1.555 680 HA VAL 90 HA VAL 90 -10.703 4.507 -0.366 681 HB VAL 90 HB VAL 90 -11.185 5.469 -2.645 682 HG11 VAL 90 HG11 VAL 90 -9.585 7.322 -2.418 683 HG12 VAL 90 HG12 VAL 90 -10.287 6.856 -0.868 684 HG13 VAL 90 HG13 VAL 90 -8.647 6.354 -1.282 685 HG21 VAL 90 HG21 VAL 90 -9.283 5.703 -4.204 686 HG22 VAL 90 HG22 VAL 90 -8.346 4.607 -3.188 687 HG23 VAL 90 HG23 VAL 90 -9.795 4.027 -4.004 688 H VAL 91 H VAL 91 -12.741 3.888 -1.125 689 HA VAL 91 HA VAL 91 -12.945 1.685 -3.019 690 HB VAL 91 HB VAL 91 -14.382 0.330 -1.597 691 HG11 VAL 91 HG11 VAL 91 -12.046 -0.247 -1.576 692 HG12 VAL 91 HG12 VAL 91 -11.749 0.896 -0.265 693 HG13 VAL 91 HG13 VAL 91 -12.752 -0.529 0.016 694 HG21 VAL 91 HG21 VAL 91 -14.545 0.790 0.843 695 HG22 VAL 91 HG22 VAL 91 -13.828 2.375 0.538 696 HG23 VAL 91 HG23 VAL 91 -15.386 1.957 -0.182 697 H ASP 92 H ASP 92 -14.873 1.687 -4.114 698 HA ASP 92 HA ASP 92 -16.557 3.963 -3.999 699 HB2 ASP 92 HB2 ASP 92 -16.286 2.710 -6.068 700 HB3 ASP 92 HB3 ASP 92 -16.928 1.259 -5.317 701 HA PRO 93 HA PRO 93 -19.418 3.112 -0.682 702 HB2 PRO 93 HB2 PRO 93 -21.478 3.503 -2.820 703 HB3 PRO 93 HB3 PRO 93 -21.425 4.160 -1.179 704 HG2 PRO 93 HG2 PRO 93 -20.742 5.663 -3.273 705 HG3 PRO 93 HG3 PRO 93 -19.870 5.780 -1.734 706 HD2 PRO 93 HD2 PRO 93 -19.012 4.574 -4.299 707 HD3 PRO 93 HD3 PRO 93 -18.034 5.279 -2.997 708 H GLU 94 H GLU 94 -20.069 1.627 -3.856 709 HA GLU 94 HA GLU 94 -21.733 -0.451 -2.780 710 HB2 GLU 94 HB2 GLU 94 -20.333 -0.272 -5.455 711 HB3 GLU 94 HB3 GLU 94 -21.590 -1.425 -5.035 712 HG2 GLU 94 HG2 GLU 94 -21.941 1.560 -5.090 713 HG3 GLU 94 HG3 GLU 94 -22.399 0.462 -6.390 714 H THR 95 H THR 95 -18.331 -0.051 -3.427 715 HA THR 95 HA THR 95 -17.609 -2.788 -3.464 716 HB THR 95 HB THR 95 -15.918 -0.399 -2.687 717 HG1 THR 95 HG1 THR 95 -15.964 -1.636 -5.233 718 HG21 THR 95 HG21 THR 95 -14.027 -1.795 -3.374 719 HG22 THR 95 HG22 THR 95 -14.919 -2.540 -2.048 720 HG23 THR 95 HG23 THR 95 -15.130 -3.134 -3.695 721 H ASP 96 H ASP 96 -17.460 -0.299 -0.932 722 HA ASP 96 HA ASP 96 -16.528 -1.940 1.141 723 HB2 ASP 96 HB2 ASP 96 -16.405 0.365 1.559 724 HB3 ASP 96 HB3 ASP 96 -18.075 0.641 1.077 725 H GLU 97 H GLU 97 -19.778 -1.258 -0.000 726 HA GLU 97 HA GLU 97 -21.218 -2.394 2.115 727 HB2 GLU 97 HB2 GLU 97 -22.193 -0.960 0.343 728 HB3 GLU 97 HB3 GLU 97 -21.994 -2.276 -0.805 729 HG2 GLU 97 HG2 GLU 97 -23.598 -3.614 0.324 730 HG3 GLU 97 HG3 GLU 97 -23.650 -2.502 1.693 731 H GLN 98 H GLN 98 -19.955 -3.806 -0.874 732 HA GLN 98 HA GLN 98 -20.890 -6.439 -0.309 733 HB2 GLN 98 HB2 GLN 98 -20.354 -5.693 -2.588 734 HB3 GLN 98 HB3 GLN 98 -18.667 -5.509 -2.133 735 HG2 GLN 98 HG2 GLN 98 -18.460 -7.877 -1.765 736 HG3 GLN 98 HG3 GLN 98 -20.180 -8.105 -2.082 737 HE21 GLN 98 HE21 GLN 98 -17.088 -7.339 -3.483 738 HE22 GLN 98 HE22 GLN 98 -17.541 -7.647 -5.123 739 H LEU 99 H LEU 99 -17.895 -4.678 0.297 740 HA LEU 99 HA LEU 99 -16.323 -6.875 1.083 741 HB2 LEU 99 HB2 LEU 99 -16.071 -3.986 1.879 742 HB3 LEU 99 HB3 LEU 99 -14.858 -5.218 2.171 743 HG LEU 99 HG LEU 99 -15.568 -3.810 -0.334 744 HD11 LEU 99 HD11 LEU 99 -13.159 -3.957 -0.664 745 HD12 LEU 99 HD12 LEU 99 -13.562 -3.269 0.909 746 HD13 LEU 99 HD13 LEU 99 -13.025 -4.946 0.790 747 HD21 LEU 99 HD21 LEU 99 -16.135 -6.086 -0.945 748 HD22 LEU 99 HD22 LEU 99 -14.626 -5.600 -1.721 749 HD23 LEU 99 HD23 LEU 99 -14.590 -6.664 -0.314 750 H GLN 100 H GLN 100 -18.563 -4.851 2.870 751 HA GLN 100 HA GLN 100 -17.911 -5.633 5.480 752 HB2 GLN 100 HB2 GLN 100 -20.649 -5.002 4.360 753 HB3 GLN 100 HB3 GLN 100 -20.219 -5.020 6.064 754 HG2 GLN 100 HG2 GLN 100 -18.721 -3.160 5.747 755 HG3 GLN 100 HG3 GLN 100 -19.019 -3.182 4.009 756 HE21 GLN 100 HE21 GLN 100 -19.423 -1.025 5.873 757 HE22 GLN 100 HE22 GLN 100 -21.098 -0.608 5.794 758 H LYS 101 H LYS 101 -19.838 -7.201 3.013 759 HA LYS 101 HA LYS 101 -20.906 -9.256 4.662 760 HB2 LYS 101 HB2 LYS 101 -20.494 -9.187 1.665 761 HB3 LYS 101 HB3 LYS 101 -21.496 -10.344 2.531 762 HG2 LYS 101 HG2 LYS 101 -21.956 -7.367 2.504 763 HG3 LYS 101 HG3 LYS 101 -22.783 -8.528 1.463 764 HD2 LYS 101 HD2 LYS 101 -23.664 -9.665 3.451 765 HD3 LYS 101 HD3 LYS 101 -22.856 -8.481 4.478 766 HE2 LYS 101 HE2 LYS 101 -25.270 -8.017 4.133 767 HE3 LYS 101 HE3 LYS 101 -24.216 -6.706 3.603 768 HZ1 LYS 101 HZ1 LYS 101 -24.557 -7.246 1.369 769 HZ2 LYS 101 HZ2 LYS 101 -25.207 -8.771 1.727 770 HZ3 LYS 101 HZ3 LYS 101 -26.096 -7.364 2.064 771 H LEU 102 H LEU 102 -17.882 -8.745 3.114 772 HA LEU 102 HA LEU 102 -17.101 -11.543 3.256 773 HB2 LEU 102 HB2 LEU 102 -15.328 -9.204 2.568 774 HB3 LEU 102 HB3 LEU 102 -15.089 -10.893 2.163 775 HG LEU 102 HG LEU 102 -17.194 -9.068 1.000 776 HD11 LEU 102 HD11 LEU 102 -14.744 -10.301 -0.238 777 HD12 LEU 102 HD12 LEU 102 -15.947 -9.315 -1.070 778 HD13 LEU 102 HD13 LEU 102 -14.944 -8.604 0.194 779 HD21 LEU 102 HD21 LEU 102 -18.055 -11.326 1.174 780 HD22 LEU 102 HD22 LEU 102 -17.694 -10.940 -0.510 781 HD23 LEU 102 HD23 LEU 102 -16.596 -11.965 0.416 782 H GLY 103 H GLY 103 -15.457 -8.575 4.317 783 HA2 GLY 103 HA2 GLY 103 -14.908 -7.884 6.450 784 HA3 GLY 103 HA3 GLY 103 -15.628 -9.348 7.083 785 H VAL 104 H VAL 104 -13.954 -11.140 5.496 786 HA VAL 104 HA VAL 104 -11.989 -11.393 7.532 787 HB VAL 104 HB VAL 104 -13.055 -13.364 6.726 788 HG11 VAL 104 HG11 VAL 104 -11.869 -12.773 4.021 789 HG12 VAL 104 HG12 VAL 104 -12.760 -14.228 4.462 790 HG13 VAL 104 HG13 VAL 104 -13.575 -12.665 4.459 791 HG21 VAL 104 HG21 VAL 104 -10.785 -13.664 7.510 792 HG22 VAL 104 HG22 VAL 104 -11.125 -14.785 6.192 793 HG23 VAL 104 HG23 VAL 104 -10.160 -13.339 5.893 794 H GLN 105 H GLN 105 -10.846 -9.410 7.177 795 HA GLN 105 HA GLN 105 -8.890 -8.373 6.780 796 HB2 GLN 105 HB2 GLN 105 -8.085 -11.176 6.037 797 HB3 GLN 105 HB3 GLN 105 -6.944 -9.842 6.167 798 HG2 GLN 105 HG2 GLN 105 -7.563 -9.523 8.497 799 HG3 GLN 105 HG3 GLN 105 -8.739 -10.829 8.375 800 HE21 GLN 105 HE21 GLN 105 -7.748 -11.969 10.015 801 HE22 GLN 105 HE22 GLN 105 -6.231 -12.785 9.791 802 H VAL 106 H VAL 106 -10.849 -8.702 4.505 803 HA VAL 106 HA VAL 106 -9.192 -8.307 2.178 804 HB VAL 106 HB VAL 106 -11.534 -9.223 2.084 805 HG11 VAL 106 HG11 VAL 106 -13.412 -7.648 2.135 806 HG12 VAL 106 HG12 VAL 106 -12.596 -7.762 3.694 807 HG13 VAL 106 HG13 VAL 106 -12.314 -6.368 2.651 808 HG21 VAL 106 HG21 VAL 106 -10.974 -6.767 0.425 809 HG22 VAL 106 HG22 VAL 106 -10.468 -8.419 0.069 810 HG23 VAL 106 HG23 VAL 106 -12.181 -7.997 0.046 811 H ARG 107 H ARG 107 -9.607 -6.601 4.858 812 HA ARG 107 HA ARG 107 -10.405 -4.018 4.083 813 HB2 ARG 107 HB2 ARG 107 -8.862 -5.111 6.422 814 HB3 ARG 107 HB3 ARG 107 -9.203 -3.396 6.263 815 HG2 ARG 107 HG2 ARG 107 -11.383 -5.449 6.178 816 HG3 ARG 107 HG3 ARG 107 -10.772 -4.787 7.698 817 HD2 ARG 107 HD2 ARG 107 -12.001 -3.257 5.410 818 HD3 ARG 107 HD3 ARG 107 -12.692 -3.508 7.015 819 HE ARG 107 HE ARG 107 -10.152 -2.269 7.221 820 HH11 ARG 107 HH11 ARG 107 -13.462 -1.543 6.303 821 HH12 ARG 107 HH12 ARG 107 -13.322 0.139 6.711 822 HH21 ARG 107 HH21 ARG 107 -9.983 -0.074 7.722 823 HH22 ARG 107 HH22 ARG 107 -11.363 0.970 7.489 824 H GLU 108 H GLU 108 -7.158 -5.401 4.568 825 HA GLU 108 HA GLU 108 -6.009 -3.446 2.772 826 HB2 GLU 108 HB2 GLU 108 -6.129 -2.226 4.922 827 HB3 GLU 108 HB3 GLU 108 -5.200 -3.499 5.692 828 HG2 GLU 108 HG2 GLU 108 -4.045 -2.058 3.353 829 HG3 GLU 108 HG3 GLU 108 -4.070 -1.277 4.931 830 H GLU 109 H GLU 109 -5.675 -6.159 4.943 831 HA GLU 109 HA GLU 109 -3.083 -6.987 4.405 832 HB2 GLU 109 HB2 GLU 109 -4.667 -7.939 6.111 833 HB3 GLU 109 HB3 GLU 109 -5.471 -8.796 4.805 834 HG2 GLU 109 HG2 GLU 109 -3.998 -10.307 5.893 835 HG3 GLU 109 HG3 GLU 109 -3.322 -9.935 4.307 836 H LEU 110 H LEU 110 -5.997 -7.320 2.521 837 HA LEU 110 HA LEU 110 -5.227 -9.278 0.691 838 HB2 LEU 110 HB2 LEU 110 -7.525 -8.354 1.016 839 HB3 LEU 110 HB3 LEU 110 -7.018 -6.894 0.197 840 HG LEU 110 HG LEU 110 -8.383 -8.602 -1.133 841 HD11 LEU 110 HD11 LEU 110 -7.154 -8.168 -3.197 842 HD12 LEU 110 HD12 LEU 110 -7.251 -6.725 -2.186 843 HD13 LEU 110 HD13 LEU 110 -5.754 -7.655 -2.257 844 HD21 LEU 110 HD21 LEU 110 -7.095 -10.403 -2.191 845 HD22 LEU 110 HD22 LEU 110 -5.715 -10.004 -1.168 846 HD23 LEU 110 HD23 LEU 110 -7.205 -10.606 -0.443 847 H LEU 111 H LEU 111 -4.521 -5.828 0.783 848 HA LEU 111 HA LEU 111 -3.564 -5.583 -1.867 849 HB2 LEU 111 HB2 LEU 111 -3.133 -3.973 0.636 850 HB3 LEU 111 HB3 LEU 111 -2.283 -3.584 -0.842 851 HG LEU 111 HG LEU 111 -4.185 -2.138 -0.635 852 HD11 LEU 111 HD11 LEU 111 -3.619 -2.896 -2.884 853 HD12 LEU 111 HD12 LEU 111 -4.742 -4.245 -2.711 854 HD13 LEU 111 HD13 LEU 111 -5.347 -2.587 -2.717 855 HD21 LEU 111 HD21 LEU 111 -5.554 -3.473 0.855 856 HD22 LEU 111 HD22 LEU 111 -6.482 -2.992 -0.566 857 HD23 LEU 111 HD23 LEU 111 -5.857 -4.637 -0.435 858 H ARG 112 H ARG 112 -2.163 -6.742 1.075 859 HA ARG 112 HA ARG 112 0.472 -6.921 -0.204 860 HB2 ARG 112 HB2 ARG 112 -0.302 -6.829 2.694 861 HB3 ARG 112 HB3 ARG 112 1.325 -7.196 2.133 862 HG2 ARG 112 HG2 ARG 112 1.462 -5.020 1.061 863 HG3 ARG 112 HG3 ARG 112 -0.186 -4.652 1.581 864 HD2 ARG 112 HD2 ARG 112 2.050 -5.340 3.460 865 HD3 ARG 112 HD3 ARG 112 1.627 -3.687 3.013 866 HE ARG 112 HE ARG 112 -0.509 -3.996 4.089 867 HH11 ARG 112 HH11 ARG 112 1.831 -6.558 4.672 868 HH12 ARG 112 HH12 ARG 112 1.065 -7.081 6.140 869 HH21 ARG 112 HH21 ARG 112 -1.513 -4.697 6.009 870 HH22 ARG 112 HH22 ARG 112 -0.823 -6.030 6.900 871 H ALA 113 H ALA 113 -1.678 -8.746 -0.667 872 HA ALA 113 HA ALA 113 -0.591 -11.188 0.567 873 HB1 ALA 113 HB1 ALA 113 -3.404 -10.621 -0.338 874 HB2 ALA 113 HB2 ALA 113 -2.832 -12.136 0.363 875 HB3 ALA 113 HB3 ALA 113 -2.841 -10.659 1.330 876 H GLN 114 H GLN 114 -0.599 -13.093 -0.771 877 HA GLN 114 HA GLN 114 0.168 -12.553 -3.461 878 HB2 GLN 114 HB2 GLN 114 0.593 -14.891 -3.677 879 HB3 GLN 114 HB3 GLN 114 1.108 -14.416 -2.067 880 HG2 GLN 114 HG2 GLN 114 -1.525 -15.737 -2.677 881 HG3 GLN 114 HG3 GLN 114 -0.070 -16.598 -2.194 882 HE21 GLN 114 HE21 GLN 114 -2.631 -16.489 -0.866 883 HE22 GLN 114 HE22 GLN 114 -2.341 -15.845 0.713 884 H GLU 115 H GLU 115 -0.806 -13.639 -5.347 885 HA GLU 115 HA GLU 115 -3.706 -13.903 -5.183 886 HB2 GLU 115 HB2 GLU 115 -4.150 -12.132 -6.743 887 HB3 GLU 115 HB3 GLU 115 -3.182 -11.464 -5.440 888 HG2 GLU 115 HG2 GLU 115 -2.159 -12.261 -8.162 889 HG3 GLU 115 HG3 GLU 115 -2.496 -10.618 -7.627 890 H ALA 116 H ALA 116 -4.473 -14.017 -7.669 891 HA ALA 116 HA ALA 116 -2.664 -15.908 -9.016 892 HB1 ALA 116 HB1 ALA 116 -4.769 -16.930 -8.267 893 HB2 ALA 116 HB2 ALA 116 -5.672 -15.743 -9.208 894 HB3 ALA 116 HB3 ALA 116 -4.642 -16.916 -10.026 895 HA PRO 117 HA PRO 117 -2.358 -12.685 -12.041 896 HB2 PRO 117 HB2 PRO 117 -0.982 -14.084 -13.919 897 HB3 PRO 117 HB3 PRO 117 -0.239 -13.451 -12.448 898 HG2 PRO 117 HG2 PRO 117 -1.149 -16.225 -13.067 899 HG3 PRO 117 HG3 PRO 117 0.293 -15.686 -12.190 900 HD2 PRO 117 HD2 PRO 117 -1.963 -16.611 -10.962 901 HD3 PRO 117 HD3 PRO 117 -0.848 -15.450 -10.214 902 H GLY 118 H GLY 118 -4.476 -12.399 -12.698 903 HA2 GLY 118 HA2 GLY 118 -5.604 -12.314 -14.886 904 HA3 GLY 118 HA3 GLY 118 -5.279 -14.036 -15.024 905 H GLN 119 H GLN 119 -6.569 -12.076 -12.357 906 HA GLN 119 HA GLN 119 -9.055 -13.640 -12.541 907 HB2 GLN 119 HB2 GLN 119 -7.519 -12.772 -10.099 908 HB3 GLN 119 HB3 GLN 119 -9.217 -13.218 -10.024 909 HG2 GLN 119 HG2 GLN 119 -7.007 -14.999 -11.024 910 HG3 GLN 119 HG3 GLN 119 -7.712 -15.062 -9.409 911 HE21 GLN 119 HE21 GLN 119 -8.261 -15.654 -12.802 912 HE22 GLN 119 HE22 GLN 119 -9.671 -16.639 -12.607 913 H ALA 120 H ALA 120 -8.203 -11.060 -13.679 914 HA ALA 120 HA ALA 120 -10.205 -9.310 -12.416 915 HB1 ALA 120 HB1 ALA 120 -8.969 -7.413 -13.341 916 HB2 ALA 120 HB2 ALA 120 -7.946 -8.388 -12.287 917 HB3 ALA 120 HB3 ALA 120 -7.785 -8.519 -14.039 918 H1 GLN 1 HT1 GLN 1 -17.964 25.696 -3.537 919 H2 GLN 1 HT2 GLN 1 -17.533 26.236 -1.987 920 H3 GLN 1 HT3 GLN 1 -18.478 24.838 -2.165 921 HA GLN 1 HA GLN 1 -16.637 23.735 -3.293 922 HB2 GLN 1 HB2 GLN 1 -15.637 25.936 -4.059 923 HB3 GLN 1 HB3 GLN 1 -15.030 26.143 -2.422 924 HG2 GLN 1 HG2 GLN 1 -13.305 25.285 -3.890 925 HG3 GLN 1 HG3 GLN 1 -13.711 24.108 -2.640 926 HE21 GLN 1 HE21 GLN 1 -14.035 24.925 -6.017 927 HE22 GLN 1 HE22 GLN 1 -14.455 23.331 -6.563 928 H ASP 2 H ASP 2 -15.465 22.328 -2.006 929 HA ASP 2 HA ASP 2 -15.535 22.905 0.882 930 HB2 ASP 2 HB2 ASP 2 -16.679 20.783 -0.265 931 HB3 ASP 2 HB3 ASP 2 -15.048 20.134 -0.136 932 H THR 3 H THR 3 -13.664 21.016 1.720 933 HA THR 3 HA THR 3 -11.266 22.473 1.292 934 HB THR 3 HB THR 3 -11.333 19.682 2.418 935 HG1 THR 3 HG1 THR 3 -12.604 21.969 3.373 936 HG21 THR 3 HG21 THR 3 -9.155 20.742 2.232 937 HG22 THR 3 HG22 THR 3 -9.752 22.171 3.079 938 HG23 THR 3 HG23 THR 3 -9.624 20.630 3.929 939 H ARG 4 H ARG 4 -9.867 22.317 -0.355 940 HA ARG 4 HA ARG 4 -10.118 20.079 -2.208 941 HB2 ARG 4 HB2 ARG 4 -9.964 22.472 -2.997 942 HB3 ARG 4 HB3 ARG 4 -8.295 22.477 -2.441 943 HG2 ARG 4 HG2 ARG 4 -7.818 20.600 -3.981 944 HG3 ARG 4 HG3 ARG 4 -9.472 20.722 -4.585 945 HD2 ARG 4 HD2 ARG 4 -7.327 22.837 -4.746 946 HD3 ARG 4 HD3 ARG 4 -7.959 21.876 -6.080 947 HE ARG 4 HE ARG 4 -9.673 23.746 -4.572 948 HH11 ARG 4 HH11 ARG 4 -8.395 22.534 -7.612 949 HH12 ARG 4 HH12 ARG 4 -9.355 23.614 -8.584 950 HH21 ARG 4 HH21 ARG 4 -10.921 25.169 -5.866 951 HH22 ARG 4 HH22 ARG 4 -10.778 25.101 -7.597 952 H LEU 5 H LEU 5 -8.535 18.607 -2.646 953 HA LEU 5 HA LEU 5 -6.324 18.498 -0.720 954 HB2 LEU 5 HB2 LEU 5 -7.907 16.425 -2.175 955 HB3 LEU 5 HB3 LEU 5 -6.266 16.056 -1.714 956 HG LEU 5 HG LEU 5 -7.737 15.179 -0.041 957 HD11 LEU 5 HD11 LEU 5 -6.946 16.352 1.957 958 HD12 LEU 5 HD12 LEU 5 -5.658 16.109 0.779 959 HD13 LEU 5 HD13 LEU 5 -6.411 17.695 0.948 960 HD21 LEU 5 HD21 LEU 5 -9.273 16.597 1.234 961 HD22 LEU 5 HD22 LEU 5 -8.866 17.964 0.195 962 HD23 LEU 5 HD23 LEU 5 -9.691 16.558 -0.480 Start of MODEL 18 1 H1 GLY 4 HT1 GLY 4 -20.657 -22.105 -0.378 2 H2 GLY 4 HT2 GLY 4 -22.102 -22.774 0.207 3 H3 GLY 4 HT3 GLY 4 -20.764 -22.624 1.235 4 HA2 GLY 4 HA3 GLY 4 -22.393 -20.432 0.081 5 HA3 GLY 4 HA2 GLY 4 -22.315 -20.911 1.772 6 H ILE 5 H ILE 5 -20.952 -19.032 -0.706 7 HA ILE 5 HA ILE 5 -19.417 -17.439 1.019 8 HB ILE 5 HB ILE 5 -18.085 -19.802 0.385 9 HG12 ILE 5 HG12 ILE 5 -17.633 -18.356 2.310 10 HG13 ILE 5 HG13 ILE 5 -16.152 -18.785 1.466 11 HG21 ILE 5 HG21 ILE 5 -16.976 -17.593 -1.328 12 HG22 ILE 5 HG22 ILE 5 -16.145 -19.105 -0.963 13 HG23 ILE 5 HG23 ILE 5 -17.652 -19.126 -1.880 14 HD11 ILE 5 HD11 ILE 5 -16.200 -16.566 0.365 15 HD12 ILE 5 HD12 ILE 5 -17.605 -16.157 1.351 16 HD13 ILE 5 HD13 ILE 5 -16.057 -16.488 2.123 17 H ASP 6 H ASP 6 -18.528 -15.640 -0.103 18 HA ASP 6 HA ASP 6 -19.156 -15.547 -2.981 19 HB2 ASP 6 HB2 ASP 6 -20.308 -13.937 -1.157 20 HB3 ASP 6 HB3 ASP 6 -18.842 -13.009 -1.457 21 HA PRO 7 HA PRO 7 -14.804 -15.559 -3.568 22 HB2 PRO 7 HB2 PRO 7 -15.467 -13.971 -6.000 23 HB3 PRO 7 HB3 PRO 7 -14.543 -15.472 -5.849 24 HG2 PRO 7 HG2 PRO 7 -17.003 -15.540 -6.795 25 HG3 PRO 7 HG3 PRO 7 -16.450 -16.776 -5.650 26 HD2 PRO 7 HD2 PRO 7 -18.185 -14.381 -5.149 27 HD3 PRO 7 HD3 PRO 7 -18.355 -16.039 -4.537 28 H PHE 8 H PHE 8 -12.979 -14.213 -3.825 29 HA PHE 8 HA PHE 8 -13.224 -11.721 -2.433 30 HB2 PHE 8 HB2 PHE 8 -10.855 -13.078 -3.734 31 HB3 PHE 8 HB3 PHE 8 -10.743 -11.564 -2.843 32 HD1 PHE 8 HD2 PHE 8 -11.024 -11.515 -0.434 33 HD2 PHE 8 HD1 PHE 8 -11.189 -15.171 -2.594 34 HE1 PHE 8 HE2 PHE 8 -10.748 -12.764 1.668 35 HE2 PHE 8 HE1 PHE 8 -10.915 -16.431 -0.499 36 HZ PHE 8 HZ PHE 8 -10.693 -15.227 1.636 37 H THR 9 H THR 9 -14.575 -10.546 -3.811 38 HA THR 9 HA THR 9 -13.346 -9.617 -6.323 39 HB THR 9 HB THR 9 -15.469 -10.835 -6.638 40 HG1 THR 9 HG1 THR 9 -16.643 -8.938 -7.632 41 HG21 THR 9 HG21 THR 9 -16.592 -8.698 -4.825 42 HG22 THR 9 HG22 THR 9 -17.578 -9.775 -5.819 43 HG23 THR 9 HG23 THR 9 -16.561 -10.441 -4.539 44 H MET 10 H MET 10 -13.636 -7.386 -6.860 45 HA MET 10 HA MET 10 -13.669 -5.155 -6.489 46 HB2 MET 10 HB2 MET 10 -15.750 -5.939 -4.443 47 HB3 MET 10 HB3 MET 10 -15.428 -4.288 -4.953 48 HG2 MET 10 HG2 MET 10 -16.025 -4.913 -7.259 49 HG3 MET 10 HG3 MET 10 -16.419 -6.533 -6.691 50 HE1 MET 10 HE1 MET 10 -19.932 -4.996 -7.464 51 HE2 MET 10 HE2 MET 10 -18.429 -4.741 -8.350 52 HE3 MET 10 HE3 MET 10 -18.841 -6.351 -7.756 53 H LEU 11 H LEU 11 -11.597 -6.429 -5.352 54 HA LEU 11 HA LEU 11 -11.193 -5.971 -2.603 55 HB2 LEU 11 HB2 LEU 11 -9.061 -6.113 -4.736 56 HB3 LEU 11 HB3 LEU 11 -8.905 -6.526 -3.036 57 HG LEU 11 HG LEU 11 -10.674 -8.037 -4.957 58 HD11 LEU 11 HD11 LEU 11 -8.939 -9.758 -4.948 59 HD12 LEU 11 HD12 LEU 11 -8.357 -8.251 -5.657 60 HD13 LEU 11 HD13 LEU 11 -7.890 -8.692 -4.014 61 HD21 LEU 11 HD21 LEU 11 -10.622 -9.748 -3.192 62 HD22 LEU 11 HD22 LEU 11 -9.694 -8.647 -2.172 63 HD23 LEU 11 HD23 LEU 11 -11.344 -8.236 -2.639 64 HA PRO 12 HA PRO 12 -10.713 -1.629 -2.350 65 HB2 PRO 12 HB2 PRO 12 -8.626 -2.124 -0.313 66 HB3 PRO 12 HB3 PRO 12 -10.149 -1.241 -0.174 67 HG2 PRO 12 HG2 PRO 12 -9.851 -3.644 0.942 68 HG3 PRO 12 HG3 PRO 12 -11.385 -3.165 0.191 69 HD2 PRO 12 HD2 PRO 12 -9.230 -4.952 -0.875 70 HD3 PRO 12 HD3 PRO 12 -10.996 -5.123 -0.983 71 H ARG 13 H ARG 13 -9.445 0.029 -3.036 72 HA ARG 13 HA ARG 13 -6.856 -0.754 -4.210 73 HB2 ARG 13 HB2 ARG 13 -7.316 1.071 -5.870 74 HB3 ARG 13 HB3 ARG 13 -8.460 -0.264 -5.941 75 HG2 ARG 13 HG2 ARG 13 -10.028 1.085 -4.562 76 HG3 ARG 13 HG3 ARG 13 -8.897 2.431 -4.674 77 HD2 ARG 13 HD2 ARG 13 -9.151 2.499 -7.076 78 HD3 ARG 13 HD3 ARG 13 -10.181 1.066 -7.036 79 HE ARG 13 HE ARG 13 -10.957 3.593 -5.718 80 HH11 ARG 13 HH11 ARG 13 -11.658 0.946 -7.901 81 HH12 ARG 13 HH12 ARG 13 -13.338 1.344 -8.054 82 HH21 ARG 13 HH21 ARG 13 -13.157 4.159 -5.940 83 HH22 ARG 13 HH22 ARG 13 -14.202 3.174 -6.930 84 H LEU 14 H LEU 14 -5.095 0.272 -3.415 85 HA LEU 14 HA LEU 14 -5.519 2.758 -1.962 86 HB2 LEU 14 HB2 LEU 14 -3.387 2.533 -0.996 87 HB3 LEU 14 HB3 LEU 14 -4.115 0.950 -0.943 88 HG LEU 14 HG LEU 14 -1.890 0.536 -1.431 89 HD11 LEU 14 HD11 LEU 14 -1.763 -0.283 -3.732 90 HD12 LEU 14 HD12 LEU 14 -3.270 -0.730 -2.934 91 HD13 LEU 14 HD13 LEU 14 -3.252 0.585 -4.110 92 HD21 LEU 14 HD21 LEU 14 -1.206 2.830 -1.843 93 HD22 LEU 14 HD22 LEU 14 -0.533 1.737 -3.054 94 HD23 LEU 14 HD23 LEU 14 -1.913 2.761 -3.458 95 H CYS 15 H CYS 15 -4.828 4.690 -2.622 96 HA CYS 15 HA CYS 15 -3.714 4.791 -5.345 97 HB2 CYS 15 HB2 CYS 15 -5.458 6.813 -3.922 98 HB3 CYS 15 HB3 CYS 15 -4.873 6.938 -5.579 99 HG CYS 15 HG CYS 15 -6.402 4.967 -6.626 100 H CYS 16 H CYS 16 -1.611 5.279 -5.274 101 HA CYS 16 HA CYS 16 -0.534 6.929 -3.173 102 HB2 CYS 16 HB2 CYS 16 1.588 6.734 -4.479 103 HB3 CYS 16 HB3 CYS 16 0.878 5.182 -4.057 104 HG CYS 16 HG CYS 16 0.307 6.583 -7.110 105 H LEU 17 H LEU 17 -1.067 9.001 -3.195 106 HA LEU 17 HA LEU 17 -1.560 10.337 -5.732 107 HB2 LEU 17 HB2 LEU 17 -2.467 10.643 -3.024 108 HB3 LEU 17 HB3 LEU 17 -1.787 12.159 -3.584 109 HG LEU 17 HG LEU 17 -4.133 12.190 -4.015 110 HD11 LEU 