NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
458753 | 2kvs | 16794 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 20.093 -14.948 -0.073 2 H2 MET 1 H2 MET 1 18.419 -14.803 0.094 3 H3 MET 1 H3 MET 1 19.440 -13.668 0.817 4 HA MET 1 HA MET 1 20.191 -12.917 -1.348 5 HB2 MET 1 HB2 MET 1 18.133 -14.901 -2.356 6 HB3 MET 1 HB3 MET 1 18.938 -13.704 -3.359 7 HG2 MET 1 HG2 MET 1 20.317 -15.922 -1.861 8 HG3 MET 1 HG3 MET 1 19.913 -15.944 -3.576 9 HE1 MET 1 HE1 MET 1 20.541 -12.936 -4.471 10 HE2 MET 1 HE2 MET 1 21.010 -14.373 -5.383 11 HE3 MET 1 HE3 MET 1 22.205 -13.129 -5.021 12 H ALA 2 H ALA 2 19.183 -11.087 -2.227 13 HA ALA 2 HA ALA 2 16.808 -10.184 -0.854 14 HB1 ALA 2 HB1 ALA 2 17.188 -8.069 -1.999 15 HB2 ALA 2 HB2 ALA 2 18.426 -8.818 -3.007 16 HB3 ALA 2 HB3 ALA 2 18.679 -8.662 -1.267 17 H GLY 3 H GLY 3 14.771 -10.295 -1.558 18 HA2 GLY 3 HA2 GLY 3 14.256 -10.747 -4.445 19 HA3 GLY 3 HA3 GLY 3 13.314 -11.511 -3.172 20 H ASP 4 H ASP 4 14.076 -8.433 -4.710 21 HA ASP 4 HA ASP 4 11.729 -7.208 -3.412 22 HB2 ASP 4 HB2 ASP 4 12.888 -5.025 -4.094 23 HB3 ASP 4 HB3 ASP 4 13.641 -5.972 -2.814 24 HA PRO 5 HA PRO 5 10.183 -7.153 -7.726 25 HB2 PRO 5 HB2 PRO 5 7.602 -7.602 -7.154 26 HB3 PRO 5 HB3 PRO 5 8.782 -8.919 -7.156 27 HG2 PRO 5 HG2 PRO 5 7.641 -7.407 -4.831 28 HG3 PRO 5 HG3 PRO 5 7.926 -9.149 -5.001 29 HD2 PRO 5 HD2 PRO 5 9.625 -7.422 -3.679 30 HD3 PRO 5 HD3 PRO 5 10.133 -8.964 -4.396 31 H MET 6 H MET 6 9.362 -5.409 -4.827 32 HA MET 6 HA MET 6 8.513 -3.348 -4.383 33 HB2 MET 6 HB2 MET 6 9.767 -2.773 -7.077 34 HB3 MET 6 HB3 MET 6 9.249 -1.540 -5.931 35 HG2 MET 6 HG2 MET 6 10.840 -2.510 -4.273 36 HG3 MET 6 HG3 MET 6 11.424 -3.589 -5.538 37 HE1 MET 6 HE1 MET 6 13.287 -1.603 -3.829 38 HE2 MET 6 HE2 MET 6 14.352 -1.013 -5.105 39 HE3 MET 6 HE3 MET 6 13.891 -2.716 -5.057 40 H THR 7 H THR 7 6.628 -5.138 -5.619 41 HA THR 7 HA THR 7 5.057 -4.167 -7.666 42 HB THR 7 HB THR 7 3.147 -5.346 -6.593 43 HG1 THR 7 HG1 THR 7 3.447 -6.280 -4.553 44 HG21 THR 7 HG21 THR 7 4.167 -7.584 -6.565 45 HG22 THR 7 HG22 THR 7 5.771 -6.855 -6.485 46 HG23 THR 7 HG23 THR 7 4.766 -6.625 -7.916 47 H PHE 8 H PHE 8 4.390 -3.593 -4.200 48 HA PHE 8 HA PHE 8 2.346 -1.751 -4.422 49 HB2 PHE 8 HB2 PHE 8 3.038 -2.772 -2.301 50 HB3 PHE 8 HB3 PHE 8 4.539 -1.857 -2.329 51 HD1 PHE 8 HD1 PHE 8 0.880 -1.618 -1.910 52 HD2 PHE 8 HD2 PHE 8 4.609 0.428 -1.606 53 HE1 PHE 8 HE1 PHE 8 -0.219 0.196 -0.670 54 HE2 PHE 8 HE2 PHE 8 3.507 2.246 -0.364 55 HZ PHE 8 HZ PHE 8 1.092 2.130 0.106 56 H TYR 9 H TYR 9 5.842 -1.110 -4.459 57 HA TYR 9 HA TYR 9 5.631 1.719 -4.491 58 HB2 TYR 9 HB2 TYR 9 7.675 0.373 -3.840 59 HB3 TYR 9 HB3 TYR 9 7.948 0.084 -5.554 60 HD1 TYR 9 HD1 TYR 9 7.541 2.844 -3.076 61 HD2 TYR 9 HD2 TYR 9 9.220 1.626 -6.798 62 HE1 TYR 9 HE1 TYR 9 8.778 4.963 -3.206 63 HE2 TYR 9 HE2 TYR 9 10.460 3.746 -6.932 64 HH TYR 9 HH TYR 9 10.229 6.064 -6.026 65 H ASN 10 H ASN 10 5.834 -0.708 -7.053 66 HA ASN 10 HA ASN 10 6.105 1.008 -9.263 67 HB2 ASN 10 HB2 ASN 10 6.425 -1.420 -9.408 68 HB3 ASN 10 HB3 ASN 10 4.718 -1.684 -9.072 69 HD21 ASN 10 HD21 ASN 10 4.361 -2.759 -10.992 70 HD22 ASN 10 HD22 ASN 10 4.356 -1.965 -12.523 71 H PHE 11 H PHE 11 3.265 -0.018 -7.436 72 HA PHE 11 HA PHE 11 1.310 1.053 -9.200 73 HB2 PHE 11 HB2 PHE 11 0.725 -0.647 -7.561 74 HB3 PHE 11 HB3 PHE 11 1.161 0.430 -6.240 75 HD1 PHE 11 HD1 PHE 11 -1.247 -0.059 -9.018 76 HD2 PHE 11 HD2 PHE 11 -0.411 1.972 -5.365 77 HE1 PHE 11 HE1 PHE 11 -3.564 0.774 -8.954 78 HE2 PHE 11 HE2 PHE 11 -2.724 2.807 -5.299 79 HZ PHE 11 HZ PHE 11 -4.303 2.211 -7.093 80 H ILE 12 H ILE 12 2.939 2.373 -6.329 81 HA ILE 12 HA ILE 12 1.361 4.787 -6.365 82 HB ILE 12 HB ILE 12 2.230 3.775 -4.260 83 HG12 ILE 12 HG12 ILE 12 2.869 5.932 -3.199 84 HG13 ILE 12 HG13 ILE 12 3.084 6.639 -4.797 85 HG21 ILE 12 HG21 ILE 12 4.898 4.835 -5.196 86 HG22 ILE 12 HG22 ILE 12 4.451 3.137 -5.036 87 HG23 ILE 12 HG23 ILE 12 4.555 4.158 -3.602 88 HD11 ILE 12 HD11 ILE 12 0.715 6.328 -5.261 89 HD12 ILE 12 HD12 ILE 12 0.959 7.279 -3.796 90 HD13 ILE 12 HD13 ILE 12 0.496 5.582 -3.678 91 H MET 13 H MET 13 4.375 3.792 -7.810 92 HA MET 13 HA MET 13 5.481 6.348 -8.278 93 HB2 MET 13 HB2 MET 13 6.810 4.345 -8.656 94 HB3 MET 13 HB3 MET 13 5.720 3.824 -9.936 95 HG2 MET 13 HG2 MET 13 6.430 5.537 -11.388 96 HG3 MET 13 HG3 MET 13 7.223 6.424 -10.087 97 HE1 MET 13 HE1 MET 13 8.860 4.339 -8.520 98 HE2 MET 13 HE2 MET 13 9.579 5.842 -9.100 99 HE3 MET 13 HE3 MET 13 10.395 4.305 -9.385 100 H GLY 14 H GLY 14 5.362 7.723 -10.109 101 HA2 GLY 14 HA2 GLY 14 4.181 8.528 -12.048 102 HA3 GLY 14 HA3 GLY 14 2.824 7.496 -11.611 103 H PHE 15 H PHE 15 2.539 8.056 -8.933 104 HA PHE 15 HA PHE 15 1.402 10.692 -8.872 105 HB2 PHE 15 HB2 PHE 15 1.865 8.690 -6.639 106 HB3 PHE 15 HB3 PHE 15 0.902 10.158 -6.495 107 HD1 PHE 15 HD1 PHE 15 -1.276 10.333 -7.588 108 HD2 PHE 15 HD2 PHE 15 1.028 6.754 -7.822 109 HE1 PHE 15 HE1 PHE 15 -3.262 9.104 -8.361 110 HE2 PHE 15 HE2 PHE 15 -0.953 5.525 -8.594 111 HZ PHE 15 HZ PHE 15 -3.105 6.696 -8.866 112 H GLN 16 H GLN 16 4.351 9.180 -7.653 113 HA GLN 16 HA GLN 16 5.284 11.552 -6.328 114 HB2 GLN 16 HB2 GLN 16 7.457 10.348 -6.154 115 HB3 GLN 16 HB3 GLN 16 6.098 9.451 -5.497 116 HG2 GLN 16 HG2 GLN 16 6.038 8.034 -7.461 117 HG3 GLN 16 HG3 GLN 16 7.315 8.985 -8.216 118 HE21 GLN 16 HE21 GLN 16 8.845 9.283 -5.759 119 HE22 GLN 16 HE22 GLN 16 9.569 7.746 -5.451 120 H ASN 17 H ASN 17 5.083 13.136 -7.903 121 HA ASN 17 HA ASN 17 7.452 13.731 -9.331 122 HB2 ASN 17 HB2 ASN 17 6.251 12.032 -10.879 123 HB3 ASN 17 HB3 ASN 17 5.087 13.319 -11.175 124 HD21 ASN 17 HD21 ASN 17 5.808 15.221 -12.245 125 HD22 ASN 17 HD22 ASN 17 7.251 15.207 -13.193 126 H ASP 18 H ASP 18 3.942 14.288 -9.415 127 HA ASP 18 HA ASP 18 4.378 17.184 -9.197 128 HB2 ASP 18 HB2 ASP 18 2.801 16.473 -10.934 129 HB3 ASP 18 HB3 ASP 18 1.851 15.590 -9.742 130 H ASN 19 H ASN 19 3.065 18.379 -7.585 131 HA ASN 19 HA ASN 19 3.416 17.261 -4.990 132 HB2 ASN 19 HB2 ASN 19 1.889 19.752 -5.783 133 HB3 ASN 19 HB3 ASN 19 2.448 19.353 -4.161 134 HD21 ASN 19 HD21 ASN 19 3.067 21.643 -5.862 135 HD22 ASN 19 HD22 ASN 19 4.788 21.663 -6.023 136 H THR 20 H THR 20 2.146 15.360 -4.946 137 HA THR 20 HA THR 20 -0.757 15.824 -4.602 138 HB THR 20 HB THR 20 -1.249 13.628 -5.520 139 HG1 THR 20 HG1 THR 20 1.342 13.180 -6.460 140 HG21 THR 20 HG21 THR 20 0.598 15.166 -7.360 141 HG22 THR 20 HG22 THR 20 -1.127 15.459 -7.139 142 HG23 THR 20 HG23 THR 20 -0.575 13.950 -7.865 143 HA PRO 21 HA PRO 21 -0.394 14.057 -0.496 144 HB2 PRO 21 HB2 PRO 21 -2.954 12.688 -1.241 145 HB3 PRO 21 HB3 PRO 21 -2.565 13.635 0.203 146 HG2 PRO 21 HG2 PRO 21 -4.062 14.685 -1.729 147 HG3 PRO 21 HG3 PRO 21 -2.839 15.670 -0.905 148 HD2 PRO 21 HD2 PRO 21 -2.759 14.436 -3.627 149 HD3 PRO 21 HD3 PRO 21 -2.108 15.993 -3.073 150 H PHE 22 H PHE 22 -1.378 11.965 -3.188 151 HA PHE 22 HA PHE 22 -0.564 9.498 -2.037 152 HB2 PHE 22 HB2 PHE 22 -0.774 10.200 -4.981 153 HB3 PHE 22 HB3 PHE 22 -0.800 8.585 -4.284 154 HD1 PHE 22 HD1 PHE 22 -2.719 11.653 -4.850 155 HD2 PHE 22 HD2 PHE 22 -2.791 7.738 -3.174 156 HE1 PHE 22 HE1 PHE 22 -5.170 11.771 -4.689 157 HE2 PHE 22 HE2 PHE 22 -5.244 7.849 -3.013 158 HZ PHE 22 HZ PHE 22 -6.436 9.870 -3.771 159 H GLY 23 H GLY 23 1.035 11.828 -4.188 160 HA2 GLY 23 HA2 GLY 23 3.423 10.402 -4.631 161 HA3 GLY 23 HA3 GLY 23 3.234 12.142 -4.755 162 H ILE 24 H ILE 24 2.502 12.616 -2.020 163 HA ILE 24 HA ILE 24 4.980 12.910 -0.763 164 HB ILE 24 HB ILE 24 2.252 12.758 0.546 