17 HD11 LEU 17 -2.676 11.648 -6.591 111 HD12 LEU 17 HD12 LEU 17 -4.182 12.548 -6.405 112 HD13 LEU 17 HD13 LEU 17 -2.689 13.182 -5.717 113 HD21 LEU 17 HD21 LEU 17 -5.236 10.513 -5.424 114 HD22 LEU 17 HD22 LEU 17 -3.735 9.590 -5.489 115 HD23 LEU 17 HD23 LEU 17 -4.574 9.804 -3.952 116 H GLU 18 H GLU 18 0.017 11.297 -6.746 117 HA GLU 18 HA GLU 18 2.396 12.240 -5.380 118 HB2 GLU 18 HB2 GLU 18 1.561 12.441 -8.287 119 HB3 GLU 18 HB3 GLU 18 3.136 12.886 -7.652 120 HG2 GLU 18 HG2 GLU 18 2.001 10.111 -7.486 121 HG3 GLU 18 HG3 GLU 18 3.036 10.673 -8.797 122 H LYS 19 H LYS 19 2.654 14.321 -4.700 123 HA LYS 19 HA LYS 19 0.446 16.112 -4.959 124 HB2 LYS 19 HB2 LYS 19 1.782 16.147 -2.919 125 HB3 LYS 19 HB3 LYS 19 3.208 16.622 -3.838 126 HG2 LYS 19 HG2 LYS 19 2.102 18.705 -4.480 127 HG3 LYS 19 HG3 LYS 19 0.677 18.231 -3.558 128 HD2 LYS 19 HD2 LYS 19 3.387 18.487 -2.305 129 HD3 LYS 19 HD3 LYS 19 2.288 19.856 -2.476 130 HE2 LYS 19 HE2 LYS 19 0.577 18.618 -1.225 131 HE3 LYS 19 HE3 LYS 19 1.712 17.283 -1.012 132 HZ1 LYS 19 HZ1 LYS 19 1.993 20.044 0.056 133 HZ2 LYS 19 HZ2 LYS 19 1.714 18.629 0.950 134 HZ3 LYS 19 HZ3 LYS 19 3.197 18.853 0.165 135 H GLY 20 H GLY 20 0.335 18.044 -5.949 136 HA2 GLY 20 HA2 GLY 20 2.135 18.372 -8.266 137 HA3 GLY 20 HA3 GLY 20 0.460 18.916 -8.205 138 HA PRO 21 HA PRO 21 3.005 22.638 -7.503 139 HB2 PRO 21 HB2 PRO 21 1.062 24.388 -8.315 140 HB3 PRO 21 HB3 PRO 21 2.204 23.596 -9.403 141 HG2 PRO 21 HG2 PRO 21 -0.633 22.891 -8.793 142 HG3 PRO 21 HG3 PRO 21 0.222 22.866 -10.347 143 HD2 PRO 21 HD2 PRO 21 -0.253 20.621 -8.919 144 HD3 PRO 21 HD3 PRO 21 1.197 20.824 -9.921 145 H ASN 22 H ASN 22 -0.302 22.011 -6.385 146 HA ASN 22 HA ASN 22 0.321 23.280 -3.860 147 HB2 ASN 22 HB2 ASN 22 -1.596 24.836 -3.903 148 HB3 ASN 22 HB3 ASN 22 -0.406 25.224 -5.141 149 HD21 ASN 22 HD21 ASN 22 -0.950 25.079 -7.265 150 HD22 ASN 22 HD22 ASN 22 -2.563 24.754 -7.819 151 H GLY 23 H GLY 23 -0.460 20.571 -4.713 152 HA2 GLY 23 HA2 GLY 23 -1.984 19.623 -2.760 153 HA3 GLY 23 HA3 GLY 23 -3.218 20.340 -3.782 154 H TYR 24 H TYR 24 -4.227 18.412 -4.264 155 HA TYR 24 HA TYR 24 -2.632 16.520 -5.870 156 HB2 TYR 24 HB2 TYR 24 -4.809 15.886 -3.872 157 HB3 TYR 24 HB3 TYR 24 -4.077 14.708 -4.960 158 HD1 TYR 24 HD1 TYR 24 -1.515 14.469 -4.832 159 HD2 TYR 24 HD2 TYR 24 -3.859 16.262 -1.772 160 HE1 TYR 24 HE1 TYR 24 0.309 14.099 -3.239 161 HE2 TYR 24 HE2 TYR 24 -2.038 15.890 -0.153 162 HH TYR 24 HH TYR 24 1.118 14.765 -1.177 163 H GLY 25 H GLY 25 -5.791 18.016 -5.341 164 HA2 GLY 25 HA2 GLY 25 -6.826 18.986 -7.289 165 HA3 GLY 25 HA3 GLY 25 -6.213 17.645 -8.234 166 H PHE 26 H PHE 26 -7.775 16.990 -5.148 167 HA PHE 26 HA PHE 26 -10.268 16.505 -6.615 168 HB2 PHE 26 HB2 PHE 26 -10.648 14.408 -5.344 169 HB3 PHE 26 HB3 PHE 26 -9.287 14.320 -6.453 170 HD1 PHE 26 HD1 PHE 26 -6.957 14.478 -5.519 171 HD2 PHE 26 HD2 PHE 26 -10.391 13.980 -3.057 172 HE1 PHE 26 HE1 PHE 26 -5.528 13.637 -3.704 173 HE2 PHE 26 HE2 PHE 26 -8.965 13.147 -1.235 174 HZ PHE 26 HZ PHE 26 -6.533 12.966 -1.560 175 H HIS 27 H HIS 27 -12.165 16.429 -5.349 176 HA HIS 27 HA HIS 27 -11.959 18.315 -3.101 177 HB2 HIS 27 HB2 HIS 27 -14.270 17.668 -4.953 178 HB3 HIS 27 HB3 HIS 27 -14.354 18.802 -3.611 179 HD1 HIS 27 HD1 HIS 27 -13.837 21.151 -4.140 180 HD2 HIS 27 HD2 HIS 27 -12.314 18.540 -6.998 181 HE1 HIS 27 HE1 HIS 27 -12.907 22.617 -5.976 182 HE2 HIS 27 HE2 HIS 27 -11.843 21.010 -7.610 183 H LEU 28 H LEU 28 -12.410 17.593 -1.101 184 HA LEU 28 HA LEU 28 -13.885 15.054 -0.889 185 HB2 LEU 28 HB2 LEU 28 -11.472 15.147 -0.119 186 HB3 LEU 28 HB3 LEU 28 -12.004 16.220 1.160 187 HG LEU 28 HG LEU 28 -13.316 13.544 0.887 188 HD11 LEU 28 HD11 LEU 28 -10.923 13.062 0.760 189 HD12 LEU 28 HD12 LEU 28 -10.647 14.027 2.210 190 HD13 LEU 28 HD13 LEU 28 -11.598 12.543 2.304 191 HD21 LEU 28 HD21 LEU 28 -13.449 13.756 3.322 192 HD22 LEU 28 HD22 LEU 28 -12.595 15.296 3.233 193 HD23 LEU 28 HD23 LEU 28 -14.194 15.129 2.504 194 H HIS 29 H HIS 29 -15.804 15.093 0.005 195 HA HIS 29 HA HIS 29 -16.471 17.183 1.960 196 HB2 HIS 29 HB2 HIS 29 -17.507 17.993 -0.038 197 HB3 HIS 29 HB3 HIS 29 -18.078 16.390 -0.478 198 HD1 HIS 29 HD1 HIS 29 -19.052 19.443 1.334 199 HD2 HIS 29 HD2 HIS 29 -20.332 15.489 1.086 200 HE1 HIS 29 HE1 HIS 29 -21.352 19.407 2.350 201 HE2 HIS 29 HE2 HIS 29 -22.142 17.020 2.134 202 H GLY 30 H GLY 30 -17.537 16.411 3.712 203 HA2 GLY 30 HA2 GLY 30 -18.892 13.832 3.537 204 HA3 GLY 30 HA3 GLY 30 -17.543 13.951 4.662 205 H GLU 31 H GLU 31 -20.670 13.784 4.773 206 HA GLU 31 HA GLU 31 -20.908 15.786 6.907 207 HB2 GLU 31 HB2 GLU 31 -23.342 15.990 6.198 208 HB3 GLU 31 HB3 GLU 31 -22.152 16.732 5.137 209 HG2 GLU 31 HG2 GLU 31 -22.264 14.729 3.685 210 HG3 GLU 31 HG3 GLU 31 -23.547 14.097 4.716 211 H LYS 32 H LYS 32 -21.189 14.787 8.765 212 HA LYS 32 HA LYS 32 -23.357 13.028 9.210 213 HB2 LYS 32 HB2 LYS 32 -21.672 11.446 8.162 214 HB3 LYS 32 HB3 LYS 32 -20.654 11.727 9.570 215 HG2 LYS 32 HG2 LYS 32 -21.830 9.723 9.984 216 HG3 LYS 32 HG3 LYS 32 -22.587 10.965 10.987 217 HD2 LYS 32 HD2 LYS 32 -24.124 11.226 8.837 218 HD3 LYS 32 HD3 LYS 32 -23.633 9.549 8.590 219 HE2 LYS 32 HE2 LYS 32 -25.681 9.544 9.814 220 HE3 LYS 32 HE3 LYS 32 -24.392 9.066 10.918 221 HZ1 LYS 32 HZ1 LYS 32 -24.397 11.200 11.916 222 HZ2 LYS 32 HZ2 LYS 32 -25.408 11.849 10.715 223 HZ3 LYS 32 HZ3 LYS 32 -26.021 10.716 11.822 224 H GLY 33 H GLY 33 -20.115 13.134 10.679 225 HA2 GLY 33 HA2 GLY 33 -20.776 14.937 12.747 226 HA3 GLY 33 HA3 GLY 33 -21.037 13.292 13.317 227 H LYS 34 H LYS 34 -19.195 11.778 13.066 228 HA LYS 34 HA LYS 34 -16.702 13.173 13.702 229 HB2 LYS 34 HB2 LYS 34 -17.515 10.278 14.060 230 HB3 LYS 34 HB3 LYS 34 -15.911 10.900 14.422 231 HG2 LYS 34 HG2 LYS 34 -18.498 11.648 15.766 232 HG3 LYS 34 HG3 LYS 34 -17.146 10.746 16.460 233 HD2 LYS 34 HD2 LYS 34 -15.714 12.726 16.199 234 HD3 LYS 34 HD3 LYS 34 -17.087 13.622 15.547 235 HE2 LYS 34 HE2 LYS 34 -18.285 13.101 17.712 236 HE3 LYS 34 HE3 LYS 34 -16.731 12.537 18.327 237 HZ1 LYS 34 HZ1 LYS 34 -16.989 14.790 18.973 238 HZ2 LYS 34 HZ2 LYS 34 -15.830 14.770 17.731 239 HZ3 LYS 34 HZ3 LYS 34 -17.418 15.268 17.402 240 H LEU 35 H LEU 35 -17.504 10.154 12.015 241 HA LEU 35 HA LEU 35 -15.375 10.679 10.161 242 HB2 LEU 35 HB2 LEU 35 -16.085 8.459 9.171 243 HB3 LEU 35 HB3 LEU 35 -15.451 8.433 10.803 244 HG LEU 35 HG LEU 35 -18.010 8.540 11.451 245 HD11 LEU 35 HD11 LEU 35 -18.079 7.237 8.734 246 HD12 LEU 35 HD12 LEU 35 -19.401 7.283 9.900 247 HD13 LEU 35 HD13 LEU 35 -18.826 8.778 9.161 248 HD21 LEU 35 HD21 LEU 35 -16.426 6.774 12.050 249 HD22 LEU 35 HD22 LEU 35 -18.002 6.115 11.597 250 HD23 LEU 35 HD23 LEU 35 -16.656 6.039 10.460 251 H GLY 36 H GLY 36 -15.561 11.223 8.074 252 HA2 GLY 36 HA2 GLY 36 -17.950 11.313 6.587 253 HA3 GLY 36 HA3 GLY 36 -17.697 12.871 7.364 254 H GLN 37 H GLN 37 -15.987 10.453 5.424 255 HA GLN 37 HA GLN 37 -14.759 12.666 3.945 256 HB2 GLN 37 HB2 GLN 37 -12.743 11.115 3.669 257 HB3 GLN 37 HB3 GLN 37 -12.955 11.880 5.233 258 HG2 GLN 37 HG2 GLN 37 -13.961 9.106 4.690 259 HG3 GLN 37 HG3 GLN 37 -12.295 9.412 5.166 260 HE21 GLN 37 HE21 GLN 37 -12.977 11.609 6.960 261 HE22 GLN 37 HE22 GLN 37 -13.663 10.873 8.361 262 H TYR 38 H TYR 38 -15.451 12.656 1.961 263 HA TYR 38 HA TYR 38 -15.559 10.168 0.444 264 HB2 TYR 38 HB2 TYR 38 -17.860 12.130 0.653 265 HB3 TYR 38 HB3 TYR 38 -17.742 10.888 -0.582 266 HD1 TYR 38 HD2 TYR 38 -17.784 8.471 0.123 267 HD2 TYR 38 HD1 TYR 38 -18.729 11.646 2.797 268 HE1 TYR 38 HE2 TYR 38 -18.926 6.877 1.605 269 HE2 TYR 38 HE1 TYR 38 -19.874 10.058 4.287 270 HH TYR 38 HH TYR 38 -20.906 7.901 4.237 271 H ILE 39 H ILE 39 -15.054 10.442 -1.693 272 HA ILE 39 HA ILE 39 -13.965 13.022 -2.444 273 HB ILE 39 HB ILE 39 -14.124 10.550 -4.173 274 HG12 ILE 39 HG12 ILE 39 -12.994 9.943 -2.102 275 HG13 ILE 39 HG13 ILE 39 -11.819 10.055 -3.407 276 HG21 ILE 39 HG21 ILE 39 -12.281 12.940 -4.231 277 HG22 ILE 39 HG22 ILE 39 -12.220 11.562 -5.330 278 HG23 ILE 39 HG23 ILE 39 -13.620 12.636 -5.338 279 HD11 ILE 39 HD11 ILE 39 -11.126 12.246 -2.602 280 HD12 ILE 39 HD12 ILE 39 -12.319 12.152 -1.307 281 HD13 ILE 39 HD13 ILE 39 -10.966 11.020 -1.343 282 H ARG 40 H ARG 40 -15.047 14.503 -3.528 283 HA ARG 40 HA ARG 40 -17.730 13.831 -4.483 284 HB2 ARG 40 HB2 ARG 40 -16.352 16.437 -3.861 285 HB3 ARG 40 HB3 ARG 40 -17.908 16.370 -4.677 286 HG2 ARG 40 HG2 ARG 40 -17.377 15.118 -1.999 287 HG3 ARG 40 HG3 ARG 40 -18.022 16.747 -2.218 288 HD2 ARG 40 HD2 ARG 40 -19.277 14.190 -3.212 289 HD3 ARG 40 HD3 ARG 40 -19.813 15.135 -1.822 290 HE ARG 40 HE ARG 40 -19.778 16.836 -4.034 291 HH11 ARG 40 HH11 ARG 40 -21.513 14.025 -2.884 292 HH12 ARG 40 HH12 ARG 40 -22.962 14.394 -3.775 293 HH21 ARG 40 HH21 ARG 40 -21.659 17.311 -5.242 294 HH22 ARG 40 HH22 ARG 40 -23.028 16.239 -5.151 295 H LEU 41 H LEU 41 -14.772 15.403 -5.618 296 HA LEU 41 HA LEU 41 -15.407 14.678 -8.345 297 HB2 LEU 41 HB2 LEU 41 -16.593 16.824 -8.009 298 HB3 LEU 41 HB3 LEU 41 -15.078 17.576 -7.550 299 HG LEU 41 HG LEU 41 -14.196 17.109 -9.821 300 HD11 LEU 41 HD11 LEU 41 -17.013 16.189 -10.355 301 HD12 LEU 41 HD12 LEU 41 -15.783 16.478 -11.585 302 HD13 LEU 41 HD13 LEU 41 -15.556 15.195 -10.395 303 HD21 LEU 41 HD21 LEU 41 -15.158 19.279 -9.290 304 HD22 LEU 41 HD22 LEU 41 -15.512 18.829 -10.959 305 HD23 LEU 41 HD23 LEU 41 -16.763 18.686 -9.723 306 H VAL 42 H VAL 42 -13.605 14.372 -9.526 307 HA VAL 42 HA VAL 42 -11.064 15.343 -8.407 308 HB VAL 42 HB VAL 42 -11.168 12.931 -8.118 309 HG11 VAL 42 HG11 VAL 42 -11.317 11.409 -10.029 310 HG12 VAL 42 HG12 VAL 42 -12.787 12.367 -9.836 311 HG13 VAL 42 HG13 VAL 42 -11.621 12.781 -11.093 312 HG21 VAL 42 HG21 VAL 42 -9.338 13.656 -10.398 313 HG22 VAL 42 HG22 VAL 42 -9.015 13.937 -8.688 314 HG23 VAL 42 HG23 VAL 42 -9.146 12.288 -9.303 315 H GLU 43 H GLU 43 -9.631 16.276 -9.822 316 HA GLU 43 HA GLU 43 -10.757 17.079 -12.373 317 HB2 GLU 43 HB2 GLU 43 -9.793 18.779 -10.927 318 HB3 GLU 43 HB3 GLU 43 -8.265 17.914 -10.880 319 HG2 GLU 43 HG2 GLU 43 -7.934 18.321 -13.234 320 HG3 GLU 43 HG3 GLU 43 -9.493 19.137 -13.335 321 HA PRO 44 HA PRO 44 -8.548 13.977 -14.684 322 HB2 PRO 44 HB2 PRO 44 -8.625 15.299 -17.098 323 HB3 PRO 44 HB3 PRO 44 -9.946 14.315 -16.455 324 HG2 PRO 44 HG2 PRO 44 -9.584 17.283 -16.398 325 HG3 PRO 44 HG3 PRO 44 -11.058 16.339 -16.681 326 HD2 PRO 44 HD2 PRO 44 -10.567 17.507 -14.317 327 HD3 PRO 44 HD3 PRO 44 -11.381 15.932 -14.425 328 H GLY 45 H GLY 45 -7.663 17.330 -14.541 329 HA2 GLY 45 HA2 GLY 45 -5.073 16.848 -15.778 330 HA3 GLY 45 HA3 GLY 45 -5.711 18.399 -15.255 331 H SER 46 H SER 46 -6.074 15.945 -12.929 332 HA SER 46 HA SER 46 -3.587 16.775 -11.601 333 HB2 SER 46 HB2 SER 46 -4.811 16.744 -9.445 334 HB3 SER 46 HB3 SER 46 -5.434 17.964 -10.550 335 HG SER 46 HG SER 46 -6.814 15.780 -11.028 336 HA PRO 47 HA PRO 47 -2.395 12.623 -11.429 337 HB2 PRO 47 HB2 PRO 47 -1.348 12.518 -8.858 338 HB3 PRO 47 HB3 PRO 47 -0.503 13.095 -10.296 339 HG2 PRO 47 HG2 PRO 47 -1.921 14.651 -8.176 340 HG3 PRO 47 HG3 PRO 47 -0.406 15.023 -9.019 341 HD2 PRO 47 HD2 PRO 47 -2.679 16.261 -9.662 342 HD3 PRO 47 HD3 PRO 47 -1.508 15.794 -10.916 343 H ALA 48 H ALA 48 -4.776 13.687 -9.205 344 HA ALA 48 HA ALA 48 -5.082 11.405 -7.607 345 HB1 ALA 48 HB1 ALA 48 -7.332 12.237 -7.156 346 HB2 ALA 48 HB2 ALA 48 -6.136 13.533 -7.080 347 HB3 ALA 48 HB3 ALA 48 -7.179 13.374 -8.494 348 H GLU 49 H GLU 49 -6.335 12.155 -10.833 349 HA GLU 49 HA GLU 49 -8.189 9.994 -10.826 350 HB2 GLU 49 HB2 GLU 49 -8.159 10.428 -13.388 351 HB3 GLU 49 HB3 GLU 49 -8.865 11.610 -12.302 352 HG2 GLU 49 HG2 GLU 49 -7.620 12.803 -13.903 353 HG3 GLU 49 HG3 GLU 49 -6.696 12.864 -12.408 354 H LYS 50 H LYS 50 -4.857 10.298 -11.903 355 HA LYS 50 HA LYS 50 -4.837 7.765 -13.244 356 HB2 LYS 50 HB2 LYS 50 -2.527 8.120 -13.594 357 HB3 LYS 50 HB3 LYS 50 -3.273 9.704 -13.710 358 HG2 LYS 50 HG2 LYS 50 -2.592 10.143 -11.376 359 HG3 LYS 50 HG3 LYS 50 -1.747 8.596 -11.369 360 HD2 LYS 50 HD2 LYS 50 -0.132 10.278 -11.832 361 HD3 LYS 50 HD3 LYS 50 -0.439 9.421 -13.344 362 HE2 LYS 50 HE2 LYS 50 -1.913 11.190 -14.086 363 HE3 LYS 50 HE3 LYS 50 -1.717 12.032 -12.549 364 HZ1 LYS 50 HZ1 LYS 50 -0.277 13.067 -14.083 365 HZ2 LYS 50 HZ2 LYS 50 0.712 12.126 -13.078 366 HZ3 LYS 50 HZ3 LYS 50 0.332 11.582 -14.639 367 H ALA 51 H ALA 51 -4.456 8.817 -9.990 368 HA ALA 51 HA ALA 51 -3.039 6.549 -9.017 369 HB1 ALA 51 HB1 ALA 51 -4.855 8.413 -7.484 370 HB2 ALA 51 HB2 ALA 51 -3.598 7.366 -6.821 371 HB3 ALA 51 HB3 ALA 51 -3.157 8.733 -7.840 372 H GLY 52 H GLY 52 -6.144 6.952 -10.191 373 HA2 GLY 52 HA2 GLY 52 -7.628 5.133 -10.516 374 HA3 GLY 52 HA3 GLY 52 -6.933 4.343 -9.108 375 H LEU 53 H LEU 53 -7.378 7.464 -8.257 376 HA LEU 53 HA LEU 53 -9.544 6.911 -6.512 377 HB2 LEU 53 HB2 LEU 53 -7.702 8.488 -6.037 378 HB3 LEU 53 HB3 LEU 53 -8.323 9.551 -7.284 379 HG LEU 53 HG LEU 53 -10.472 9.661 -5.941 380 HD11 LEU 53 HD11 LEU 53 -10.108 7.693 -4.565 381 HD12 LEU 53 HD12 LEU 53 -8.692 8.453 -3.836 382 HD13 LEU 53 HD13 LEU 53 -10.296 9.136 -3.570 383 HD21 LEU 53 HD21 LEU 53 -9.564 11.335 -4.425 384 HD22 LEU 53 HD22 LEU 53 -7.937 10.714 -4.709 385 HD23 LEU 53 HD23 LEU 53 -8.837 11.465 -6.027 386 H LEU 54 H LEU 54 -11.684 7.171 -6.819 387 HA LEU 54 HA LEU 54 -12.534 8.523 -9.292 388 HB2 LEU 54 HB2 LEU 54 -13.901 6.363 -7.686 389 HB3 LEU 54 HB3 LEU 54 -14.612 7.166 -9.071 390 HG LEU 54 HG LEU 54 -12.128 5.453 -9.124 391 HD11 LEU 54 HD11 LEU 54 -13.537 3.898 -10.408 392 HD12 LEU 54 HD12 LEU 54 -14.134 4.138 -8.766 393 HD13 LEU 54 HD13 LEU 54 -14.929 4.942 -10.119 394 HD21 LEU 54 HD21 LEU 54 -12.040 7.237 -10.780 395 HD22 LEU 54 HD22 LEU 54 -12.293 5.672 -11.554 396 HD23 LEU 54 HD23 LEU 54 -13.644 6.789 -11.361 397 H ALA 55 H ALA 55 -14.627 9.636 -9.185 398 HA ALA 55 HA ALA 55 -14.705 11.354 -6.863 399 HB1 ALA 55 HB1 ALA 55 -16.351 12.632 -8.126 400 HB2 ALA 55 HB2 ALA 55 -14.929 12.281 -9.111 401 HB3 ALA 55 HB3 ALA 55 -16.416 11.359 -9.344 402 H GLY 56 H GLY 56 -15.311 8.920 -5.954 403 HA2 GLY 56 HA2 GLY 56 -17.818 9.308 -4.702 404 HA3 GLY 56 HA3 GLY 56 -17.971 8.091 -5.961 405 H ASP 57 H ASP 57 -15.133 8.680 -3.985 406 HA ASP 57 HA ASP 57 -15.345 5.925 -2.986 407 HB2 ASP 57 HB2 ASP 57 -13.026 7.694 -3.657 408 HB3 ASP 57 HB3 ASP 57 -12.817 6.429 -2.454 409 H ARG 58 H ARG 58 -15.054 5.456 -0.824 410 HA ARG 58 HA ARG 58 -14.870 7.748 1.009 411 HB2 ARG 58 HB2 ARG 58 -15.416 5.945 2.776 412 HB3 ARG 58 HB3 ARG 58 -16.709 6.494 1.719 413 HG2 ARG 58 HG2 ARG 58 -16.573 4.515 0.400 414 HG3 ARG 58 HG3 ARG 58 -15.098 4.002 1.220 415 HD2 ARG 58 HD2 ARG 58 -17.200 2.828 1.938 416 HD3 ARG 58 HD3 ARG 58 -16.266 3.565 3.238 417 HE ARG 58 HE ARG 58 -18.100 5.465 2.578 418 HH11 ARG 58 HH11 ARG 58 -18.290 2.097 3.514 419 HH12 ARG 58 HH12 ARG 58 -19.848 2.254 4.263 420 HH21 ARG 58 HH21 ARG 58 -20.135 5.701 3.619 421 HH22 ARG 58 HH22 ARG 58 -20.900 4.305 4.322 422 H LEU 59 H LEU 59 -13.146 8.004 2.324 423 HA LEU 59 HA LEU 59 -10.784 6.543 1.492 424 HB2 LEU 59 HB2 LEU 59 -10.832 9.019 1.623 425 HB3 LEU 59 HB3 LEU 59 -11.048 8.899 3.357 426 HG LEU 59 HG LEU 59 -8.850 7.879 3.591 427 HD11 LEU 59 HD11 LEU 59 -8.654 8.209 0.601 428 HD12 LEU 59 HD12 LEU 59 -7.341 7.721 1.671 429 HD13 LEU 59 HD13 LEU 59 -8.751 6.680 1.474 430 HD21 LEU 59 HD21 LEU 59 -8.815 10.383 1.918 431 HD22 LEU 59 HD22 LEU 59 -9.029 10.302 3.666 432 HD23 LEU 59 HD23 LEU 59 -7.499 9.808 2.941 433 H VAL 60 H VAL 60 -9.732 5.068 2.645 434 HA VAL 60 HA VAL 60 -10.844 4.350 5.261 435 HB VAL 60 HB VAL 60 -9.072 2.748 3.416 436 HG11 VAL 60 HG11 VAL 60 -9.708 0.843 4.845 437 HG12 VAL 60 HG12 VAL 60 -8.771 2.066 5.704 438 HG13 VAL 60 HG13 VAL 60 -10.516 1.964 5.942 439 HG21 VAL 60 HG21 VAL 60 -11.088 1.460 2.917 440 HG22 VAL 60 HG22 VAL 60 -12.039 2.556 3.918 441 HG23 VAL 60 HG23 VAL 60 -11.269 3.150 2.446 442 H GLU 61 H GLU 61 -7.656 4.728 3.674 443 HA GLU 61 HA GLU 61 -6.556 5.354 6.331 444 HB2 GLU 61 HB2 GLU 61 -4.567 4.078 5.936 445 HB3 GLU 61 HB3 GLU 61 -5.935 3.017 5.623 446 HG2 GLU 61 HG2 GLU 61 -5.434 2.792 3.447 447 HG3 GLU 61 HG3 GLU 61 -4.937 4.475 3.280 448 H VAL 62 H VAL 62 -4.636 6.624 6.321 449 HA VAL 62 HA VAL 62 -3.990 7.943 3.777 450 HB VAL 62 HB VAL 62 -4.375 9.324 6.441 451 HG11 VAL 62 HG11 VAL 62 -2.347 10.159 5.358 452 HG12 VAL 62 HG12 VAL 62 -3.255 10.455 3.875 453 HG13 VAL 62 HG13 VAL 62 -3.625 11.374 5.335 454 HG21 VAL 62 HG21 VAL 62 -5.661 9.843 3.764 455 HG22 VAL 62 HG22 VAL 62 -6.407 8.936 5.078 456 HG23 VAL 62 HG23 VAL 62 -6.029 10.646 5.290 457 H ASN 63 H ASN 63 -2.046 7.279 3.339 458 HA ASN 63 HA ASN 63 0.183 6.881 3.438 459 HB2 ASN 63 HB2 ASN 63 -0.009 9.344 4.231 460 HB3 ASN 63 HB3 ASN 63 0.364 8.702 5.825 461 HD21 ASN 63 HD21 ASN 63 1.573 9.400 2.663 462 HD22 ASN 63 HD22 ASN 63 3.239 9.096 2.998 463 H GLY 64 H GLY 64 -1.311 4.914 4.696 464 HA2 GLY 64 HA2 GLY 64 -0.173 2.980 5.566 465 HA3 GLY 64 HA3 GLY 64 0.769 4.041 6.595 466 H GLU 65 H GLU 65 -1.725 5.545 7.372 467 HA GLU 65 HA GLU 65 -2.538 3.548 9.375 468 HB2 GLU 65 HB2 GLU 65 -2.881 5.433 10.922 469 HB3 GLU 65 HB3 GLU 65 -1.220 5.312 10.365 470 HG2 GLU 65 HG2 GLU 65 -1.627 7.122 8.772 471 HG3 GLU 65 HG3 GLU 65 -3.290 7.244 9.348 472 H ASN 66 H ASN 66 -4.605 3.216 9.842 473 HA ASN 66 HA ASN 66 -6.641 3.905 8.024 474 HB2 ASN 66 HB2 ASN 66 -6.731 1.884 9.388 475 HB3 ASN 66 HB3 ASN 66 -6.809 2.848 10.856 476 HD21 ASN 66 HD21 ASN 66 -8.728 3.875 11.407 477 HD22 ASN 66 HD22 ASN 66 -10.242 3.490 10.636 478 H VAL 67 H VAL 67 -8.183 5.487 8.017 479 HA VAL 67 HA VAL 67 -8.191 7.390 10.262 480 HB VAL 67 HB VAL 67 -8.211 9.294 8.727 481 HG11 VAL 67 HG11 VAL 67 -6.076 8.615 9.663 482 HG12 VAL 67 HG12 VAL 67 -5.831 7.486 8.330 483 HG13 VAL 67 HG13 VAL 67 -5.860 9.222 8.021 484 HG21 VAL 67 HG21 VAL 67 -7.720 9.042 6.368 485 HG22 VAL 67 HG22 VAL 67 -7.638 7.290 6.543 486 HG23 VAL 67 HG23 VAL 67 -9.171 8.131 6.779 487 H GLU 68 H GLU 68 -10.124 5.302 8.937 488 HA GLU 68 HA GLU 68 -12.201 7.014 7.936 489 HB2 GLU 68 HB2 GLU 68 -13.552 4.813 7.926 490 HB3 GLU 68 HB3 GLU 68 -12.249 5.045 6.778 491 HG2 GLU 68 HG2 GLU 68 -12.058 2.854 7.544 492 HG3 GLU 68 HG3 GLU 68 -10.780 3.751 8.352 493 H LYS 69 H LYS 69 -11.256 6.830 10.923 494 HA LYS 69 HA LYS 69 -14.007 7.272 11.884 495 HB2 LYS 69 HB2 LYS 69 -11.617 6.561 13.597 496 HB3 LYS 69 HB3 LYS 69 -13.262 6.825 14.154 497 HG2 LYS 69 HG2 LYS 69 -12.320 4.571 12.400 498 HG3 LYS 69 HG3 LYS 69 -12.748 4.468 14.108 499 HD2 LYS 69 HD2 LYS 69 -15.038 5.319 13.438 500 HD3 LYS 69 HD3 LYS 69 -14.549 5.031 11.768 501 HE2 LYS 69 HE2 LYS 69 -14.802 3.009 13.984 502 HE3 LYS 69 HE3 LYS 69 -15.770 3.119 12.515 503 HZ1 LYS 69 HZ1 LYS 69 -13.671 2.677 11.260 504 HZ2 LYS 69 HZ2 LYS 69 -12.911 2.351 12.741 505 HZ3 LYS 69 HZ3 LYS 69 -14.201 1.389 12.228 506 H GLU 70 H GLU 70 -11.294 8.773 10.854 507 HA GLU 70 HA GLU 70 -11.026 10.817 12.854 508 HB2 GLU 70 HB2 GLU 70 -10.002 