165 HG12 ILE 24 HG12 ILE 24 3.848 15.152 -0.422 166 HG13 ILE 24 HG13 ILE 24 2.408 14.499 -1.194 167 HG21 ILE 24 HG21 ILE 24 3.264 14.016 2.397 168 HG22 ILE 24 HG22 ILE 24 4.837 13.919 1.605 169 HG23 ILE 24 HG23 ILE 24 4.047 12.450 2.181 170 HD11 ILE 24 HD11 ILE 24 1.892 16.483 0.096 171 HD12 ILE 24 HD12 ILE 24 2.537 15.723 1.551 172 HD13 ILE 24 HD13 ILE 24 1.090 15.068 0.781 173 H LEU 25 H LEU 25 2.599 10.298 -0.495 174 HA LEU 25 HA LEU 25 3.805 8.825 1.576 175 HB2 LEU 25 HB2 LEU 25 1.513 8.466 0.603 176 HB3 LEU 25 HB3 LEU 25 2.264 7.720 -0.789 177 HG LEU 25 HG LEU 25 1.281 6.152 0.943 178 HD11 LEU 25 HD11 LEU 25 4.211 5.777 0.333 179 HD12 LEU 25 HD12 LEU 25 2.872 5.380 -0.745 180 HD13 LEU 25 HD13 LEU 25 3.058 4.514 0.779 181 HD21 LEU 25 HD21 LEU 25 3.705 6.986 2.542 182 HD22 LEU 25 HD22 LEU 25 2.586 5.680 2.942 183 HD23 LEU 25 HD23 LEU 25 2.027 7.351 2.942 184 H ALA 26 H ALA 26 4.066 8.274 -1.955 185 HA ALA 26 HA ALA 26 6.084 6.355 -1.906 186 HB1 ALA 26 HB1 ALA 26 6.494 6.919 -4.233 187 HB2 ALA 26 HB2 ALA 26 5.627 8.445 -4.037 188 HB3 ALA 26 HB3 ALA 26 4.764 6.915 -3.901 189 H GLU 27 H GLU 27 6.364 9.883 -2.023 190 HA GLU 27 HA GLU 27 9.154 10.058 -2.327 191 HB2 GLU 27 HB2 GLU 27 7.496 11.899 -2.672 192 HB3 GLU 27 HB3 GLU 27 7.313 12.019 -0.931 193 HG2 GLU 27 HG2 GLU 27 9.982 12.382 -2.265 194 HG3 GLU 27 HG3 GLU 27 8.828 13.704 -2.121 195 H HIS 28 H HIS 28 7.158 10.079 0.637 196 HA HIS 28 HA HIS 28 9.378 10.434 2.382 197 HB2 HIS 28 HB2 HIS 28 6.881 10.935 2.841 198 HB3 HIS 28 HB3 HIS 28 6.759 9.231 3.263 199 HD1 HIS 28 HD1 HIS 28 6.970 12.237 4.925 200 HD2 HIS 28 HD2 HIS 28 9.206 8.749 5.226 201 HE1 HIS 28 HE1 HIS 28 8.025 12.313 7.191 202 HE2 HIS 28 HE2 HIS 28 9.548 10.314 7.258 203 H VAL 29 H VAL 29 7.665 7.523 1.231 204 HA VAL 29 HA VAL 29 9.151 5.764 2.967 205 HB VAL 29 HB VAL 29 8.205 3.909 1.722 206 HG11 VAL 29 HG11 VAL 29 5.821 4.351 2.083 207 HG12 VAL 29 HG12 VAL 29 6.156 6.078 2.200 208 HG13 VAL 29 HG13 VAL 29 6.805 4.972 3.410 209 HG21 VAL 29 HG21 VAL 29 8.392 4.789 -0.547 210 HG22 VAL 29 HG22 VAL 29 7.128 5.972 -0.210 211 HG23 VAL 29 HG23 VAL 29 6.744 4.250 -0.226 212 H SER 30 H SER 30 9.596 7.056 -0.254 213 HA SER 30 HA SER 30 11.748 5.353 -1.039 214 HB2 SER 30 HB2 SER 30 10.405 6.746 -2.634 215 HB3 SER 30 HB3 SER 30 11.176 8.185 -1.971 216 HG SER 30 HG SER 30 12.111 6.386 -3.796 217 H GLU 31 H GLU 31 11.499 7.977 1.152 218 HA GLU 31 HA GLU 31 14.165 8.879 1.268 219 HB2 GLU 31 HB2 GLU 31 12.431 10.115 2.385 220 HB3 GLU 31 HB3 GLU 31 11.983 8.720 3.356 221 HG2 GLU 31 HG2 GLU 31 14.164 8.849 4.499 222 HG3 GLU 31 HG3 GLU 31 14.541 10.303 3.574 223 H ASP 32 H ASP 32 12.566 6.086 2.718 224 HA ASP 32 HA ASP 32 14.745 5.376 4.441 225 HB2 ASP 32 HB2 ASP 32 12.376 4.751 4.896 226 HB3 ASP 32 HB3 ASP 32 12.417 3.670 3.506 227 H LYS 33 H LYS 33 15.786 3.130 4.252 228 HA LYS 33 HA LYS 33 17.261 3.051 1.821 229 HB2 LYS 33 HB2 LYS 33 17.146 0.954 3.996 230 HB3 LYS 33 HB3 LYS 33 18.392 1.108 2.768 231 HG2 LYS 33 HG2 LYS 33 17.819 3.047 5.005 232 HG3 LYS 33 HG3 LYS 33 19.186 1.942 4.890 233 HD2 LYS 33 HD2 LYS 33 20.271 3.740 4.049 234 HD3 LYS 33 HD3 LYS 33 19.447 3.320 2.548 235 HE2 LYS 33 HE2 LYS 33 19.173 5.679 2.980 236 HE3 LYS 33 HE3 LYS 33 17.615 4.875 3.170 237 HZ1 LYS 33 HZ1 LYS 33 17.955 6.429 4.950 238 HZ2 LYS 33 HZ2 LYS 33 19.436 5.721 5.355 239 HZ3 LYS 33 HZ3 LYS 33 18.001 4.862 5.582 240 H ALA 34 H ALA 34 14.344 1.495 2.835 241 HA ALA 34 HA ALA 34 12.895 0.066 1.816 242 HB1 ALA 34 HB1 ALA 34 14.487 0.666 -0.681 243 HB2 ALA 34 HB2 ALA 34 13.130 1.616 -0.076 244 HB3 ALA 34 HB3 ALA 34 12.872 -0.042 -0.620 245 H PHE 35 H PHE 35 15.659 -0.854 2.779 246 HA PHE 35 HA PHE 35 16.290 -3.175 1.208 247 HB2 PHE 35 HB2 PHE 35 17.950 -1.894 2.605 248 HB3 PHE 35 HB3 PHE 35 17.165 -2.539 4.042 249 HD1 PHE 35 HD1 PHE 35 19.281 -3.323 1.152 250 HD2 PHE 35 HD2 PHE 35 17.462 -4.860 4.688 251 HE1 PHE 35 HE1 PHE 35 20.727 -5.310 1.030 252 HE2 PHE 35 HE2 PHE 35 18.907 -6.849 4.568 253 HZ PHE 35 HZ PHE 35 20.541 -7.076 2.736 254 HA PRO 36 HA PRO 36 12.960 -5.780 2.664 255 HB2 PRO 36 HB2 PRO 36 14.954 -7.941 2.102 256 HB3 PRO 36 HB3 PRO 36 13.273 -7.792 1.572 257 HG2 PRO 36 HG2 PRO 36 15.259 -7.287 -0.120 258 HG3 PRO 36 HG3 PRO 36 13.809 -6.265 -0.110 259 HD2 PRO 36 HD2 PRO 36 16.529 -5.707 1.008 260 HD3 PRO 36 HD3 PRO 36 15.396 -4.606 0.196 261 H ARG 37 H ARG 37 12.351 -6.630 4.580 262 HA ARG 37 HA ARG 37 14.442 -7.394 6.538 263 HB2 ARG 37 HB2 ARG 37 11.818 -6.042 7.223 264 HB3 ARG 37 HB3 ARG 37 13.151 -6.392 8.313 265 HG2 ARG 37 HG2 ARG 37 14.549 -4.763 7.142 266 HG3 ARG 37 HG3 ARG 37 13.225 -4.423 6.026 267 HD2 ARG 37 HD2 ARG 37 11.843 -3.743 8.009 268 HD3 ARG 37 HD3 ARG 37 13.294 -3.902 9.001 269 HE ARG 37 HE ARG 37 13.659 -2.174 6.740 270 HH11 ARG 37 HH11 ARG 37 12.551 -2.330 9.998 271 HH12 ARG 37 HH12 ARG 37 12.729 -0.632 10.253 272 HH21 ARG 37 HH21 ARG 37 13.849 0.005 7.076 273 HH22 ARG 37 HH22 ARG 37 13.452 0.673 8.622 274 H LEU 38 H LEU 38 10.892 -7.495 6.335 275 HA LEU 38 HA LEU 38 10.657 -10.314 6.185 276 HB2 LEU 38 HB2 LEU 38 11.478 -9.840 8.614 277 HB3 LEU 38 HB3 LEU 38 9.860 -9.237 8.892 278 HG LEU 38 HG LEU 38 10.288 -11.612 9.635 279 HD11 LEU 38 HD11 LEU 38 8.159 -12.491 8.870 280 HD12 LEU 38 HD12 LEU 38 8.096 -11.275 7.593 281 HD13 LEU 38 HD13 LEU 38 8.014 -10.783 9.285 282 HD21 LEU 38 HD21 LEU 38 10.292 -13.367 7.938 283 HD22 LEU 38 HD22 LEU 38 11.693 -12.310 7.768 284 HD23 LEU 38 HD23 LEU 38 10.327 -12.148 6.664 285 H GLU 39 H GLU 39 9.436 -9.109 4.514 286 HA GLU 39 HA GLU 39 7.094 -7.617 5.255 287 HB2 GLU 39 HB2 GLU 39 8.025 -8.646 2.562 288 HB3 GLU 39 HB3 GLU 39 6.683 -7.539 2.803 289 HG2 GLU 39 HG2 GLU 39 8.696 -6.370 2.074 290 HG3 GLU 39 HG3 GLU 39 8.194 -5.847 3.680 291 H GLU 40 H GLU 40 7.326 -10.449 3.105 292 HA GLU 40 HA GLU 40 6.077 -12.315 2.828 293 HB2 GLU 40 HB2 GLU 40 5.120 -11.838 5.658 294 HB3 GLU 40 HB3 GLU 40 5.030 -13.349 4.764 295 HG2 GLU 40 HG2 GLU 40 7.541 -11.949 5.678 296 HG3 GLU 40 HG3 GLU 40 6.849 -13.421 6.357 297 H ARG 41 H ARG 41 3.892 -10.379 4.896 298 HA ARG 41 HA ARG 41 1.801 -10.675 2.834 299 HB2 ARG 41 HB2 ARG 41 1.431 -10.065 5.778 300 HB3 ARG 41 HB3 ARG 41 0.170 -10.440 4.611 301 HG2 ARG 41 HG2 ARG 41 2.337 -12.333 5.522 302 HG3 ARG 41 HG3 ARG 41 0.664 -12.338 6.077 303 HD2 ARG 41 HD2 ARG 41 1.484 -12.724 3.195 304 HD3 ARG 41 HD3 ARG 41 1.202 -14.049 4.323 305 HE ARG 41 HE ARG 41 -1.083 -12.561 4.430 306 HH11 ARG 41 HH11 ARG 41 0.688 -14.059 1.875 307 HH12 ARG 41 HH12 ARG 41 -0.740 -14.434 0.968 308 HH21 ARG 41 HH21 ARG 41 -2.896 -13.052 3.256 309 HH22 ARG 41 HH22 ARG 41 -2.740 -13.872 1.738 310 H HIS 42 H HIS 42 0.041 -8.766 3.295 311 HA HIS 42 HA HIS 42 1.563 -6.272 2.907 312 HB2 HIS 42 HB2 HIS 42 -1.261 -6.988 2.085 313 HB3 HIS 42 HB3 HIS 42 -0.500 -5.425 1.802 314 HD1 HIS 42 HD1 HIS 42 -1.318 -8.258 -0.030 315 HD2 HIS 42 HD2 HIS 42 2.199 -6.073 0.352 316 HE1 HIS 42 HE1 HIS 42 0.036 -8.796 -2.074 317 HE2 HIS 42 HE2 HIS 42 2.209 -7.570 -1.760 318 H GLN 43 H GLN 43 -0.851 -7.747 4.945 319 HA GLN 43 HA GLN 43 -1.979 -5.458 6.116 320 HB2 GLN 43 HB2 GLN 43 -2.898 -7.743 6.336 321 HB3 GLN 43 HB3 GLN 43 -1.549 -8.177 7.376 322 HG2 GLN 43 HG2 GLN 43 -2.276 -6.546 9.032 323 HG3 GLN 43 HG3 GLN 43 -3.608 -6.061 7.983 324 HE21 GLN 43 HE21 GLN 43 -3.631 -7.195 10.693 325 HE22 GLN 43 HE22 GLN 43 -4.613 -8.612 10.589 326 H VAL 44 H VAL 44 0.918 -7.316 7.029 327 HA VAL 44 HA VAL 