10.675 10.014 509 HB3 GLU 70 HB3 GLU 70 -9.543 11.897 11.192 510 HG2 GLU 70 HG2 GLU 70 -9.051 8.946 11.474 511 HG3 GLU 70 HG3 GLU 70 -7.869 10.130 10.933 512 H THR 71 H THR 71 -11.448 13.079 12.468 513 HA THR 71 HA THR 71 -14.053 13.516 11.435 514 HB THR 71 HB THR 71 -13.768 15.834 12.038 515 HG1 THR 71 HG1 THR 71 -11.568 16.418 12.894 516 HG21 THR 71 HG21 THR 71 -14.107 14.280 13.903 517 HG22 THR 71 HG22 THR 71 -12.360 14.079 14.054 518 HG23 THR 71 HG23 THR 71 -13.100 15.644 14.389 519 H HIS 72 H HIS 72 -14.482 15.350 9.869 520 HA HIS 72 HA HIS 72 -13.404 14.790 7.357 521 HB2 HIS 72 HB2 HIS 72 -15.539 15.912 7.606 522 HB3 HIS 72 HB3 HIS 72 -14.775 17.286 8.393 523 HD1 HIS 72 HD1 HIS 72 -15.191 15.675 5.024 524 HD2 HIS 72 HD2 HIS 72 -13.720 19.190 6.687 525 HE1 HIS 72 HE1 HIS 72 -14.769 17.222 3.080 526 HE2 HIS 72 HE2 HIS 72 -13.863 19.346 4.106 527 H GLN 73 H GLN 73 -12.549 17.254 9.734 528 HA GLN 73 HA GLN 73 -10.623 18.583 8.158 529 HB2 GLN 73 HB2 GLN 73 -11.042 18.439 11.136 530 HB3 GLN 73 HB3 GLN 73 -9.886 19.507 10.363 531 HG2 GLN 73 HG2 GLN 73 -11.663 20.619 9.167 532 HG3 GLN 73 HG3 GLN 73 -12.845 19.521 9.875 533 HE21 GLN 73 HE21 GLN 73 -11.477 19.543 12.486 534 HE22 GLN 73 HE22 GLN 73 -11.876 21.061 13.202 535 H GLN 74 H GLN 74 -10.341 16.063 10.652 536 HA GLN 74 HA GLN 74 -7.546 16.055 10.802 537 HB2 GLN 74 HB2 GLN 74 -9.539 13.858 11.355 538 HB3 GLN 74 HB3 GLN 74 -7.823 13.712 11.698 539 HG2 GLN 74 HG2 GLN 74 -9.764 15.655 12.921 540 HG3 GLN 74 HG3 GLN 74 -8.975 14.288 13.708 541 HE21 GLN 74 HE21 GLN 74 -8.634 17.538 12.590 542 HE22 GLN 74 HE22 GLN 74 -7.089 17.849 13.306 543 H VAL 75 H VAL 75 -9.731 14.078 8.827 544 HA VAL 75 HA VAL 75 -7.773 12.464 7.654 545 HB VAL 75 HB VAL 75 -10.433 13.335 6.512 546 HG11 VAL 75 HG11 VAL 75 -10.278 11.367 5.088 547 HG12 VAL 75 HG12 VAL 75 -8.936 12.472 4.780 548 HG13 VAL 75 HG13 VAL 75 -8.676 11.013 5.738 549 HG21 VAL 75 HG21 VAL 75 -11.219 11.167 7.347 550 HG22 VAL 75 HG22 VAL 75 -9.636 10.879 8.066 551 HG23 VAL 75 HG23 VAL 75 -10.641 12.204 8.650 552 H VAL 76 H VAL 76 -9.188 15.526 6.508 553 HA VAL 76 HA VAL 76 -7.716 15.582 4.087 554 HB VAL 76 HB VAL 76 -8.982 17.877 5.603 555 HG11 VAL 76 HG11 VAL 76 -7.261 18.681 4.077 556 HG12 VAL 76 HG12 VAL 76 -7.978 17.752 2.761 557 HG13 VAL 76 HG13 VAL 76 -8.866 19.095 3.477 558 HG21 VAL 76 HG21 VAL 76 -10.799 17.647 3.975 559 HG22 VAL 76 HG22 VAL 76 -9.982 16.255 3.263 560 HG23 VAL 76 HG23 VAL 76 -10.588 16.171 4.917 561 H SER 77 H SER 77 -7.172 17.025 7.277 562 HA SER 77 HA SER 77 -4.872 18.487 6.694 563 HB2 SER 77 HB2 SER 77 -6.166 18.577 8.831 564 HB3 SER 77 HB3 SER 77 -5.460 17.025 9.280 565 HG SER 77 HG SER 77 -4.417 19.509 9.475 566 H ARG 78 H ARG 78 -5.221 15.070 7.572 567 HA ARG 78 HA ARG 78 -2.473 14.493 7.804 568 HB2 ARG 78 HB2 ARG 78 -4.762 12.661 7.074 569 HB3 ARG 78 HB3 ARG 78 -3.145 12.124 7.504 570 HG2 ARG 78 HG2 ARG 78 -3.415 13.158 9.718 571 HG3 ARG 78 HG3 ARG 78 -5.066 13.608 9.283 572 HD2 ARG 78 HD2 ARG 78 -5.571 11.218 8.908 573 HD3 ARG 78 HD3 ARG 78 -3.946 10.814 9.456 574 HE ARG 78 HE ARG 78 -6.190 11.671 11.097 575 HH11 ARG 78 HH11 ARG 78 -2.750 11.053 10.900 576 HH12 ARG 78 HH12 ARG 78 -2.576 10.793 12.610 577 HH21 ARG 78 HH21 ARG 78 -5.964 11.339 13.344 578 HH22 ARG 78 HH22 ARG 78 -4.385 10.976 14.000 579 H ILE 79 H ILE 79 -4.682 14.304 5.038 580 HA ILE 79 HA ILE 79 -2.869 13.113 3.231 581 HB ILE 79 HB ILE 79 -5.105 15.022 2.530 582 HG12 ILE 79 HG12 ILE 79 -5.213 12.009 2.802 583 HG13 ILE 79 HG13 ILE 79 -5.858 13.146 3.984 584 HG21 ILE 79 HG21 ILE 79 -5.137 13.796 0.396 585 HG22 ILE 79 HG22 ILE 79 -3.589 14.590 0.681 586 HG23 ILE 79 HG23 ILE 79 -3.748 12.852 0.932 587 HD11 ILE 79 HD11 ILE 79 -7.412 13.998 2.300 588 HD12 ILE 79 HD12 ILE 79 -6.777 12.836 1.134 589 HD13 ILE 79 HD13 ILE 79 -7.621 12.269 2.576 590 H ARG 80 H ARG 80 -3.664 16.495 3.896 591 HA ARG 80 HA ARG 80 -1.974 17.650 1.962 592 HB2 ARG 80 HB2 ARG 80 -3.203 18.701 4.498 593 HB3 ARG 80 HB3 ARG 80 -2.167 19.701 3.489 594 HG2 ARG 80 HG2 ARG 80 -3.667 19.507 1.638 595 HG3 ARG 80 HG3 ARG 80 -4.654 18.327 2.501 596 HD2 ARG 80 HD2 ARG 80 -5.607 20.630 2.468 597 HD3 ARG 80 HD3 ARG 80 -5.358 19.972 4.085 598 HE ARG 80 HE ARG 80 -3.085 21.449 3.361 599 HH11 ARG 80 HH11 ARG 80 -6.470 22.018 4.032 600 HH12 ARG 80 HH12 ARG 80 -6.196 23.569 4.768 601 HH21 ARG 80 HH21 ARG 80 -2.718 23.484 4.296 602 HH22 ARG 80 HH22 ARG 80 -4.063 24.417 4.894 603 H ALA 81 H ALA 81 -1.325 16.294 5.054 604 HA ALA 81 HA ALA 81 1.051 17.741 5.645 605 HB1 ALA 81 HB1 ALA 81 1.404 16.072 7.386 606 HB2 ALA 81 HB2 ALA 81 -0.263 16.649 7.384 607 HB3 ALA 81 HB3 ALA 81 0.125 15.073 6.697 608 H ALA 82 H ALA 82 0.428 15.239 3.408 609 HA ALA 82 HA ALA 82 2.954 13.941 3.475 610 HB1 ALA 82 HB1 ALA 82 0.999 12.904 2.461 611 HB2 ALA 82 HB2 ALA 82 0.956 14.164 1.229 612 HB3 ALA 82 HB3 ALA 82 2.313 13.038 1.292 613 H LEU 83 H LEU 83 4.777 14.277 2.286 614 HA LEU 83 HA LEU 83 5.249 17.025 1.547 615 HB2 LEU 83 HB2 LEU 83 7.107 14.647 1.581 616 HB3 LEU 83 HB3 LEU 83 7.596 16.311 1.321 617 HG LEU 83 HG LEU 83 6.348 15.237 3.856 618 HD11 LEU 83 HD11 LEU 83 8.616 14.411 3.503 619 HD12 LEU 83 HD12 LEU 83 9.183 16.063 3.261 620 HD13 LEU 83 HD13 LEU 83 8.554 15.569 4.832 621 HD21 LEU 83 HD21 LEU 83 5.778 17.568 3.480 622 HD22 LEU 83 HD22 LEU 83 6.948 17.424 4.790 623 HD23 LEU 83 HD23 LEU 83 7.475 17.955 3.192 624 H ASN 84 H ASN 84 4.969 13.919 -0.048 625 HA ASN 84 HA ASN 84 4.616 15.351 -2.557 626 HB2 ASN 84 HB2 ASN 84 6.999 14.742 -2.617 627 HB3 ASN 84 HB3 ASN 84 6.577 13.055 -2.323 628 HD21 ASN 84 HD21 ASN 84 7.378 12.258 -4.221 629 HD22 ASN 84 HD22 ASN 84 6.666 12.605 -5.761 630 H ALA 85 H ALA 85 4.964 11.989 -1.400 631 HA ALA 85 HA ALA 85 2.469 11.399 -2.843 632 HB1 ALA 85 HB1 ALA 85 4.421 10.268 -3.778 633 HB2 ALA 85 HB2 ALA 85 4.757 9.535 -2.209 634 HB3 ALA 85 HB3 ALA 85 3.286 9.111 -3.084 635 H VAL 86 H VAL 86 0.891 10.260 -1.882 636 HA VAL 86 HA VAL 86 1.244 9.435 0.907 637 HB VAL 86 HB VAL 86 0.265 11.678 0.992 638 HG11 VAL 86 HG11 VAL 86 -1.927 12.153 0.020 639 HG12 VAL 86 HG12 VAL 86 -0.740 11.751 -1.222 640 HG13 VAL 86 HG13 VAL 86 -1.942 10.557 -0.732 641 HG21 VAL 86 HG21 VAL 86 -1.738 9.518 1.638 642 HG22 VAL 86 HG22 VAL 86 -0.456 10.119 2.690 643 HG23 VAL 86 HG23 VAL 86 -1.795 11.175 2.242 644 H ARG 87 H ARG 87 -0.046 7.693 1.523 645 HA ARG 87 HA ARG 87 -1.226 6.175 -0.662 646 HB2 ARG 87 HB2 ARG 87 -0.763 5.500 2.250 647 HB3 ARG 87 HB3 ARG 87 -1.554 4.425 1.108 648 HG2 ARG 87 HG2 ARG 87 0.398 4.021 -0.063 649 HG3 ARG 87 HG3 ARG 87 1.198 5.460 0.581 650 HD2 ARG 87 HD2 ARG 87 1.878 3.162 1.522 651 HD3 ARG 87 HD3 ARG 87 1.575 4.479 2.650 652 HE ARG 87 HE ARG 87 -0.835 3.222 2.486 653 HH11 ARG 87 HH11 ARG 87 2.430 2.163 3.209 654 HH12 ARG 87 HH12 ARG 87 1.912 0.905 4.296 655 HH21 ARG 87 HH21 ARG 87 -1.522 1.570 3.918 656 HH22 ARG 87 HH22 ARG 87 -0.323 0.558 4.674 657 H LEU 88 H LEU 88 -3.294 6.525 -1.139 658 HA LEU 88 HA LEU 88 -5.133 7.010 1.109 659 HB2 LEU 88 HB2 LEU 88 -5.432 7.845 -1.780 660 HB3 LEU 88 HB3 LEU 88 -6.602 8.139 -0.507 661 HG LEU 88 HG LEU 88 -3.815 9.300 -0.628 662 HD11 LEU 88 HD11 LEU 88 -5.269 10.272 -2.306 663 HD12 LEU 88 HD12 LEU 88 -6.513 10.561 -1.090 664 HD13 LEU 88 HD13 LEU 88 -4.980 11.428 -1.005 665 HD21 LEU 88 HD21 LEU 88 -4.514 10.644 1.282 666 HD22 LEU 88 HD22 LEU 88 -6.064 9.805 1.319 667 HD23 LEU 88 HD23 LEU 88 -4.576 8.924 1.666 668 H LEU 89 H LEU 89 -5.956 5.044 1.573 669 HA LEU 89 HA LEU 89 -6.586 3.200 -0.578 670 HB2 LEU 89 HB2 LEU 89 -5.688 2.290 1.509 671 HB3 LEU 89 HB3 LEU 89 -7.035 2.973 2.400 672 HG LEU 89 HG LEU 89 -8.546 1.510 0.961 673 HD11 LEU 89 HD11 LEU 89 -7.535 -0.467 -0.026 674 HD12 LEU 89 HD12 LEU 89 -6.926 1.003 -0.790 675 HD13 LEU 89 HD13 LEU 89 -5.929 0.139 0.380 676 HD21 LEU 89 HD21 LEU 89 -8.173 -0.452 2.347 677 HD22 LEU 89 HD22 LEU 89 -6.601 0.183 2.835 678 HD23 LEU 89 HD23 LEU 89 -8.077 1.033 3.291 679 H VAL 90 H VAL 90 -8.498 3.067 -1.516 680 HA VAL 90 HA VAL 90 -10.741 4.467 -0.245 681 HB VAL 90 HB VAL 90 -11.360 5.397 -2.495 682 HG11 VAL 90 HG11 VAL 90 -9.810 7.270 -2.361 683 HG12 VAL 90 HG12 VAL 90 -10.348 6.768 -0.758 684 HG13 VAL 90 HG13 VAL 90 -8.740 6.320 -1.330 685 HG21 VAL 90 HG21 VAL 90 -9.556 5.632 -4.166 686 HG22 VAL 90 HG22 VAL 90 -8.549 4.552 -3.201 687 HG23 VAL 90 HG23 VAL 90 -10.041 3.952 -3.924 688 H VAL 91 H VAL 91 -12.784 3.823 -0.903 689 HA VAL 91 HA VAL 91 -13.043 1.584 -2.721 690 HB VAL 91 HB VAL 91 -12.581 0.494 -0.568 691 HG11 VAL 91 HG11 VAL 91 -13.366 2.218 0.944 692 HG12 VAL 91 HG12 VAL 91 -15.031 1.930 0.436 693 HG13 VAL 91 HG13 VAL 91 -14.143 0.676 1.302 694 HG21 VAL 91 HG21 VAL 91 -14.518 -0.976 -0.484 695 HG22 VAL 91 HG22 VAL 91 -15.460 0.197 -1.407 696 HG23 VAL 91 HG23 VAL 91 -14.076 -0.605 -2.150 697 H ASP 92 H ASP 92 -14.943 1.660 -3.789 698 HA ASP 92 HA ASP 92 -16.751 3.810 -3.511 699 HB2 ASP 92 HB2 ASP 92 -17.506 1.137 -4.692 700 HB3 ASP 92 HB3 ASP 92 -18.057 2.736 -5.172 701 HA PRO 93 HA PRO 93 -19.026 2.360 0.035 702 HB2 PRO 93 HB2 PRO 93 -21.330 3.849 -1.053 703 HB3 PRO 93 HB3 PRO 93 -20.476 4.049 0.482 704 HG2 PRO 93 HG2 PRO 93 -20.217 5.831 -1.512 705 HG3 PRO 93 HG3 PRO 93 -18.871 5.428 -0.430 706 HD2 PRO 93 HD2 PRO 93 -19.392 4.509 -3.230 707 HD3 PRO 93 HD3 PRO 93 -17.858 4.964 -2.457 708 H GLU 94 H GLU 94 -20.297 2.139 -3.229 709 HA GLU 94 HA GLU 94 -22.210 0.089 -2.659 710 HB2 GLU 94 HB2 GLU 94 -20.845 0.862 -5.245 711 HB3 GLU 94 HB3 GLU 94 -22.197 -0.256 -5.115 712 HG2 GLU 94 HG2 GLU 94 -23.645 1.477 -4.332 713 HG3 GLU 94 HG3 GLU 94 -22.300 2.608 -4.209 714 H THR 95 H THR 95 -18.856 0.145 -3.778 715 HA THR 95 HA THR 95 -18.472 -2.633 -4.013 716 HB THR 95 HB THR 95 -16.482 -0.449 -3.352 717 HG1 THR 95 HG1 THR 95 -16.273 -0.206 -5.496 718 HG21 THR 95 HG21 THR 95 -15.995 -3.245 -4.377 719 HG22 THR 95 HG22 THR 95 -14.772 -1.987 -4.190 720 HG23 THR 95 HG23 THR 95 -15.587 -2.642 -2.770 721 H ASP 96 H ASP 96 -18.144 -0.382 -1.336 722 HA ASP 96 HA ASP 96 -17.057 -2.051 0.614 723 HB2 ASP 96 HB2 ASP 96 -17.250 0.351 0.931 724 HB3 ASP 96 HB3 ASP 96 -19.006 0.254 0.862 725 H GLU 97 H GLU 97 -20.339 -1.632 -0.501 726 HA GLU 97 HA GLU 97 -21.687 -3.109 1.472 727 HB2 GLU 97 HB2 GLU 97 -22.737 -1.609 -0.229 728 HB3 GLU 97 HB3 GLU 97 -22.403 -2.827 -1.450 729 HG2 GLU 97 HG2 GLU 97 -23.791 -4.415 -0.084 730 HG3 GLU 97 HG3 GLU 97 -24.269 -3.025 0.891 731 H GLN 98 H GLN 98 -20.272 -4.026 -1.633 732 HA GLN 98 HA GLN 98 -20.893 -6.775 -1.578 733 HB2 GLN 98 HB2 GLN 98 -20.196 -5.798 -3.628 734 HB3 GLN 98 HB3 GLN 98 -18.719 -5.175 -2.912 735 HG2 GLN 98 HG2 GLN 98 -18.184 -7.010 -4.326 736 HG3 GLN 98 HG3 GLN 98 -17.906 -7.488 -2.657 737 HE21 GLN 98 HE21 GLN 98 -19.173 -9.084 -1.751 738 HE22 GLN 98 HE22 GLN 98 -20.195 -10.108 -2.706 739 H LEU 99 H LEU 99 -18.195 -4.911 -0.313 740 HA LEU 99 HA LEU 99 -16.582 -7.100 0.441 741 HB2 LEU 99 HB2 LEU 99 -16.625 -4.323 1.594 742 HB3 LEU 99 HB3 LEU 99 -15.341 -5.504 1.785 743 HG LEU 99 HG LEU 99 -16.058 -3.855 -0.594 744 HD11 LEU 99 HD11 LEU 99 -13.625 -3.648 -0.711 745 HD12 LEU 99 HD12 LEU 99 -14.254 -3.175 0.869 746 HD13 LEU 99 HD13 LEU 99 -13.479 -4.747 0.660 747 HD21 LEU 99 HD21 LEU 99 -14.776 -5.345 -2.062 748 HD22 LEU 99 HD22 LEU 99 -14.657 -6.529 -0.762 749 HD23 LEU 99 HD23 LEU 99 -16.232 -6.134 -1.454 750 H GLN 100 H GLN 100 -19.185 -5.398 2.052 751 HA GLN 100 HA GLN 100 -18.856 -6.452 4.632 752 HB2 GLN 100 HB2 GLN 100 -21.404 -5.659 3.212 753 HB3 GLN 100 HB3 GLN 100 -21.257 -5.946 4.940 754 HG2 GLN 100 HG2 GLN 100 -19.680 -4.098 5.122 755 HG3 GLN 100 HG3 GLN 100 -19.810 -3.816 3.387 756 HE21 GLN 100 HE21 GLN 100 -20.383 -2.023 5.584 757 HE22 GLN 100 HE22 GLN 100 -22.040 -1.553 5.405 758 H LYS 101 H LYS 101 -20.462 -7.758 1.764 759 HA LYS 101 HA LYS 101 -21.551 -10.049 3.002 760 HB2 LYS 101 HB2 LYS 101 -20.869 -9.338 0.174 761 HB3 LYS 101 HB3 LYS 101 -21.288 -10.997 0.569 762 HG2 LYS 101 HG2 LYS 101 -23.283 -10.023 -0.140 763 HG3 LYS 101 HG3 LYS 101 -23.393 -10.057 1.617 764 HD2 LYS 101 HD2 LYS 101 -22.768 -7.709 1.719 765 HD3 LYS 101 HD3 LYS 101 -22.602 -7.665 -0.038 766 HE2 LYS 101 HE2 LYS 101 -24.982 -8.266 -0.250 767 HE3 LYS 101 HE3 LYS 101 -25.131 -8.230 1.504 768 HZ1 LYS 101 HZ1 LYS 101 -24.538 -5.884 1.469 769 HZ2 LYS 101 HZ2 LYS 101 -24.417 -5.924 -0.221 770 HZ3 LYS 101 HZ3 LYS 101 -25.915 -6.177 0.521 771 H LEU 102 H LEU 102 -18.358 -9.287 1.837 772 HA LEU 102 HA LEU 102 -17.414 -11.992 1.848 773 HB2 LEU 102 HB2 LEU 102 -15.749 -9.482 2.013 774 HB3 LEU 102 HB3 LEU 102 -15.233 -11.066 1.467 775 HG LEU 102 HG LEU 102 -17.130 -9.196 0.044 776 HD11 LEU 102 HD11 LEU 102 -15.387 -9.201 -1.688 777 HD12 LEU 102 HD12 LEU 102 -14.814 -8.539 -0.158 778 HD13 LEU 102 HD13 LEU 102 -14.362 -10.176 -0.635 779 HD21 LEU 102 HD21 LEU 102 -16.219 -11.954 -0.771 780 HD22 LEU 102 HD22 LEU 102 -17.841 -11.520 -0.232 781 HD23 LEU 102 HD23 LEU 102 -17.205 -10.854 -1.735 782 H GLY 103 H GLY 103 -16.768 -9.169 3.925 783 HA2 GLY 103 HA2 GLY 103 -16.783 -9.046 6.232 784 HA3 GLY 103 HA3 GLY 103 -17.152 -10.759 6.292 785 H VAL 104 H VAL 104 -14.834 -11.582 4.757 786 HA VAL 104 HA VAL 104 -13.100 -11.831 7.016 787 HB VAL 104 HB VAL 104 -13.588 -13.752 5.638 788 HG11 VAL 104 HG11 VAL 104 -12.726 -14.004 3.369 789 HG12 VAL 104 HG12 VAL 104 -13.878 -12.675 3.486 790 HG13 VAL 104 HG13 VAL 104 -12.150 -12.337 3.402 791 HG21 VAL 104 HG21 VAL 104 -10.680 -12.978 5.467 792 HG22 VAL 104 HG22 VAL 104 -11.481 -13.760 6.828 793 HG23 VAL 104 HG23 VAL 104 -11.319 -14.614 5.294 794 H GLN 105 H GLN 105 -12.881 -9.361 6.810 795 HA GLN 105 HA GLN 105 -11.517 -7.548 6.501 796 HB2 GLN 105 HB2 GLN 105 -9.780 -9.794 7.446 797 HB3 GLN 105 HB3 GLN 105 -9.153 -8.158 7.287 798 HG2 GLN 105 HG2 GLN 105 -11.534 -8.938 8.951 799 HG3 GLN 105 HG3 GLN 105 -9.899 -8.688 9.563 800 HE21 GLN 105 HE21 GLN 105 -9.055 -6.620 9.660 801 HE22 GLN 105 HE22 GLN 105 -10.057 -5.213 9.552 802 H VAL 106 H VAL 106 -11.930 -7.914 4.001 803 HA VAL 106 HA VAL 106 -9.460 -8.281 2.555 804 HB VAL 106 HB VAL 106 -10.760 -7.399 0.595 805 HG11 VAL 106 HG11 VAL 106 -12.157 -9.396 0.359 806 HG12 VAL 106 HG12 VAL 106 -10.559 -9.779 0.998 807 HG13 VAL 106 HG13 VAL 106 -11.953 -9.735 2.078 808 HG21 VAL 106 HG21 VAL 106 -12.367 -6.014 1.774 809 HG22 VAL 106 HG22 VAL 106 -13.205 -7.239 0.822 810 HG23 VAL 106 HG23 VAL 106 -13.044 -7.436 2.567 811 H ARG 107 H ARG 107 -10.388 -5.904 4.571 812 HA ARG 107 HA ARG 107 -10.439 -3.612 2.941 813 HB2 ARG 107 HB2 ARG 107 -10.439 -2.304 4.964 814 HB3 ARG 107 HB3 ARG 107 -11.492 -3.693 5.164 815 HG2 ARG 107 HG2 ARG 107 -9.747 -4.817 6.467 816 HG3 ARG 107 HG3 ARG 107 -8.710 -3.400 6.283 817 HD2 ARG 107 HD2 ARG 107 -9.732 -3.213 8.417 818 HD3 ARG 107 HD3 ARG 107 -10.556 -2.061 7.368 819 HE ARG 107 HE ARG 107 -11.729 -4.718 7.802 820 HH11 ARG 107 HH11 ARG 107 -11.873 -1.246 8.268 821 HH12 ARG 107 HH12 ARG 107 -13.533 -1.258 8.783 822 HH21 ARG 107 HH21 ARG 107 -13.911 -4.731 8.474 823 HH22 ARG 107 HH22 ARG 107 -14.702 -3.235 8.876 824 H GLU 108 H GLU 108 -7.754 -4.989 4.886 825 HA GLU 108 HA GLU 108 -5.975 -3.610 3.054 826 HB2 GLU 108 HB2 GLU 108 -4.522 -2.881 5.054 827 HB3 GLU 108 HB3 GLU 108 -5.914 -1.916 4.601 828 HG2 GLU 108 HG2 GLU 108 -5.879 -2.039 6.946 829 HG3 GLU 108 HG3 GLU 108 -7.197 -3.071 6.400 830 H GLU 109 H GLU 109 -6.719 -6.412 4.629 831 HA GLU 109 HA GLU 109 -4.084 -7.490 4.819 832 HB2 GLU 109 HB2 GLU 109 -6.029 -8.578 5.900 833 HB3 GLU 109 HB3 GLU 109 -6.686 -8.954 4.311 834 HG2 GLU 109 HG2 GLU 109 -4.805 -10.380 3.826 835 HG3 GLU 109 HG3 GLU 109 -4.040 -9.940 5.350 836 H LEU 110 H LEU 110 -6.532 -7.317 2.302 837 HA LEU 110 HA LEU 110 -5.040 -8.697 0.305 838 HB2 LEU 110 HB2 LEU 110 -7.623 -7.894 0.544 839 HB3 LEU 110 HB3 LEU 110 -7.012 -6.643 -0.518 840 HG LEU 110 HG LEU 110 -8.035 -8.413 -1.818 841 HD11 LEU 110 HD11 LEU 110 -6.133 -7.317 -2.845 842 HD12 LEU 110 HD12 LEU 110 -5.030 -8.455 -2.071 843 HD13 LEU 110 HD13 LEU 110 -6.171 -9.022 -3.293 844 HD21 LEU 110 HD21 LEU 110 -6.051 -10.240 -0.479 845 HD22 LEU 110 HD22 LEU 110 -7.801 -10.240 -0.255 846 HD23 LEU 110 HD23 LEU 110 -7.112 -10.685 -1.816 847 H LEU 111 H LEU 111 -4.993 -5.553 1.631 848 HA LEU 111 HA LEU 111 -3.987 -4.032 -0.489 849 HB2 LEU 111 HB2 LEU 111 -4.883 -3.162 1.664 850 HB3 LEU 111 HB3 LEU 111 -3.419 -3.709 2.457 851 HG LEU 111 HG LEU 111 -2.099 -2.148 1.105 852 HD11 LEU 111 HD11 LEU 111 -4.760 -1.217 0.036 853 HD12 LEU 111 HD12 LEU 111 -3.184 -0.507 -0.312 854 HD13 LEU 111 HD13 LEU 111 -3.561 -2.133 -0.875 855 HD21 LEU 111 HD21 LEU 111 -2.966 -1.442 3.286 856 HD22 LEU 111 HD22 LEU 111 -2.888 -0.088 2.157 857 HD23 LEU 111 HD23 LEU 111 -4.437 -0.855 2.510 858 H ARG 112 H ARG 112 -2.490 -6.312 1.655 859 HA ARG 112 HA ARG 112 0.182 -5.747 0.624 860 HB2 ARG 112 HB2 ARG 112 -0.618 -8.066 2.378 861 HB3 ARG 112 HB3 ARG 112 0.973 -7.345 2.196 862 HG2 ARG 112 HG2 ARG 112 -1.402 -6.051 3.521 863 HG3 ARG 112 HG3 ARG 112 -0.030 -6.787 4.348 864 HD2 ARG 112 HD2 ARG 112 1.467 -5.141 3.359 865 HD3 ARG 112 HD3 ARG 112 0.118 -4.428 2.473 866 HE ARG 112 HE ARG 112 -0.667 -4.324 5.085 867 HH11 ARG 112 HH11 ARG 112 2.127 -3.141 3.310 868 HH12 ARG 112 HH12 ARG 112 2.385 -1.803 4.390 869 HH21 ARG 112 HH21 ARG 112 -0.337 -2.562 6.475 870 HH22 ARG 112 HH22 ARG 112 0.980 -1.459 6.174 871 H ALA 113 H ALA 113 -0.697 -6.185 -1.571 872 HA ALA 113 HA ALA 113 -1.858 -8.744 -2.114 873 HB1 ALA 113 HB1 ALA 113 -1.144 -6.537 -4.033 874 HB2 ALA 113 HB2 ALA 113 -2.203 -7.912 -4.354 875 HB3 ALA 113 HB3 ALA 113 -2.675 -6.693 -3.171 876 H GLN 114 H GLN 114 0.011 -10.094 -1.554 877 HA GLN 114 HA GLN 114 1.650 -10.436 -3.950 878 HB2 GLN 114 HB2 GLN 114 2.050 -11.176 -1.130 879 HB3 GLN 114 HB3 GLN 114 2.530 -12.400 -2.304 880 HG2 GLN 114 HG2 GLN 114 3.832 -10.659 -3.480 881 HG3 GLN 114 HG3 GLN 114 3.463 -9.559 -2.168 882 HE21 GLN 114 HE21 GLN 114 6.026 -10.599 -3.139 883 HE22 GLN 114 HE22 GLN 114 6.785 -11.341 -1.767 884 H GLU 115 H GLU 115 1.542 -12.272 -5.152 885 HA GLU 115 HA GLU 115 -1.119 -13.464 -4.992 886 HB2 GLU 115 HB2 GLU 115 0.871 -13.607 -7.247 887 HB3 GLU 115 HB3 GLU 115 -0.834 -14.027 -7.322 888 HG2 GLU 115 HG2 GLU 115 -1.405 -11.676 -6.865 889 HG3 GLU 115 HG3 GLU 115 0.313 -11.279 -6.874 890 H ALA 116 H ALA 116 1.087 -14.344 -3.337 891 HA ALA 116 HA ALA 116 2.133 -16.204 -2.551 892 HB1 ALA 116 HB1 ALA 116 -0.108 -17.624 -3.988 893 HB2 ALA 116 HB2 ALA 116 0.903 -18.300 -2.711 894 HB3 ALA 116 HB3 ALA 116 -0.188 -16.961 -2.356 895 HA PRO 117 HA PRO 117 4.500 -16.748 -6.439 896 HB2 PRO 117 HB2 PRO 117 6.760 -16.888 -4.559 897 HB3 PRO 117 HB3 PRO 117 6.505 -15.805 -5.930 898 HG2 PRO 117 HG2 PRO 117 6.351 -14.927 -3.403 899 HG3 PRO 117 HG3 PRO 117 5.294 -14.288 -4.675 900 HD2 PRO 117 HD2 PRO 117 4.686 -16.319 -2.555 901 HD3 PRO 117 HD3 PRO 117 3.692 -14.963 -3.131 902 H GLY 118 H GLY 118 3.383 -18.906 -6.368 903 HA2 GLY 118 HA2 GLY 118 4.406 -21.036 -7.115 904 HA3 GLY 118 HA3 GLY 118 5.336 -20.996 -5.623 905 H GLN 119 H GLN 119 2.902 -22.558 -7.026 906 HA GLN 119 HA GLN 119 1.063 -22.635 -4.796 907 HB2 GLN 119 HB2 GLN 119 0.210 -22.862 -7.074 908 HB3 GLN 119 HB3 GLN 119 1.196 -24.297 -7.316 909 HG2 GLN 119 HG2 GLN 119 -0.069 -25.471 -5.595 910 HG3 GLN 119 HG3 GLN 119 -1.049 -24.031 -5.325 911 HE21 GLN 119 HE21 GLN 119 -1.120 -23.359 -8.161 912 HE22 GLN 119 HE22 GLN 119 -2.217 -24.475 -8.895 913 H ALA 120 H ALA 120 1.737 -23.611 -3.010 914 HA ALA 120 HA ALA 120 2.846 -26.323 -3.267 915 HB1 ALA 120 HB1 ALA 120 4.366 -25.897 -1.404 916 HB2 ALA 120 HB2 ALA 120 4.682 -24.796 -2.744 917 HB3 ALA 120 HB3 ALA 120 3.809 -24.225 -1.323 918 H1 GLN 1 HT1 GLN 1 -19.489 22.580 -1.849 919 H2 GLN 1 HT2 GLN 1 -18.076 23.516 -1.768 920 H3 GLN 1 HT3 GLN 1 -19.588 24.257 -1.627 921 HA GLN 1 HA GLN 1 -18.549 24.094 0.523 922 HB2 GLN 1 HB2 GLN 1 -20.755 22.036 0.364 923 HB3 GLN 1 HB3 GLN 1 -20.365 23.094 1.716 924 HG2 GLN 1 HG2 GLN 1 -21.034 25.029 0.318 925 HG3 GLN 1 HG3 GLN 1 -21.550 23.895 -0.930 926 HE21 GLN 1 HE21 GLN 1 -23.300 22.489 -0.479 927 HE22 GLN 1 HE22 GLN 1 -24.478 22.902 0.728 928 H ASP 2 H ASP 2 -16.534 22.860 -0.403 929 HA ASP 2 HA ASP 2 -16.356 20.312 1.006 930 HB2 ASP 2 HB2 ASP 2 -15.372 19.162 -0.920 931 HB3 ASP 2 HB3 ASP 2 -17.001 19.712 -1.298 932 H THR 3 H THR 3 -14.014 19.476 0.756 933 HA THR 3 HA THR 3 -12.172 21.765 0.965 934 HB THR 3 HB THR 3 -11.847 19.093 2.348 935 HG1 THR 3 HG1 THR 3 -13.004 21.525 3.308 936 HG21 THR 3 HG21 THR 3 -10.582 21.797 2.813 937 HG22 THR 3 HG22 THR 3 -10.281 20.345 3.767 938 HG23 THR 3 HG23 THR 3 -9.799 20.403 2.069 939 H ARG 4 H ARG 4 -11.062 21.797 -0.925 940 HA ARG 4 HA ARG 4 -10.545 19.364 -2.383 941 HB2 ARG 4 HB2 ARG 4 -11.010 21.655 -3.427 942 HB3 ARG 4 HB3 ARG 4 -9.358 22.071 -2.986 943 HG2 ARG 4 HG2 ARG 4 -9.092 19.644 -4.275 944 HG3 ARG 4 HG3 ARG 4 -10.351 20.468 -5.194 945 HD2 ARG 4 HD2 ARG 4 -8.282 21.035 -6.199 946 HD3 ARG 4 HD3 ARG 4 -8.816 22.458 -5.307 947 HE ARG 4 HE ARG 4 -7.122 20.844 -3.709 948 HH11 ARG 4 HH11 ARG 4 -7.013 23.100 -6.399 949 HH12 ARG 4 HH12 ARG 4 -5.386 23.607 -6.049 950 HH21 ARG 4 HH21 ARG 4 -5.015 21.487 -3.265 951 HH22 ARG 4 HH22 ARG 4 -4.248 22.696 -4.262 952 H LEU 5 H LEU 5 -8.711 18.222 -2.435 953 HA LEU 5 HA LEU 5 -6.568 18.905 -0.623 954 HB2 LEU 5 HB2 LEU 5 -7.172 16.567 -2.401 955 HB3 LEU 5 HB3 LEU 5 -5.569 16.769 -1.740 956 HG LEU 5 HG LEU 5 -6.775 15.235 -0.357 957 HD11 LEU 5 HD11 LEU 5 -5.279 16.729 0.813 958 HD12 LEU 5 HD12 LEU 5 -6.562 17.930 0.970 959 HD13 LEU 5 HD13 LEU 5 -6.694 16.386 1.812 960 HD21 LEU 5 HD21 LEU 5 -8.850 15.817 0.776 961 HD22 LEU 5 HD22 LEU 5 -8.871 17.381 -0.040 962 HD23 LEU 5 HD23 LEU 5 -9.048 15.895 -0.974 Start of MODEL 19 1 H1 GLY 4 HT1 GLY 4 -23.877 -21.495 -7.710 2 H2 GLY 4 HT2 GLY 4 -24.571 -21.489 -9.257 3 H3 GLY 4 HT3 GLY 4 -25.235 -20.530 -8.024 4 HA2 GLY 4 HA3 GLY 4 -22.556 -20.186 -9.253 5 HA3 GLY 4 HA2 GLY 4 -23.964 -19.179 -9.560 6 H ILE 5 H ILE 5 -21.158 -19.394 -7.836 7 HA ILE 5 HA ILE 5 -22.191 -17.756 -5.627 8 HB ILE 5 HB ILE 5 -19.998 -18.069 -4.559 9 HG12 ILE 5 HG12 ILE 5 -18.684 -20.099 -5.690 10 HG13 ILE 5 HG13 ILE 5 -19.376 -19.395 -7.148 11 HG21 ILE 5 HG21 ILE 5 -21.316 -20.639 -5.409 12 HG22 ILE 5 HG22 ILE 5 -20.236 -20.444 -4.028 13 HG23 ILE 5 HG23 ILE 5 -21.793 -19.614 -4.055 14 HD11 ILE 5 HD11 ILE 5 -17.624 -17.975 -5.155 15 HD12 ILE 5 HD12 ILE 5 -17.146 -18.548 -6.753 16 HD13 ILE 5 HD13 ILE 5 -18.334 -17.253 -6.599 17 H ASP 6 H ASP 6 -20.661 -15.946 -4.962 18 HA ASP 6 HA ASP 6 -20.225 -14.336 -7.365 19 HB2 ASP 6 HB2 ASP 6 -20.444 -13.504 -4.466 20 HB3 ASP 6 HB3 ASP 6 -20.249 -12.404 -5.826 21 HA PRO 7 HA PRO 7 -15.813 -14.340 -6.697 22 HB2 PRO 7 HB2 PRO 7 -15.173 -12.149 -8.132 23 HB3 PRO 7 HB3 PRO 7 -15.674 -13.657 -8.911 24 HG2 PRO 7 HG2 PRO 7 -17.270 -11.195 -8.333 25 HG3 PRO 7 HG3 PRO 7 -17.229 -12.171 -9.812 26 HD2 PRO 7 HD2 PRO 7 -19.198 -12.396 -7.953 27 HD3 PRO 7 HD3 PRO 7 -18.661 -13.764 -8.946 28 H PHE 8 H PHE 8 -14.247 -13.138 -5.525 29 HA PHE 8 HA PHE 8 -15.454 -11.452 -3.542 30 HB2 PHE 8 HB2 PHE 8 -13.371 -11.522 -2.353 31 HB3 PHE 8 HB3 PHE 8 -13.737 -13.140 -2.925 32 HD1 PHE 8 HD1 PHE 8 -12.601 -13.712 -5.281 33 HD2 PHE 8 HD2 PHE 8 -11.242 -10.763 -2.526 34 HE1 PHE 8 HE1 PHE 8 -10.344 -13.858 -6.243 35 HE2 PHE 8 HE2 PHE 8 -8.985 -10.903 -3.483 36 HZ PHE 8 HZ PHE 8 -8.530 -12.451 -5.349 37 H THR 9 H THR 9 -16.015 -9.557 -4.204 38 HA THR 9 HA THR 9 -14.474 -7.940 -6.021 39 HB THR 9 HB THR 9 -16.270 -6.252 -5.438 40 HG1 THR 9 HG1 THR 9 -17.732 -6.767 -3.955 41 HG21 THR 9 HG21 THR 9 -16.521 -7.616 -7.393 42 HG22 THR 9 HG22 THR 9 -17.050 -8.987 -6.417 43 HG23 THR 9 HG23 THR 9 -18.074 -7.555 -6.560 44 H MET 10 H MET 10 -13.837 -8.743 -3.084 45 HA MET 10 HA MET 10 -13.493 -6.144 -1.843 46 HB2 MET 10 HB2 MET 10 -14.295 -8.420 -0.751 47 HB3 MET 10 HB3 MET 10 -12.567 -8.679 -0.565 48 HG2 MET 10 HG2 MET 10 -12.337 -6.724 0.767 49 HG3 MET 10 HG3 MET 10 -13.990 -6.226 0.419 50 HE1 MET 10 HE1 MET 10 -14.664 -5.889 2.913 51 HE2 MET 10 HE2 MET 10 -14.282 -7.038 4.194 52 HE3 MET 10 HE3 MET 10 -12.982 -6.208 3.336 53 H LEU 11 H LEU 11 -11.927 -5.355 -3.279 54 HA LEU 11 HA LEU 11 -9.239 -6.002 -2.461 55 HB2 LEU 11 HB2 LEU 11 -8.339 -6.435 -4.636 56 HB3 LEU 11 HB3 LEU 11 -9.655 -7.549 -4.354 57 HG LEU 11 HG LEU 11 -9.659 -5.154 -6.189 58 HD11 LEU 11 HD11 LEU 11 -10.015 -6.807 -7.922 59 HD12 LEU 11 HD12 LEU 11 -8.540 -7.163 -7.022 60 HD13 LEU 11 HD13 LEU 11 -10.007 -8.097 -6.717 61 HD21 LEU 11 HD21 LEU 11 -11.818 -5.456 -4.945 62 HD22 LEU 11 HD22 LEU 11 -11.929 -5.574 -6.709 63 HD23 LEU 11 HD23 LEU 11 -11.951 -7.038 -5.723 64 HA PRO 12 HA PRO 12 -10.444 -1.457 -2.996 65 HB2 PRO 12 HB2 PRO 12 -8.747 -1.517 -0.548 66 HB3 PRO 12 HB3 PRO 12 -10.219 -0.595 -0.878 67 HG2 PRO 12 HG2 PRO 12 -10.263 -2.758 0.689 68 HG3 PRO 12 HG3 PRO 12 -11.604 -2.386 -0.408 69 HD2 PRO 12 HD2 PRO 12 -9.485 -4.461 -0.651 70 HD3 PRO 12 HD3 PRO 12 -11.164 -4.490 -1.229 71 H ARG 13 H ARG 13 -9.131 0.145 -3.731 72 HA ARG 13 HA ARG 13 -6.484 -0.744 -4.581 73 HB2 ARG 13 HB2 ARG 13 -6.672 1.211 -6.161 74 HB3 ARG 13 HB3 ARG 13 -7.871 -0.053 -6.394 75 HG2 ARG 13 HG2 ARG 13 -9.435 1.351 -4.980 76 HG3 ARG 13 HG3 ARG 13 -8.251 2.649 -5.136 77 HD2 ARG 13 HD2 ARG 13 -8.509 2.709 -7.502 78 HD3 ARG 13 HD3 ARG 13 -9.466 1.227 -7.495 79 HE ARG 13 HE ARG 13 -10.354 3.889 -6.642 80 HH11 ARG 13 HH11 ARG 13 -11.074 0.517 -7.300 81 HH12 ARG 13 HH12 ARG 13 -12.796 0.746 -7.213 82 HH21 ARG 13 HH21 ARG 13 -12.624 4.189 -6.535 83 HH22 ARG 13 HH22 ARG 13 -13.676 2.814 -6.780 84 H LEU 14 H LEU 14 -4.686 0.073 -3.739 85 HA LEU 14 HA LEU 14 -4.829 2.428 -2.029 86 HB2 LEU 14 HB2 LEU 14 -3.468 0.482 -1.327 87 HB3 LEU 14 HB3 LEU 14 -2.470 0.682 -2.755 88 HG LEU 14 HG LEU 14 -1.810 2.939 -1.904 89 HD11 LEU 14 HD11 LEU 14 -3.244 2.031 0.584 90 HD12 LEU 14 HD12 LEU 14 -2.221 3.461 0.443 91 HD13 LEU 14 HD13 LEU 14 -3.727 3.361 -0.470 92 HD21 LEU 14 HD21 LEU 14 -1.216 0.614 -0.080 93 HD22 LEU 14 HD22 LEU 14 -0.373 0.995 -1.582 94 HD23 LEU 14 HD23 LEU 14 -0.271 2.097 -0.209 95 H CYS 15 H CYS 15 -4.786 4.322 -2.997 96 HA CYS 15 HA CYS 15 -3.443 4.558 -5.595 97 HB2 CYS 15 HB2 CYS 15 -5.516 6.337 -4.294 98 HB3 CYS 15 HB3 CYS 15 -4.845 6.554 -5.907 99 HG CYS 15 HG CYS 15 -6.022 4.397 -7.051 100 H CYS 16 H CYS 16 -1.501 5.462 -5.587 101 HA CYS 16 HA CYS 16 -0.756 7.231 -3.384 102 HB2 CYS 16 HB2 CYS 16 0.991 6.326 -5.672 103 HB3 CYS 16 HB3 CYS 16 1.503 6.976 -4.119 104 HG CYS 16 HG CYS 16 0.704 3.839 -4.954 105 H LEU 17 H LEU 17 -1.408 9.241 -3.637 106 HA LEU 17 HA LEU 17 -1.584 10.434 -6.288 107 HB2 LEU 17 HB2 LEU 17 -2.460 11.350 -3.552 108 HB3 LEU 17 HB3 LEU 17 -2.523 12.398 -4.954 109 HG LEU 17 HG LEU 17 -4.026 10.670 -6.035 110 HD11 LEU 17 HD11 LEU 17 -4.199 9.608 -3.224 111 HD12 LEU 17 HD12 LEU 17 -5.198 9.118 -4.596 112 HD13 LEU 17 HD13 LEU 17 -3.467 8.778 -4.600 113 HD21 LEU 17 HD21 LEU 17 -4.978 12.032 -3.526 114 HD22 LEU 17 HD22 LEU 17 -4.883 12.746 -5.134 115 HD23 LEU 17 HD23 LEU 17 -6.011 11.426 -4.821 116 H GLU 18 H GLU 18 -0.325 12.074 -7.001 117 HA GLU 18 HA GLU 18 2.067 12.624 -5.383 118 HB2 GLU 18 HB2 GLU 18 2.382 11.381 -7.527 119 HB3 GLU 18 HB3 GLU 18 1.751 12.777 -8.386 120 HG2 GLU 18 HG2 GLU 18 3.604 14.128 -7.591 121 HG3 GLU 18 HG3 GLU 18 4.227 12.752 -6.680 122 H LYS 19 H LYS 19 2.623 14.648 -4.920 123 HA LYS 19 HA LYS 19 0.818 16.770 -5.063 124 HB2 LYS 19 HB2 LYS 19 2.665 16.554 -3.424 125 HB3 LYS 19 HB3 LYS 19 3.822 16.873 -4.705 126 HG2 LYS 19 HG2 LYS 19 3.452 18.838 -3.325 127 HG3 LYS 19 HG3 LYS 19 2.921 19.111 -4.983 128 HD2 LYS 19 HD2 LYS 19 1.371 19.998 -3.231 129 HD3 LYS 19 HD3 LYS 19 0.629 18.880 -4.375 130 HE2 LYS 19 HE2 LYS 19 -0.110 18.435 -2.104 131 HE3 LYS 19 HE3 LYS 19 0.805 17.080 -2.751 132 HZ1 LYS 19 HZ1 LYS 19 1.730 19.091 -0.765 133 HZ2 LYS 19 HZ2 LYS 19 1.502 17.428 -0.528 134 HZ3 LYS 19 HZ3 LYS 19 2.763 17.972 -1.516 135 H GLY 20 H GLY 20 0.083 17.424 -6.973 136 HA2 GLY 20 HA2 GLY 20 1.866 17.701 -9.252 137 HA3 GLY 20 HA3 GLY 20 0.123 17.922 -9.257 138 HA PRO 21 HA PRO 21 1.355 22.179 -9.939 139 HB2 PRO 21 HB2 PRO 21 -1.256 23.125 -9.773 140 HB3 PRO 21 HB3 PRO 21 -0.454 22.581 -11.247 141 HG2 PRO 21 HG2 PRO 21 -2.362 21.133 -9.479 142 HG3 PRO 21 HG3 PRO 21 -2.191 21.070 -11.243 143 HD2 PRO 21 HD2 PRO 21 -1.280 19.099 -9.651 144 HD3 PRO 21 HD3 PRO 21 -0.439 19.565 -11.144 145 H ASN 22 H ASN 22 -1.381 21.722 -7.677 146 HA ASN 22 HA ASN 22 0.170 22.995 -5.574 147 HB2 ASN 22 HB2 ASN 22 -1.501 24.535 -7.120 148 HB3 ASN 22 HB3 ASN 22 -2.540 24.100 -5.765 149 HD21 ASN 22 HD21 ASN 22 0.452 25.576 -6.699 150 HD22 ASN 22 HD22 ASN 22 0.675 26.523 -5.262 151 H GLY 23 H GLY 23 -0.753 20.315 -5.902 152 HA2 GLY 23 HA2 GLY 23 -1.743 19.497 -3.560 153 HA3 GLY 23 HA3 GLY 23 -3.204 20.051 -4.371 154 H TYR 24 H TYR 24 -4.219 18.138 -4.708 155 HA TYR 24 HA TYR 24 -2.762 16.176 -6.364 156 HB2 TYR 24 HB2 TYR 24 -4.911 15.538 -4.335 157 HB3 TYR 24 HB3 TYR 24 -3.958 14.383 -5.266 158 HD1 TYR 24 HD1 TYR 24 -1.349 14.616 -4.965 159 HD2 TYR 24 HD2 TYR 24 -4.234 16.034 -2.181 160 HE1 TYR 24 HE1 TYR 24 0.361 14.614 -3.204 161 HE2 TYR 24 HE2 TYR 24 -2.534 16.026 -0.405 162 HH TYR 24 HH TYR 24 -0.411 14.975 0.108 163 H GLY 25 H GLY 25 -5.632 18.036 -5.825 164 HA2 GLY 25 HA2 GLY 25 -6.845 18.868 -7.673 165 HA3 GLY 25 HA3 GLY 25 -6.323 17.483 -8.616 166 H PHE 26 H PHE 26 -7.748 17.164 -5.401 167 HA PHE 26 HA PHE 26 -10.295 16.487 -6.679 168 HB2 PHE 26 HB2 PHE 26 -10.560 14.450 -5.439 169 HB3 PHE 26 HB3 PHE 26 -9.025 14.379 -6.293 170 HD1 PHE 26 HD1 PHE 26 -6.902 14.833 -4.977 171 HD2 PHE 26 HD2 PHE 26 -10.678 14.161 -3.135 172 HE1 PHE 26 HE1 PHE 26 -5.768 14.260 -2.868 173 HE2 PHE 26 HE2 PHE 26 -9.553 13.594 -1.023 174 HZ PHE 26 HZ PHE 26 -7.096 13.643 -0.886 175 H HIS 27 H HIS 27 -12.112 16.594 -5.338 176 HA HIS 27 HA HIS 27 -11.754 18.302 -2.970 177 HB2 HIS 27 HB2 HIS 27 -14.104 17.830 -4.807 178 HB3 HIS 27 HB3 HIS 27 -14.284 18.618 -3.245 179 HD1 HIS 27 HD1 HIS 27 -14.278 21.052 -3.386 180 HD2 HIS 27 HD2 HIS 27 -12.021 19.333 -6.434 181 HE1 HIS 27 HE1 HIS 27 -13.469 22.970 -4.802 182 HE2 HIS 27 HE2 HIS 27 -12.000 21.925 -6.563 183 H LEU 28 H LEU 28 -12.173 17.467 -0.998 184 HA LEU 28 HA LEU 28 -13.737 14.971 -0.915 185 HB2 LEU 28 HB2 LEU 28 -11.230 14.850 -0.347 186 HB3 LEU 28 HB3 LEU 28 -11.645 15.723 1.114 187 HG LEU 28 HG LEU 28 -13.008 13.131 0.428 188 HD11 LEU 28 HD11 LEU 28 -10.447 13.446 1.986 189 HD12 LEU 28 HD12 LEU 28 -11.362 11.955 1.759 190 HD13 LEU 28 HD13 LEU 28 -10.588 12.733 0.379 191 HD21 LEU 28 HD21 LEU 28 -13.270 13.002 2.867 192 HD22 LEU 28 HD22 LEU 28 -12.462 14.562 3.026 193 HD23 LEU 28 HD23 LEU 28 -14.015 14.455 2.198 194 H HIS 29 H HIS 29 -15.551 15.064 0.262 195 HA HIS 29 HA HIS 29 -15.899 17.442 1.967 196 HB2 HIS 29 HB2 HIS 29 -18.251 17.436 1.468 197 HB3 HIS 29 HB3 HIS 29 -17.373 17.369 -0.052 198 HD1 HIS 29 HD1 HIS 29 -20.046 15.724 1.789 199 HD2 HIS 29 HD2 HIS 29 -17.355 14.663 -1.204 200 HE1 HIS 29 HE1 HIS 29 -20.984 13.649 0.736 201 HE2 HIS 29 HE2 HIS 29 -19.418 13.100 -1.161 202 H GLY 30 H GLY 30 -16.713 17.235 3.985 203 HA2 GLY 30 HA2 GLY 30 -17.364 14.510 4.916 204 HA3 GLY 30 HA3 GLY 30 -16.258 15.534 5.830 205 H GLU 31 H GLU 31 -19.183 14.412 6.113 206 HA GLU 31 HA GLU 31 -20.372 16.987 6.883 207 HB2 GLU 31 HB2 GLU 31 -21.825 14.700 5.538 208 HB3 GLU 31 HB3 GLU 31 -22.534 16.231 6.035 209 HG2 GLU 31 HG2 GLU 31 -21.041 17.399 4.450 210 HG3 GLU 31 HG3 GLU 31 -20.436 15.830 3.912 211 H LYS 32 H LYS 32 -20.744 17.055 8.915 212 HA LYS 32 HA LYS 32 -21.258 16.639 11.044 213 HB2 LYS 32 HB2 LYS 32 -23.259 15.422 11.532 214 HB3 LYS 32 HB3 LYS 32 -23.479 16.342 10.057 215 HG2 LYS 32 HG2 LYS 32 -23.149 14.291 8.751 216 HG3 LYS 32 HG3 LYS 32 -22.973 13.382 10.253 217 HD2 LYS 32 HD2 LYS 32 -25.412 14.989 9.503 218 HD3 LYS 32 HD3 LYS 32 -25.250 13.247 9.269 219 HE2 LYS 32 HE2 LYS 32 -24.999 12.915 11.649 220 HE3 LYS 32 HE3 LYS 32 -25.026 14.656 11.925 221 HZ1 LYS 32 HZ1 LYS 32 -27.286 14.740 11.151 222 HZ2 LYS 32 HZ2 LYS 32 -27.270 13.089 10.776 223 HZ3 LYS 32 HZ3 LYS 32 -27.166 13.590 12.390 224 H GLY 33 H GLY 33 -20.554 15.649 12.779 225 HA2 GLY 33 HA2 GLY 33 -19.547 14.087 14.121 226 HA3 GLY 33 HA3 GLY 33 -20.172 12.858 13.033 227 H LYS 34 H LYS 34 -18.541 11.567 12.585 228 HA LYS 34 HA LYS 34 -15.991 12.764 11.713 229 HB2 LYS 34 HB2 LYS 34 -16.272 10.130 13.171 230 HB3 LYS 34 HB3 LYS 34 -14.782 10.966 12.761 231 HG2 LYS 34 HG2 LYS 34 -15.293 12.726 14.335 232 HG3 LYS 34 HG3 LYS 34 -16.850 11.977 14.700 233 HD2 LYS 34 HD2 LYS 34 -15.552 9.926 15.404 234 HD3 LYS 34 HD3 LYS 34 -14.096 10.917 15.295 235 HE2 LYS 34 HE2 LYS 34 -14.842 10.894 17.576 236 HE3 LYS 34 HE3 LYS 34 -15.116 12.502 16.908 237 HZ1 LYS 34 HZ1 LYS 34 -17.002 11.715 18.214 238 HZ2 LYS 34 HZ2 LYS 34 -17.437 11.956 16.594 239 HZ3 LYS 34 HZ3 LYS 34 -17.186 10.385 17.178 240 H LEU 35 H LEU 35 -18.001 9.848 11.649 241 HA LEU 35 HA LEU 35 -16.653 8.639 9.469 242 HB2 LEU 35 HB2 LEU 35 -19.472 8.135 10.412 243 HB3 LEU 35 HB3 LEU 35 -18.491 7.062 9.438 244 HG LEU 35 HG LEU 35 -17.910 7.817 12.301 245 HD11 LEU 35 HD11 LEU 35 -18.587 5.523 12.803 246 HD12 LEU 35 HD12 LEU 35 -19.911 6.453 12.102 247 HD13 LEU 35 HD13 LEU 35 -19.032 5.287 11.113 248 HD21 LEU 35 HD21 LEU 35 -15.890 7.299 11.039 249 HD22 LEU 35 HD22 LEU 35 -16.257 6.017 12.194 250 HD23 LEU 35 HD23 LEU 35 -16.615 5.790 10.481 251 H GLY 36 H GLY 36 -16.695 9.285 7.437 252 HA2 GLY 36 HA2 GLY 36 -18.507 9.273 5.596 253 HA3 GLY 36 HA3 GLY 36 -19.082 10.694 6.453 254 H GLN 37 H GLN 37 -15.998 9.451 5.145 255 HA GLN 37 HA GLN 37 -15.467 12.146 4.089 256 HB2 GLN 37 HB2 GLN 37 -13.505 9.856 4.292 257 HB3 GLN 37 HB3 GLN 37 -13.140 11.546 3.988 258 HG2 GLN 37 HG2 GLN 37 -14.167 10.364 6.556 259 HG3 GLN 37 HG3 GLN 37 -12.537 10.949 6.242 260 HE21 GLN 37 HE21 GLN 37 -14.490 11.734 8.258 261 HE22 GLN 37 HE22 GLN 37 -14.731 13.432 8.057 262 H TYR 38 H TYR 38 -15.973 12.395 2.000 263 HA TYR 38 HA TYR 38 -15.644 10.101 0.186 264 HB2 TYR 38 HB2 TYR 38 -18.037 11.953 0.209 265 HB3 TYR 38 HB3 TYR 38 -17.771 10.618 -0.902 266 HD1 TYR 38 HD2 TYR 38 -17.599 8.258 0.154 267 HD2 TYR 38 HD1 TYR 38 -19.262 11.623 2.166 268 HE1 TYR 38 HE2 TYR 38 -18.806 6.746 1.670 269 HE2 TYR 38 HE1 TYR 38 -20.473 10.117 3.689 270 HH TYR 38 HH TYR 38 -21.340 7.694 3.579 271 H ILE 39 H ILE 39 -15.087 10.592 -1.913 272 HA ILE 39 HA ILE 39 -13.984 13.196 -2.409 273 HB ILE 39 HB ILE 39 -14.436 11.038 -4.469 274 HG12 ILE 39 HG12 ILE 39 -13.265 10.018 -2.583 275 HG13 ILE 39 HG13 ILE 39 -12.168 10.214 -3.944 276 HG21 ILE 39 HG21 ILE 39 -12.423 13.271 -4.255 277 HG22 ILE 39 HG22 ILE 39 -12.465 12.060 -5.536 278 HG23 ILE 39 HG23 ILE 39 -13.798 13.200 -5.356 279 HD11 ILE 39 HD11 ILE 39 -12.314 11.970 -1.507 280 HD12 ILE 39 HD12 ILE 39 -11.075 10.767 -1.863 281 HD13 ILE 39 HD13 ILE 39 -11.225 12.204 -2.875 282 H ARG 40 H ARG 40 -14.864 14.829 -3.550 283 HA ARG 40 HA ARG 40 -17.727 14.560 -4.154 284 HB2 ARG 40 HB2 ARG 40 -17.035 16.204 -2.439 285 HB3 ARG 40 HB3 ARG 40 -16.070 17.036 -3.648 286 HG2 ARG 40 HG2 ARG 40 -18.114 18.224 -3.335 287 HG3 ARG 40 HG3 ARG 40 -18.142 17.471 -4.930 288 HD2 ARG 40 HD2 ARG 40 -19.683 15.853 -4.274 289 HD3 ARG 40 HD3 ARG 40 -19.342 16.093 -2.560 290 HE ARG 40 HE ARG 40 -20.347 18.491 -3.439 291 HH11 ARG 40 HH11 ARG 40 -21.468 15.179 -3.419 292 HH12 ARG 40 HH12 ARG 40 -23.137 15.600 -3.195 293 HH21 ARG 40 HH21 ARG 40 -22.549 19.072 -3.163 294 HH22 ARG 40 HH22 ARG 40 -23.753 17.826 -3.100 295 H LEU 41 H LEU 41 -14.693 15.790 -5.459 296 HA LEU 41 HA LEU 41 -15.697 15.581 -8.157 297 HB2 LEU 41 HB2 LEU 41 -16.492 17.812 -7.429 298 HB3 LEU 41 HB3 LEU 41 -14.839 18.265 -7.062 299 HG LEU 41 HG LEU 41 -14.264 17.997 -9.461 300 HD11 LEU 41 HD11 LEU 41 -16.045 17.796 -11.105 301 HD12 LEU 41 HD12 LEU 41 -16.007 16.380 -10.053 302 HD13 LEU 41 HD13 LEU 41 -17.236 17.623 -9.816 303 HD21 LEU 41 HD21 LEU 41 -16.547 19.881 -8.889 304 HD22 LEU 41 HD22 LEU 41 -14.844 20.185 -8.553 305 HD23 LEU 41 HD23 LEU 41 -15.399 20.023 -10.219 306 H VAL 42 H VAL 42 -14.050 15.378 -9.647 307 HA VAL 42 HA VAL 42 -11.311 15.542 -8.578 308 HB VAL 42 HB VAL 42 -12.354 13.479 -10.531 309 HG11 VAL 42 HG11 VAL 42 -10.037 14.022 -10.965 310 HG12 VAL 42 HG12 VAL 42 -9.640 13.811 -9.259 311 HG13 VAL 42 HG13 VAL 42 -10.149 12.426 -10.224 312 HG21 VAL 42 HG21 VAL 42 -11.511 13.146 -7.653 313 HG22 VAL 42 HG22 VAL 42 -13.171 13.101 -8.250 314 HG23 VAL 42 HG23 VAL 42 -12.021 11.859 -8.746 315 H GLU 43 H GLU 43 -9.906 16.679 -9.728 316 HA GLU 43 HA GLU 43 -10.723 18.170 -12.012 317 HB2 GLU 43 HB2 GLU 43 -9.210 19.142 -10.423 318 HB3 GLU 43 HB3 GLU 43 -8.086 17.804 -10.589 319 HG2 GLU 43 HG2 GLU 43 -7.590 18.496 -12.866 320 HG3 GLU 43 HG3 GLU 43 -8.726 19.834 -12.717 321 HA PRO 44 HA PRO 44 -9.789 15.256 -15.202 322 HB2 PRO 44 HB2 PRO 44 -9.259 17.037 -17.223 323 HB3 PRO 44 HB3 PRO 44 -10.884 16.580 -16.700 324 HG2 PRO 44 HG2 PRO 44 -9.267 18.992 -15.975 325 HG3 PRO 44 HG3 PRO 44 -10.991 18.881 -16.379 326 HD2 PRO 44 HD2 PRO 44 -10.163 19.091 -13.840 327 HD3 PRO 44 HD3 PRO 44 -11.558 18.081 -14.276 328 H GLY 45 H GLY 45 -7.548 17.841 -14.410 329 HA2 GLY 45 HA2 GLY 45 -5.369 16.339 -15.709 330 HA3 GLY 45 HA3 GLY 45 -5.316 18.043 -15.273 331 H SER 46 H SER 46 -6.560 15.587 -13.116 332 HA SER 46 HA SER 46 -4.451 16.324 -11.230 333 HB2 SER 46 HB2 SER 46 -5.910 15.430 -9.505 334 HB3 SER 46 HB3 SER 46 -6.835 16.527 -10.532 335 HG SER 46 HG SER 46 -7.913 14.865 -11.384 336 HA PRO 47 HA PRO 47 -2.583 12.247 -11.452 337 HB2 PRO 47 HB2 PRO 47 -1.426 12.253 -8.986 338 HB3 