44 1.576 -5.978 9.393 328 HB VAL 44 HB VAL 44 3.921 -6.668 8.968 329 HG11 VAL 44 HG11 VAL 44 3.508 -9.090 8.917 330 HG12 VAL 44 HG12 VAL 44 1.865 -8.797 8.347 331 HG13 VAL 44 HG13 VAL 44 2.351 -8.257 9.955 332 HG21 VAL 44 HG21 VAL 44 2.874 -7.611 6.286 333 HG22 VAL 44 HG22 VAL 44 4.482 -7.935 6.936 334 HG23 VAL 44 HG23 VAL 44 4.006 -6.284 6.549 335 H ILE 45 H ILE 45 2.364 -5.147 6.031 336 HA ILE 45 HA ILE 45 3.925 -2.859 6.517 337 HB ILE 45 HB ILE 45 2.089 -3.394 4.165 338 HG12 ILE 45 HG12 ILE 45 5.042 -3.999 4.506 339 HG13 ILE 45 HG13 ILE 45 3.753 -5.196 4.562 340 HG21 ILE 45 HG21 ILE 45 3.524 -1.839 2.933 341 HG22 ILE 45 HG22 ILE 45 4.464 -1.539 4.394 342 HG23 ILE 45 HG23 ILE 45 2.772 -1.044 4.318 343 HD11 ILE 45 HD11 ILE 45 3.206 -4.709 2.232 344 HD12 ILE 45 HD12 ILE 45 4.888 -5.209 2.419 345 HD13 ILE 45 HD13 ILE 45 4.497 -3.506 2.182 346 H ARG 46 H ARG 46 0.434 -3.269 6.067 347 HA ARG 46 HA ARG 46 -0.422 -0.629 6.211 348 HB2 ARG 46 HB2 ARG 46 -1.863 -2.612 5.711 349 HB3 ARG 46 HB3 ARG 46 -1.802 -3.044 7.414 350 HG2 ARG 46 HG2 ARG 46 -2.802 -0.742 7.870 351 HG3 ARG 46 HG3 ARG 46 -3.131 -0.670 6.138 352 HD2 ARG 46 HD2 ARG 46 -4.154 -2.733 8.096 353 HD3 ARG 46 HD3 ARG 46 -5.094 -1.463 7.317 354 HE ARG 46 HE ARG 46 -3.851 -3.215 5.429 355 HH11 ARG 46 HH11 ARG 46 -6.553 -2.873 7.539 356 HH12 ARG 46 HH12 ARG 46 -7.542 -3.962 6.628 357 HH21 ARG 46 HH21 ARG 46 -5.142 -4.637 4.273 358 HH22 ARG 46 HH22 ARG 46 -6.761 -4.928 4.801 359 H ALA 47 H ALA 47 0.030 -2.950 8.880 360 HA ALA 47 HA ALA 47 -0.680 -1.287 11.006 361 HB1 ALA 47 HB1 ALA 47 1.359 -3.515 11.024 362 HB2 ALA 47 HB2 ALA 47 -0.384 -3.712 11.205 363 HB3 ALA 47 HB3 ALA 47 0.536 -2.843 12.433 364 H TYR 48 H TYR 48 2.564 -1.841 9.615 365 HA TYR 48 HA TYR 48 3.990 -0.210 11.398 366 HB2 TYR 48 HB2 TYR 48 4.593 -1.001 8.543 367 HB3 TYR 48 HB3 TYR 48 5.721 -0.102 9.553 368 HD1 TYR 48 HD1 TYR 48 5.518 -1.403 12.146 369 HD2 TYR 48 HD2 TYR 48 5.486 -3.143 8.258 370 HE1 TYR 48 HE1 TYR 48 6.394 -3.499 13.084 371 HE2 TYR 48 HE2 TYR 48 6.362 -5.243 9.188 372 HH TYR 48 HH TYR 48 7.691 -5.960 11.179 373 H VAL 49 H VAL 49 2.824 0.634 8.103 374 HA VAL 49 HA VAL 49 3.765 3.288 8.192 375 HB VAL 49 HB VAL 49 2.316 3.762 6.285 376 HG11 VAL 49 HG11 VAL 49 4.415 2.577 5.890 377 HG12 VAL 49 HG12 VAL 49 3.178 2.070 4.739 378 HG13 VAL 49 HG13 VAL 49 3.594 1.029 6.101 379 HG21 VAL 49 HG21 VAL 49 0.795 2.047 5.391 380 HG22 VAL 49 HG22 VAL 49 0.293 2.601 6.987 381 HG23 VAL 49 HG23 VAL 49 1.101 1.043 6.807 382 H MET 50 H MET 50 0.618 1.935 9.150 383 HA MET 50 HA MET 50 -0.620 4.471 9.597 384 HB2 MET 50 HB2 MET 50 -1.348 1.712 10.601 385 HB3 MET 50 HB3 MET 50 -2.355 3.138 10.806 386 HG2 MET 50 HG2 MET 50 -2.515 3.366 8.370 387 HG3 MET 50 HG3 MET 50 -1.535 1.912 8.182 388 HE1 MET 50 HE1 MET 50 -4.986 3.365 9.447 389 HE2 MET 50 HE2 MET 50 -4.300 2.625 10.893 390 HE3 MET 50 HE3 MET 50 -5.727 1.921 10.132 391 H SER 51 H SER 51 1.488 2.496 11.506 392 HA SER 51 HA SER 51 0.832 3.745 14.029 393 HB2 SER 51 HB2 SER 51 1.715 1.417 13.881 394 HB3 SER 51 HB3 SER 51 3.254 2.067 13.319 395 HG SER 51 HG SER 51 3.023 3.382 15.416 396 H ASN 52 H ASN 52 3.250 4.197 11.510 397 HA ASN 52 HA ASN 52 4.699 6.206 13.050 398 HB2 ASN 52 HB2 ASN 52 5.069 5.115 10.253 399 HB3 ASN 52 HB3 ASN 52 6.058 6.413 10.917 400 HD21 ASN 52 HD21 ASN 52 5.312 3.021 11.083 401 HD22 ASN 52 HD22 ASN 52 6.673 2.576 12.049 402 H TYR 53 H TYR 53 2.869 6.170 9.972 403 HA TYR 53 HA TYR 53 2.882 9.070 9.850 404 HB2 TYR 53 HB2 TYR 53 1.522 7.050 8.045 405 HB3 TYR 53 HB3 TYR 53 1.677 8.774 7.723 406 HD1 TYR 53 HD1 TYR 53 4.083 9.716 7.546 407 HD2 TYR 53 HD2 TYR 53 3.162 5.563 7.273 408 HE1 TYR 53 HE1 TYR 53 6.221 9.315 6.406 409 HE2 TYR 53 HE2 TYR 53 5.299 5.160 6.130 410 HH TYR 53 HH TYR 53 6.948 6.347 4.849 411 H THR 54 H THR 54 1.421 10.260 10.927 412 HA THR 54 HA THR 54 -1.166 9.119 11.676 413 HB THR 54 HB THR 54 0.047 10.499 13.339 414 HG1 THR 54 HG1 THR 54 -2.539 10.817 12.539 415 HG21 THR 54 HG21 THR 54 -0.482 12.780 11.422 416 HG22 THR 54 HG22 THR 54 1.099 12.102 11.807 417 HG23 THR 54 HG23 THR 54 0.168 12.933 13.055 418 H ASP 55 H ASP 55 0.138 10.820 9.090 419 HA ASP 55 HA ASP 55 -1.949 12.593 8.404 420 HB2 ASP 55 HB2 ASP 55 -0.067 11.227 6.475 421 HB3 ASP 55 HB3 ASP 55 -0.849 12.797 6.290 422 H HIS 56 H HIS 56 -3.923 12.183 7.664 423 HA HIS 56 HA HIS 56 -4.970 9.599 7.457 424 HB2 HIS 56 HB2 HIS 56 -6.149 12.134 6.296 425 HB3 HIS 56 HB3 HIS 56 -7.027 10.660 6.700 426 HD1 HIS 56 HD1 HIS 56 -6.812 13.836 7.960 427 HD2 HIS 56 HD2 HIS 56 -6.176 10.130 9.723 428 HE1 HIS 56 HE1 HIS 56 -7.077 14.212 10.425 429 HE2 HIS 56 HE2 HIS 56 -6.530 11.998 11.474 430 H GLN 57 H GLN 57 -4.010 11.846 4.872 431 HA GLN 57 HA GLN 57 -4.851 10.256 2.704 432 HB2 GLN 57 HB2 GLN 57 -2.717 12.379 2.924 433 HB3 GLN 57 HB3 GLN 57 -3.143 11.614 1.397 434 HG2 GLN 57 HG2 GLN 57 -5.049 13.155 3.162 435 HG3 GLN 57 HG3 GLN 57 -4.251 13.787 1.721 436 HE21 GLN 57 HE21 GLN 57 -7.104 13.462 2.291 437 HE22 GLN 57 HE22 GLN 57 -7.724 12.463 1.029 438 H LEU 58 H LEU 58 -1.735 10.327 4.433 439 HA LEU 58 HA LEU 58 -0.389 8.548 2.676 440 HB2 LEU 58 HB2 LEU 58 0.163 9.058 5.607 441 HB3 LEU 58 HB3 LEU 58 1.265 8.305 4.468 442 HG LEU 58 HG LEU 58 0.350 11.187 4.487 443 HD11 LEU 58 HD11 LEU 58 3.069 9.928 4.848 444 HD12 LEU 58 HD12 LEU 58 2.085 10.677 6.107 445 HD13 LEU 58 HD13 LEU 58 2.734 11.660 4.795 446 HD21 LEU 58 HD21 LEU 58 0.462 10.413 2.178 447 HD22 LEU 58 HD22 LEU 58 2.087 9.784 2.453 448 HD23 LEU 58 HD23 LEU 58 1.788 11.519 2.532 449 H ILE 59 H ILE 59 -2.196 8.028 5.681 450 HA ILE 59 HA ILE 59 -1.867 5.224 5.826 451 HB ILE 59 HB ILE 59 -4.033 7.045 6.892 452 HG12 ILE 59 HG12 ILE 59 -1.709 5.638 8.244 453 HG13 ILE 59 HG13 ILE 59 -1.786 7.353 7.855 454 HG21 ILE 59 HG21 ILE 59 -3.659 4.091 7.414 455 HG22 ILE 59 HG22 ILE 59 -5.033 4.863 6.624 456 HG23 ILE 59 HG23 ILE 59 -4.727 5.152 8.334 457 HD11 ILE 59 HD11 ILE 59 -2.229 6.961 10.204 458 HD12 ILE 59 HD12 ILE 59 -3.575 5.898 9.794 459 HD13 ILE 59 HD13 ILE 59 -3.655 7.618 9.403 460 H GLU 60 H GLU 60 -4.532 7.185 4.513 461 HA GLU 60 HA GLU 60 -6.222 5.140 3.679 462 HB2 GLU 60 HB2 GLU 60 -6.847 7.524 3.834 463 HB3 GLU 60 HB3 GLU 60 -5.862 7.870 2.419 464 HG2 GLU 60 HG2 GLU 60 -7.308 6.532 1.027 465 HG3 GLU 60 HG3 GLU 60 -8.232 6.010 2.432 466 H THR 61 H THR 61 -3.830 6.914 1.709 467 HA THR 61 HA THR 61 -4.121 5.602 -0.703 468 HB THR 61 HB THR 61 -1.537 6.599 0.541 469 HG1 THR 61 HG1 THR 61 -2.807 8.355 0.279 470 HG21 THR 61 HG21 THR 61 -1.046 5.076 -1.307 471 HG22 THR 61 HG22 THR 61 -0.689 6.741 -1.771 472 HG23 THR 61 HG23 THR 61 -2.160 5.958 -2.352 473 H THR 62 H THR 62 -2.107 4.617 2.055 474 HA THR 62 HA THR 62 -0.900 2.389 0.832 475 HB THR 62 HB THR 62 -1.448 2.795 3.785 476 HG1 THR 62 HG1 THR 62 -0.088 4.406 3.336 477 HG21 THR 62 HG21 THR 62 -0.893 0.469 3.298 478 HG22 THR 62 HG22 THR 62 0.470 1.257 4.091 479 HG23 THR 62 HG23 THR 62 0.506 0.977 2.352 480 H ASN 63 H ASN 63 -3.672 2.390 3.154 481 HA ASN 63 HA ASN 63 -4.058 -0.417 2.861 482 HB2 ASN 63 HB2 ASN 63 -6.065 -0.180 4.180 483 HB3 ASN 63 HB3 ASN 63 -4.801 0.822 4.879 484 HD21 ASN 63 HD21 ASN 63 -5.066 3.029 4.918 485 HD22 ASN 63 HD22 ASN 63 -6.548 3.797 4.487 486 H ARG 64 H ARG 64 -5.245 2.320 1.064 487 HA ARG 64 HA ARG 64 -7.335 1.032 -0.340 488 HB2 ARG 64 HB2 ARG 64 -7.066 3.459 -0.391 489 HB3 ARG 64 HB3 ARG 64 -5.510 3.297 -1.192 490 HG2 ARG 64 HG2 ARG 