PRO 47 HB3 PRO 47 -0.748 13.114 -10.372 339 HG2 PRO 47 HG2 PRO 47 -2.412 14.166 -8.119 340 HG3 PRO 47 HG3 PRO 47 -0.970 14.874 -8.873 341 HD2 PRO 47 HD2 PRO 47 -3.462 15.719 -9.464 342 HD3 PRO 47 HD3 PRO 47 -2.160 15.694 -10.673 343 H ALA 48 H ALA 48 -4.902 13.383 -9.220 344 HA ALA 48 HA ALA 48 -5.284 11.132 -7.587 345 HB1 ALA 48 HB1 ALA 48 -7.482 12.094 -7.107 346 HB2 ALA 48 HB2 ALA 48 -6.216 13.321 -7.054 347 HB3 ALA 48 HB3 ALA 48 -7.284 13.218 -8.452 348 H GLU 49 H GLU 49 -6.952 12.124 -10.592 349 HA GLU 49 HA GLU 49 -8.633 9.841 -10.632 350 HB2 GLU 49 HB2 GLU 49 -9.243 10.539 -12.900 351 HB3 GLU 49 HB3 GLU 49 -9.272 11.890 -11.782 352 HG2 GLU 49 HG2 GLU 49 -8.203 12.928 -13.457 353 HG3 GLU 49 HG3 GLU 49 -6.784 12.166 -12.741 354 H LYS 50 H LYS 50 -5.439 10.478 -11.850 355 HA LYS 50 HA LYS 50 -5.292 8.117 -13.471 356 HB2 LYS 50 HB2 LYS 50 -3.109 9.912 -12.396 357 HB3 LYS 50 HB3 LYS 50 -2.865 8.622 -13.567 358 HG2 LYS 50 HG2 LYS 50 -4.422 9.782 -15.102 359 HG3 LYS 50 HG3 LYS 50 -4.520 11.106 -13.941 360 HD2 LYS 50 HD2 LYS 50 -1.982 10.148 -15.255 361 HD3 LYS 50 HD3 LYS 50 -2.930 11.538 -15.783 362 HE2 LYS 50 HE2 LYS 50 -2.594 12.542 -13.532 363 HE3 LYS 50 HE3 LYS 50 -1.524 11.197 -13.138 364 HZ1 LYS 50 HZ1 LYS 50 -0.235 13.076 -13.863 365 HZ2 LYS 50 HZ2 LYS 50 -0.128 11.854 -15.036 366 HZ3 LYS 50 HZ3 LYS 50 -1.129 13.196 -15.300 367 H ALA 51 H ALA 51 -4.699 8.916 -10.148 368 HA ALA 51 HA ALA 51 -3.149 6.631 -9.473 369 HB1 ALA 51 HB1 ALA 51 -3.197 8.671 -8.091 370 HB2 ALA 51 HB2 ALA 51 -4.877 8.329 -7.668 371 HB3 ALA 51 HB3 ALA 51 -3.598 7.225 -7.163 372 H GLY 52 H GLY 52 -6.473 7.124 -10.083 373 HA2 GLY 52 HA2 GLY 52 -7.846 5.137 -10.423 374 HA3 GLY 52 HA3 GLY 52 -7.068 4.437 -9.009 375 H LEU 53 H LEU 53 -7.493 7.570 -8.266 376 HA LEU 53 HA LEU 53 -9.651 7.089 -6.478 377 HB2 LEU 53 HB2 LEU 53 -7.703 8.736 -6.253 378 HB3 LEU 53 HB3 LEU 53 -8.615 9.780 -7.327 379 HG LEU 53 HG LEU 53 -10.510 9.325 -5.499 380 HD11 LEU 53 HD11 LEU 53 -9.168 7.853 -4.142 381 HD12 LEU 53 HD12 LEU 53 -7.900 9.072 -4.017 382 HD13 LEU 53 HD13 LEU 53 -9.472 9.352 -3.263 383 HD21 LEU 53 HD21 LEU 53 -8.270 11.328 -5.287 384 HD22 LEU 53 HD22 LEU 53 -9.753 11.497 -6.228 385 HD23 LEU 53 HD23 LEU 53 -9.828 11.448 -4.465 386 H LEU 54 H LEU 54 -11.785 7.248 -6.875 387 HA LEU 54 HA LEU 54 -12.600 8.563 -9.372 388 HB2 LEU 54 HB2 LEU 54 -14.034 6.510 -7.686 389 HB3 LEU 54 HB3 LEU 54 -14.689 7.245 -9.137 390 HG LEU 54 HG LEU 54 -12.228 5.501 -9.016 391 HD11 LEU 54 HD11 LEU 54 -13.623 3.892 -10.246 392 HD12 LEU 54 HD12 LEU 54 -14.252 4.230 -8.634 393 HD13 LEU 54 HD13 LEU 54 -15.008 4.965 -10.047 394 HD21 LEU 54 HD21 LEU 54 -12.104 7.209 -10.766 395 HD22 LEU 54 HD22 LEU 54 -12.295 5.595 -11.449 396 HD23 LEU 54 HD23 LEU 54 -13.674 6.693 -11.380 397 H ALA 55 H ALA 55 -14.494 9.840 -9.417 398 HA ALA 55 HA ALA 55 -14.684 11.631 -7.194 399 HB1 ALA 55 HB1 ALA 55 -16.314 12.825 -8.556 400 HB2 ALA 55 HB2 ALA 55 -14.885 12.413 -9.501 401 HB3 ALA 55 HB3 ALA 55 -16.369 11.477 -9.692 402 H GLY 56 H GLY 56 -15.328 10.019 -5.606 403 HA2 GLY 56 HA2 GLY 56 -17.786 10.219 -4.582 404 HA3 GLY 56 HA3 GLY 56 -18.030 8.965 -5.789 405 H ASP 57 H ASP 57 -14.981 8.411 -5.032 406 HA ASP 57 HA ASP 57 -15.513 6.117 -3.509 407 HB2 ASP 57 HB2 ASP 57 -12.942 7.578 -4.116 408 HB3 ASP 57 HB3 ASP 57 -12.986 6.086 -3.183 409 H ARG 58 H ARG 58 -14.964 5.593 -1.397 410 HA ARG 58 HA ARG 58 -14.926 7.869 0.455 411 HB2 ARG 58 HB2 ARG 58 -15.518 6.085 2.172 412 HB3 ARG 58 HB3 ARG 58 -16.745 6.444 0.968 413 HG2 ARG 58 HG2 ARG 58 -16.016 4.456 -0.306 414 HG3 ARG 58 HG3 ARG 58 -14.890 4.077 0.998 415 HD2 ARG 58 HD2 ARG 58 -17.843 4.419 1.444 416 HD3 ARG 58 HD3 ARG 58 -17.119 2.869 1.022 417 HE ARG 58 HE ARG 58 -15.763 3.934 3.242 418 HH11 ARG 58 HH11 ARG 58 -18.927 2.677 2.412 419 HH12 ARG 58 HH12 ARG 58 -19.180 1.948 3.963 420 HH21 ARG 58 HH21 ARG 58 -16.114 3.004 5.320 421 HH22 ARG 58 HH22 ARG 58 -17.596 2.131 5.605 422 H LEU 59 H LEU 59 -13.178 8.320 1.607 423 HA LEU 59 HA LEU 59 -10.796 6.729 1.242 424 HB2 LEU 59 HB2 LEU 59 -10.720 9.207 1.267 425 HB3 LEU 59 HB3 LEU 59 -11.236 9.192 2.941 426 HG LEU 59 HG LEU 59 -9.165 8.006 3.558 427 HD11 LEU 59 HD11 LEU 59 -8.756 6.853 1.454 428 HD12 LEU 59 HD12 LEU 59 -8.436 8.394 0.657 429 HD13 LEU 59 HD13 LEU 59 -7.354 7.814 1.923 430 HD21 LEU 59 HD21 LEU 59 -7.637 9.884 3.217 431 HD22 LEU 59 HD22 LEU 59 -8.728 10.552 2.004 432 HD23 LEU 59 HD23 LEU 59 -9.244 10.435 3.686 433 H VAL 60 H VAL 60 -10.663 4.903 2.376 434 HA VAL 60 HA VAL 60 -11.850 4.790 5.023 435 HB VAL 60 HB VAL 60 -11.288 2.363 4.959 436 HG11 VAL 60 HG11 VAL 60 -12.994 1.782 3.310 437 HG12 VAL 60 HG12 VAL 60 -13.474 3.192 4.254 438 HG13 VAL 60 HG13 VAL 60 -12.874 3.398 2.610 439 HG21 VAL 60 HG21 VAL 60 -10.590 1.352 2.852 440 HG22 VAL 60 HG22 VAL 60 -10.433 2.951 2.122 441 HG23 VAL 60 HG23 VAL 60 -9.363 2.475 3.442 442 H GLU 61 H GLU 61 -8.653 4.482 3.520 443 HA GLU 61 HA GLU 61 -7.467 4.879 6.163 444 HB2 GLU 61 HB2 GLU 61 -6.625 2.664 4.281 445 HB3 GLU 61 HB3 GLU 61 -5.862 3.059 5.816 446 HG2 GLU 61 HG2 GLU 61 -8.065 2.560 6.917 447 HG3 GLU 61 HG3 GLU 61 -8.612 1.934 5.363 448 H VAL 62 H VAL 62 -5.346 5.729 6.138 449 HA VAL 62 HA VAL 62 -4.360 6.558 3.487 450 HB VAL 62 HB VAL 62 -5.232 8.542 4.632 451 HG11 VAL 62 HG11 VAL 62 -4.192 9.366 6.695 452 HG12 VAL 62 HG12 VAL 62 -5.038 7.835 6.930 453 HG13 VAL 62 HG13 VAL 62 -3.277 7.864 6.817 454 HG21 VAL 62 HG21 VAL 62 -2.220 8.470 4.501 455 HG22 VAL 62 HG22 VAL 62 -3.328 8.879 3.190 456 HG23 VAL 62 HG23 VAL 62 -3.190 9.938 4.595 457 H ASN 63 H ASN 63 -2.382 5.934 3.037 458 HA ASN 63 HA ASN 63 -0.332 5.001 3.175 459 HB2 ASN 63 HB2 ASN 63 -0.476 6.177 5.933 460 HB3 ASN 63 HB3 ASN 63 0.871 5.141 5.479 461 HD21 ASN 63 HD21 ASN 63 -0.802 7.380 3.341 462 HD22 ASN 63 HD22 ASN 63 0.542 8.450 3.113 463 H GLY 64 H GLY 64 -1.678 4.212 6.402 464 HA2 GLY 64 HA2 GLY 64 -2.283 1.532 5.591 465 HA3 GLY 64 HA3 GLY 64 -0.810 1.604 6.544 466 H GLU 65 H GLU 65 -3.159 3.983 7.359 467 HA GLU 65 HA GLU 65 -4.227 2.254 9.480 468 HB2 GLU 65 HB2 GLU 65 -4.179 4.151 11.025 469 HB3 GLU 65 HB3 GLU 65 -2.570 3.760 10.439 470 HG2 GLU 65 HG2 GLU 65 -2.756 5.609 8.815 471 HG3 GLU 65 HG3 GLU 65 -4.310 6.036 9.533 472 H ASN 66 H ASN 66 -6.375 2.439 9.937 473 HA ASN 66 HA ASN 66 -8.047 3.533 7.901 474 HB2 ASN 66 HB2 ASN 66 -8.563 1.456 9.183 475 HB3 ASN 66 HB3 ASN 66 -8.835 2.444 10.612 476 HD21 ASN 66 HD21 ASN 66 -10.729 3.582 10.812 477 HD22 ASN 66 HD22 ASN 66 -12.054 3.406 9.710 478 H VAL 67 H VAL 67 -9.051 5.450 7.797 479 HA VAL 67 HA VAL 67 -8.745 7.224 10.135 480 HB VAL 67 HB VAL 67 -8.474 9.115 8.555 481 HG11 VAL 67 HG11 VAL 67 -6.434 6.909 8.306 482 HG12 VAL 67 HG12 VAL 67 -6.146 8.622 7.995 483 HG13 VAL 67 HG13 VAL 67 -6.550 8.078 9.624 484 HG21 VAL 67 HG21 VAL 67 -9.514 8.165 6.571 485 HG22 VAL 67 HG22 VAL 67 -7.848 8.625 6.218 486 HG23 VAL 67 HG23 VAL 67 -8.255 6.929 6.479 487 H GLU 68 H GLU 68 -11.059 5.617 8.682 488 HA GLU 68 HA GLU 68 -13.023 7.487 7.975 489 HB2 GLU 68 HB2 GLU 68 -13.461 4.866 9.416 490 HB3 GLU 68 HB3 GLU 68 -14.658 5.755 8.490 491 HG2 GLU 68 HG2 GLU 68 -13.374 5.360 6.451 492 HG3 GLU 68 HG3 GLU 68 -12.175 4.463 7.389 493 H LYS 69 H LYS 69 -11.728 6.595 11.039 494 HA LYS 69 HA LYS 69 -14.048 7.488 12.532 495 HB2 LYS 69 HB2 LYS 69 -11.431 6.668 13.750 496 HB3 LYS 69 HB3 LYS 69 -13.052 6.506 14.408 497 HG2 LYS 69 HG2 LYS 69 -11.943 4.919 12.099 498 HG3 LYS 69 HG3 LYS 69 -12.080 4.348 13.760 499 HD2 LYS 69 HD2 LYS 69 -14.495 4.515 13.654 500 HD3 LYS 69 HD3 LYS 69 -14.402 5.220 12.037 501 HE2 LYS 69 HE2 LYS 69 -13.397 3.163 11.188 502 HE3 LYS 69 HE3 LYS 69 -13.461 2.455 12.801 503 HZ1 LYS 69 HZ1 LYS 69 -15.282 1.711 11.374 504 HZ2 LYS 69 HZ2 LYS 69 -15.863 2.548 12.728 505 HZ3 LYS 69 HZ3 LYS 69 -15.826 3.307 11.207 506 H GLU 70 H GLU 70 -11.377 8.910 11.169 507 HA GLU 70 HA GLU 70 -10.839 10.869 13.221 508 HB2 GLU 70 HB2 GLU 70 -10.011 10.769 10.311 509 HB3 GLU 70 HB3 GLU 70 -9.386 11.889 11.513 510 HG2 GLU 70 HG2 GLU 70 -9.100 8.900 11.665 511 HG3 GLU 70 HG3 GLU 70 -7.883 9.990 11.007 512 H THR 71 H THR 71 -11.256 13.164 12.924 513 HA THR 71 HA THR 71 -13.821 13.703 11.789 514 HB THR 71 HB THR 71 -13.573 15.954 12.505 515 HG1 THR 71 HG1 THR 71 -11.355 16.597 13.311 516 HG21 THR 71 HG21 THR 71 -13.796 14.358 14.344 517 HG22 THR 71 HG22 THR 71 -12.040 14.215 14.440 518 HG23 THR 71 HG23 THR 71 -12.823 15.747 14.827 519 H HIS 72 H HIS 72 -14.191 15.362 10.091 520 HA HIS 72 HA HIS 72 -12.870 14.757 7.733 521 HB2 HIS 72 HB2 HIS 72 -15.072 15.789 7.754 522 HB3 HIS 72 HB3 HIS 72 -14.407 17.262 8.451 523 HD1 HIS 72 HD1 HIS 72 -13.829 15.185 5.299 524 HD2 HIS 72 HD2 HIS 72 -13.953 19.141 6.584 525 HE1 HIS 72 HE1 HIS 72 -13.445 16.589 3.240 526 HE2 HIS 72 HE2 HIS 72 -13.684 18.978 4.020 527 H GLN 73 H GLN 73 -12.265 17.374 10.020 528 HA GLN 73 HA GLN 73 -10.294 18.730 8.540 529 HB2 GLN 73 HB2 GLN 73 -11.275 19.804 10.444 530 HB3 GLN 73 HB3 GLN 73 -10.792 18.495 11.512 531 HG2 GLN 73 HG2 GLN 73 -9.289 20.175 12.013 532 HG3 GLN 73 HG3 GLN 73 -8.390 19.147 10.904 533 HE21 GLN 73 HE21 GLN 73 -9.909 20.204 8.574 534 HE22 GLN 73 HE22 GLN 73 -9.245 21.772 8.279 535 H GLN 74 H GLN 74 -10.045 16.117 10.937 536 HA GLN 74 HA GLN 74 -7.241 15.995 11.021 537 HB2 GLN 74 HB2 GLN 74 -9.271 13.810 11.511 538 HB3 GLN 74 HB3 GLN 74 -7.569 13.711 11.939 539 HG2 GLN 74 HG2 GLN 74 -9.544 15.700 13.028 540 HG3 GLN 74 HG3 GLN 74 -8.966 14.258 13.859 541 HE21 GLN 74 HE21 GLN 74 -8.788 17.091 14.573 542 HE22 GLN 74 HE22 GLN 74 -7.102 17.406 14.826 543 H VAL 75 H VAL 75 -9.595 14.191 9.082 544 HA VAL 75 HA VAL 75 -7.805 12.474 7.792 545 HB VAL 75 HB VAL 75 -10.394 13.573 6.677 546 HG11 VAL 75 HG11 VAL 75 -10.446 11.526 5.352 547 HG12 VAL 75 HG12 VAL 75 -8.998 12.470 4.998 548 HG13 VAL 75 HG13 VAL 75 -8.890 11.041 6.026 549 HG21 VAL 75 HG21 VAL 75 -10.736 12.582 8.873 550 HG22 VAL 75 HG22 VAL 75 -11.419 11.549 7.619 551 HG23 VAL 75 HG23 VAL 75 -9.880 11.125 8.366 552 H VAL 76 H VAL 76 -9.036 15.657 6.753 553 HA VAL 76 HA VAL 76 -7.664 15.663 4.277 554 HB VAL 76 HB VAL 76 -8.636 18.032 5.894 555 HG11 VAL 76 HG11 VAL 76 -7.970 17.860 2.954 556 HG12 VAL 76 HG12 VAL 76 -8.585 19.274 3.809 557 HG13 VAL 76 HG13 VAL 76 -6.977 18.652 4.179 558 HG21 VAL 76 HG21 VAL 76 -9.957 16.474 3.674 559 HG22 VAL 76 HG22 VAL 76 -10.435 16.490 5.371 560 HG23 VAL 76 HG23 VAL 76 -10.586 17.953 4.399 561 H SER 77 H SER 77 -6.789 16.767 7.506 562 HA SER 77 HA SER 77 -4.427 18.134 6.812 563 HB2 SER 77 HB2 SER 77 -5.086 16.688 9.392 564 HB3 SER 77 HB3 SER 77 -3.814 17.891 9.179 565 HG SER 77 HG SER 77 -6.622 18.253 9.033 566 H ARG 78 H ARG 78 -5.101 14.736 7.430 567 HA ARG 78 HA ARG 78 -2.414 13.855 7.508 568 HB2 ARG 78 HB2 ARG 78 -4.924 12.366 6.746 569 HB3 ARG 78 HB3 ARG 78 -3.365 11.613 7.047 570 HG2 ARG 78 HG2 ARG 78 -3.429 12.447 9.352 571 HG3 ARG 78 HG3 ARG 78 -5.024 13.138 9.044 572 HD2 ARG 78 HD2 ARG 78 -5.918 10.946 8.572 573 HD3 ARG 78 HD3 ARG 78 -4.321 10.227 8.748 574 HE ARG 78 HE ARG 78 -5.925 11.365 10.942 575 HH11 ARG 78 HH11 ARG 78 -3.225 9.454 9.826 576 HH12 ARG 78 HH12 ARG 78 -3.104 8.525 11.295 577 HH21 ARG 78 HH21 ARG 78 -5.735 10.193 12.912 578 HH22 ARG 78 HH22 ARG 78 -4.501 8.972 13.051 579 H ILE 79 H ILE 79 -4.736 14.246 4.885 580 HA ILE 79 HA ILE 79 -3.127 13.085 2.855 581 HB ILE 79 HB ILE 79 -5.247 15.216 2.513 582 HG12 ILE 79 HG12 ILE 79 -5.546 12.202 2.489 583 HG13 ILE 79 HG13 ILE 79 -6.089 13.261 3.786 584 HG21 ILE 79 HG21 ILE 79 -3.845 14.870 0.542 585 HG22 ILE 79 HG22 ILE 79 -4.183 13.139 0.599 586 HG23 ILE 79 HG23 ILE 79 -5.485 14.282 0.263 587 HD11 ILE 79 HD11 ILE 79 -7.650 14.337 2.249 588 HD12 ILE 79 HD12 ILE 79 -7.103 13.274 0.953 589 HD13 ILE 79 HD13 ILE 79 -7.933 12.600 2.356 590 H ARG 80 H ARG 80 -3.543 16.355 4.072 591 HA ARG 80 HA ARG 80 -1.742 17.596 2.255 592 HB2 ARG 80 HB2 ARG 80 -2.841 18.456 4.931 593 HB3 ARG 80 HB3 ARG 80 -1.828 19.482 3.923 594 HG2 ARG 80 HG2 ARG 80 -3.467 19.563 2.206 595 HG3 ARG 80 HG3 ARG 80 -4.418 18.290 2.969 596 HD2 ARG 80 HD2 ARG 80 -5.430 20.474 3.338 597 HD3 ARG 80 HD3 ARG 80 -4.891 19.760 4.856 598 HE ARG 80 HE ARG 80 -3.344 21.842 3.433 599 HH11 ARG 80 HH11 ARG 80 -4.721 20.482 6.354 600 HH12 ARG 80 HH12 ARG 80 -4.075 21.710 7.395 601 HH21 ARG 80 HH21 ARG 80 -2.497 23.472 4.789 602 HH22 ARG 80 HH22 ARG 80 -2.830 23.431 6.497 603 H ALA 81 H ALA 81 -1.372 15.844 5.204 604 HA ALA 81 HA ALA 81 1.091 16.800 6.126 605 HB1 ALA 81 HB1 ALA 81 -0.326 15.375 7.487 606 HB2 ALA 81 HB2 ALA 81 -0.090 14.032 6.366 607 HB3 ALA 81 HB3 ALA 81 1.271 14.648 7.307 608 H ALA 82 H ALA 82 0.316 14.746 3.449 609 HA ALA 82 HA ALA 82 3.001 13.740 3.126 610 HB1 ALA 82 HB1 ALA 82 1.080 12.421 2.383 611 HB2 ALA 82 HB2 ALA 82 0.656 13.690 1.229 612 HB3 ALA 82 HB3 ALA 82 2.163 12.793 1.041 613 H LEU 83 H LEU 83 4.596 14.923 2.362 614 HA LEU 83 HA LEU 83 4.174 17.535 1.340 615 HB2 LEU 83 HB2 LEU 83 6.698 15.884 1.371 616 HB3 LEU 83 HB3 LEU 83 6.608 17.609 1.079 617 HG LEU 83 HG LEU 83 5.883 16.225 3.663 618 HD11 LEU 83 HD11 LEU 83 8.278 16.221 3.246 619 HD12 LEU 83 HD12 LEU 83 8.240 17.961 2.947 620 HD13 LEU 83 HD13 LEU 83 7.868 17.331 4.552 621 HD21 LEU 83 HD21 LEU 83 4.517 18.199 3.326 622 HD22 LEU 83 HD22 LEU 83 5.727 18.504 4.572 623 HD23 LEU 83 HD23 LEU 83 5.951 19.154 2.948 624 H ASN 84 H ASN 84 5.135 14.459 -0.162 625 HA ASN 84 HA ASN 84 4.688 15.758 -2.764 626 HB2 ASN 84 HB2 ASN 84 7.092 15.282 -2.371 627 HB3 ASN 84 HB3 ASN 84 6.703 13.571 -2.218 628 HD21 ASN 84 HD21 ASN 84 6.177 12.393 -4.052 629 HD22 ASN 84 HD22 ASN 84 6.427 13.000 -5.651 630 H ALA 85 H ALA 85 4.921 12.455 -1.347 631 HA ALA 85 HA ALA 85 2.719 11.729 -3.172 632 HB1 ALA 85 HB1 ALA 85 4.822 10.591 -3.696 633 HB2 ALA 85 HB2 ALA 85 4.869 9.932 -2.060 634 HB3 ALA 85 HB3 ALA 85 3.581 9.453 -3.168 635 H VAL 86 H VAL 86 0.907 10.832 -2.378 636 HA VAL 86 HA VAL 86 0.890 10.059 0.461 637 HB VAL 86 HB VAL 86 -0.118 12.304 0.252 638 HG11 VAL 86 HG11 VAL 86 -2.131 10.943 -1.525 639 HG12 VAL 86 HG12 VAL 86 -2.299 12.566 -0.855 640 HG13 VAL 86 HG13 VAL 86 -0.995 12.210 -1.988 641 HG21 VAL 86 HG21 VAL 86 -2.069 10.123 0.965 642 HG22 VAL 86 HG22 VAL 86 -0.850 10.827 2.026 643 HG23 VAL 86 HG23 VAL 86 -2.197 11.813 1.456 644 H ARG 87 H ARG 87 -0.013 8.146 0.854 645 HA ARG 87 HA ARG 87 -1.237 6.765 -1.420 646 HB2 ARG 87 HB2 ARG 87 -0.157 5.651 1.178 647 HB3 ARG 87 HB3 ARG 87 -0.743 4.703 -0.188 648 HG2 ARG 87 HG2 ARG 87 1.034 5.470 -1.577 649 HG3 ARG 87 HG3 ARG 87 1.556 6.637 -0.363 650 HD2 ARG 87 HD2 ARG 87 2.100 4.762 1.148 651 HD3 ARG 87 HD3 ARG 87 1.652 3.632 -0.131 652 HE ARG 87 HE ARG 87 3.470 4.769 -1.469 653 HH11 ARG 87 HH11 ARG 87 3.571 4.593 2.026 654 HH12 ARG 87 HH12 ARG 87 5.302 4.708 2.119 655 HH21 ARG 87 HH21 ARG 87 5.741 4.900 -1.370 656 HH22 ARG 87 HH22 ARG 87 6.542 4.868 0.173 657 H LEU 88 H LEU 88 -3.359 6.865 -1.507 658 HA LEU 88 HA LEU 88 -4.902 6.949 1.006 659 HB2 LEU 88 HB2 LEU 88 -5.785 7.706 -1.788 660 HB3 LEU 88 HB3 LEU 88 -6.699 7.931 -0.312 661 HG LEU 88 HG LEU 88 -4.193 9.406 -1.135 662 HD11 LEU 88 HD11 LEU 88 -7.033 10.311 -0.682 663 HD12 LEU 88 HD12 LEU 88 -5.670 11.357 -1.075 664 HD13 LEU 88 HD13 LEU 88 -6.223 10.153 -2.239 665 HD21 LEU 88 HD21 LEU 88 -4.129 8.960 1.263 666 HD22 LEU 88 HD22 LEU 88 -4.463 10.665 0.959 667 HD23 LEU 88 HD23 LEU 88 -5.771 9.582 1.438 668 H LEU 89 H LEU 89 -5.996 5.135 1.531 669 HA LEU 89 HA LEU 89 -6.475 3.133 -0.543 670 HB2 LEU 89 HB2 LEU 89 -5.583 2.447 1.693 671 HB3 LEU 89 HB3 LEU 89 -7.096 2.976 2.411 672 HG LEU 89 HG LEU 89 -8.300 1.307 1.013 673 HD11 LEU 89 HD11 LEU 89 -6.680 1.128 -0.798 674 HD12 LEU 89 HD12 LEU 89 -5.523 0.385 0.304 675 HD13 LEU 89 HD13 LEU 89 -7.024 -0.452 -0.091 676 HD21 LEU 89 HD21 LEU 89 -7.608 -0.643 2.293 677 HD22 LEU 89 HD22 LEU 89 -6.122 0.182 2.767 678 HD23 LEU 89 HD23 LEU 89 -7.684 0.793 3.311 679 H VAL 90 H VAL 90 -8.376 2.909 -1.503 680 HA VAL 90 HA VAL 90 -10.717 4.239 -0.344 681 HB VAL 90 HB VAL 90 -11.285 5.222 -2.576 682 HG11 VAL 90 HG11 VAL 90 -8.749 6.220 -1.292 683 HG12 VAL 90 HG12 VAL 90 -9.807 7.156 -2.347 684 HG13 VAL 90 HG13 VAL 90 -10.393 6.599 -0.781 685 HG21 VAL 90 HG21 VAL 90 -9.841 3.860 -3.981 686 HG22 VAL 90 HG22 VAL 90 -9.467 5.573 -4.193 687 HG23 VAL 90 HG23 VAL 90 -8.412 4.552 -3.213 688 H VAL 91 H VAL 91 -12.725 3.581 -1.207 689 HA VAL 91 HA VAL 91 -12.755 1.315 -3.022 690 HB VAL 91 HB VAL 91 -12.480 0.303 -0.776 691 HG11 VAL 91 HG11 VAL 91 -15.123 1.599 -0.133 692 HG12 VAL 91 HG12 VAL 91 -14.264 0.437 0.878 693 HG13 VAL 91 HG13 VAL 91 -13.559 2.021 0.564 694 HG21 VAL 91 HG21 VAL 91 -15.181 -0.171 -2.029 695 HG22 VAL 91 HG22 VAL 91 -13.661 -0.937 -2.488 696 HG23 VAL 91 HG23 VAL 91 -14.366 -1.260 -0.906 697 H ASP 92 H ASP 92 -14.671 1.143 -4.142 698 HA ASP 92 HA ASP 92 -16.397 3.349 -4.319 699 HB2 ASP 92 HB2 ASP 92 -16.645 0.495 -5.265 700 HB3 ASP 92 HB3 ASP 92 -17.901 1.688 -5.566 701 HA PRO 93 HA PRO 93 -18.979 2.751 -0.728 702 HB2 PRO 93 HB2 PRO 93 -20.872 4.347 -2.385 703 HB3 PRO 93 HB3 PRO 93 -20.307 4.627 -0.734 704 HG2 PRO 93 HG2 PRO 93 -19.391 6.109 -2.736 705 HG3 PRO 93 HG3 PRO 93 -18.311 5.578 -1.434 706 HD2 PRO 93 HD2 PRO 93 -18.590 4.517 -4.217 707 HD3 PRO 93 HD3 PRO 93 -17.125 4.758 -3.244 708 H GLU 94 H GLU 94 -20.033 2.245 -4.034 709 HA GLU 94 HA GLU 94 -22.381 0.762 -3.429 710 HB2 GLU 94 HB2 GLU 94 -20.663 0.666 -5.917 711 HB3 GLU 94 HB3 GLU 94 -22.317 0.088 -5.777 712 HG2 GLU 94 HG2 GLU 94 -21.387 2.937 -5.551 713 HG3 GLU 94 HG3 GLU 94 -22.264 2.216 -6.901 714 H THR 95 H THR 95 -19.057 -0.132 -4.224 715 HA THR 95 HA THR 95 -19.529 -2.932 -4.210 716 HB THR 95 HB THR 95 -16.884 -1.515 -3.873 717 HG1 THR 95 HG1 THR 95 -18.209 -2.274 -6.293 718 HG21 THR 95 HG21 THR 95 -15.980 -3.511 -4.969 719 HG22 THR 95 HG22 THR 95 -16.826 -3.928 -3.477 720 HG23 THR 95 HG23 THR 95 -17.602 -4.205 -5.035 721 H ASP 96 H ASP 96 -18.549 -0.588 -1.784 722 HA ASP 96 HA ASP 96 -17.369 -2.296 0.087 723 HB2 ASP 96 HB2 ASP 96 -17.197 0.134 0.254 724 HB3 ASP 96 HB3 ASP 96 -18.922 0.253 0.584 725 H GLU 97 H GLU 97 -20.760 -1.483 -0.417 726 HA GLU 97 HA GLU 97 -21.820 -2.618 1.907 727 HB2 GLU 97 HB2 GLU 97 -23.048 -1.165 0.284 728 HB3 GLU 97 HB3 GLU 97 -23.116 -2.526 -0.824 729 HG2 GLU 97 HG2 GLU 97 -24.498 -3.767 0.668 730 HG3 GLU 97 HG3 GLU 97 -24.282 -2.570 1.944 731 H GLN 98 H GLN 98 -21.021 -4.032 -1.215 732 HA GLN 98 HA GLN 98 -21.876 -6.679 -0.607 733 HB2 GLN 98 HB2 GLN 98 -21.599 -5.930 -2.918 734 HB3 GLN 98 HB3 GLN 98 -19.888 -5.646 -2.646 735 HG2 GLN 98 HG2 GLN 98 -20.185 -7.679 -3.874 736 HG3 GLN 98 HG3 GLN 98 -19.564 -8.047 -2.268 737 HE21 GLN 98 HE21 GLN 98 -20.863 -9.140 -0.807 738 HE22 GLN 98 HE22 GLN 98 -22.315 -9.945 -1.292 739 H LEU 99 H LEU 99 -18.898 -4.877 -0.232 