64 -6.608 2.356 -3.166 491 HG3 ARG 64 HG3 ARG 64 -8.173 2.481 -2.360 492 HD2 ARG 64 HD2 ARG 64 -7.925 4.917 -2.236 493 HD3 ARG 64 HD3 ARG 64 -6.349 4.800 -3.021 494 HE ARG 64 HE ARG 64 -7.951 3.626 -4.824 495 HH11 ARG 64 HH11 ARG 64 -8.322 6.580 -3.086 496 HH12 ARG 64 HH12 ARG 64 -9.161 7.359 -4.381 497 HH21 ARG 64 HH21 ARG 64 -9.044 4.646 -6.476 498 HH22 ARG 64 HH22 ARG 64 -9.557 6.286 -6.281 499 H ALA 65 H ALA 65 -3.930 1.602 -1.301 500 HA ALA 65 HA ALA 65 -3.945 0.094 -3.653 501 HB1 ALA 65 HB1 ALA 65 -2.140 1.624 -3.066 502 HB2 ALA 65 HB2 ALA 65 -1.508 0.020 -3.432 503 HB3 ALA 65 HB3 ALA 65 -1.641 0.555 -1.756 504 H ILE 66 H ILE 66 -3.107 -0.932 -0.343 505 HA ILE 66 HA ILE 66 -2.513 -3.615 -0.860 506 HB ILE 66 HB ILE 66 -3.779 -2.367 1.592 507 HG12 ILE 66 HG12 ILE 66 -0.911 -3.168 1.004 508 HG13 ILE 66 HG13 ILE 66 -1.530 -1.520 1.027 509 HG21 ILE 66 HG21 ILE 66 -4.282 -4.744 1.583 510 HG22 ILE 66 HG22 ILE 66 -3.068 -4.387 2.811 511 HG23 ILE 66 HG23 ILE 66 -2.585 -5.127 1.285 512 HD11 ILE 66 HD11 ILE 66 -1.430 -3.386 3.388 513 HD12 ILE 66 HD12 ILE 66 -2.015 -1.722 3.400 514 HD13 ILE 66 HD13 ILE 66 -0.317 -2.058 3.064 515 H SER 67 H SER 67 -5.658 -2.171 0.035 516 HA SER 67 HA SER 67 -7.238 -4.459 -0.021 517 HB2 SER 67 HB2 SER 67 -8.101 -2.338 0.794 518 HB3 SER 67 HB3 SER 67 -7.967 -1.624 -0.813 519 HG SER 67 HG SER 67 -10.084 -2.242 -0.492 520 H LEU 68 H LEU 68 -6.509 -2.227 -2.704 521 HA LEU 68 HA LEU 68 -8.017 -3.517 -4.682 522 HB2 LEU 68 HB2 LEU 68 -5.466 -1.920 -4.988 523 HB3 LEU 68 HB3 LEU 68 -6.561 -2.337 -6.296 524 HG LEU 68 HG LEU 68 -7.195 -0.541 -3.945 525 HD11 LEU 68 HD11 LEU 68 -6.836 0.088 -6.876 526 HD12 LEU 68 HD12 LEU 68 -5.726 0.512 -5.572 527 HD13 LEU 68 HD13 LEU 68 -7.335 1.231 -5.626 528 HD21 LEU 68 HD21 LEU 68 -9.163 -1.807 -4.594 529 HD22 LEU 68 HD22 LEU 68 -8.926 -1.347 -6.283 530 HD23 LEU 68 HD23 LEU 68 -9.326 -0.120 -5.081 531 H TYR 69 H TYR 69 -4.536 -3.886 -3.913 532 HA TYR 69 HA TYR 69 -4.020 -5.841 -5.881 533 HB2 TYR 69 HB2 TYR 69 -2.576 -4.850 -3.467 534 HB3 TYR 69 HB3 TYR 69 -2.045 -6.379 -4.163 535 HD1 TYR 69 HD1 TYR 69 -2.754 -2.829 -5.104 536 HD2 TYR 69 HD2 TYR 69 -0.582 -6.387 -5.980 537 HE1 TYR 69 HE1 TYR 69 -1.482 -1.627 -6.830 538 HE2 TYR 69 HE2 TYR 69 0.688 -5.192 -7.710 539 HH TYR 69 HH TYR 69 0.571 -3.280 -9.074 540 H MET 70 H MET 70 -5.793 -6.170 -3.014 541 HA MET 70 HA MET 70 -5.404 -9.077 -2.956 542 HB2 MET 70 HB2 MET 70 -7.131 -7.334 -1.181 543 HB3 MET 70 HB3 MET 70 -6.826 -9.049 -0.960 544 HG2 MET 70 HG2 MET 70 -4.580 -7.063 -0.961 545 HG3 MET 70 HG3 MET 70 -5.534 -7.368 0.485 546 HE1 MET 70 HE1 MET 70 -2.806 -8.729 -1.972 547 HE2 MET 70 HE2 MET 70 -4.125 -9.832 -2.367 548 HE3 MET 70 HE3 MET 70 -2.697 -10.431 -1.523 549 H ALA 71 H ALA 71 -8.215 -6.855 -3.022 550 HA ALA 71 HA ALA 71 -10.104 -8.793 -3.790 551 HB1 ALA 71 HB1 ALA 71 -11.591 -6.922 -4.246 552 HB2 ALA 71 HB2 ALA 71 -10.219 -5.811 -4.230 553 HB3 ALA 71 HB3 ALA 71 -10.691 -6.651 -2.753 554 H ASN 72 H ASN 72 -8.344 -6.420 -5.798 555 HA ASN 72 HA ASN 72 -9.530 -7.089 -8.265 556 HB2 ASN 72 HB2 ASN 72 -8.231 -5.029 -7.907 557 HB3 ASN 72 HB3 ASN 72 -6.763 -5.979 -7.715 558 HD21 ASN 72 HD21 ASN 72 -9.098 -4.750 -9.953 559 HD22 ASN 72 HD22 ASN 72 -8.205 -5.106 -11.384 560 H LEU 73 H LEU 73 -6.637 -8.336 -6.649 561 HA LEU 73 HA LEU 73 -5.701 -10.016 -8.700 562 HB2 LEU 73 HB2 LEU 73 -4.379 -9.370 -6.728 563 HB3 LEU 73 HB3 LEU 73 -5.440 -10.315 -5.701 564 HG LEU 73 HG LEU 73 -4.694 -12.380 -6.843 565 HD11 LEU 73 HD11 LEU 73 -2.771 -12.316 -8.349 566 HD12 LEU 73 HD12 LEU 73 -2.780 -10.553 -8.300 567 HD13 LEU 73 HD13 LEU 73 -4.135 -11.423 -9.019 568 HD21 LEU 73 HD21 LEU 73 -3.571 -11.657 -4.797 569 HD22 LEU 73 HD22 LEU 73 -2.443 -10.683 -5.744 570 HD23 LEU 73 HD23 LEU 73 -2.434 -12.441 -5.892 571 H GLU 74 H GLU 74 -7.644 -10.858 -5.819 572 HA GLU 74 HA GLU 74 -8.105 -13.538 -6.421 573 HB2 GLU 74 HB2 GLU 74 -9.917 -11.610 -4.947 574 HB3 GLU 74 HB3 GLU 74 -10.054 -13.364 -4.901 575 HG2 GLU 74 HG2 GLU 74 -7.859 -13.530 -3.858 576 HG3 GLU 74 HG3 GLU 74 -7.673 -11.779 -3.944 577 H HIS 75 H HIS 75 -10.030 -10.683 -7.337 578 HA HIS 75 HA HIS 75 -11.972 -12.282 -8.755 579 HB2 HIS 75 HB2 HIS 75 -11.588 -9.290 -8.590 580 HB3 HIS 75 HB3 HIS 75 -12.905 -10.068 -9.467 581 HD1 HIS 75 HD1 HIS 75 -12.180 -8.644 -6.282 582 HD2 HIS 75 HD2 HIS 75 -14.441 -11.872 -7.592 583 HE1 HIS 75 HE1 HIS 75 -13.764 -9.158 -4.407 584 HE2 HIS 75 HE2 HIS 75 -15.010 -11.210 -5.159 585 H HIS 76 H HIS 76 -8.876 -11.539 -9.572 586 HA HIS 76 HA HIS 76 -9.559 -11.734 -12.430 587 HB2 HIS 76 HB2 HIS 76 -7.048 -10.862 -11.028 588 HB3 HIS 76 HB3 HIS 76 -6.976 -11.453 -12.690 589 HD1 HIS 76 HD1 HIS 76 -6.612 -8.397 -11.483 590 HD2 HIS 76 HD2 HIS 76 -9.712 -9.940 -13.778 591 HE1 HIS 76 HE1 HIS 76 -7.656 -6.421 -12.622 592 HE2 HIS 76 HE2 HIS 76 -9.637 -7.359 -13.852 593 H HIS 77 H HIS 77 -8.449 -13.584 -9.755 594 HA HIS 77 HA HIS 77 -7.735 -15.863 -11.427 595 HB2 HIS 77 HB2 HIS 77 -8.083 -15.518 -8.442 596 HB3 HIS 77 HB3 HIS 77 -7.806 -17.092 -9.180 597 HD1 HIS 77 HD1 HIS 77 -5.441 -17.673 -9.842 598 HD2 HIS 77 HD2 HIS 77 -5.849 -13.722 -8.626 599 HE1 HIS 77 HE1 HIS 77 -3.105 -16.796 -9.616 600 HE2 HIS 77 HE2 HIS 77 -3.374 -14.479 -8.684 601 H HIS 78 H HIS 78 -10.497 -14.557 -9.768 602 HA HIS 78 HA HIS 78 -12.211 -16.548 -11.102 603 HB2 HIS 78 HB2 HIS 78 -12.643 -15.466 -8.295 604 HB3 HIS 78 HB3 HIS 78 -13.739 -16.535 -9.164 605 HD1 HIS 78 HD1 HIS 78 -10.726 -16.516 -7.056 606 HD2 HIS 78 HD2 HIS 78 -12.766 -19.218 -9.466 607 HE1 HIS 78 HE1 HIS 78 -9.822 -18.773 -6.450 608 HE2 HIS 78 HE2 HIS 78 -11.190 -20.400 -7.789 609 H HIS 79 H HIS 79 -13.050 -15.253 -12.717 610 HA HIS 79 HA HIS 79 -14.370 -12.761 -11.850 611 HB2 HIS 79 HB2 HIS 79 -12.116 -12.349 -12.946 612 HB3 HIS 79 HB3 HIS 79 -12.824 -12.951 -14.440 613 HD1 HIS 79 HD1 HIS 79 -13.675 -11.142 -15.891 614 HD2 HIS 79 HD2 HIS 79 -13.828 -10.083 -11.877 615 HE1 HIS 79 HE1 HIS 79 -14.579 -8.804 -15.848 616 HE2 HIS 79 HE2 HIS 79 -14.758 -8.221 -13.413 617 H HIS 80 H HIS 80 -16.345 -13.839 -11.909 618 HA HIS 80 HA HIS 80 -18.333 -14.510 -12.752 619 HB2 HIS 80 HB2 HIS 80 -18.183 -12.271 -13.801 620 HB3 HIS 80 HB3 HIS 80 -17.456 -13.003 -15.227 621 HD1 HIS 80 HD1 HIS 80 -19.052 -13.685 -17.012 622 HD2 HIS 80 HD2 HIS 80 -20.923 -13.288 -13.326 623 HE1 HIS 80 HE1 HIS 80 -21.496 -14.005 -17.466 624 HE2 HIS 80 HE2 HIS 80 -22.616 -13.577 -15.257 Start of MODEL 2 1 H1 MET 1 H1 MET 1 16.430 -7.651 -4.880 2 H2 MET 1 H2 MET 1 17.594 -7.005 -5.918 3 H3 MET 1 H3 MET 1 17.939 -8.401 -5.027 4 HA MET 1 HA MET 1 15.935 -8.142 -7.196 5 HB2 MET 1 HB2 MET 1 18.351 -8.196 -7.886 6 HB3 MET 1 HB3 MET 1 18.496 -9.767 -7.113 7 HG2 MET 1 HG2 MET 1 16.622 -9.144 -9.390 8 HG3 MET 1 HG3 MET 1 18.213 -9.882 -9.567 9 HE1 MET 1 HE1 MET 1 15.723 -12.830 -10.308 10 HE2 MET 1 HE2 MET 1 17.064 -11.868 -10.933 11 HE3 MET 1 HE3 MET 1 15.478 -11.128 -10.705 12 H ALA 2 H ALA 2 17.741 -10.739 -5.507 13 HA ALA 2 HA ALA 2 15.419 -12.464 -5.508 14 HB1 ALA 2 HB1 ALA 2 16.877 -14.086 -4.406 15 HB2 ALA 2 HB2 ALA 2 18.115 -12.847 -4.191 16 HB3 ALA 2 HB3 ALA 2 17.678 -13.386 -5.812 17 H GLY 3 H GLY 3 14.339 -10.546 -4.318 18 HA2 GLY 3 HA2 GLY 3 13.394 -10.987 -1.873 19 HA3 GLY 3 HA3 GLY 3 14.967 -10.300 -1.480 20 H ASP 4 H ASP 4 12.911 -8.891 -0.548 21 HA ASP 4 HA ASP 4 11.754 -6.932 -0.562 22 HB2 ASP 4 HB2 ASP 4 13.835 -6.095 -2.603 23 HB3 ASP 4 HB3 ASP 4 12.817 -5.009 -1.663 24 HA PRO 5 HA PRO 5 9.376 -8.431 -4.255 25 HB2 PRO 5 HB2 PRO 5 6.913 -7.820 -3.141 26 HB3 PRO 5 HB3 PRO 5 7.757 -9.362 -2.952 27 HG2 PRO 5 HG2 PRO 5 7.669 -7.010 -1.093 28 HG3 PRO 5 HG3 PRO 5 7.563 -8.740 -0.715 29 HD2 PRO 5 HD2 PRO 5 9.838 -7.383 -0.336 30 HD3 PRO 5 HD3 PRO 5 9.864 -9.055 -0.938 31 H MET 6 H MET 6 9.311 -5.347 -2.634 32 HA MET 6 HA MET 6 8.822 -3.228 -3.274 33 HB2 MET 6 HB2 MET 6 9.408 -4.355 -6.020 34 HB3 MET 6 HB3 MET 6 9.288 -2.642 -5.644 35 HG2 MET 6 HG2 MET 6 11.207 -2.803 -4.165 36 HG3 MET 6 HG3 MET 6 11.298 -4.541 -4.442 37 HE1 MET 6 HE1 MET 6 12.141 -1.380 -7.710 38 HE2 MET 6 HE2 MET 6 11.683 -0.977 -6.056 39 HE3 MET 6 HE3 MET 6 10.515 -1.739 -7.136 40 H THR 7 H THR 7 7.507 -4.728 -6.212 41 HA THR 7 HA THR 7 5.610 -4.203 -7.385 42 HB THR 7 HB THR 7 3.569 -5.124 -6.429 43 HG1 THR 7 HG1 THR 7 3.258 -5.171 -4.348 44 HG21 THR 7 HG21 THR 7 6.001 -6.762 -5.702 45 HG22 THR 7 HG22 THR 7 5.236 -6.687 -7.290 46 HG23 THR 7 HG23 THR 7 4.366 -7.388 -5.925 47 H PHE 8 H PHE 8 4.299 -3.283 -4.192 48 HA PHE 8 HA PHE 8 2.762 -1.165 -5.233 49 HB2 PHE 8 HB2 PHE 8 2.183 -2.238 -3.123 50 HB3 PHE 8 HB3 PHE 8 3.679 -1.668 -2.388 51 HD1 PHE 8 HD1 PHE 8 0.636 -0.344 -4.105 52 HD2 PHE 8 HD2 PHE 8 3.611 0.275 -1.117 53 HE1 PHE 8 HE1 PHE 8 -0.516 1.707 -3.382 54 HE2 PHE 8 HE2 PHE 8 2.461 2.324 -0.390 55 HZ PHE 8 HZ PHE 8 0.393 3.043 -1.524 56 H TYR 9 H TYR 9 6.013 -1.237 -3.875 57 HA TYR 9 HA TYR 9 6.498 1.498 -3.597 58 HB2 TYR 9 HB2 TYR 9 8.059 -0.261 -2.835 59 HB3 TYR 9 HB3 TYR 9 8.448 -0.641 -4.509 60 HD1 TYR 9 HD1 TYR 9 8.506 2.203 -2.081 61 HD2 TYR 9 HD2 TYR 9 10.283 0.420 -5.519 62 HE1 TYR 9 HE1 TYR 9 10.299 3.889 -2.023 63 HE2 TYR 9 HE2 TYR 9 12.078 2.098 -5.469 64 HH TYR 9 HH TYR 9 12.456 4.381 -4.607 65 H ASN 10 H ASN 10 6.764 -0.560 -6.476 66 HA ASN 10 HA ASN 10 7.660 1.498 -8.237 67 HB2 ASN 10 HB2 ASN 10 8.024 -0.853 -8.773 68 HB3 ASN 10 HB3 ASN 10 6.289 -1.149 -8.793 69 HD21 ASN 10 HD21 ASN 10 5.088 -0.499 -10.570 70 HD22 ASN 10 HD22 ASN 10 5.820 0.015 -12.046 71 H PHE 11 H PHE 11 4.482 0.105 -7.512 72 HA PHE 11 HA PHE 11 2.930 1.478 -9.381 73 HB2 PHE 11 HB2 PHE 11 2.099 -0.422 -8.085 74 HB3 PHE 11 HB3 PHE 11 2.183 0.523 -6.604 75 HD1 PHE 11 HD1 PHE 11 0.534 0.450 -9.944 76 HD2 PHE 11 HD2 PHE 11 0.315 1.719 -5.882 77 HE1 PHE 11 HE1 PHE 11 -1.782 1.202 -10.306 78 HE2 PHE 11 HE2 PHE 11 -2.000 2.471 -6.237 79 HZ PHE 11 HZ PHE 11 -3.051 2.213 -8.451 80 H ILE 12 H ILE 12 3.620 2.397 -5.997 81 HA ILE 12 HA ILE 12 2.023 4.719 -6.019 82 HB ILE 12 HB ILE 12 2.741 3.542 -3.954 83 HG12 ILE 12 HG12 ILE 12 3.123 5.590 -2.598 84 HG13 ILE 12 HG13 ILE 12 3.441 6.492 -4.076 85 HG21 ILE 12 HG21 ILE 12 5.418 4.848 -4.453 86 HG22 ILE 12 HG22 ILE 12 5.074 3.120 -4.520 87 HG23 ILE 12 HG23 ILE 12 4.946 3.982 -2.988 88 HD11 ILE 12 HD11 ILE 12 1.164 6.097 -4.822 89 HD12 ILE 12 HD12 ILE 12 1.186 6.871 -3.238 90 HD13 ILE 12 HD13 ILE 12 0.840 5.148 -3.372 91 H MET 13 H MET 13 5.484 4.253 -6.727 92 HA MET 13 HA MET 13 6.190 6.980 -6.862 93 HB2 MET 13 HB2 MET 13 7.389 4.590 -8.274 94 HB3 MET 13 HB3 MET 13 8.089 6.202 -8.324 95 HG2 MET 13 HG2 MET 13 8.233 6.123 -5.826 96 HG3 MET 13 HG3 MET 13 7.740 4.433 -5.914 97 HE1 MET 13 HE1 MET 13 9.227 3.647 -8.701 98 HE2 MET 13 HE2 MET 13 9.178 2.576 -7.303 99 HE3 MET 13 HE3 MET 13 10.719 2.946 -8.078 100 H GLY 14 H GLY 14 4.425 4.997 -9.099 101 HA2 GLY 14 HA2 GLY 14 4.761 6.427 -11.486 102 HA3 GLY 14 HA3 GLY 14 3.315 5.536 -11.039 103 H PHE 15 H PHE 15 2.805 7.173 -8.657 104 HA PHE 15 HA PHE 15 1.506 9.427 -9.989 105 HB2 PHE 15 HB2 PHE 15 1.289 8.498 -7.113 106 HB3 PHE 15 HB3 PHE 15 0.261 9.690 -7.899 107 HD1 PHE 15 HD1 PHE 15 -1.273 8.958 -9.747 108 HD2 PHE 15 HD2 PHE 15 0.853 6.178 -7.309 109 HE1 PHE 15 HE1 PHE 15 -2.806 7.165 -10.448 110 HE2 PHE 15 HE2 PHE 15 -0.678 4.387 -8.013 111 HZ PHE 15 HZ PHE 15 -2.509 4.879 -9.583 112 H GLN 16 H GLN 16 4.410 8.904 -8.431 113 HA GLN 16 HA GLN 16 4.658 11.259 -6.842 114 HB2 GLN 16 HB2 GLN 16 6.014 9.243 -6.460 115 HB3 GLN 16 HB3 GLN 16 6.787 9.452 -8.022 116 HG2 GLN 16 HG2 GLN 16 7.074 11.841 -6.418 117 HG3 GLN 16 HG3 GLN 16 7.649 10.427 -5.538 118 HE21 GLN 16 HE21 GLN 16 8.110 12.445 -8.327 119 HE22 GLN 16 HE22 GLN 16 9.678 11.858 -8.743 120 H ASN 17 H ASN 17 4.607 10.851 -10.182 121 HA ASN 17 HA ASN 17 6.529 12.815 -10.958 122 HB2 ASN 17 HB2 ASN 17 5.661 10.968 -12.432 123 HB3 ASN 17 HB3 ASN 17 4.144 11.855 -12.556 124 HD21 ASN 17 HD21 ASN 17 7.490 11.776 -13.450 125 HD22 ASN 17 HD22 ASN 17 7.400 12.999 -14.664 126 H ASP 18 H ASP 18 2.949 12.897 -10.852 127 HA ASP 18 HA ASP 18 2.919 15.769 -11.279 128 HB2 ASP 18 HB2 ASP 18 0.618 13.880 -10.704 129 HB3 ASP 18 HB3 ASP 18 0.490 15.533 -11.297 130 H ASN 19 H ASN 19 1.562 17.170 -9.838 131 HA ASN 19 HA ASN 19 2.344 16.994 -7.109 132 HB2 ASN 19 HB2 ASN 19 1.920 19.157 -8.191 133 HB3 ASN 19 HB3 ASN 19 0.229 18.729 -8.414 134 HD21 ASN 19 HD21 ASN 19 2.647 19.722 -6.133 135 HD22 ASN 19 HD22 ASN 19 1.559 20.102 -4.848 136 H THR 20 H THR 20 1.615 15.022 -6.278 137 HA THR 20 HA THR 20 -1.283 14.863 -5.748 138 HB THR 20 HB THR 20 -1.351 12.484 -6.144 139 HG1 THR 20 HG1 THR 20 1.217 12.316 -7.229 140 HG21 THR 20 HG21 THR 20 -1.704 13.861 -8.134 141 HG22 THR 20 HG22 THR 20 -0.898 12.350 -8.559 142 HG23 THR 20 HG23 THR 20 0.030 13.848 -8.465 143 HA PRO 21 HA PRO 21 -0.011 13.984 -1.530 144 HB2 PRO 21 HB2 PRO 21 -2.177 12.441 -0.788 145 HB3 PRO 21 HB3 PRO 21 -2.171 14.208 -0.799 146 HG2 PRO 21 HG2 PRO 21 -3.237 12.301 -2.850 147 HG3 PRO 21 HG3 PRO 21 -3.948 13.812 -2.251 148 HD2 PRO 21 HD2 PRO 21 -2.683 13.693 -4.619 149 HD3 PRO 21 HD3 PRO 21 -2.573 15.131 -3.583 150 H PHE 22 H PHE 22 -0.960 11.512 -3.819 151 HA PHE 22 HA PHE 22 0.059 9.246 -2.453 152 HB2 PHE 22 HB2 PHE 22 -0.138 9.653 -5.450 153 HB3 PHE 22 HB3 PHE 22 -0.083 8.115 -4.593 154 HD1 PHE 22 HD1 PHE 22 -2.014 7.672 -2.910 155 HD2 PHE 22 HD2 PHE 22 -2.187 10.574 -6.019 156 HE1 PHE 22 HE1 PHE 22 -4.472 7.651 -2.789 157 HE2 PHE 22 HE2 PHE 22 -4.643 10.560 -5.902 158 HZ PHE 22 HZ PHE 22 -5.793 9.096 -4.286 159 H GLY 23 H GLY 23 1.486 11.552 -4.736 160 HA2 GLY 23 HA2 GLY 23 4.024 10.410 -5.034 161 HA3 GLY 23 HA3 GLY 23 3.666 12.126 -5.153 162 H ILE 24 H ILE 24 2.789 12.572 -2.515 163 HA ILE 24 HA ILE 24 5.194 12.982 -1.116 164 HB ILE 24 HB ILE 24 2.378 12.878 0.001 165 HG12 ILE 24 HG12 ILE 24 4.032 15.223 -0.988 166 HG13 ILE 24 HG13 ILE 24 2.646 14.523 -1.818 167 HG21 ILE 24 HG21 ILE 24 3.260 14.253 1.842 168 HG22 ILE 24 HG22 ILE 24 4.885 14.105 1.169 169 HG23 ILE 24 HG23 ILE 24 4.046 12.675 1.774 170 HD11 ILE 24 HD11 ILE 24 1.213 15.191 0.060 171 HD12 ILE 24 HD12 ILE 24 2.024 16.561 -0.700 172 HD13 ILE 24 HD13 ILE 24 2.611 15.936 0.840 173 H LEU 25 H LEU 25 2.751 10.414 -0.824 174 HA LEU 25 HA LEU 25 3.949 8.980 1.287 175 HB2 LEU 25 HB2 LEU 25 1.629 8.664 0.313 176 HB3 LEU 25 HB3 LEU 25 2.373 7.814 -1.023 177 HG LEU 25 HG LEU 25 1.328 6.365 0.763 178 HD11 LEU 25 HD11 LEU 25 2.963 5.459 -0.816 179 HD12 LEU 25 HD12 LEU 25 3.087 4.697 0.768 180 HD13 LEU 25 HD13 LEU 25 4.271 5.908 0.280 181 HD21 LEU 25 HD21 LEU 25 3.699 7.283 2.389 182 HD22 LEU 25 HD22 LEU 25 2.580 5.994 2.828 183 HD23 LEU 25 HD23 LEU 25 2.006 7.657 2.712 184 H ALA 26 H ALA 26 4.318 8.702 -2.241 185 HA ALA 26 HA ALA 26 6.112 6.558 -2.328 186 HB1 ALA 26 HB1 ALA 26 5.941 8.869 -4.266 187 HB2 ALA 26 HB2 ALA 26 4.910 7.439 -4.286 188 HB3 ALA 26 HB3 ALA 26 6.639 7.280 -4.583 189 H GLU 27 H GLU 27 6.885 10.058 -2.414 190 HA GLU 27 HA GLU 27 9.684 9.695 -2.464 191 HB2 GLU 27 HB2 GLU 27 9.856 12.075 -1.910 192 HB3 GLU 27 HB3 GLU 27 8.636 11.806 -3.146 193 HG2 GLU 27 HG2 GLU 27 6.868 12.036 -1.507 194 HG3 GLU 27 HG3 GLU 27 8.056 12.210 -0.217 195 H HIS 28 H HIS 28 7.397 9.785 0.205 196 HA HIS 28 HA HIS 28 9.388 10.180 2.233 197 HB2 HIS 28 HB2 HIS 28 6.966 10.776 2.498 198 HB3 HIS 28 HB3 HIS 28 6.605 9.054 2.600 199 HD1 HIS 28 HD1 HIS 28 7.905 11.909 4.558 200 HD2 HIS 28 HD2 HIS 28 7.587 7.791 4.986 201 HE1 HIS 28 HE1 HIS 28 8.348 11.450 6.982 202 HE2 HIS 28 HE2 HIS 28 8.456 8.944 7.129 203 H VAL 29 H VAL 29 7.760 7.295 0.900 204 HA VAL 29 HA VAL 29 9.078 5.503 2.734 205 HB VAL 29 HB VAL 29 8.224 3.677 1.345 206 HG11 VAL 29 HG11 VAL 29 5.836 4.100 1.620 207 HG12 VAL 29 HG12 VAL 29 6.150 5.827 1.799 208 HG13 VAL 29 HG13 VAL 29 6.744 4.693 3.011 209 HG21 VAL 29 HG21 VAL 29 8.519 4.631 -0.864 210 HG22 VAL 29 HG22 VAL 29 7.288 5.850 -0.530 211 HG23 VAL 29 HG23 VAL 29 6.837 4.151 -0.638 212 H SER 30 H SER 30 9.876 6.910 -0.321 213 HA SER 30 HA SER 30 12.108 5.201 -0.920 214 HB2 SER 30 HB2 SER 30 11.025 6.424 -2.719 215 HB3 SER 30 HB3 SER 30 11.344 7.961 -1.918 216 HG SER 30 HG SER 30 12.885 7.693 -3.477 217 H GLU 31 H GLU 31 11.740 8.445 0.480 218 HA GLU 31 HA GLU 31 14.565 8.489 1.288 219 HB2 GLU 31 HB2 GLU 31 12.471 10.673 1.460 220 HB3 GLU 31 HB3 GLU 31 14.196 10.864 1.731 221 HG2 GLU 31 HG2 GLU 31 12.919 10.103 -0.893 222 HG3 GLU 31 HG3 GLU 31 13.457 11.722 -0.453 223 H ASP 32 H ASP 32 13.923 10.426 3.476 224 HA ASP 32 HA ASP 32 13.318 10.576 5.651 225 HB2 ASP 32 HB2 ASP 32 11.055 10.047 5.008 226 HB3 ASP 32 HB3 ASP 32 11.427 8.330 4.918 227 H LYS 33 H LYS 33 13.111 7.030 5.228 228 HA LYS 33 HA LYS 33 15.555 6.660 6.743 229 HB2 LYS 33 HB2 LYS 33 14.502 5.253 8.490 230 HB3 LYS 33 HB3 LYS 33 13.993 6.933 8.569 231 HG2 LYS 33 HG2 LYS 33 11.871 6.362 7.495 232 HG3 LYS 33 HG3 LYS 33 12.387 4.680 7.355 233 HD2 LYS 33 HD2 LYS 33 10.901 4.938 9.263 234 HD3 LYS 33 HD3 LYS 33 12.527 4.531 9.818 235 HE2 LYS 33 HE2 LYS 33 11.645 6.250 11.243 236 HE3 LYS 33 HE3 LYS 33 12.915 6.957 10.250 237 HZ1 LYS 33 HZ1 LYS 33 11.130 7.790 8.761 238 HZ2 LYS 33 HZ2 LYS 33 11.076 8.452 10.316 239 HZ3 LYS 33 HZ3 LYS 33 9.986 7.241 9.875 240 H ALA 34 H ALA 34 12.796 5.197 5.070 241 HA ALA 34 HA ALA 34 12.532 3.251 3.904 242 HB1 ALA 34 HB1 ALA 34 14.390 2.586 2.486 243 HB2 ALA 34 HB2 ALA 34 15.513 3.515 3.483 244 HB3 ALA 34 HB3 ALA 34 14.272 4.346 2.543 245 H PHE 35 H PHE 35 13.134 3.044 6.781 246 HA PHE 35 HA PHE 35 14.928 0.956 7.350 247 HB2 PHE 35 HB2 PHE 35 14.192 2.495 9.081 248 HB3 PHE 35 HB3 PHE 35 12.531 1.941 8.917 249 HD1 PHE 35 HD1 PHE 35 15.941 0.606 9.672 250 HD2 PHE 35 HD2 PHE 35 11.752 0.347 10.412 251 HE1 PHE 35 HE1 PHE 35 16.350 -1.100 11.398 252 HE2 PHE 35 HE2 PHE 35 12.160 -1.358 12.138 253 HZ PHE 35 HZ PHE 35 14.458 -2.084 12.632 254 HA PRO 36 HA PRO 36 12.370 -2.420 5.791 255 HB2 PRO 36 HB2 PRO 36 14.203 -4.379 6.119 256 HB3 PRO 36 HB3 PRO 36 14.307 -3.197 4.811 257 HG2 PRO 36 HG2 PRO 36 15.749 -3.242 7.442 258 HG3 PRO 36 HG3 PRO 36 16.391 -2.899 5.822 259 HD2 PRO 36 HD2 PRO 36 15.749 -0.945 7.601 260 HD3 PRO 36 HD3 PRO 36 15.627 -0.724 5.844 261 H ARG 37 H ARG 37 11.181 -4.096 6.694 262 HA ARG 37 HA ARG 37 11.430 -4.451 9.625 263 HB2 ARG 37 HB2 ARG 37 8.945 -4.831 7.930 264 HB3 ARG 37 HB3 ARG 37 9.040 -4.872 9.686 265 HG2 ARG 37 HG2 ARG 37 9.486 -2.463 7.920 266 HG3 ARG 37 HG3 ARG 37 8.079 -2.775 8.936 267 HD2 ARG 37 HD2 ARG 37 10.908 -2.391 9.933 268 HD3 ARG 37 HD3 ARG 37 9.646 -1.162 9.950 269 HE ARG 37 HE ARG 37 8.438 -2.549 11.542 270 HH11 ARG 37 HH11 ARG 37 11.770 -3.307 11.063 271 HH12 ARG 37 HH12 ARG 37 11.925 -4.052 12.616 272 HH21 ARG 37 HH21 ARG 37 8.665 -3.515 13.520 273 HH22 ARG 37 HH22 ARG 37 10.196 -4.192 13.971 274 H LEU 38 H LEU 38 10.014 -6.194 6.872 275 HA LEU 38 HA LEU 38 11.715 -8.377 6.796 276 HB2 LEU 38 HB2 LEU 38 10.791 -8.857 9.080 277 HB3 LEU 38 HB3 LEU 38 9.200 -9.018 8.364 278 HG LEU 38 HG LEU 38 9.937 -10.966 7.082 279 HD11 LEU 38 HD11 LEU 38 12.156 -11.956 7.465 280 HD12 LEU 38 HD12 LEU 38 12.612 -10.543 8.415 281 HD13 LEU 38 HD13 LEU 38 12.256 -10.373 6.696 282 HD21 LEU 38 HD21 LEU 38 10.655 -11.179 10.009 283 HD22 LEU 38 HD22 LEU 38 10.281 -12.530 8.937 284 HD23 LEU 38 HD23 LEU 38 9.039 -11.339 9.322 285 H GLU 39 H GLU 39 11.308 -7.819 4.624 286 HA GLU 39 HA GLU 39 8.625 -7.563 3.636 287 HB2 GLU 39 HB2 GLU 39 11.304 -7.396 2.244 288 HB3 GLU 39 HB3 GLU 39 9.766 -7.083 1.454 289 HG2 GLU 39 HG2 GLU 39 10.801 -4.995 2.040 290 HG3 GLU 39 HG3 GLU 39 9.362 -5.224 3.030 291 H GLU 40 H GLU 40 7.753 -9.652 3.896 292 HA GLU 40 HA GLU 40 8.578 -11.510 1.755 293 HB2 GLU 40 HB2 GLU 40 7.354 -12.226 4.432 294 HB3 GLU 40 HB3 GLU 40 7.703 -13.364 3.134 295 HG2 GLU 40 HG2 GLU 40 10.113 -12.739 3.317 296 HG3 GLU 40 HG3 GLU 40 9.703 -11.752 4.719 297 H ARG 41 H ARG 41 5.782 -10.472 3.729 298 HA ARG 41 HA ARG 41 4.031 -11.010 1.411 299 HB2 ARG 41 HB2 ARG 41 3.340 -10.816 4.354 300 HB3 ARG 41 HB3 ARG 41 2.164 -11.027 3.061 301 HG2 ARG 41 HG2 ARG 41 3.051 -13.186 2.516 302 HG3 ARG 41 HG3 ARG 41 4.400 -12.970 3.634 303 HD2 ARG 41 HD2 ARG 41 1.481 -13.115 4.398 304 HD3 ARG 41 HD3 ARG 41 2.657 -14.417 4.574 305 HE ARG 41 HE ARG 41 3.554 -12.085 5.902 306 HH11 ARG 41 HH11 ARG 41 1.292 -14.662 6.215 307 HH12 ARG 41 HH12 ARG 41 1.253 -14.561 7.936 308 HH21 ARG 41 HH21 ARG 41 3.498 -11.966 8.120 309 HH22 ARG 41 HH22 ARG 41 2.488 -13.055 9.004 310 H HIS 42 H HIS 42 2.348 -9.484 0.916 311 HA HIS 42 HA HIS 42 3.133 -6.715 1.405 312 HB2 HIS 42 HB2 HIS 42 0.992 -7.922 -0.367 313 HB3 HIS 42 HB3 HIS 42 1.328 -6.196 -0.256 314 HD1 HIS 42 HD1 HIS 42 2.466 -9.290 -1.909 315 HD2 HIS 42 HD2 HIS 42 3.911 -5.447 -1.284 316 HE1 HIS 42 HE1 HIS 42 4.307 -8.988 -3.582 317 HE2 HIS 42 HE2 HIS 42 4.992 -6.582 -3.340 318 H GLN 43 H GLN 43 0.644 -8.944 2.368 319 HA GLN 43 HA GLN 43 -1.415 -7.319 3.218 320 HB2 GLN 43 HB2 GLN 43 -1.540 -9.749 3.200 321 HB3 GLN 43 HB3 GLN 43 -0.349 -9.851 4.486 322 HG2 GLN 43 HG2 GLN 43 -1.936 -8.707 6.001 323 HG3 GLN 43 HG3 GLN 43 -3.130 -8.707 4.704 324 HE21 GLN 43 HE21 GLN 43 -4.564 -9.955 5.892 325 HE22 GLN 43 HE22 GLN 43 -4.302 -11.631 6.202 326 H VAL 44 H VAL 44 1.609 -8.014 4.918 327 HA VAL 44 HA VAL 44 0.780 -7.045 7.453 328 HB VAL 44 HB VAL 44 3.143 -7.173 8.097 329 HG11 VAL 44 HG11 VAL 44 3.475 -9.575 7.653 330 HG12 VAL 44 HG12 VAL 44 2.203 -9.515 6.431 331 HG13 VAL 44 HG13 VAL 44 1.814 -9.211 8.124 332 HG21 VAL 44 HG21 VAL 44 3.655 -7.768 5.172 333 HG22 VAL 44 HG22 VAL 44 4.847 -7.890 6.472 334 HG23 VAL 44 HG23 VAL 44 4.164 -6.321 6.045 335 H ILE 45 H ILE 45 2.098 -5.425 4.656 336 HA ILE 45 HA ILE 45 3.347 -3.216 5.820 337 HB ILE 45 HB ILE 45 1.809 -3.282 3.208 338 HG12 ILE 45 HG12 ILE 45 4.750 -3.794 3.767 339 HG13 ILE 45 HG13 ILE 45 3.559 -5.025 3.353 340 HG21 ILE 45 HG21 ILE 45 3.964 -1.384 4.152 341 HG22 ILE 45 HG22 ILE 45 2.258 -0.997 3.938 342 HG23 ILE 45 HG23 ILE 45 3.250 -1.404 2.539 343 HD11 ILE 45 HD11 ILE 45 3.242 -3.963 1.171 344 HD12 ILE 45 HD12 ILE 45 4.915 -4.451 1.435 345 HD13 ILE 45 HD13 ILE 45 4.457 -2.757 1.590 346 H ARG 46 H ARG 46 -0.053 -3.821 5.206 347 HA ARG 46 HA ARG 46 -1.153 -1.291 5.555 348 HB2 ARG 46 HB2 ARG 46 -2.475 -3.162 4.781 349 HB3 ARG 46 HB3 ARG 46 -2.237 -4.012 6.301 350 HG2 ARG 46 HG2 ARG 46 -3.510 -2.212 7.452 351 HG3 