740 HA LEU 99 HA LEU 99 -17.155 -7.054 0.175 741 HB2 LEU 99 HB2 LEU 99 -16.857 -4.212 1.105 742 HB3 LEU 99 HB3 LEU 99 -15.576 -5.406 1.024 743 HG LEU 99 HG LEU 99 -16.904 -3.908 -1.179 744 HD11 LEU 99 HD11 LEU 99 -14.603 -3.739 -1.955 745 HD12 LEU 99 HD12 LEU 99 -14.766 -3.186 -0.287 746 HD13 LEU 99 HD13 LEU 99 -14.085 -4.777 -0.628 747 HD21 LEU 99 HD21 LEU 99 -17.300 -6.247 -1.773 748 HD22 LEU 99 HD22 LEU 99 -16.094 -5.514 -2.831 749 HD23 LEU 99 HD23 LEU 99 -15.589 -6.597 -1.534 750 H GLN 100 H GLN 100 -19.022 -5.078 2.425 751 HA GLN 100 HA GLN 100 -17.851 -5.910 4.814 752 HB2 GLN 100 HB2 GLN 100 -20.757 -5.230 4.309 753 HB3 GLN 100 HB3 GLN 100 -19.980 -5.281 5.885 754 HG2 GLN 100 HG2 GLN 100 -18.516 -3.445 5.229 755 HG3 GLN 100 HG3 GLN 100 -19.274 -3.404 3.639 756 HE21 GLN 100 HE21 GLN 100 -19.958 -1.294 3.871 757 HE22 GLN 100 HE22 GLN 100 -21.254 -0.854 4.940 758 H LYS 101 H LYS 101 -20.296 -7.439 2.813 759 HA LYS 101 HA LYS 101 -20.927 -9.515 4.662 760 HB2 LYS 101 HB2 LYS 101 -21.413 -9.292 1.691 761 HB3 LYS 101 HB3 LYS 101 -22.067 -10.565 2.715 762 HG2 LYS 101 HG2 LYS 101 -22.635 -7.616 2.926 763 HG3 LYS 101 HG3 LYS 101 -23.744 -8.875 2.375 764 HD2 LYS 101 HD2 LYS 101 -23.755 -9.885 4.567 765 HD3 LYS 101 HD3 LYS 101 -22.525 -8.755 5.132 766 HE2 LYS 101 HE2 LYS 101 -24.089 -6.899 4.787 767 HE3 LYS 101 HE3 LYS 101 -25.318 -8.042 4.248 768 HZ1 LYS 101 HZ1 LYS 101 -24.080 -7.935 6.949 769 HZ2 LYS 101 HZ2 LYS 101 -25.671 -7.491 6.554 770 HZ3 LYS 101 HZ3 LYS 101 -25.189 -9.113 6.437 771 H LEU 102 H LEU 102 -18.356 -9.028 2.447 772 HA LEU 102 HA LEU 102 -17.747 -11.823 2.092 773 HB2 LEU 102 HB2 LEU 102 -16.035 -9.410 1.494 774 HB3 LEU 102 HB3 LEU 102 -15.741 -11.049 0.948 775 HG LEU 102 HG LEU 102 -18.047 -9.285 0.121 776 HD11 LEU 102 HD11 LEU 102 -17.010 -9.399 -2.092 777 HD12 LEU 102 HD12 LEU 102 -15.937 -8.657 -0.905 778 HD13 LEU 102 HD13 LEU 102 -15.671 -10.323 -1.413 779 HD21 LEU 102 HD21 LEU 102 -18.614 -11.109 -1.429 780 HD22 LEU 102 HD22 LEU 102 -17.383 -12.116 -0.668 781 HD23 LEU 102 HD23 LEU 102 -18.783 -11.584 0.261 782 H GLY 103 H GLY 103 -16.371 -9.123 3.920 783 HA2 GLY 103 HA2 GLY 103 -15.517 -9.141 6.060 784 HA3 GLY 103 HA3 GLY 103 -15.901 -10.851 6.152 785 H VAL 104 H VAL 104 -14.000 -10.128 3.455 786 HA VAL 104 HA VAL 104 -11.748 -11.506 4.600 787 HB VAL 104 HB VAL 104 -11.839 -10.116 1.917 788 HG11 VAL 104 HG11 VAL 104 -10.221 -12.460 2.916 789 HG12 VAL 104 HG12 VAL 104 -10.156 -11.773 1.290 790 HG13 VAL 104 HG13 VAL 104 -9.624 -10.819 2.676 791 HG21 VAL 104 HG21 VAL 104 -12.586 -12.225 0.953 792 HG22 VAL 104 HG22 VAL 104 -12.680 -12.942 2.563 793 HG23 VAL 104 HG23 VAL 104 -13.763 -11.622 2.120 794 H GLN 105 H GLN 105 -9.930 -10.624 5.438 795 HA GLN 105 HA GLN 105 -9.870 -7.800 5.952 796 HB2 GLN 105 HB2 GLN 105 -7.860 -9.966 6.584 797 HB3 GLN 105 HB3 GLN 105 -7.782 -8.316 7.185 798 HG2 GLN 105 HG2 GLN 105 -10.046 -10.221 7.738 799 HG3 GLN 105 HG3 GLN 105 -8.673 -9.965 8.812 800 HE21 GLN 105 HE21 GLN 105 -9.914 -9.209 10.486 801 HE22 GLN 105 HE22 GLN 105 -10.699 -7.669 10.457 802 H VAL 106 H VAL 106 -9.847 -7.591 3.439 803 HA VAL 106 HA VAL 106 -7.275 -7.963 2.185 804 HB VAL 106 HB VAL 106 -8.332 -6.924 0.210 805 HG11 VAL 106 HG11 VAL 106 -9.968 -9.075 1.548 806 HG12 VAL 106 HG12 VAL 106 -10.000 -8.682 -0.172 807 HG13 VAL 106 HG13 VAL 106 -8.526 -9.316 0.561 808 HG21 VAL 106 HG21 VAL 106 -9.779 -5.337 1.373 809 HG22 VAL 106 HG22 VAL 106 -10.710 -6.351 0.271 810 HG23 VAL 106 HG23 VAL 106 -10.743 -6.670 2.005 811 H ARG 107 H ARG 107 -8.670 -5.523 4.063 812 HA ARG 107 HA ARG 107 -7.831 -3.218 2.696 813 HB2 ARG 107 HB2 ARG 107 -8.080 -2.100 4.960 814 HB3 ARG 107 HB3 ARG 107 -9.502 -2.913 4.325 815 HG2 ARG 107 HG2 ARG 107 -9.212 -4.747 5.816 816 HG3 ARG 107 HG3 ARG 107 -7.625 -4.161 6.317 817 HD2 ARG 107 HD2 ARG 107 -10.202 -2.659 6.751 818 HD3 ARG 107 HD3 ARG 107 -9.458 -3.716 7.951 819 HE ARG 107 HE ARG 107 -7.963 -1.420 6.851 820 HH11 ARG 107 HH11 ARG 107 -9.504 -3.020 9.559 821 HH12 ARG 107 HH12 ARG 107 -8.657 -2.096 10.761 822 HH21 ARG 107 HH21 ARG 107 -6.876 -0.170 8.403 823 HH22 ARG 107 HH22 ARG 107 -7.181 -0.444 10.098 824 H GLU 108 H GLU 108 -6.243 -5.049 5.309 825 HA GLU 108 HA GLU 108 -3.791 -3.574 4.613 826 HB2 GLU 108 HB2 GLU 108 -4.562 -4.760 7.273 827 HB3 GLU 108 HB3 GLU 108 -3.001 -4.046 6.906 828 HG2 GLU 108 HG2 GLU 108 -4.116 -1.894 6.477 829 HG3 GLU 108 HG3 GLU 108 -5.654 -2.632 6.944 830 H GLU 109 H GLU 109 -5.078 -6.719 5.646 831 HA GLU 109 HA GLU 109 -2.581 -8.003 5.758 832 HB2 GLU 109 HB2 GLU 109 -5.162 -9.421 5.133 833 HB3 GLU 109 HB3 GLU 109 -3.760 -10.042 5.991 834 HG2 GLU 109 HG2 GLU 109 -5.787 -8.052 6.959 835 HG3 GLU 109 HG3 GLU 109 -5.453 -9.660 7.594 836 H LEU 110 H LEU 110 -4.961 -7.752 3.153 837 HA LEU 110 HA LEU 110 -3.344 -9.288 1.329 838 HB2 LEU 110 HB2 LEU 110 -5.766 -9.325 1.109 839 HB3 LEU 110 HB3 LEU 110 -5.793 -7.589 0.855 840 HG LEU 110 HG LEU 110 -4.548 -7.880 -1.250 841 HD11 LEU 110 HD11 LEU 110 -3.335 -9.912 -0.683 842 HD12 LEU 110 HD12 LEU 110 -4.844 -10.828 -0.690 843 HD13 LEU 110 HD13 LEU 110 -4.239 -10.114 -2.186 844 HD21 LEU 110 HD21 LEU 110 -7.032 -9.583 -1.081 845 HD22 LEU 110 HD22 LEU 110 -7.001 -7.828 -1.256 846 HD23 LEU 110 HD23 LEU 110 -6.360 -8.856 -2.541 847 H LEU 111 H LEU 111 -4.109 -5.870 1.823 848 HA LEU 111 HA LEU 111 -2.787 -4.868 -0.443 849 HB2 LEU 111 HB2 LEU 111 -4.405 -3.574 0.871 850 HB3 LEU 111 HB3 LEU 111 -3.300 -3.562 2.231 851 HG LEU 111 HG LEU 111 -1.685 -2.271 0.823 852 HD11 LEU 111 HD11 LEU 111 -2.497 -1.209 -1.205 853 HD12 LEU 111 HD12 LEU 111 -2.546 -2.964 -1.360 854 HD13 LEU 111 HD13 LEU 111 -4.034 -2.065 -1.060 855 HD21 LEU 111 HD21 LEU 111 -4.395 -1.002 1.203 856 HD22 LEU 111 HD22 LEU 111 -3.168 -1.185 2.458 857 HD23 LEU 111 HD23 LEU 111 -2.855 -0.155 1.057 858 H ARG 112 H ARG 112 -1.714 -5.544 2.832 859 HA ARG 112 HA ARG 112 1.035 -4.891 2.033 860 HB2 ARG 112 HB2 ARG 112 -0.149 -5.067 4.804 861 HB3 ARG 112 HB3 ARG 112 1.520 -4.658 4.426 862 HG2 ARG 112 HG2 ARG 112 0.558 -2.725 3.067 863 HG3 ARG 112 HG3 ARG 112 -0.963 -3.063 3.898 864 HD2 ARG 112 HD2 ARG 112 1.584 -2.654 5.423 865 HD3 ARG 112 HD3 ARG 112 0.634 -1.279 4.871 866 HE ARG 112 HE ARG 112 -1.245 -2.373 6.186 867 HH11 ARG 112 HH11 ARG 112 2.115 -2.861 7.031 868 HH12 ARG 112 HH12 ARG 112 1.810 -2.893 8.747 869 HH21 ARG 112 HH21 ARG 112 -1.654 -2.400 8.459 870 HH22 ARG 112 HH22 ARG 112 -0.316 -2.652 9.542 871 H ALA 113 H ALA 113 0.192 -7.196 1.079 872 HA ALA 113 HA ALA 113 0.920 -9.402 2.771 873 HB1 ALA 113 HB1 ALA 113 -0.683 -9.705 0.964 874 HB2 ALA 113 HB2 ALA 113 0.549 -9.263 -0.216 875 HB3 ALA 113 HB3 ALA 113 0.722 -10.743 0.727 876 H GLN 114 H GLN 114 2.769 -7.139 2.243 877 HA GLN 114 HA GLN 114 5.186 -8.648 1.922 878 HB2 GLN 114 HB2 GLN 114 6.057 -7.275 0.101 879 HB3 GLN 114 HB3 GLN 114 4.599 -8.108 -0.415 880 HG2 GLN 114 HG2 GLN 114 3.305 -6.128 -0.249 881 HG3 GLN 114 HG3 GLN 114 4.610 -5.267 0.561 882 HE21 GLN 114 HE21 GLN 114 5.148 -7.382 -2.166 883 HE22 GLN 114 HE22 GLN 114 5.559 -6.129 -3.294 884 H GLU 115 H GLU 115 6.945 -6.533 1.690 885 HA GLU 115 HA GLU 115 7.968 -4.863 2.783 886 HB2 GLU 115 HB2 GLU 115 5.889 -3.633 2.165 887 HB3 GLU 115 HB3 GLU 115 5.213 -4.068 3.728 888 HG2 GLU 115 HG2 GLU 115 6.112 -1.800 3.667 889 HG3 GLU 115 HG3 GLU 115 6.905 -2.815 4.866 890 H ALA 116 H ALA 116 8.893 -4.418 4.758 891 HA ALA 116 HA ALA 116 9.707 -4.985 6.801 892 HB1 ALA 116 HB1 ALA 116 8.124 -5.028 8.632 893 HB2 ALA 116 HB2 ALA 116 7.667 -3.778 7.475 894 HB3 ALA 116 HB3 ALA 116 6.791 -5.309 7.509 895 HA PRO 117 HA PRO 117 9.183 -9.557 6.102 896 HB2 PRO 117 HB2 PRO 117 11.727 -10.118 5.427 897 HB3 PRO 117 HB3 PRO 117 10.559 -9.514 4.245 898 HG2 PRO 117 HG2 PRO 117 12.708 -8.041 5.709 899 HG3 PRO 117 HG3 PRO 117 12.220 -7.912 4.010 900 HD2 PRO 117 HD2 PRO 117 11.443 -6.151 5.960 901 HD3 PRO 117 HD3 PRO 117 10.506 -6.472 4.489 902 H GLY 118 H GLY 118 9.115 -8.597 8.570 903 HA2 GLY 118 HA2 GLY 118 9.608 -9.330 10.718 904 HA3 GLY 118 HA3 GLY 118 10.895 -10.326 10.051 905 H GLN 119 H GLN 119 10.172 -6.838 10.229 906 HA GLN 119 HA GLN 119 12.960 -6.197 10.464 907 HB2 GLN 119 HB2 GLN 119 10.478 -4.494 10.649 908 HB3 GLN 119 HB3 GLN 119 12.106 -3.851 10.807 909 HG2 GLN 119 HG2 GLN 119 12.584 -4.781 8.527 910 HG3 GLN 119 HG3 GLN 119 10.861 -5.139 8.397 911 HE21 GLN 119 HE21 GLN 119 13.263 -2.629 8.603 912 HE22 GLN 119 HE22 GLN 119 12.244 -1.331 8.060 913 H ALA 120 H ALA 120 13.423 -7.426 12.368 914 HA ALA 120 HA ALA 120 12.647 -6.015 14.833 915 HB1 ALA 120 HB1 ALA 120 11.941 -8.362 14.826 916 HB2 ALA 120 HB2 ALA 120 13.604 -8.864 14.529 917 HB3 ALA 120 HB3 ALA 120 13.181 -8.073 16.047 918 H1 GLN 1 HT1 GLN 1 -17.040 22.684 4.342 919 H2 GLN 1 HT2 GLN 1 -18.631 22.888 4.883 920 H3 GLN 1 HT3 GLN 1 -18.286 22.950 3.228 921 HA GLN 1 HA GLN 1 -18.073 20.584 4.997 922 HB2 GLN 1 HB2 GLN 1 -19.865 21.142 2.618 923 HB3 GLN 1 HB3 GLN 1 -19.781 19.618 3.493 924 HG2 GLN 1 HG2 GLN 1 -21.704 20.676 4.279 925 HG3 GLN 1 HG3 GLN 1 -20.502 20.924 5.543 926 HE21 GLN 1 HE21 GLN 1 -21.624 22.692 6.344 927 HE22 GLN 1 HE22 GLN 1 -21.632 24.225 5.520 928 H ASP 2 H ASP 2 -17.070 22.183 2.114 929 HA ASP 2 HA ASP 2 -15.883 19.691 1.081 930 HB2 ASP 2 HB2 ASP 2 -17.828 20.559 -0.246 931 HB3 ASP 2 HB3 ASP 2 -16.912 22.034 -0.538 932 H THR 3 H THR 3 -13.862 19.928 -0.015 933 HA THR 3 HA THR 3 -12.535 22.474 -0.072 934 HB THR 3 HB THR 3 -12.198 21.799 2.301 935 HG1 THR 3 HG1 THR 3 -10.477 22.801 0.719 936 HG21 THR 3 HG21 THR 3 -12.186 19.376 2.036 937 HG22 THR 3 HG22 THR 3 -10.694 19.470 1.100 938 HG23 THR 3 HG23 THR 3 -10.692 19.915 2.807 939 H ARG 4 H ARG 4 -10.575 22.406 -1.283 940 HA ARG 4 HA ARG 4 -10.362 20.000 -2.958 941 HB2 ARG 4 HB2 ARG 4 -10.802 22.223 -4.053 942 HB3 ARG 4 HB3 ARG 4 -9.219 22.746 -3.494 943 HG2 ARG 4 HG2 ARG 4 -8.769 20.321 -4.801 944 HG3 ARG 4 HG3 ARG 4 -9.924 21.194 -5.811 945 HD2 ARG 4 HD2 ARG 4 -7.747 21.804 -6.547 946 HD3 ARG 4 HD3 ARG 4 -8.401 23.182 -5.661 947 HE ARG 4 HE ARG 4 -6.505 21.268 -4.449 948 HH11 ARG 4 HH11 ARG 4 -7.566 24.551 -5.067 949 HH12 ARG 4 HH12 ARG 4 -6.312 25.268 -4.107 950 HH21 ARG 4 HH21 ARG 4 -4.875 22.180 -3.197 951 HH22 ARG 4 HH22 ARG 4 -4.760 23.916 -3.048 952 H LEU 5 H LEU 5 -8.606 18.774 -2.890 953 HA LEU 5 HA LEU 5 -6.373 19.563 -1.201 954 HB2 LEU 5 HB2 LEU 5 -7.260 17.008 -2.487 955 HB3 LEU 5 HB3 LEU 5 -5.599 17.181 -1.969 956 HG LEU 5 HG LEU 5 -6.841 16.026 -0.267 957 HD11 LEU 5 HD11 LEU 5 -6.287 18.860 0.584 958 HD12 LEU 5 HD12 LEU 5 -6.434 17.466 1.654 959 HD13 LEU 5 HD13 LEU 5 -5.109 17.549 0.493 960 HD21 LEU 5 HD21 LEU 5 -8.694 18.406 -0.240 961 HD22 LEU 5 HD22 LEU 5 -9.084 16.779 -0.803 962 HD23 LEU 5 HD23 LEU 5 -8.732 17.062 0.902 Start of MODEL 20 1 H1 GLY 4 HT1 GLY 4 -23.851 -19.788 -4.809 2 H2 GLY 4 HT2 GLY 4 -25.245 -19.350 -3.954 3 H3 GLY 4 HT3 GLY 4 -23.723 -18.807 -3.432 4 HA2 GLY 4 HA3 GLY 4 -25.119 -18.028 -5.931 5 HA3 GLY 4 HA2 GLY 4 -24.857 -17.011 -4.519 6 H ILE 5 H ILE 5 -24.011 -16.107 -6.933 7 HA ILE 5 HA ILE 5 -21.182 -16.807 -7.133 8 HB ILE 5 HB ILE 5 -22.402 -16.904 -9.201 9 HG12 ILE 5 HG12 ILE 5 -19.988 -15.927 -9.071 10 HG13 ILE 5 HG13 ILE 5 -20.870 -15.854 -10.590 11 HG21 ILE 5 HG21 ILE 5 -23.418 -14.937 -10.247 12 HG22 ILE 5 HG22 ILE 5 -24.194 -15.357 -8.719 13 HG23 ILE 5 HG23 ILE 5 -23.072 -13.999 -8.794 14 HD11 ILE 5 HD11 ILE 5 -21.426 -13.513 -10.143 15 HD12 ILE 5 HD12 ILE 5 -20.525 -13.593 -8.629 16 HD13 ILE 5 HD13 ILE 5 -19.685 -13.788 -10.167 17 H ASP 6 H ASP 6 -19.752 -15.656 -6.139 18 HA ASP 6 HA ASP 6 -20.021 -12.746 -6.218 19 HB2 ASP 6 HB2 ASP 6 -18.803 -12.582 -4.083 20 HB3 ASP 6 HB3 ASP 6 -20.341 -13.405 -3.896 21 HA PRO 7 HA PRO 7 -16.388 -13.250 -8.589 22 HB2 PRO 7 HB2 PRO 7 -15.808 -10.423 -8.369 23 HB3 PRO 7 HB3 PRO 7 -16.493 -11.303 -9.738 24 HG2 PRO 7 HG2 PRO 7 -17.890 -9.493 -8.252 25 HG3 PRO 7 HG3 PRO 7 -18.645 -10.846 -9.111 26 HD2 PRO 7 HD2 PRO 7 -17.951 -10.585 -6.213 27 HD3 PRO 7 HD3 PRO 7 -19.397 -11.284 -6.972 28 H PHE 8 H PHE 8 -16.199 -12.947 -5.459 29 HA PHE 8 HA PHE 8 -14.644 -12.630 -3.824 30 HB2 PHE 8 HB2 PHE 8 -13.442 -14.403 -5.018 31 HB3 PHE 8 HB3 PHE 8 -12.726 -13.218 -6.101 32 HD1 PHE 8 HD1 PHE 8 -13.094 -13.138 -2.390 33 HD2 PHE 8 HD2 PHE 8 -10.454 -13.335 -5.724 34 HE1 PHE 8 HE1 PHE 8 -11.163 -12.897 -0.875 35 HE2 PHE 8 HE2 PHE 8 -8.527 -13.099 -4.215 36 HZ PHE 8 HZ PHE 8 -8.880 -12.885 -1.792 37 H THR 9 H THR 9 -15.601 -10.454 -5.540 38 HA THR 9 HA THR 9 -13.608 -8.523 -5.934 39 HB THR 9 HB THR 9 -15.999 -8.526 -6.847 40 HG1 THR 9 HG1 THR 9 -14.509 -6.760 -7.080 41 HG21 THR 9 HG21 THR 9 -17.158 -8.748 -4.700 42 HG22 THR 9 HG22 THR 9 -16.555 -7.154 -4.226 43 HG23 THR 9 HG23 THR 9 -17.671 -7.311 -5.586 44 H MET 10 H MET 10 -12.844 -6.958 -4.668 45 HA MET 10 HA MET 10 -13.504 -5.907 -2.292 46 HB2 MET 10 HB2 MET 10 -12.447 -7.274 -0.540 47 HB3 MET 10 HB3 MET 10 -13.765 -8.147 -1.304 48 HG2 MET 10 HG2 MET 10 -12.153 -9.408 -2.641 49 HG3 MET 10 HG3 MET 10 -10.835 -8.535 -1.862 50 HE1 MET 10 HE1 MET 10 -14.193 -9.939 -0.272 51 HE2 MET 10 HE2 MET 10 -13.697 -11.131 -1.476 52 HE3 MET 10 HE3 MET 10 -13.637 -11.533 0.242 53 H LEU 11 H LEU 11 -11.181 -7.372 -4.285 54 HA LEU 11 HA LEU 11 -8.760 -6.485 -3.265 55 HB2 LEU 11 HB2 LEU 11 -9.483 -6.814 -6.176 56 HB3 LEU 11 HB3 LEU 11 -7.890 -6.970 -5.456 57 HG LEU 11 HG LEU 11 -10.168 -8.796 -4.720 58 HD11 LEU 11 HD11 LEU 11 -9.858 -9.032 -7.097 59 HD12 LEU 11 HD12 LEU 11 -8.110 -9.177 -6.889 60 HD13 LEU 11 HD13 LEU 11 -9.182 -10.434 -6.268 61 HD21 LEU 11 HD21 LEU 11 -8.274 -8.673 -3.170 62 HD22 LEU 11 HD22 LEU 11 -8.385 -10.254 -3.946 63 HD23 LEU 11 HD23 LEU 11 -7.176 -9.087 -4.485 64 HA PRO 12 HA PRO 12 -9.501 -2.158 -4.248 65 HB2 PRO 12 HB2 PRO 12 -8.088 -1.145 -2.206 66 HB3 PRO 12 HB3 PRO 12 -9.674 -1.886 -1.958 67 HG2 PRO 12 HG2 PRO 12 -6.979 -2.928 -1.312 68 HG3 PRO 12 HG3 PRO 12 -8.532 -3.264 -0.533 69 HD2 PRO 12 HD2 PRO 12 -7.173 -4.868 -2.454 70 HD3 PRO 12 HD3 PRO 12 -8.790 -5.137 -1.776 71 H ARG 13 H ARG 13 -7.813 -0.220 -4.221 72 HA ARG 13 HA ARG 13 -5.253 -1.189 -5.271 73 HB2 ARG 13 HB2 ARG 13 -5.304 0.477 -7.043 74 HB3 ARG 13 HB3 ARG 13 -6.691 -0.593 -7.169 75 HG2 ARG 13 HG2 ARG 13 -8.103 1.125 -6.141 76 HG3 ARG 13 HG3 ARG 13 -6.705 2.201 -6.039 77 HD2 ARG 13 HD2 ARG 13 -7.971 1.096 -8.546 78 HD3 ARG 13 HD3 ARG 13 -8.014 2.768 -7.986 79 HE ARG 13 HE ARG 13 -5.548 2.772 -8.330 80 HH11 ARG 13 HH11 ARG 13 -7.547 0.443 -10.026 81 HH12 ARG 13 HH12 ARG 13 -6.453 0.293 -11.370 82 HH21 ARG 13 HH21 ARG 13 -4.090 2.555 -10.068 83 HH22 ARG 13 HH22 ARG 13 -4.482 1.491 -11.394 84 H LEU 14 H LEU 14 -3.498 -0.080 -4.633 85 HA LEU 14 HA LEU 14 -3.870 1.913 -2.568 86 HB2 LEU 14 HB2 LEU 14 -2.165 -0.068 -2.632 87 HB3 LEU 14 HB3 LEU 14 -1.217 1.003 -3.643 88 HG LEU 14 HG LEU 14 -0.575 0.993 -1.227 89 HD11 LEU 14 HD11 LEU 14 -1.527 3.637 -2.316 90 HD12 LEU 14 HD12 LEU 14 -0.345 3.415 -1.026 91 HD13 LEU 14 HD13 LEU 14 0.022 2.869 -2.664 92 HD21 LEU 14 HD21 LEU 14 -1.994 2.206 0.352 93 HD22 LEU 14 HD22 LEU 14 -3.238 2.364 -0.887 94 HD23 LEU 14 HD23 LEU 14 -2.804 0.769 -0.274 95 H CYS 15 H CYS 15 -3.866 4.033 -2.990 96 HA CYS 15 HA CYS 15 -3.028 4.817 -5.698 97 HB2 CYS 15 HB2 CYS 15 -5.035 6.239 -3.945 98 HB3 CYS 15 HB3 CYS 15 -4.729 6.509 -5.659 99 HG CYS 15 HG CYS 15 -6.060 3.628 -4.373 100 H CYS 16 H CYS 16 -1.090 5.739 -5.605 101 HA CYS 16 HA CYS 16 -0.402 7.452 -3.355 102 HB2 CYS 16 HB2 CYS 16 1.277 5.854 -4.275 103 HB3 CYS 16 HB3 CYS 16 1.242 6.741 -5.794 104 HG CYS 16 HG CYS 16 3.134 7.257 -3.214 105 H LEU 17 H LEU 17 -1.292 9.414 -3.463 106 HA LEU 17 HA LEU 17 -1.576 10.694 -6.067 107 HB2 LEU 17 HB2 LEU 17 -2.780 11.173 -3.376 108 HB3 LEU 17 HB3 LEU 17 -2.654 12.525 -4.494 109 HG LEU 17 HG LEU 17 -3.889 11.088 -6.174 110 HD11 LEU 17 HD11 LEU 17 -3.495 8.927 -5.032 111 HD12 LEU 17 HD12 LEU 17 -4.567 9.458 -3.736 112 HD13 LEU 17 HD13 LEU 17 -5.197 9.241 -5.367 113 HD21 LEU 17 HD21 LEU 17 -4.965 12.908 -5.033 114 HD22 LEU 17 HD22 LEU 17 -6.076 11.541 -5.146 115 HD23 LEU 17 HD23 LEU 17 -5.258 11.892 -3.623 116 H GLU 18 H GLU 18 -0.138 12.012 -6.806 117 HA GLU 18 HA GLU 18 1.946 13.047 -5.061 118 HB2 GLU 18 HB2 GLU 18 2.647 11.964 -7.123 119 HB3 GLU 18 HB3 GLU 18 1.632 13.042 -8.070 120 HG2 GLU 18 HG2 GLU 18 3.018 14.934 -7.426 121 HG3 GLU 18 HG3 GLU 18 4.017 13.874 -6.430 122 H LYS 19 H LYS 19 2.289 15.201 -4.684 123 HA LYS 19 HA LYS 19 0.073 16.968 -5.138 124 HB2 LYS 19 HB2 LYS 19 1.675 16.895 -3.103 125 HB3 LYS 19 HB3 LYS 19 2.784 17.806 -4.114 126 HG2 LYS 19 HG2 LYS 19 -0.022 18.722 -3.510 127 HG3 LYS 19 HG3 LYS 19 1.372 19.152 -2.520 128 HD2 LYS 19 HD2 LYS 19 0.935 19.817 -5.431 129 HD3 LYS 19 HD3 LYS 19 0.925 20.945 -4.070 130 HE2 LYS 19 HE2 LYS 19 3.273 20.406 -3.632 131 HE3 LYS 19 HE3 LYS 19 3.260 19.300 -4.999 132 HZ1 LYS 19 HZ1 LYS 19 2.701 21.257 -6.420 133 HZ2 LYS 19 HZ2 LYS 19 2.991 22.257 -5.077 134 HZ3 LYS 19 HZ3 LYS 19 4.244 21.315 -5.718 135 H GLY 20 H GLY 20 -0.244 17.602 -7.146 136 HA2 GLY 20 HA2 GLY 20 1.952 18.057 -8.975 137 HA3 GLY 20 HA3 GLY 20 0.239 18.206 -9.340 138 HA PRO 21 HA PRO 21 1.310 22.510 -9.743 139 HB2 PRO 21 HB2 PRO 21 -1.333 23.378 -9.826 140 HB3 PRO 21 HB3 PRO 21 -0.375 22.866 -11.218 141 HG2 PRO 21 HG2 PRO 21 -2.388 21.335 -9.635 142 HG3 PRO 21 HG3 PRO 21 -2.073 21.312 -11.379 143 HD2 PRO 21 HD2 PRO 21 -1.224 19.340 -9.774 144 HD3 PRO 21 HD3 PRO 21 -0.258 19.889 -11.159 145 H ASN 22 H ASN 22 -1.678 22.082 -7.845 146 HA ASN 22 HA ASN 22 -0.389 23.391 -5.575 147 HB2 ASN 22 HB2 ASN 22 -2.426 24.858 -5.301 148 HB3 ASN 22 HB3 ASN 22 -1.396 25.258 -6.668 149 HD21 ASN 22 HD21 ASN 22 -3.090 26.348 -7.651 150 HD22 ASN 22 HD22 ASN 22 -4.395 25.510 -8.432 151 H GLY 23 H GLY 23 -0.929 20.706 -5.724 152 HA2 GLY 23 HA2 GLY 23 -2.092 19.811 -3.569 153 HA3 GLY 23 HA3 GLY 23 -3.538 20.317 -4.431 154 H TYR 24 H TYR 24 -4.280 18.145 -4.404 155 HA TYR 24 HA TYR 24 -2.694 16.290 -6.054 156 HB2 TYR 24 HB2 TYR 24 -4.889 15.644 -4.073 157 HB3 TYR 24 HB3 TYR 24 -3.873 14.479 -4.925 158 HD1 TYR 24 HD2 TYR 24 -1.228 15.421 -4.719 159 HD2 TYR 24 HD1 TYR 24 -4.314 15.706 -1.811 160 HE1 TYR 24 HE2 TYR 24 0.471 15.631 -2.959 161 HE2 TYR 24 HE1 TYR 24 -2.624 15.909 -0.033 162 HH TYR 24 HH TYR 24 0.681 16.471 -0.690 163 H GLY 25 H GLY 25 -5.864 17.752 -5.667 164 HA2 GLY 25 HA2 GLY 25 -6.789 18.593 -7.746 165 HA3 GLY 25 HA3 GLY 25 -6.255 17.116 -8.521 166 H PHE 26 H PHE 26 -7.846 16.999 -5.374 167 HA PHE 26 HA PHE 26 -10.359 16.355 -6.738 168 HB2 PHE 26 HB2 PHE 26 -10.720 14.337 -5.467 169 HB3 PHE 26 HB3 PHE 26 -9.201 14.210 -6.342 170 HD1 PHE 26 HD2 PHE 26 -7.050 14.626 -5.049 171 HD2 PHE 26 HD1 PHE 26 -10.816 13.998 -3.169 172 HE1 PHE 26 HE2 PHE 26 -5.904 14.005 -2.965 173 HE2 PHE 26 HE1 PHE 26 -9.672 13.377 -1.082 174 HZ PHE 26 HZ PHE 26 -7.214 13.372 -0.982 175 H HIS 27 H HIS 27 -12.215 16.424 -5.382 176 HA HIS 27 HA HIS 27 -11.805 18.196 -3.060 177 HB2 HIS 27 HB2 HIS 27 -14.259 17.903 -4.821 178 HB3 HIS 27 HB3 HIS 27 -14.125 18.972 -3.431 179 HD1 HIS 27 HD1 HIS 27 -13.289 21.292 -3.883 180 HD2 HIS 27 HD2 HIS 27 -12.474 18.662 -7.008 181 HE1 HIS 27 HE1 HIS 27 -12.365 22.708 -5.748 182 HE2 HIS 27 HE2 HIS 27 -11.988 21.118 -7.667 183 H LEU 28 H LEU 28 -12.038 17.157 -1.174 184 HA LEU 28 HA LEU 28 -13.860 14.840 -1.106 185 HB2 LEU 28 HB2 LEU 28 -11.385 14.609 -0.453 186 HB3 LEU 28 HB3 LEU 28 -11.788 15.545 0.973 187 HG LEU 28 HG LEU 28 -13.237 12.987 0.320 188 HD11 LEU 28 HD11 LEU 28 -11.690 11.808 1.779 189 HD12 LEU 28 HD12 LEU 28 -10.843 12.484 0.388 190 HD13 LEU 28 HD13 LEU 28 -10.723 13.272 1.961 191 HD21 LEU 28 HD21 LEU 28 -14.263 14.418 2.000 192 HD22 LEU 28 HD22 LEU 28 -13.621 12.952 2.742 193 HD23 LEU 28 HD23 LEU 28 -12.748 14.476 2.900 194 H HIS 29 H HIS 29 -15.739 15.116 -0.120 195 HA HIS 29 HA HIS 29 -16.008 17.495 1.587 196 HB2 HIS 29 HB2 HIS 29 -18.191 17.831 0.850 197 HB3 HIS 29 HB3 HIS 29 -17.377 17.297 -0.611 198 HD1 HIS 29 HD1 HIS 29 -20.438 16.890 0.997 199 HD2 HIS 29 HD2 HIS 29 -17.781 14.212 -0.757 200 HE1 HIS 29 HE1 HIS 29 -21.786 14.830 0.497 201 HE2 HIS 29 HE2 HIS 29 -20.127 13.162 -0.401 202 H GLY 30 H GLY 30 -16.965 17.327 3.569 203 HA2 GLY 30 HA2 GLY 30 -17.482 14.555 4.450 204 HA3 GLY 30 HA3 GLY 30 -16.599 15.713 5.435 205 H GLU 31 H GLU 31 -19.147 14.182 5.798 206 HA GLU 31 HA GLU 31 -21.124 16.263 6.083 207 HB2 GLU 31 HB2 GLU 31 -21.117 13.409 7.098 208 HB3 GLU 31 HB3 GLU 31 -22.503 14.494 7.096 209 HG2 GLU 31 HG2 GLU 31 -22.353 14.607 4.629 210 HG3 GLU 31 HG3 GLU 31 -21.062 13.409 4.685 211 H LYS 32 H LYS 32 -21.893 17.041 8.116 212 HA LYS 32 HA LYS 32 -19.661 17.531 9.847 213 HB2 LYS 32 HB2 LYS 32 -22.519 18.470 10.094 214 HB3 LYS 32 HB3 LYS 32 -21.159 19.068 11.039 215 HG2 LYS 32 HG2 LYS 32 -21.591 19.356 8.077 216 HG3 LYS 32 HG3 LYS 32 -21.620 20.631 9.294 217 HD2 LYS 32 HD2 LYS 32 -19.169 18.961 8.793 218 HD3 LYS 32 HD3 LYS 32 -19.522 20.402 7.843 219 HE2 LYS 32 HE2 LYS 32 -18.032 21.036 9.583 220 HE3 LYS 32 HE3 LYS 32 -19.618 21.690 9.981 221 HZ1 LYS 32 HZ1 LYS 32 -18.509 19.178 11.124 222 HZ2 LYS 32 HZ2 LYS 32 -18.443 20.688 11.887 223 HZ3 LYS 32 HZ3 LYS 32 -19.942 19.960 11.585 224 H GLY 33 H GLY 33 -19.294 15.429 10.590 225 HA2 GLY 33 HA2 GLY 33 -20.520 15.047 13.193 226 HA3 GLY 33 HA3 GLY 33 -20.682 13.694 12.074 227 H LYS 34 H LYS 34 -19.238 12.179 12.629 228 HA LYS 34 HA LYS 34 -16.492 13.055 13.207 229 HB2 LYS 34 HB2 LYS 34 -17.889 10.440 13.808 230 HB3 LYS 34 HB3 LYS 34 -16.177 10.725 14.077 231 HG2 LYS 34 HG2 LYS 34 -18.369 12.327 15.370 232 HG3 LYS 34 HG3 LYS 34 -17.594 10.924 16.108 233 HD2 LYS 34 HD2 LYS 34 -15.421 12.068 15.968 234 HD3 LYS 34 HD3 LYS 34 -16.221 13.477 15.268 235 HE2 LYS 34 HE2 LYS 34 -17.551 13.737 17.296 236 HE3 LYS 34 HE3 LYS 34 -16.783 12.312 17.990 237 HZ1 LYS 34 HZ1 LYS 34 -15.389 14.834 17.257 238 HZ2 LYS 34 HZ2 LYS 34 -15.796 14.343 18.827 239 HZ3 LYS 34 HZ3 LYS 34 -14.659 13.458 17.931 240 H LEU 35 H LEU 35 -18.015 10.173 11.790 241 HA LEU 35 HA LEU 35 -15.896 10.126 9.801 242 HB2 LEU 35 HB2 LEU 35 -16.773 7.853 9.247 243 HB3 LEU 35 HB3 LEU 35 -16.121 8.029 10.861 244 HG LEU 35 HG LEU 35 -19.066 8.338 10.518 245 HD11 LEU 35 HD11 LEU 35 -18.508 6.371 9.163 246 HD12 LEU 35 HD12 LEU 35 -17.638 5.682 10.533 247 HD13 LEU 35 HD13 LEU 35 -19.381 5.929 10.630 248 HD21 LEU 35 HD21 LEU 35 -19.041 7.186 12.702 249 HD22 LEU 35 HD22 LEU 35 -17.280 7.087 12.609 250 HD23 LEU 35 HD23 LEU 35 -18.071 8.659 12.710 251 H GLY 36 H GLY 36 -16.238 10.187 7.647 252 HA2 GLY 36 HA2 GLY 36 -18.510 10.045 6.159 253 HA3 GLY 36 HA3 GLY 36 -18.560 11.672 6.829 254 H GLN 37 H GLN 37 -16.146 9.510 5.363 255 HA GLN 37 HA GLN 37 -14.932 11.823 4.038 256 HB2 GLN 37 HB2 GLN 37 -13.930 8.974 4.296 257 HB3 GLN 37 HB3 GLN 37 -13.037 10.311 3.595 258 HG2 GLN 37 HG2 GLN 37 -12.172 9.933 5.762 259 HG3 GLN 37 HG3 GLN 37 -13.101 11.425 5.826 260 HE21 GLN 37 HE21 GLN 37 -13.286 11.228 8.076 261 HE22 GLN 37 HE22 GLN 37 -14.339 10.081 8.817 262 H TYR 38 H TYR 38 -15.613 12.232 2.025 263 HA TYR 38 HA TYR 38 -15.963 10.005 0.174 264 HB2 TYR 38 HB2 TYR 38 -18.085 12.067 0.773 265 HB3 TYR 38 HB3 TYR 38 -18.095 11.070 -0.679 266 HD1 TYR 38 HD1 TYR 38 -18.342 8.606 -0.468 267 HD2 TYR 38 HD2 TYR 38 -18.818 11.203 2.869 268 HE1 TYR 38 HE1 TYR 38 -19.485 6.811 0.759 269 HE2 TYR 38 HE2 TYR 38 -19.961 9.412 4.105 270 HH TYR 38 HH TYR 38 -21.222 7.350 3.611 271 H ILE 39 H ILE 39 -15.169 10.409 -1.774 272 HA ILE 39 HA ILE 39 -14.145 13.032 -2.422 273 HB ILE 39 HB ILE 39 -14.377 10.718 -4.346 274 HG12 ILE 39 HG12 ILE 39 -13.296 9.873 -2.306 275 HG13 ILE 39 HG13 ILE 39 -12.146 9.982 -3.633 276 HG21 ILE 39 HG21 ILE 39 -12.470 13.048 -4.136 277 HG22 ILE 39 HG22 ILE 39 -12.358 11.752 -5.329 278 HG23 ILE 39 HG23 ILE 39 -13.751 12.835 -5.329 279 HD11 ILE 39 HD11 ILE 39 -12.425 11.908 -1.345 280 HD12 ILE 39 HD12 ILE 39 -11.139 10.724 -1.579 281 HD13 ILE 39 HD13 ILE 39 -11.298 12.087 -2.692 282 H ARG 40 H ARG 40 -15.104 14.520 -3.751 283 HA ARG 40 HA ARG 40 -17.809 13.823 -4.657 284 HB2 ARG 40 HB2 ARG 40 -17.643 15.693 -3.058 285 HB3 ARG 40 HB3 ARG 40 -16.624 16.563 -4.202 286 HG2 ARG 40 HG2 ARG 40 -18.477 16.538 -5.827 287 HG3 ARG 40 HG3 ARG 40 -19.490 15.745 -4.619 288 HD2 ARG 40 HD2 ARG 40 -19.249 17.659 -3.142 289 HD3 ARG 40 HD3 ARG 40 -18.199 18.449 -4.320 290 HE ARG 40 HE ARG 40 -20.819 17.701 -5.310 291 HH11 ARG 40 HH11 ARG 40 -18.868 20.204 -3.832 292 HH12 ARG 40 HH12 ARG 40 -19.909 21.498 -4.328 293 HH21 ARG 40 HH21 ARG 40 -22.199 19.408 -5.960 294 HH22 ARG 40 HH22 ARG 40 -21.805 21.039 -5.531 295 H LEU 41 H LEU 41 -14.840 15.446 -5.720 296 HA LEU 41 HA LEU 41 -15.548 14.840 -8.471 297 HB2 LEU 41 HB2 LEU 41 -16.545 17.057 -8.025 298 HB3 LEU 41 HB3 LEU 41 -14.964 17.661 -7.568 299 HG LEU 41 HG LEU 41 -14.160 17.221 -9.875 300 HD11 LEU 41 HD11 LEU 41 -15.751 15.438 -10.441 301 HD12 LEU 41 HD12 LEU 41 -17.058 16.622 -10.456 302 HD13 LEU 41 HD13 LEU 41 -15.755 16.733 -11.639 303 HD21 LEU 41 HD21 LEU 41 -14.921 19.441 -9.269 304 HD22 LEU 41 HD22 LEU 41 -15.386 19.075 -10.931 305 HD23 LEU 41 HD23 LEU 41 -16.587 18.996 -9.641 306 H VAL 42 H VAL 42 -13.821 14.551 -9.772 307 HA VAL 42 HA VAL 42 -11.147 15.154 -8.691 308 HB VAL 42 HB VAL 42 -11.931 12.764 -10.381 309 HG11 VAL 42 HG11 VAL 42 -9.683 13.560 -10.890 310 HG12 VAL 42 HG12 VAL 42 -9.266 13.507 -9.178 311 HG13 VAL 42 HG13 VAL 42 -9.630 12.014 -10.043 312 HG21 VAL 42 HG21 VAL 42 -12.705 12.530 -8.088 313 HG22 VAL 42 HG22 VAL 42 -11.367 11.427 -8.407 314 HG23 VAL 42 HG23 VAL 42 -11.091 12.907 -7.489 315 H GLU 43 H GLU 43 -9.825 16.268 -10.042 316 HA GLU 43 HA GLU 43 -10.967 17.253 -12.502 317 HB2 GLU 43 HB2 GLU 43 -9.852 18.778 -10.956 318 HB3 GLU 43 HB3 GLU 43 -8.362 17.857 -11.090 319 HG2 GLU 43 HG2 GLU 43 -8.130 18.470 -13.387 320 HG3 GLU 43 HG3 GLU 43 -9.692 19.282 -13.375 321 HA PRO 44 HA PRO 44 -9.052 14.274 -15.172 322 HB2 PRO 44 HB2 PRO 44 -8.949 15.845 -17.426 323 HB3 PRO 44 HB3 PRO 44 -10.397 14.993 -16.873 324 HG2 PRO 44 HG2 PRO 44 -9.604 17.853 -16.462 325 HG3 PRO 44 HG3 PRO 44 -11.186 17.185 -16.902 326 HD2 PRO 44 HD2 PRO 44 -10.674 17.946 -14.399 327 HD3 PRO 44 HD3 PRO 44 -11.636 16.489 -14.727 328 H GLY 45 H GLY 45 -7.744 17.417 -14.554 329 HA2 GLY 45 HA2 GLY 45 -5.150 16.622 -15.699 330 HA3 GLY 45 HA3 GLY 45 -5.645 18.272 -15.348 331 H SER 46 H SER 46 -5.876 15.405 -13.267 332 HA SER 46 HA SER 46 -3.914 16.653 -11.467 333 HB2 SER 46 HB2 SER 46 -5.320 16.189 -9.546 334 HB3 SER 46 HB3 SER 46 -6.246 17.139 -10.707 335 HG SER 46 HG SER 46 -7.318 15.282 -11.346 336 HA PRO 47 HA PRO 47 -2.183 12.566 -11.076 337 HB2 PRO 47 HB2 PRO 47 -1.710 13.167 -8.227 338 HB3 PRO 47 HB3 PRO 47 -0.551 12.795 -9.506 339 HG2 PRO 47 HG2 PRO 47 -0.787 15.270 -8.505 340 HG3 PRO 47 HG3 PRO 47 -0.431 14.989 -10.220 341 HD2 PRO 47 HD2 PRO 47 -3.018 15.732 -8.917 342 HD3 PRO 47 HD3 PRO 47 -2.315 16.315 -10.441 343 H ALA 48 H ALA 48 -4.807 13.681 -9.175 344 HA ALA 48 HA ALA 48 -5.301 11.444 -7.563 345 HB1 ALA 48 HB1 ALA 48 -7.299 13.364 -8.750 346 HB2 ALA 48 HB2 ALA 48 -7.572 12.296 -7.373 347 HB3 ALA 48 HB3 ALA 48 -6.400 13.609 -7.253 348 H GLU 49 H GLU 49 -6.426 12.208 -10.860 349 HA GLU 49 HA GLU 49 -8.127 9.938 -10.976 350 HB2 GLU 49 HB2 GLU 49 -8.261 10.479 -13.435 351 HB3 GLU 49 HB3 GLU 49 -8.756 11.751 -12.333 352 HG2 GLU 49 HG2 GLU 49 -7.535 12.932 -13.852 353 HG3 GLU 49 HG3 GLU 49 -6.303 12.582 -12.642 354 H LYS 50 H LYS 50 -4.796 10.469 -11.922 355 HA LYS 50 HA LYS 50 -4.584 8.009 -13.367 356 HB2 LYS 50 HB2 LYS 50 -2.120 8.430 -13.211 357 HB3 LYS 50 HB3 LYS 50 -3.048 9.719 -13.959 358 HG2 LYS 50 HG2 LYS 50 -2.971 10.987 -11.877 359 HG3 LYS 50 HG3 LYS 50 -2.048 9.687 -11.122 360 HD2 LYS 50 HD2 LYS 50 -1.151 11.236 -13.548 361 HD3 LYS 50 HD3 LYS 50 -0.655 11.596 -11.894 362 HE2 LYS 50 HE2 LYS 50 0.239 9.265 -11.741 363 HE3 LYS 50 HE3 LYS 50 -0.110 9.079 -13.460 364 HZ1 LYS 50 HZ1 LYS 50 1.709 11.115 -12.287 365 HZ2 LYS 50 HZ2 LYS 50 2.195 9.691 -13.070 366 HZ3 LYS 50 HZ3 LYS 50 1.390 10.900 -13.940 367 H ALA 51 H ALA 51 -4.281 8.938 -10.041 368 HA ALA 51 HA ALA 51 -2.809 6.650 -9.191 369 HB1 ALA 51 HB1 ALA 51 -4.610 8.463 -7.592 370 HB2 ALA 51 HB2 ALA 51 -3.441 7.317 -6.937 371 HB3 ALA 51 HB3 ALA 51 -2.886 8.706 -7.872 372 H GLY 52 H GLY 52 -5.975 7.117 -10.217 373 HA2 GLY 52 HA2 GLY 52 -7.434 5.281 -10.631 374 HA3 GLY 52 HA3 GLY 52 -6.707 4.433 -9.274 375 H LEU 53 H LEU 53 -7.220 7.565 -8.359 376 HA LEU 53 HA LEU 53 -9.355 6.835 -6.597 377 HB2 LEU 53 HB2 LEU 53 -7.487 8.355 -5.979 378 HB3 LEU 53 HB3 LEU 53 -8.097 9.535 -7.120 379 HG LEU 53 HG LEU 53 -10.100 8.716 -5.148 380 HD11 LEU 53 HD11 LEU 53 -7.619 10.158 -4.220 381 HD12 LEU 53 HD12 LEU 53 -9.090 9.900 -3.280 382 HD13 LEU 53 HD13 LEU 53 -8.093 8.523 -3.755 383 HD21 LEU 53 HD21 LEU 53 -10.392 11.135 -4.986 384 HD22 LEU 53 HD22 LEU 53 -8.942 11.383 -5.961 385 HD23 LEU 53 HD23 LEU 53 -10.362 10.614 -6.671 386 H LEU 54 H LEU 54 -11.497 7.216 -6.811 387 HA LEU 54 HA LEU 54 -12.360 8.517 -9.308 388 HB2 LEU 54 HB2 LEU 54 -13.760 6.498 -7.555 389 HB3 LEU 54 HB3 LEU 54 -14.465 7.237 -8.979 390 HG LEU 54 HG LEU 54 -12.009 5.481 -8.978 391 HD11 LEU 54 HD11 LEU 54 -14.846 4.897 -9.817 392 HD12 LEU 54 HD12 LEU 54 -13.462 3.832 -10.062 393 HD13 LEU 54 HD13 LEU 54 -14.003 4.212 -8.427 394 HD21 LEU 54 HD21 LEU 54 -13.622 6.634 -11.253 395 HD22 LEU 54 HD22 LEU 54 -12.000 7.132 -10.777 396 HD23 LEU 54 HD23 LEU 54 -12.273 5.509 -11.409 397 H ALA 55 H ALA 55 -14.581 9.521 -9.162 398 HA ALA 55 HA ALA 55 -14.385 11.537 -7.079 399 HB1 ALA 55 HB1 ALA 55 -15.924 12.827 -8.441 400 HB2 ALA 55 HB2 ALA 55 -14.593 12.221 -9.426 401 HB3 ALA 55 HB3 ALA 55 -16.174 11.443 -9.504 402 H GLY 56 H GLY 56 -15.306 9.024 -6.149 403 HA2 GLY 56 HA2 GLY 56 -17.619 9.962 -4.746 404 HA3 GLY 56 HA3 GLY 56 -18.025 8.698 -5.893 405 H ASP 57 H ASP 57 -14.895 8.498 -4.512 406 HA ASP 57 HA ASP 57 -15.622 5.958 -3.359 407 HB2 ASP 57 HB2 ASP 57 -12.966 7.386 -3.533 408 HB3 ASP 57 HB3 ASP 57 -13.190 5.773 -2.866 409 H ARG 58 H ARG 58 -15.170 5.305 -1.233 410 HA ARG 58 HA ARG 58 -15.200 7.434 0.785 411 HB2 ARG 58 HB2 ARG 58 -15.259 4.449 1.276 412 HB3 ARG 58 HB3 ARG 58 -15.717 5.724 2.390 413 HG2 ARG 58 HG2 ARG 58 -17.671 6.229 1.030 414 HG3 ARG 58 HG3 ARG 58 -17.199 4.976 -0.120 415 HD2 ARG 58 HD2 ARG 58 -18.851 4.006 1.274 416 HD3 ARG 58 HD3 ARG 58 -17.306 3.339 1.795 417 HE ARG 58 HE ARG 58 -18.731 5.503 3.227 418 HH11 ARG 58 HH11 ARG 58 -16.744 2.595 3.249 419 HH12 ARG 58 HH12 ARG 58 -16.712 2.488 4.975 420 HH21 ARG 58 HH21 ARG 58 -18.699 5.327 5.517 421 HH22 ARG 58 HH22 ARG 58 -17.807 4.031 6.259 422 H LEU 59 H LEU 59 -13.469 7.784 2.153 423 HA LEU 59 HA LEU 59 -10.977 6.477 1.387 424 HB2 LEU 59 HB2 LEU 59 -11.102 8.964 1.605 425 HB3 LEU 59 HB3 LEU 59 -11.400 8.760 3.321 426 HG LEU 59 HG LEU 59 -9.193 7.718 3.593 427 HD11 LEU 59 HD11 LEU 59 -8.816 8.337 0.665 428 HD12 LEU 59 HD12 LEU 59 -7.587 7.716 1.765 429 HD13 LEU 59 HD13 LEU 59 -8.991 6.728 1.363 430 HD21 LEU 59 HD21 LEU 59 -9.405 10.124 3.886 431 HD22 LEU 59 HD22 LEU 59 -7.838 9.712 3.187 432 HD23 LEU 59 HD23 LEU 59 -9.114 10.371 2.163 433 H VAL 60 H VAL 60 -10.324 4.749 2.433 434 HA VAL 60 HA VAL 60 -11.532 4.038 4.984 435 HB VAL 60 HB VAL 60 -9.610 2.492 3.234 436 HG11 VAL 60 HG11 VAL 60 -11.226 1.596 5.617 437 HG12 VAL 60 HG12 VAL 60 -10.268 0.547 4.570 438 HG13 VAL 60 HG13 VAL 60 -9.473 1.779 5.550 439 HG21 VAL 60 HG21 VAL 60 -11.721 2.851 2.113 440 HG22 VAL 60 HG22 VAL 60 -11.600 1.168 2.623 441 HG23 VAL 60 HG23 VAL 60 -12.604 2.297 3.534 442 H GLU 61 H GLU 61 -8.249 4.336 3.651 443 HA GLU 61 HA GLU 61 -7.344 5.275 6.249 444 HB2 GLU 61 HB2 GLU 61 -5.512 3.732 6.399 445 HB3 GLU 61 HB3 GLU 61 -6.998 2.809 6.230 446 HG2 GLU 61 HG2 GLU 61 -6.206 1.779 4.448 447 HG3 GLU 61 HG3 GLU 61 -5.906 3.320 3.644 448 H VAL 62 H VAL 62 -5.224 6.241 6.168 449 HA VAL 62 HA VAL 62 -4.303 6.988 3.488 450 HB VAL 62 HB VAL 62 -5.652 8.860 4.057 451 HG11 VAL 62 HG11 VAL 62 -5.991 8.348 6.390 452 HG12 VAL 62 HG12 VAL 62 -4.335 8.835 6.757 453 HG13 VAL 62 HG13 VAL 62 -5.502 10.028 6.185 454 HG21 VAL 62 HG21 VAL 62 -3.447 9.491 3.196 455 HG22 VAL 62 HG22 VAL 62 -4.051 10.694 4.338 456 HG23 VAL 62 HG23 VAL 62 -2.815 9.544 4.845 457 H ASN 63 H ASN 63 -2.219 6.602 3.311 458 HA ASN 63 HA ASN 63 -0.025 6.250 3.777 459 HB2 ASN 63 HB2 ASN 63 -0.646 8.296 5.905 460 HB3 ASN 63 HB3 ASN 63 0.979 7.698 5.593 461 HD21 ASN 63 HD21 ASN 63 -0.218 10.380 5.309 462 HD22 ASN 63 HD22 ASN 63 0.091 10.845 3.680 463 H GLY 64 H GLY 64 -2.008 4.485 5.033 464 HA2 GLY 64 HA2 GLY 64 -1.414 2.442 6.041 465 HA3 GLY 64 HA3 GLY 64 -0.070 3.244 6.837 466 H GLU 65 H GLU 65 -2.339 5.383 7.496 467 HA GLU 65 HA GLU 65 -3.058 3.972 9.964 468 HB2 GLU 65 HB2 GLU 65 -3.387 6.156 10.990 469 HB3 GLU 65 HB3 GLU 65 -1.782 6.035 10.289 470 HG2 GLU 65 HG2 GLU 65 -2.683 7.280 8.297 471 HG3 GLU 65 HG3 GLU 65 -4.140 7.572 9.247 472 H ASN 66 H ASN 66 -5.123 3.799 10.652 473 HA ASN 66 HA ASN 66 -7.080 3.766 8.535 474 HB2 ASN 66 HB2 ASN 66 -6.741 1.921 10.226 475 HB3 ASN 66 HB3 ASN 66 -7.436 2.992 11.436 476 HD21 ASN 66 HD21 ASN 66 -8.479 2.716 8.082 477 HD22 ASN 66 HD22 ASN 66 -10.041 2.054 8.441 478 H VAL 67 H VAL 67 -8.463 5.382 8.132 479 HA VAL 67 HA VAL 67 -8.907 7.369 10.264 480 HB VAL 67 HB VAL 67 -9.076 9.076 8.445 481 HG11 VAL 67 HG11 VAL 67 -6.468 7.577 8.579 482 HG12 VAL 67 HG12 VAL 67 -6.675 9.251 8.067 483 HG13 VAL 67 HG13 VAL 67 -7.024 8.787 9.734 484 HG21 VAL 67 HG21 VAL 67 -8.186 8.543 6.233 485 HG22 VAL 67 HG22 VAL 67 -8.030 6.851 6.704 486 HG23 VAL 67 HG23 VAL 67 -9.626 7.591 6.591 487 H GLU 68 H GLU 68 -10.586 5.161 9.904 488 HA GLU 68 HA GLU 68 -12.847 5.961 8.299 489 HB2 GLU 68 HB2 GLU 68 -12.346 3.582 10.075 490 HB3 GLU 68 HB3 GLU 68 -13.870 3.851 9.245 491 HG2 GLU 68 HG2 GLU 68 -12.728 3.760 7.097 492 HG3 GLU 68 HG3 GLU 68 -11.188 3.517 7.923 493 H LYS 69 H LYS 69 -11.863 6.545 11.521 494 HA LYS 69 HA LYS 69 -14.664 7.130 12.231 495 HB2 LYS 69 HB2 LYS 69 -12.510 5.997 14.008 496 HB3 LYS 69 HB3 LYS 69 -14.049 6.610 14.597 497 HG2 LYS 69 HG2 LYS 69 -13.755 4.350 12.631 498 HG3 LYS 69 HG3 LYS 69 -13.975 4.152 14.369 499 HD2 LYS 69 HD2 LYS 69 -15.900 5.529 12.490 500 HD3 LYS 69 HD3 LYS 69 -16.096 3.906 13.150 501 HE2 LYS 69 HE2 LYS 69 -15.910 6.417 14.818 502 HE3 LYS 69 HE3 LYS 69 -17.423 5.659 14.331 503 HZ1 LYS 69 HZ1 LYS 69 -15.318 4.303 15.931 504 HZ2 LYS 69 HZ2 LYS 69 -16.681 5.059 16.595 505 HZ3 LYS 69 HZ3 LYS 69 -16.869 3.719 15.579 506 H GLU 70 H GLU 70 -11.727 8.583 11.661 507 HA GLU 70 HA GLU 70 -12.085 10.562 13.770 508 HB2 GLU 70 HB2 GLU 70 -9.994 11.579 12.949 509 HB3 GLU 70 HB3 GLU 70 -9.808 9.901 13.424 510 HG2 GLU 70 HG2 GLU 70 -9.913 9.263 11.037 511 HG3 GLU 70 HG3 GLU 70 -9.962 10.979 10.623 512 H THR 71 H THR 71 -11.870 12.930 13.083 513 HA THR 71 HA THR 71 -14.301 13.366 11.706 514 HB THR 71 HB THR 71 -14.039 15.698 12.171 515 HG1 THR 71 HG1 THR 71 -11.833 16.192 13.268 516 HG21 THR 71 HG21 THR 71 -12.807 14.118 14.425 517 HG22 THR 71 HG22 THR 71 -13.601 15.687 14.565 518 HG23 THR 71 HG23 THR 71 -14.535 14.265 14.099 519 H HIS 72 H HIS 72 -14.606 14.949 9.954 520 HA HIS 72 HA HIS 72 -13.248 14.262 7.627 521 HB2 HIS 72 HB2 HIS 72 -15.425 15.244 7.464 522 HB3 HIS 72 HB3 HIS 72 -14.905 16.690 8.321 523 HD1 HIS 72 HD1 HIS 72 -14.106 14.912 5.051 524 HD2 HIS 72 HD2 HIS 72 -14.276 18.730 6.667 525 HE1 HIS 72 HE1 HIS 72 -13.593 16.470 3.151 526 HE2 HIS 72 HE2 HIS 72 -13.989 18.771 4.095 527 H GLN 73 H GLN 73 -12.803 17.014 9.806 528 HA GLN 73 HA GLN 73 -10.827 18.345 8.309 529 HB2 GLN 73 HB2 GLN 73 -12.116 19.318 10.209 530 HB3 GLN 73 HB3 GLN 73 -11.158 18.339 11.312 531 HG2 GLN 73 HG2 GLN 73 -9.148 19.503 10.657 532 HG3 GLN 73 HG3 GLN 73 -10.043 20.421 9.444 533 HE21 GLN 73 HE21 GLN 73 -8.497 21.397 11.707 534 HE22 GLN 73 HE22 GLN 73 -9.594 22.316 12.681 535 H GLN 74 H GLN 74 -10.579 15.898 10.869 536 HA GLN 74 HA GLN 74 -7.786 15.873 11.084 537 HB2 GLN 74 HB2 GLN 74 -9.796 13.670 11.546 538 HB3 GLN 74 HB3 GLN 74 -8.092 13.541 11.960 539 HG2 GLN 74 HG2 GLN 74 -10.033 15.546 13.078 540 HG3 GLN 74 HG3 GLN 74 -9.442 14.105 13.900 541 HE21 GLN 74 HE21 GLN 74 -9.252 16.929 14.627 542 HE22 GLN 74 HE22 GLN 74 -7.561 17.251 14.824 543 H VAL 75 H VAL 75 -9.967 13.942 9.068 544 HA VAL 75 HA VAL 75 -8.055 12.299 7.873 545 HB VAL 75 HB VAL 75 -10.704 13.259 6.786 546 HG11 VAL 75 HG11 VAL 75 -9.326 12.503 4.942 547 HG12 VAL 75 HG12 VAL 75 -8.931 11.023 5.814 548 HG13 VAL 75 HG13 VAL 75 -10.585 11.315 5.278 549 HG21 VAL 75 HG21 VAL 75 -11.509 11.076 7.537 550 HG22 VAL 75 HG22 VAL 75 -9.905 10.695 8.163 551 HG23 VAL 75 HG23 VAL 75 -10.843 12.006 8.879 552 H VAL 76 H VAL 76 -9.279 15.466 6.786 553 HA VAL 76 HA VAL 76 -7.801 15.513 4.376 554 HB VAL 76 HB VAL 76 -8.697 17.899 6.005 555 HG11 VAL 76 HG11 VAL 76 -8.610 19.134 3.935 556 HG12 VAL 76 HG12 VAL 76 -7.038 18.385 4.224 557 HG13 VAL 76 HG13 VAL 76 -8.150 17.683 3.045 558 HG21 VAL 76 HG21 VAL 76 -10.689 17.895 4.583 559 HG22 VAL 76 HG22 VAL 76 -10.145 16.399 3.826 560 HG23 VAL 76 HG23 VAL 76 -10.572 16.418 5.538 561 H SER 77 H SER 77 -7.060 16.497 7.670 562 HA SER 77 HA SER 77 -4.597 17.768 7.171 563 HB2 SER 77 HB2 SER 77 -5.887 17.877 9.323 564 HB3 SER 77 HB3 SER 77 -5.390 16.219 9.652 565 HG SER 77 HG SER 77 -3.961 18.577 9.833 566 H ARG 78 H ARG 78 -5.492 14.403 7.683 567 HA ARG 78 HA ARG 78 -2.954 13.247 7.891 568 HB2 ARG 78 HB2 ARG 78 -5.415 12.101 6.565 569 HB3 ARG 78 HB3 ARG 78 -4.032 11.182 7.137 570 HG2 ARG 78 HG2 ARG 78 -5.754 12.857 8.935 571 HG3 ARG 78 HG3 ARG 78 -6.057 11.150 8.611 572 HD2 ARG 78 HD2 ARG 78 -4.037 10.497 9.619 573 HD3 ARG 78 HD3 ARG 78 -3.417 12.145 9.620 574 HE ARG 78 HE ARG 78 -5.827 11.649 11.187 575 HH11 ARG 78 HH11 ARG 78 -2.340 11.966 11.153 576 HH12 ARG 78 HH12 ARG 78 -2.219 12.346 12.838 577 HH21 ARG 78 HH21 ARG 78 -5.678 12.127 13.415 578 HH22 ARG 78 HH22 ARG 78 -4.122 12.433 14.136 579 H ILE 79 H ILE 79 -4.936 13.994 5.071 580 HA ILE 79 HA ILE 79 -3.216 12.844 3.140 581 HB ILE 79 HB ILE 79 -5.218 15.075 2.729 582 HG12 ILE 79 HG12 ILE 79 -5.635 12.079 2.552 583 HG13 ILE 79 HG13 ILE 79 -6.201 13.100 3.870 584 HG21 ILE 79 HG21 ILE 79 -3.689 14.740 0.850 585 HG22 ILE 79 HG22 ILE 79 -4.105 13.026 0.812 586 HG23 ILE 79 HG23 ILE 79 -5.328 14.239 0.434 587 HD11 ILE 79 HD11 ILE 79 -7.063 13.277 0.992 588 HD12 ILE 79 HD12 ILE 79 -7.995 12.599 2.326 589 HD13 ILE 79 HD13 ILE 79 -7.622 14.322 2.299 590 H ARG 80 H ARG 80 -3.614 16.154 4.347 591 HA ARG 80 HA ARG 80 -1.732 17.320 2.575 592 HB2 ARG 80 HB2 ARG 80 -2.861 18.273 5.201 593 HB3 ARG 80 HB3 ARG 80 -1.795 19.243 4.196 594 HG2 ARG 80 HG2 ARG 80 -3.438 19.081 2.358 595 HG3 ARG 80 HG3 ARG 80 -4.517 18.202 3.443 596 HD2 ARG 80 HD2 ARG 80 -5.109 20.567 3.329 597 HD3 ARG 80 HD3 ARG 80 -4.579 20.116 4.949 598 HE ARG 80 HE ARG 80 -2.419 21.124 3.394 599 HH11 ARG 80 HH11 ARG 80 -5.227 22.118 5.243 600 HH12 ARG 80 HH12 ARG 80 -4.590 23.702 5.585 601 HH21 ARG 80 HH21 ARG 80 -1.566 23.170 3.869 602 HH22 ARG 80 HH22 ARG 80 -2.489 24.290 4.831 603 H ALA 81 H ALA 81 -1.430 15.631 5.567 604 HA ALA 81 HA ALA 81 1.043 16.689 6.446 605 HB1 ALA 81 HB1 ALA 81 -0.209 14.010 7.033 606 HB2 ALA 81 HB2 ALA 81 1.107 14.762 7.938 607 HB3 ALA 81 HB3 ALA 81 -0.492 15.504 7.929 608 H ALA 82 H ALA 82 0.311 14.725 3.828 609 HA ALA 82 HA ALA 82 2.662 13.066 3.895 610 HB1 ALA 82 HB1 ALA 82 0.472 12.382 2.929 611 HB2 ALA 82 HB2 ALA 82 0.773 13.515 1.613 612 HB3 ALA 82 HB3 ALA 82 1.856 12.145 1.861 613 H LEU 83 H LEU 83 1.880 16.158 2.788 614 HA LEU 83 HA LEU 83 3.113 17.824 1.894 615 HB2 LEU 83 HB2 LEU 83 5.391 15.850 1.869 616 HB3 LEU 83 HB3 LEU 83 5.529 17.575 1.589 617 HG LEU 83 HG LEU 83 4.628 16.307 4.177 618 HD11 LEU 83 HD11 LEU 83 7.257 17.556 3.397 619 HD12 LEU 83 HD12 LEU 83 6.806 17.063 5.030 620 HD13 LEU 83 HD13 LEU 83 6.969 15.853 3.756 621 HD21 LEU 83 HD21 LEU 83 3.658 18.516 3.797 622 HD22 LEU 83 HD22 LEU 83 4.857 18.558 5.090 623 HD23 LEU 83 HD23 LEU 83 5.266 19.172 3.488 624 H ASN 84 H ASN 84 4.742 15.144 0.207 625 HA ASN 84 HA ASN 84 3.845 16.406 -2.300 626 HB2 ASN 84 HB2 ASN 84 6.267 16.521 -1.933 627 HB3 ASN 84 HB3 ASN 84 6.336 14.771 -1.777 628 HD21 ASN 84 HD21 ASN 84 6.223 13.495 -3.613 629 HD22 ASN 84 HD22 ASN 84 6.349 14.148 -5.208 630 H ALA 85 H ALA 85 4.076 13.361 -0.578 631 HA ALA 85 HA ALA 85 2.510 12.099 -2.711 632 HB1 ALA 85 HB1 ALA 85 4.993 10.853 -1.537 633 HB2 ALA 85 HB2 ALA 85 3.904 10.101 -2.702 634 HB3 ALA 85 HB3 ALA 85 4.847 11.518 -3.164 635 H VAL 86 H VAL 86 0.965 10.744 -1.995 636 HA VAL 86 HA VAL 86 0.940 9.998 0.839 637 HB VAL 86 HB VAL 86 -0.201 12.092 0.867 638 HG11 VAL 86 HG11 VAL 86 -0.669 12.358 -1.484 639 HG12 VAL 86 HG12 VAL 86 -1.886 11.083 -1.410 640 HG13 VAL 86 HG13 VAL 86 -2.139 12.596 -0.540 641 HG21 VAL 86 HG21 VAL 86 -2.465 11.469 1.582 642 HG22 VAL 86 HG22 VAL 86 -2.228 9.867 0.881 643 HG23 VAL 86 HG23 VAL 86 -1.233 10.392 2.239 644 H ARG 87 H ARG 87 -0.116 8.114 1.283 645 HA ARG 87 HA ARG 87 -1.107 6.603 -1.009 646 HB2 ARG 87 HB2 ARG 87 0.116 5.014 -0.031 647 HB3 ARG 87 HB3 ARG 87 0.266 5.934 1.458 648 HG2 ARG 87 HG2 ARG 87 -1.860 5.030 2.237 649 HG3 ARG 87 HG3 ARG 87 -2.048 4.146 0.720 650 HD2 ARG 87 HD2 ARG 87 -0.105 2.810 1.197 651 HD3 ARG 87 HD3 ARG 87 0.264 3.777 2.624 652 HE ARG 87 HE ARG 87 -2.109 2.896 3.334 653 HH11 ARG 87 HH11 ARG 87 0.405 1.087 1.645 654 HH12 ARG 87 HH12 ARG 87 -0.050 -0.428 2.365 655 HH21 ARG 87 HH21 ARG 87 -2.676 0.902 4.288 656 HH22 ARG 87 HH22 ARG 87 -1.796 -0.549 3.857 657 H LEU 88 H LEU 88 -3.154 6.630 -1.445 658 HA LEU 88 HA LEU 88 -5.118 7.084 0.711 659 HB2 LEU 88 HB2 LEU 88 -5.284 7.598 -2.269 660 HB3 LEU 88 HB3 LEU 88 -6.648 7.735 -1.185 661 HG LEU 88 HG LEU 88 -5.792 9.928 -1.716 662 HD11 LEU 88 HD11 LEU 88 -6.692 9.628 0.517 663 HD12 LEU 88 HD12 LEU 88 -5.107 9.132 1.109 664 HD13 LEU 88 HD13 LEU 88 -5.359 10.782 0.539 665 HD21 LEU 88 HD21 LEU 88 -3.569 10.648 -1.162 666 HD22 LEU 88 HD22 LEU 88 -3.173 9.045 -0.539 667 HD23 LEU 88 HD23 LEU 88 -3.500 9.266 -2.256 668 H LEU 89 H LEU 89 -6.320 5.345 1.257 669 HA LEU 89 HA LEU 89 -6.730 3.284 -0.802 670 HB2 LEU 89 HB2 LEU 89 -5.842 2.508 1.379 671 HB3 LEU 89 HB3 LEU 89 -7.303 3.099 2.155 672 HG LEU 89 HG LEU 89 -8.610 1.543 0.666 673 HD11 LEU 89 HD11 LEU 89 -5.865 0.441 0.088 674 HD12 LEU 89 HD12 LEU 89 -7.391 -0.335 -0.335 675 HD13 LEU 89 HD13 LEU 89 -6.950 1.207 -1.072 676 HD21 LEU 89 HD21 LEU 89 -8.146 -0.419 2.009 677 HD22 LEU 89 HD22 LEU 89 -6.616 0.283 2.533 678 HD23 LEU 89 HD23 LEU 89 -8.140 1.038 3.002 679 H VAL 90 H VAL 90 -8.630 3.137 -1.776 680 HA VAL 90 HA VAL 90 -10.911 4.575 -0.615 681 HB VAL 90 HB VAL 90 -11.444 5.443 -2.914 682 HG11 VAL 90 HG11 VAL 90 -10.479 6.895 -1.210 683 HG12 VAL 90 HG12 VAL 90 -8.857 6.394 -1.689 684 HG13 VAL 90 HG13 VAL 90 -9.862 7.310 -2.810 685 HG21 VAL 90 HG21 VAL 90 -9.619 5.584 -4.545 686 HG22 VAL 90 HG22 VAL 90 -8.612 4.588 -3.493 687 HG23 VAL 90 HG23 VAL 90 -10.072 3.911 -4.214 688 H VAL 91 H VAL 91 -12.970 3.932 -1.374 689 HA VAL 91 HA VAL 91 -13.161 1.576 -3.062 690 HB VAL 91 HB VAL 91 -12.776 0.640 -0.824 691 HG11 VAL 91 HG11 VAL 91 -15.260 2.143 -0.023 692 HG12 VAL 91 HG12 VAL 91 -14.424 0.944 0.966 693 HG13 VAL 91 HG13 VAL 91 -13.617 2.455 0.538 694 HG21 VAL 91 HG21 VAL 91 -14.172 -0.615 -2.353 695 HG22 VAL 91 HG22 VAL 91 -14.755 -0.812 -0.700 696 HG23 VAL 91 HG23 VAL 91 -15.601 0.265 -1.813 697 H ASP 92 H ASP 92 -15.174 1.372 -4.048 698 HA ASP 92 HA ASP 92 -16.814 3.672 -4.256 699 HB2 ASP 92 HB2 ASP 92 -17.460 0.818 -5.048 700 HB3 ASP 92 HB3 ASP 92 -18.323 2.251 -5.588 701 HA PRO 93 HA PRO 93 -19.498 3.353 -0.769 702 HB2 PRO 93 HB2 PRO 93 -21.681 4.137 -2.621 703 HB3 PRO 93 HB3 PRO 93 -21.156 4.893 -1.112 704 HG2 PRO 93 HG2 PRO 93 -20.581 6.012 -3.453 705 HG3 PRO 93 HG3 PRO 93 -19.399 6.017 -2.129 706 HD2 PRO 93 HD2 PRO 93 -19.493 4.301 -4.579 707 HD3 PRO 93 HD3 PRO 93 -18.093 5.036 -3.769 708 H GLU 94 H GLU 94 -20.848 2.070 -3.811 709 HA GLU 94 HA GLU 94 -22.654 0.290 -2.498 710 HB2 GLU 94 HB2 GLU 94 -21.610 0.335 -5.331 711 HB3 GLU 94 HB3 GLU 94 -22.853 -0.769 -4.757 712 HG2 GLU 94 HG2 GLU 94 -24.230 1.212 -4.144 713 HG3 GLU 94 HG3 GLU 94 -23.014 2.226 -4.923 714 H THR 95 H THR 95 -19.491 -0.079 -4.026 715 HA THR 95 HA THR 95 -19.256 -2.851 -3.717 716 HB THR 95 HB THR 95 -16.947 -0.905 -3.674 717 HG1 THR 95 HG1 THR 95 -17.108 -0.973 -5.973 718 HG21 THR 95 HG21 THR 95 -16.381 -3.266 -3.320 719 HG22 THR 95 HG22 THR 95 -17.247 -3.696 -4.796 720 HG23 THR 95 HG23 THR 95 -15.792 -2.701 -4.884 721 H ASP 96 H ASP 96 -18.285 -0.160 -1.637 722 HA ASP 96 HA ASP 96 -16.883 -1.567 0.323 723 HB2 ASP 96 HB2 ASP 96 -16.805 0.841 0.205 724 HB3 ASP 96 HB3 ASP 96 -18.537 0.958 0.481 725 H GLU 97 H GLU 97 -20.316 -0.841 0.053 726 HA GLU 97 HA GLU 97 -21.146 -1.811 2.543 727 HB2 GLU 97 HB2 GLU 97 -22.531 -0.431 1.015 728 HB3 GLU 97 HB3 GLU 97 -22.680 -1.814 -0.060 729 HG2 GLU 97 HG2 GLU 97 -23.785 -3.064 1.758 730 HG3 GLU 97 HG3 GLU 97 -23.718 -1.610 2.754 731 H GLN 98 H GLN 98 -20.832 -3.421 -0.593 732 HA GLN 98 HA GLN 98 -21.703 -5.960 0.360 733 HB2 GLN 98 HB2 GLN 98 -21.796 -5.270 -2.016 734 HB3 GLN 98 HB3 GLN 98 -20.040 -5.285 -2.072 735 HG2 GLN 98 HG2 GLN 98 -20.006 -7.660 -1.676 736 HG3 GLN 98 HG3 GLN 98 -21.760 -7.680 -1.479 737 HE21 GLN 98 HE21 GLN 98 -19.138 -7.311 -3.720 738 HE22 GLN 98 HE22 GLN 98 -20.059 -7.554 -5.166 739 H LEU 99 H LEU 99 -18.579 -4.380 -0.026 740 HA LEU 99 HA LEU 99 -16.998 -6.686 0.401 741 HB2 LEU 99 HB2 LEU 99 -16.252 -3.793 0.778 742 HB3 LEU 99 HB3 LEU 99 -15.127 -5.135 0.695 743 HG LEU 99 HG LEU 99 -16.826 -3.994 -1.501 744 HD11 LEU 99 HD11 LEU 99 -14.725 -2.897 -1.192 745 HD12 LEU 99 HD12 LEU 99 -13.872 -4.442 -1.183 746 HD13 LEU 99 HD13 LEU 99 -14.657 -3.877 -2.658 747 HD21 LEU 99 HD21 LEU 99 -16.079 -5.813 -2.938 748 HD22 LEU 99 HD22 LEU 99 -15.304 -6.592 -1.558 749 HD23 LEU 99 HD23 LEU 99 -17.058 -6.414 -1.598 750 H GLN 100 H GLN 100 -18.323 -4.292 2.628 751 HA GLN 100 HA GLN 100 -16.821 -5.085 4.878 752 HB2 GLN 100 HB2 GLN 100 -18.515 -4.003 6.241 753 HB3 GLN 100 HB3 GLN 100 -18.135 -3.007 4.844 754 HG2 GLN 100 HG2 GLN 100 -20.166 -3.802 3.739 755 HG3 GLN 100 HG3 GLN 100 -20.549 -4.771 5.162 756 HE21 GLN 100 HE21 GLN 100 -21.223 -3.749 7.038 757 HE22 GLN 100 HE22 GLN 100 -21.771 -2.110 7.051 758 H LYS 101 H LYS 101 -19.706 -6.381 3.390 759 HA LYS 101 HA LYS 101 -20.367 -8.248 5.428 760 HB2 LYS 101 HB2 LYS 101 -21.020 -8.090 2.488 761 HB3 LYS 101 HB3 LYS 101 -21.595 -9.403 3.506 762 HG2 LYS 101 HG2 LYS 101 -22.136 -6.504 4.095 763 HG3 LYS 101 HG3 LYS 101 -23.212 -7.524 3.140 764 HD2 LYS 101 HD2 LYS 101 -22.363 -8.060 5.988 765 HD3 LYS 101 HD3 LYS 101 -23.919 -7.393 5.492 766 HE2 LYS 101 HE2 LYS 101 -24.372 -9.437 4.209 767 HE3 LYS 101 HE3 LYS 101 -22.828 -10.101 4.740 768 HZ1 LYS 101 HZ1 LYS 101 -23.608 -10.043 7.016 769 HZ2 LYS 101 HZ2 LYS 101 -25.082 -9.359 6.531 770 HZ3 LYS 101 HZ3 LYS 101 -24.678 -10.937 6.057 771 H LEU 102 H LEU 102 -17.951 -8.147 3.010 772 HA LEU 102 HA LEU 102 -17.404 -11.008 3.176 773 HB2 LEU 102 HB2 LEU 102 -15.834 -8.892 1.698 774 HB3 LEU 102 HB3 LEU 102 -15.752 -10.627 1.466 775 HG LEU 102 HG LEU 102 -18.110 -8.863 0.780 776 HD11 LEU 102 HD11 LEU 102 -16.114 -10.283 -0.981 777 HD12 LEU 102 HD12 LEU 102 -17.560 -9.445 -1.546 778 HD13 LEU 102 HD13 LEU 102 -16.268 -8.539 -0.759 779 HD21 LEU 102 HD21 LEU 102 -17.705 -11.823 0.367 780 HD22 LEU 102 HD22 LEU 102 -18.843 -11.070 1.485 781 HD23 LEU 102 HD23 LEU 102 -19.054 -10.872 -0.255 782 H GLY 103 H GLY 103 -15.506 -8.029 3.520 783 HA2 GLY 103 HA2 GLY 103 -14.017 -7.306 5.088 784 HA3 GLY 103 HA3 GLY 103 -15.073 -8.122 6.220 785 H VAL 104 H VAL 104 -13.264 -9.936 3.829 786 HA VAL 104 HA VAL 104 -11.920 -11.234 6.050 787 HB VAL 104 HB VAL 104 -13.027 -12.724 4.538 788 HG11 VAL 104 HG11 VAL 104 -11.328 -11.564 2.342 789 HG12 VAL 104 HG12 VAL 104 -12.384 -12.969 2.187 790 HG13 VAL 104 HG13 VAL 104 -13.070 -11.379 2.532 791 HG21 VAL 104 HG21 VAL 104 -11.181 -14.211 3.897 792 HG22 VAL 104 HG22 VAL 104 -10.040 -12.900 4.195 793 HG23 VAL 104 HG23 VAL 104 -10.988 -13.563 5.526 794 H GLN 105 H GLN 105 -10.523 -9.456 6.494 795 HA GLN 105 HA GLN 105 -8.391 -8.671 6.683 796 HB2 GLN 105 HB2 GLN 105 -7.703 -10.849 4.708 797 HB3 GLN 105 HB3 GLN 105 -6.563 -9.978 5.722 798 HG2 GLN 105 HG2 GLN 105 -7.435 -10.978 7.694 799 HG3 GLN 105 HG3 GLN 105 -8.797 -11.668 6.812 800 HE21 GLN 105 HE21 GLN 105 -8.447 -13.434 5.451 801 HE22 GLN 105 HE22 GLN 105 -7.041 -14.429 5.596 802 H VAL 106 H VAL 106 -10.155 -8.067 4.087 803 HA VAL 106 HA VAL 106 -8.101 -7.566 2.141 804 HB VAL 106 HB VAL 106 -10.455 -8.432 1.678 805 HG11 VAL 106 HG11 VAL 106 -12.125 -6.706 1.130 806 HG12 VAL 106 HG12 VAL 106 -11.752 -6.782 2.853 807 HG13 VAL 106 HG13 VAL 106 -11.073 -5.492 1.859 808 HG21 VAL 106 HG21 VAL 106 -10.490 -7.362 -0.537 809 HG22 VAL 106 HG22 VAL 106 -9.283 -6.205 0.028 810 HG23 VAL 106 HG23 VAL 106 -8.884 -7.922 -0.070 811 H ARG 107 H ARG 107 -8.986 -5.767 4.743 812 HA ARG 107 HA ARG 107 -9.240 -3.208 3.424 813 HB2 ARG 107 HB2 ARG 107 -8.952 -3.884 6.354 814 HB3 ARG 107 HB3 ARG 107 -9.243 -2.269 5.721 815 HG2 ARG 107 HG2 ARG 107 -11.360 -3.035 4.760 816 HG3 ARG 107 HG3 ARG 107 -11.069 -4.641 5.428 817 HD2 ARG 107 HD2 ARG 107 -10.978 -3.603 7.693 818 HD3 ARG 107 HD3 ARG 107 -11.465 -2.077 6.958 819 HE ARG 107 HE ARG 107 -13.568 -3.078 6.384 820 HH11 ARG 107 HH11 ARG 107 -11.580 -4.846 8.667 821 HH12 ARG 107 HH12 ARG 107 -12.865 -5.914 9.153 822 HH21 ARG 107 HH21 ARG 107 -15.256 -4.433 7.053 823 HH22 ARG 107 HH22 ARG 107 -14.968 -5.679 8.232 824 H GLU 108 H GLU 108 -6.654 -5.164 4.454 825 HA GLU 108 HA GLU 108 -4.739 -3.189 3.649 826 HB2 GLU 108 HB2 GLU 108 -5.502 -2.939 6.237 827 HB3 GLU 108 HB3 GLU 108 -4.192 -4.095 6.414 828 HG2 GLU 108 HG2 GLU 108 -3.925 -1.447 5.007 829 HG3 GLU 108 HG3 GLU 108 -3.535 -1.711 6.704 830 H GLU 109 H GLU 109 -5.200 -6.221 5.463 831 HA GLU 109 HA GLU 109 -2.584 -7.188 4.982 832 HB2 GLU 109 HB2 GLU 109 -5.087 -8.671 5.785 833 HB3 GLU 109 HB3 GLU 109 -3.469 -9.363 5.790 834 HG2 GLU 109 HG2 GLU 109 -2.810 -7.530 7.377 835 HG3 GLU 109 HG3 GLU 109 -4.523 -7.125 7.490 836 H LEU 110 H LEU 110 -5.700 -8.004 3.449 837 HA LEU 110 HA LEU 110 -4.551 -9.868 1.638 838 HB2 LEU 110 HB2 LEU 110 -7.055 -9.413 2.390 839 HB3 LEU 110 HB3 LEU 110 -7.062 -8.400 0.961 840 HG LEU 110 HG LEU 110 -6.298 -11.320 0.882 841 HD11 LEU 110 HD11 LEU 110 -8.580 -11.093 1.739 842 HD12 LEU 110 HD12 LEU 110 -8.997 -10.084 0.354 843 HD13 LEU 110 HD13 LEU 110 -8.558 -11.774 0.112 844 HD21 LEU 110 HD21 LEU 110 -6.825 -11.108 -1.492 845 HD22 LEU 110 HD22 LEU 110 -7.199 -9.398 -1.265 846 HD23 LEU 110 HD23 LEU 110 -5.552 -9.983 -1.021 847 H LEU 111 H LEU 111 -4.977 -6.414 1.613 848 HA LEU 111 HA LEU 111 -4.516 -5.914 -1.115 849 HB2 LEU 111 HB2 LEU 111 -5.327 -4.194 0.406 850 HB3 LEU 111 HB3 LEU 111 -3.828 -4.253 1.310 851 HG LEU 111 HG LEU 111 -2.623 -3.416 -0.695 852 HD11 LEU 111 HD11 LEU 111 -3.903 -2.455 -2.538 853 HD12 LEU 111 HD12 LEU 111 -4.169 -4.193 -2.411 854 HD13 LEU 111 HD13 LEU 111 -5.395 -3.069 -1.827 855 HD21 LEU 111 HD21 LEU 111 -3.445 -1.112 -0.536 856 HD22 LEU 111 HD22 LEU 111 -4.898 -1.693 0.279 857 HD23 LEU 111 HD23 LEU 111 -3.323 -1.876 1.049 858 H ARG 112 H ARG 112 -2.402 -6.734 1.528 859 HA ARG 112 HA ARG 112 -0.033 -6.345 -0.136 860 HB2 ARG 112 HB2 ARG 112 -0.216 -7.172 2.755 861 HB3 ARG 112 HB3 ARG 112 1.256 -6.760 1.885 862 HG2 ARG 112 HG2 ARG 112 0.282 -4.472 1.536 863 HG3 ARG 112 HG3 ARG 112 -1.005 -4.938 2.653 864 HD2 ARG 112 HD2 ARG 112 0.734 -5.465 4.340 865 HD3 ARG 112 HD3 ARG 112 1.946 -4.826 3.231 866 HE ARG 112 HE ARG 112 -0.288 -3.114 4.103 867 HH11 ARG 112 HH11 ARG 112 3.141 -3.842 4.102 868 HH12 ARG 112 HH12 ARG 112 3.601 -2.278 4.717 869 HH21 ARG 112 HH21 ARG 112 0.305 -1.093 4.955 870 HH22 ARG 112 HH22 ARG 112 1.982 -0.721 5.229 871 H ALA 113 H ALA 113 -2.094 -8.445 -0.503 872 HA ALA 113 HA ALA 113 -0.268 -10.670 -0.814 873 HB1 ALA 113 HB1 ALA 113 -2.788 -10.973 0.814 874 HB2 ALA 113 HB2 ALA 113 -1.646 -12.253 0.401 875 HB3 ALA 113 HB3 ALA 113 -1.151 -10.938 1.469 876 H GLN 114 H GLN 114 -1.617 -8.912 -2.564 877 HA GLN 114 HA GLN 114 -3.846 -10.355 -3.712 878 HB2 GLN 114 HB2 GLN 114 -2.428 -7.792 -4.369 879 HB3 GLN 114 HB3 GLN 114 -3.608 -8.490 -5.473 880 HG2 GLN 114 HG2 GLN 114 -5.298 -8.395 -3.708 881 HG3 GLN 114 HG3 GLN 114 -4.110 -7.671 -2.630 882 HE21 GLN 114 HE21 GLN 114 -2.908 -6.078 -4.757 883 HE22 GLN 114 HE22 GLN 114 -4.018 -4.797 -5.084 884 H GLU 115 H GLU 115 -3.495 -9.948 -6.366 885 HA GLU 115 HA GLU 115 -2.695 -10.918 -8.244 886 HB2 GLU 115 HB2 GLU 115 -0.027 -10.918 -6.818 887 HB3 GLU 115 HB3 GLU 115 -0.288 -11.059 -8.553 888 HG2 GLU 115 HG2 GLU 115 -1.245 -8.812 -8.593 889 HG3 GLU 115 HG3 GLU 115 -0.982 -8.670 -6.857 890 H ALA 116 H ALA 116 -3.704 -12.796 -8.348 891 HA ALA 116 HA ALA 116 -4.357 -14.930 -7.948 892 HB1 ALA 116 HB1 ALA 116 -2.605 -16.627 -7.775 893 HB2 ALA 116 HB2 ALA 116 -2.237 -15.446 -9.034 894 HB3 ALA 116 HB3 ALA 116 -1.407 -15.365 -7.479 895 HA PRO 117 HA PRO 117 -4.057 -14.248 -3.365 896 HB2 PRO 117 HB2 PRO 117 -6.689 -13.242 -3.176 897 HB3 PRO 117 HB3 PRO 117 -5.191 -12.315 -3.108 898 HG2 PRO 117 HG2 PRO 117 -7.126 -12.191 -5.133 899 HG3 PRO 117 HG3 PRO 117 -5.487 -11.523 -5.205 900 HD2 PRO 117 HD2 PRO 117 -6.551 -14.064 -6.340 901 HD3 PRO 117 HD3 PRO 117 -5.274 -12.992 -6.955 902 H GLY 118 H GLY 118 -4.464 -15.925 -2.091 903 HA2 GLY 118 HA2 GLY 118 -6.172 -17.279 -0.980 904 HA3 GLY 118 HA3 GLY 118 -6.956 -17.446 -2.544 905 H GLN 119 H GLN 119 -6.788 -19.454 -3.245 906 HA GLN 119 HA GLN 119 -4.506 -21.082 -2.493 907 HB2 GLN 119 HB2 GLN 119 -6.921 -21.888 -2.475 908 HB3 GLN 119 HB3 GLN 119 -6.838 -21.893 -4.231 909 HG2 GLN 119 HG2 GLN 119 -6.448 -24.107 -3.442 910 HG3 GLN 119 HG3 GLN 119 -4.937 -23.471 -4.088 911 HE21 GLN 119 HE21 GLN 119 -6.229 -22.519 -0.991 912 HE22 GLN 119 HE22 GLN 119 -5.018 -23.293 -0.026 913 H ALA 120 H ALA 120 -2.937 -19.893 -3.711 914 HA ALA 120 HA ALA 120 -2.715 -20.914 -6.422 915 HB1 ALA 120 HB1 ALA 120 -2.186 -18.750 -7.390 916 HB2 ALA 120 HB2 ALA 120 -3.804 -18.723 -6.684 917 HB3 ALA 120 HB3 ALA 120 -2.456 -17.967 -5.834 918 H1 GLN 1 HT1 GLN 1 -19.991 22.426 -0.364 919 H2 GLN 1 HT2 GLN 1 -20.336 23.518 -1.607 920 H3 GLN 1 HT3 GLN 1 -19.864 24.090 -0.087 921 HA GLN 1 HA GLN 1 -18.176 22.482 -1.906 922 HB2 GLN 1 HB2 GLN 1 -18.416 25.428 -1.424 923 HB3 GLN 1 HB3 GLN 1 -16.833 24.750 -1.791 924 HG2 GLN 1 HG2 GLN 1 -18.023 25.638 -3.768 925 HG3 GLN 1 HG3 GLN 1 -17.596 23.934 -3.903 926 HE21 GLN 1 HE21 GLN 1 -20.184 26.225 -3.542 927 HE22 GLN 1 HE22 GLN 1 -21.478 25.115 -3.891 928 H ASP 2 H ASP 2 -16.411 21.635 -1.007 929 HA ASP 2 HA ASP 2 -16.000 22.154 1.862 930 HB2 ASP 2 HB2 ASP 2 -16.804 19.832 0.926 931 HB3 ASP 2 HB3 ASP 2 -15.113 19.631 0.492 932 H THR 3 H THR 3 -13.550 20.413 1.641 933 HA THR 3 HA THR 3 -11.739 22.593 0.992 934 HB THR 3 HB THR 3 -11.044 19.884 2.130 935 HG1 THR 3 HG1 THR 3 -12.676 21.011 3.390 936 HG21 THR 3 HG21 THR 3 -9.682 22.579 2.312 937 HG22 THR 3 HG22 THR 3 -9.141 21.102 3.111 938 HG23 THR 3 HG23 THR 3 -9.139 21.204 1.351 939 H ARG 4 H ARG 4 -10.198 22.544 -0.599 940 HA ARG 4 HA ARG 4 -10.439 20.429 -2.600 941 HB2 ARG 4 HB2 ARG 4 -10.396 22.826 -3.305 942 HB3 ARG 4 HB3 ARG 4 -8.762 22.953 -2.667 943 HG2 ARG 4 HG2 ARG 4 -8.283 20.953 -4.263 944 HG3 ARG 4 HG3 ARG 4 -9.753 21.496 -5.072 945 HD2 ARG 4 HD2 ARG 4 -7.335 23.201 -4.503 946 HD3 ARG 4 HD3 ARG 4 -7.714 22.462 -6.056 947 HE ARG 4 HE ARG 4 -9.923 23.974 -5.400 948 HH11 ARG 4 HH11 ARG 4 -6.498 24.632 -5.687 949 HH12 ARG 4 HH12 ARG 4 -6.722 26.201 -6.404 950 HH21 ARG 4 HH21 ARG 4 -10.230 26.069 -6.323 951 HH22 ARG 4 HH22 ARG 4 -8.838 27.005 -6.785 952 H LEU 5 H LEU 5 -8.953 18.850 -2.859 953 HA LEU 5 HA LEU 5 -6.496 19.035 -1.249 954 HB2 LEU 5 HB2 LEU 5 -8.202 16.713 -2.084 955 HB3 LEU 5 HB3 LEU 5 -6.506 16.468 -1.723 956 HG LEU 5 HG LEU 5 -7.747 15.904 0.228 957 HD11 LEU 5 HD11 LEU 5 -6.544 18.641 0.600 958 HD12 LEU 5 HD12 LEU 5 -6.863 17.467 1.877 959 HD13 LEU 5 HD13 LEU 5 -5.671 17.110 0.628 960 HD21 LEU 5 HD21 LEU 5 -9.831 17.040 -0.263 961 HD22 LEU 5 HD22 LEU 5 -9.263 17.485 1.346 962 HD23 LEU 5 HD23 LEU 5 -9.065 18.607 0.001
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