ARG 46 HG3 ARG 46 -3.835 -1.490 5.872 352 HD2 ARG 46 HD2 ARG 46 -4.998 -3.504 5.164 353 HD3 ARG 46 HD3 ARG 46 -4.601 -4.296 6.690 354 HE ARG 46 HE ARG 46 -6.080 -1.844 6.992 355 HH11 ARG 46 HH11 ARG 46 -6.329 -5.254 6.536 356 HH12 ARG 46 HH12 ARG 46 -7.927 -5.330 7.187 357 HH21 ARG 46 HH21 ARG 46 -8.121 -1.976 7.864 358 HH22 ARG 46 HH22 ARG 46 -8.923 -3.508 7.924 359 H ALA 47 H ALA 47 -0.159 -3.642 8.002 360 HA ALA 47 HA ALA 47 -1.419 -2.378 10.208 361 HB1 ALA 47 HB1 ALA 47 0.924 -4.281 10.180 362 HB2 ALA 47 HB2 ALA 47 -0.781 -4.733 10.237 363 HB3 ALA 47 HB3 ALA 47 -0.052 -3.862 11.588 364 H TYR 48 H TYR 48 1.901 -2.212 8.935 365 HA TYR 48 HA TYR 48 3.065 -0.800 11.050 366 HB2 TYR 48 HB2 TYR 48 3.811 -0.795 8.117 367 HB3 TYR 48 HB3 TYR 48 4.825 -0.160 9.409 368 HD1 TYR 48 HD1 TYR 48 5.394 -1.847 11.335 369 HD2 TYR 48 HD2 TYR 48 4.084 -3.019 7.455 370 HE1 TYR 48 HE1 TYR 48 6.373 -4.075 11.684 371 HE2 TYR 48 HE2 TYR 48 5.058 -5.250 7.797 372 HH TYR 48 HH TYR 48 6.041 -6.387 10.813 373 H VAL 49 H VAL 49 1.774 0.533 7.974 374 HA VAL 49 HA VAL 49 2.465 3.189 8.416 375 HB VAL 49 HB VAL 49 0.699 3.808 6.801 376 HG11 VAL 49 HG11 VAL 49 2.865 3.024 6.000 377 HG12 VAL 49 HG12 VAL 49 1.576 2.520 4.907 378 HG13 VAL 49 HG13 VAL 49 2.286 1.356 6.027 379 HG21 VAL 49 HG21 VAL 49 -1.064 2.275 7.486 380 HG22 VAL 49 HG22 VAL 49 -0.097 0.892 6.968 381 HG23 VAL 49 HG23 VAL 49 -0.695 2.049 5.777 382 H MET 50 H MET 50 -0.485 1.503 9.472 383 HA MET 50 HA MET 50 -1.812 3.822 10.454 384 HB2 MET 50 HB2 MET 50 -2.191 0.904 11.177 385 HB3 MET 50 HB3 MET 50 -3.283 2.202 11.643 386 HG2 MET 50 HG2 MET 50 -3.738 2.660 9.279 387 HG3 MET 50 HG3 MET 50 -2.657 1.347 8.820 388 HE1 MET 50 HE1 MET 50 -4.555 -1.770 10.280 389 HE2 MET 50 HE2 MET 50 -3.313 -0.809 11.086 390 HE3 MET 50 HE3 MET 50 -3.140 -1.224 9.379 391 H SER 51 H SER 51 0.448 1.552 11.920 392 HA SER 51 HA SER 51 0.133 2.770 14.556 393 HB2 SER 51 HB2 SER 51 1.921 0.504 13.627 394 HB3 SER 51 HB3 SER 51 1.772 1.053 15.297 395 HG SER 51 HG SER 51 0.052 -0.129 15.457 396 H ASN 52 H ASN 52 1.830 3.602 11.842 397 HA ASN 52 HA ASN 52 4.094 4.714 13.380 398 HB2 ASN 52 HB2 ASN 52 3.775 4.115 10.441 399 HB3 ASN 52 HB3 ASN 52 5.058 5.162 11.037 400 HD21 ASN 52 HD21 ASN 52 3.822 2.286 12.649 401 HD22 ASN 52 HD22 ASN 52 5.280 1.377 12.516 402 H TYR 53 H TYR 53 1.954 5.707 10.672 403 HA TYR 53 HA TYR 53 2.725 8.484 11.085 404 HB2 TYR 53 HB2 TYR 53 0.877 7.261 9.023 405 HB3 TYR 53 HB3 TYR 53 1.451 8.923 9.028 406 HD1 TYR 53 HD1 TYR 53 3.884 9.383 8.645 407 HD2 TYR 53 HD2 TYR 53 2.215 5.498 8.134 408 HE1 TYR 53 HE1 TYR 53 5.844 8.719 7.318 409 HE2 TYR 53 HE2 TYR 53 4.173 4.825 6.806 410 HH TYR 53 HH TYR 53 5.934 5.846 5.477 411 H THR 54 H THR 54 0.877 10.137 10.731 412 HA THR 54 HA THR 54 -1.524 9.412 12.300 413 HB THR 54 HB THR 54 -1.530 11.687 13.281 414 HG1 THR 54 HG1 THR 54 -0.053 13.139 12.730 415 HG21 THR 54 HG21 THR 54 -0.513 9.828 14.536 416 HG22 THR 54 HG22 THR 54 0.291 11.361 14.874 417 HG23 THR 54 HG23 THR 54 1.046 10.188 13.795 418 H ASP 55 H ASP 55 -0.116 11.401 9.761 419 HA ASP 55 HA ASP 55 -2.338 12.919 9.009 420 HB2 ASP 55 HB2 ASP 55 -0.189 13.480 8.121 421 HB3 ASP 55 HB3 ASP 55 0.018 11.877 7.425 422 H HIS 56 H HIS 56 -3.760 12.684 7.146 423 HA HIS 56 HA HIS 56 -5.085 10.190 7.054 424 HB2 HIS 56 HB2 HIS 56 -5.291 12.601 5.241 425 HB3 HIS 56 HB3 HIS 56 -6.324 11.185 5.083 426 HD1 HIS 56 HD1 HIS 56 -8.082 10.790 6.968 427 HD2 HIS 56 HD2 HIS 56 -5.953 14.339 7.312 428 HE1 HIS 56 HE1 HIS 56 -9.358 12.177 8.621 429 HE2 HIS 56 HE2 HIS 56 -8.145 14.376 8.686 430 H GLN 57 H GLN 57 -3.377 11.826 4.347 431 HA GLN 57 HA GLN 57 -3.641 9.602 2.632 432 HB2 GLN 57 HB2 GLN 57 -1.825 12.005 2.477 433 HB3 GLN 57 HB3 GLN 57 -2.000 10.826 1.184 434 HG2 GLN 57 HG2 GLN 57 -4.212 12.531 2.321 435 HG3 GLN 57 HG3 GLN 57 -3.374 12.803 0.793 436 HE21 GLN 57 HE21 GLN 57 -5.672 10.807 2.479 437 HE22 GLN 57 HE22 GLN 57 -6.296 9.996 1.086 438 H LEU 58 H LEU 58 -1.025 10.482 4.842 439 HA LEU 58 HA LEU 58 0.919 8.706 3.811 440 HB2 LEU 58 HB2 LEU 58 0.531 9.759 6.613 441 HB3 LEU 58 HB3 LEU 58 1.931 8.831 6.109 442 HG LEU 58 HG LEU 58 1.116 11.552 5.063 443 HD11 LEU 58 HD11 LEU 58 3.177 12.325 6.121 444 HD12 LEU 58 HD12 LEU 58 3.489 10.698 6.731 445 HD13 LEU 58 HD13 LEU 58 2.087 11.605 7.307 446 HD21 LEU 58 HD21 LEU 58 2.104 10.204 3.277 447 HD22 LEU 58 HD22 LEU 58 3.486 9.837 4.310 448 HD23 LEU 58 HD23 LEU 58 3.199 11.491 3.776 449 H ILE 59 H ILE 59 -1.951 8.070 5.591 450 HA ILE 59 HA ILE 59 -1.118 5.262 6.031 451 HB ILE 59 HB ILE 59 -3.327 6.838 7.385 452 HG12 ILE 59 HG12 ILE 59 -0.712 5.737 8.465 453 HG13 ILE 59 HG13 ILE 59 -1.070 7.435 8.172 454 HG21 ILE 59 HG21 ILE 59 -3.994 4.516 7.083 455 HG22 ILE 59 HG22 ILE 59 -3.660 4.842 8.783 456 HG23 ILE 59 HG23 ILE 59 -2.482 3.966 7.804 457 HD11 ILE 59 HD11 ILE 59 -2.461 5.668 10.173 458 HD12 ILE 59 HD12 ILE 59 -2.790 7.378 9.894 459 HD13 ILE 59 HD13 ILE 59 -1.224 6.873 10.531 460 H GLU 60 H GLU 60 -4.023 7.170 5.293 461 HA GLU 60 HA GLU 60 -5.761 5.312 4.367 462 HB2 GLU 60 HB2 GLU 60 -6.223 7.739 4.619 463 HB3 GLU 60 HB3 GLU 60 -5.324 8.046 3.139 464 HG2 GLU 60 HG2 GLU 60 -6.964 6.696 1.887 465 HG3 GLU 60 HG3 GLU 60 -7.879 6.451 3.375 466 H THR 61 H THR 61 -3.271 6.915 2.333 467 HA THR 61 HA THR 61 -3.902 5.803 -0.123 468 HB THR 61 HB THR 61 -1.125 6.373 0.950 469 HG1 THR 61 HG1 THR 61 -1.750 8.368 0.703 470 HG21 THR 61 HG21 THR 61 -1.002 4.913 -1.008 471 HG22 THR 61 HG22 THR 61 -0.454 6.538 -1.417 472 HG23 THR 61 HG23 THR 61 -2.064 6.000 -1.904 473 H THR 62 H THR 62 -1.484 4.493 2.162 474 HA THR 62 HA THR 62 -0.991 2.113 0.732 475 HB THR 62 HB THR 62 -0.628 2.573 3.709 476 HG1 THR 62 HG1 THR 62 1.360 3.389 3.187 477 HG21 THR 62 HG21 THR 62 1.131 0.855 3.512 478 HG22 THR 62 HG22 THR 62 0.693 0.611 1.821 479 HG23 THR 62 HG23 THR 62 -0.458 0.211 3.097 480 H ASN 63 H ASN 63 -2.995 2.647 3.645 481 HA ASN 63 HA ASN 63 -3.893 0.026 4.003 482 HB2 ASN 63 HB2 ASN 63 -4.155 1.782 5.688 483 HB3 ASN 63 HB3 ASN 63 -5.300 2.630 4.655 484 HD21 ASN 63 HD21 ASN 63 -7.402 1.886 4.511 485 HD22 ASN 63 HD22 ASN 63 -8.031 0.669 5.563 486 H ARG 64 H ARG 64 -5.422 2.666 2.172 487 HA ARG 64 HA ARG 64 -7.686 1.184 1.315 488 HB2 ARG 64 HB2 ARG 64 -7.577 3.662 1.387 489 HB3 ARG 64 HB3 ARG 64 -6.423 3.638 0.062 490 HG2 ARG 64 HG2 ARG 64 -8.138 2.631 -1.394 491 HG3 ARG 64 HG3 ARG 64 -9.291 2.706 -0.058 492 HD2 ARG 64 HD2 ARG 64 -9.068 5.140 0.006 493 HD3 ARG 64 HD3 ARG 64 -7.884 5.076 -1.298 494 HE ARG 64 HE ARG 64 -10.654 4.152 -1.694 495 HH11 ARG 64 HH11 ARG 64 -7.944 6.040 -2.672 496 HH12 ARG 64 HH12 ARG 64 -8.759 6.703 -4.045 497 HH21 ARG 64 HH21 ARG 64 -11.682 4.982 -3.472 498 HH22 ARG 64 HH22 ARG 64 -10.846 6.082 -4.512 499 H ALA 65 H ALA 65 -4.603 1.992 -0.304 500 HA ALA 65 HA ALA 65 -5.108 0.830 -2.788 501 HB1 ALA 65 HB1 ALA 65 -2.694 0.757 -3.097 502 HB2 ALA 65 HB2 ALA 65 -2.453 0.994 -1.365 503 HB3 ALA 65 HB3 ALA 65 -3.180 2.272 -2.337 504 H ILE 66 H ILE 66 -3.552 -0.678 0.061 505 HA ILE 66 HA ILE 66 -3.183 -3.230 -1.047 506 HB ILE 66 HB ILE 66 -3.666 -2.485 1.851 507 HG12 ILE 66 HG12 ILE 66 -1.112 -2.923 0.269 508 HG13 ILE 66 HG13 ILE 66 -1.704 -1.385 0.881 509 HG21 ILE 66 HG21 ILE 66 -4.111 -4.861 1.492 510 HG22 ILE 66 HG22 ILE 66 -2.623 -4.639 2.411 511 HG23 ILE 66 HG23 ILE 66 -2.550 -5.050 0.697 512 HD11 ILE 66 HD11 ILE 66 0.091 -2.230 2.260 513 HD12 ILE 66 HD12 ILE 66 -0.800 -3.724 2.543 514 HD13 ILE 66 HD13 ILE 66 -1.418 -2.197 3.171 515 H SER 67 H SER 67 -6.012 -1.803 0.537 516 HA SER 67 HA SER 67 -7.631 -4.121 0.579 517 HB2 SER 67 HB2 SER 67 -8.240 -2.072 1.805 518 HB3 SER 67 HB3 SER 67 -8.502 -1.228 0.279 519 HG SER 67 HG SER 67 -10.486 -1.919 0.815 520 H LEU 68 H LEU 68 -7.248 -1.579 -1.892 521 HA LEU 68 HA LEU 68 -9.016 -2.677 -3.795 522 HB2 LEU 68 HB2 LEU 68 -6.732 -0.750 -3.937 523 HB3 LEU 68 HB3 LEU 68 -7.377 -1.396 -5.433 524 HG LEU 68 HG LEU 68 -8.361 0.786 -4.906 525 HD11 LEU 68 HD11 LEU 68 -9.692 -0.837 -6.159 526 HD12 LEU 68 HD12 LEU 68 -10.714 0.187 -5.150 527 HD13 LEU 68 HD13 LEU 68 -10.358 -1.466 -4.652 528 HD21 LEU 68 HD21 LEU 68 -9.858 1.071 -2.992 529 HD22 LEU 68 HD22 LEU 68 -8.216 0.711 -2.468 530 HD23 LEU 68 HD23 LEU 68 -9.452 -0.546 -2.421 531 H TYR 69 H TYR 69 -5.593 -3.332 -3.136 532 HA TYR 69 HA TYR 69 -5.141 -5.072 -5.316 533 HB2 TYR 69 HB2 TYR 69 -3.864 -4.783 -2.605 534 HB3 TYR 69 HB3 TYR 69 -3.426 -6.135 -3.639 535 HD1 TYR 69 HD1 TYR 69 -2.689 -5.527 -6.068 536 HD2 TYR 69 HD2 TYR 69 -2.701 -2.754 -2.831 537 HE1 TYR 69 HE1 TYR 69 -1.063 -4.130 -7.267 538 HE2 TYR 69 HE2 TYR 69 -1.076 -1.348 -4.029 539 HH TYR 69 HH TYR 69 -0.353 -1.735 -7.300 540 H MET 70 H MET 70 -6.333 -5.727 -2.020 541 HA MET 70 HA MET 70 -6.655 -8.498 -2.214 542 HB2 MET 70 HB2 MET 70 -8.346 -6.492 -0.701 543 HB3 MET 70 HB3 MET 70 -8.404 -8.230 -0.455 544 HG2 MET 70 HG2 MET 70 -6.106 -8.237 0.308 545 HG3 MET 70 HG3 MET 70 -5.970 -6.511 -0.025 546 HE1 MET 70 HE1 MET 70 -5.267 -7.926 2.804 547 HE2 MET 70 HE2 MET 70 -5.936 -6.733 3.916 548 HE3 MET 70 HE3 MET 70 -5.048 -6.204 2.487 549 H ALA 71 H ALA 71 -8.968 -5.915 -3.028 550 HA ALA 71 HA ALA 71 -11.060 -7.617 -3.891 551 HB1 ALA 71 HB1 ALA 71 -11.441 -5.292 -3.244 552 HB2 ALA 71 HB2 ALA 71 -12.039 -5.601 -4.877 553 HB3 ALA 71 HB3 ALA 71 -10.517 -4.742 -4.642 554 H ASN 72 H ASN 72 -8.705 -5.728 -5.790 555 HA ASN 72 HA ASN 72 -9.546 -6.531 -8.334 556 HB2 ASN 72 HB2 ASN 72 -8.094 -4.597 -7.961 557 HB3 ASN 72 HB3 ASN 72 -6.793 -5.653 -7.425 558 HD21 ASN 72 HD21 ASN 72 -5.411 -4.913 -9.028 559 HD22 ASN 72 HD22 ASN 72 -5.611 -5.333 -10.688 560 H LEU 73 H LEU 73 -6.984 -7.916 -6.273 561 HA LEU 73 HA LEU 73 -5.948 -9.759 -8.092 562 HB2 LEU 73 HB2 LEU 73 -5.015 -9.102 -5.831 563 HB3 LEU 73 HB3 LEU 73 -6.184 -10.178 -5.104 564 HG LEU 73 HG LEU 73 -3.833 -11.081 -5.320 565 HD11 LEU 73 HD11 LEU 73 -5.769 -12.554 -4.962 566 HD12 LEU 73 HD12 LEU 73 -4.509 -13.318 -5.927 567 HD13 LEU 73 HD13 LEU 73 -5.963 -12.702 -6.711 568 HD21 LEU 73 HD21 LEU 73 -3.327 -10.183 -7.533 569 HD22 LEU 73 HD22 LEU 73 -4.558 -11.226 -8.249 570 HD23 LEU 73 HD23 LEU 73 -3.128 -11.931 -7.496 571 H GLU 74 H GLU 74 -8.426 -10.362 -5.571 572 HA GLU 74 HA GLU 74 -8.914 -13.026 -6.383 573 HB2 GLU 74 HB2 GLU 74 -10.610 -11.149 -4.734 574 HB3 GLU 74 HB3 GLU 74 -10.941 -12.865 -4.933 575 HG2 GLU 74 HG2 GLU 74 -8.491 -11.649 -3.661 576 HG3 GLU 74 HG3 GLU 74 -9.827 -12.436 -2.824 577 H HIS 75 H HIS 75 -10.389 -9.979 -7.393 578 HA HIS 75 HA HIS 75 -12.588 -11.239 -8.754 579 HB2 HIS 75 HB2 HIS 75 -12.588 -8.852 -7.921 580 HB3 HIS 75 HB3 HIS 75 -11.511 -8.455 -9.257 581 HD1 HIS 75 HD1 HIS 75 -12.624 -7.887 -11.449 582 HD2 HIS 75 HD2 HIS 75 -15.195 -9.816 -8.808 583 HE1 HIS 75 HE1 HIS 75 -14.873 -7.874 -12.562 584 HE2 HIS 75 HE2 HIS 75 -16.433 -8.912 -10.886 585 H HIS 76 H HIS 76 -9.381 -10.114 -9.680 586 HA HIS 76 HA HIS 76 -9.677 -10.557 -12.482 587 HB2 HIS 76 HB2 HIS 76 -7.948 -9.060 -11.525 588 HB3 HIS 76 HB3 HIS 76 -7.150 -10.452 -10.805 589 HD1 HIS 76 HD1 HIS 76 -5.496 -11.684 -12.244 590 HD2 HIS 76 HD2 HIS 76 -7.830 -9.025 -14.425 591 HE1 HIS 76 HE1 HIS 76 -4.479 -11.621 -14.532 592 HE2 HIS 76 HE2 HIS 76 -5.790 -9.876 -15.772 593 H HIS 77 H HIS 77 -8.446 -12.489 -9.789 594 HA HIS 77 HA HIS 77 -7.799 -14.771 -11.416 595 HB2 HIS 77 HB2 HIS 77 -6.661 -14.227 -9.257 596 HB3 HIS 77 HB3 HIS 77 -8.155 -14.611 -8.411 597 HD1 HIS 77 HD1 HIS 77 -7.890 -16.801 -7.316 598 HD2 HIS 77 HD2 HIS 77 -6.073 -16.735 -11.051 599 HE1 HIS 77 HE1 HIS 77 -6.974 -19.112 -7.658 600 HE2 HIS 77 HE2 HIS 77 -6.002 -19.086 -9.975 601 H HIS 78 H HIS 78 -10.665 -13.495 -10.171 602 HA HIS 78 HA HIS 78 -12.833 -14.082 -10.380 603 HB2 HIS 78 HB2 HIS 78 -12.171 -14.762 -12.648 604 HB3 HIS 78 HB3 HIS 78 -11.780 -16.370 -12.052 605 HD1 HIS 78 HD1 HIS 78 -13.719 -17.987 -11.643 606 HD2 HIS 78 HD2 HIS 78 -14.948 -14.203 -12.838 607 HE1 HIS 78 HE1 HIS 78 -16.160 -18.214 -12.189 608 HE2 HIS 78 HE2 HIS 78 -16.911 -15.885 -12.756 609 H HIS 79 H HIS 79 -13.331 -14.543 -8.273 610 HA HIS 79 HA HIS 79 -14.111 -17.283 -7.785 611 HB2 HIS 79 HB2 HIS 79 -11.921 -16.007 -6.200 612 HB3 HIS 79 HB3 HIS 79 -13.083 -17.003 -5.337 613 HD1 HIS 79 HD1 HIS 79 -9.888 -17.366 -6.510 614 HD2 HIS 79 HD2 HIS 79 -13.332 -19.592 -7.149 615 HE1 HIS 79 HE1 HIS 79 -9.095 -19.649 -7.182 616 HE2 HIS 79 HE2 HIS 79 -11.188 -21.014 -7.432 617 H HIS 80 H HIS 80 -16.076 -17.285 -6.922 618 HA HIS 80 HA HIS 80 -17.099 -14.877 -5.606 619 HB2 HIS 80 HB2 HIS 80 -18.528 -15.825 -7.324 620 HB3 HIS 80 HB3 HIS 80 -18.492 -17.401 -6.543 621 HD1 HIS 80 HD1 HIS 80 -19.935 -13.937 -6.095 622 HD2 HIS 80 HD2 HIS 80 -20.345 -17.766 -4.527 623 HE1 HIS 80 HE1 HIS 80 -21.963 -13.851 -4.626 624 HE2 HIS 80 HE2 HIS 80 -22.054 -16.108 -3.522 Start of MODEL 3 1 H1 MET 1 H1 MET 1 16.948 -9.238 -4.286 2 H2 MET 1 H2 MET 1 18.178 -10.398 -4.251 3 H3 MET 1 H3 MET 1 17.871 -9.443 -2.888 4 HA MET 1 HA MET 1 17.003 -11.709 -2.649 5 HB2 MET 1 HB2 MET 1 14.884 -9.545 -2.803 6 HB3 MET 1 HB3 MET 1 14.734 -11.057 -1.917 7 HG2 MET 1 HG2 MET 1 15.249 -9.308 -0.376 8 HG3 MET 1 HG3 MET 1 16.651 -10.369 -0.506 9 HE1 MET 1 HE1 MET 1 16.346 -6.160 -2.380 10 HE2 MET 1 HE2 MET 1 15.103 -6.894 -1.367 11 HE3 MET 1 HE3 MET 1 15.404 -7.523 -2.987 12 H ALA 2 H ALA 2 15.784 -13.410 -3.442 13 HA ALA 2 HA ALA 2 15.085 -13.358 -6.231 14 HB1 ALA 2 HB1 ALA 2 16.049 -15.357 -5.175 15 HB2 ALA 2 HB2 ALA 2 14.497 -15.701 -5.938 16 HB3 ALA 2 HB3 ALA 2 14.598 -15.531 -4.186 17 H GLY 3 H GLY 3 13.442 -11.795 -6.383 18 HA2 GLY 3 HA2 GLY 3 10.914 -12.278 -6.776 19 HA3 GLY 3 HA3 GLY 3 10.883 -12.360 -5.021 20 H ASP 4 H ASP 4 9.272 -10.556 -5.355 21 HA ASP 4 HA ASP 4 10.710 -8.045 -5.008 22 HB2 ASP 4 HB2 ASP 4 10.093 -8.232 -7.456 23 HB3 ASP 4 HB3 ASP 4 8.404 -8.154 -6.960 24 HA PRO 5 HA PRO 5 7.277 -7.901 -1.993 25 HB2 PRO 5 HB2 PRO 5 9.223 -6.517 -0.309 26 HB3 PRO 5 HB3 PRO 5 8.400 -8.050 -0.016 27 HG2 PRO 5 HG2 PRO 5 11.063 -7.896 -0.512 28 HG3 PRO 5 HG3 PRO 5 10.077 -9.291 -0.992 29 HD2 PRO 5 HD2 PRO 5 10.987 -6.956 -2.663 30 HD3 PRO 5 HD3 PRO 5 11.015 -8.693 -3.051 31 H MET 6 H MET 6 9.075 -5.699 -3.798 32 HA MET 6 HA MET 6 8.198 -3.255 -2.524 33 HB2 MET 6 HB2 MET 6 9.582 -3.667 -5.182 34 HB3 MET 6 HB3 MET 6 9.389 -2.132 -4.345 35 HG2 MET 6 HG2 MET 6 10.778 -2.957 -2.511 36 HG3 MET 6 HG3 MET 6 10.963 -4.498 -3.346 37 HE1 MET 6 HE1 MET 6 12.713 -0.484 -4.824 38 HE2 MET 6 HE2 MET 6 11.799 -0.681 -3.329 39 HE3 MET 6 HE3 MET 6 10.983 -0.822 -4.887 40 H THR 7 H THR 7 6.550 -5.412 -4.326 41 HA THR 7 HA THR 7 5.206 -4.152 -6.347 42 HB THR 7 HB THR 7 3.184 -5.547 -5.673 43 HG1 THR 7 HG1 THR 7 4.777 -6.943 -3.866 44 HG21 THR 7 HG21 THR 7 5.858 -6.955 -5.875 45 HG22 THR 7 HG22 THR 7 4.889 -6.380 -7.235 46 HG23 THR 7 HG23 THR 7 4.283 -7.678 -6.204 47 H PHE 8 H PHE 8 4.549 -3.757 -2.870 48 HA PHE 8 HA PHE 8 2.300 -2.110 -3.012 49 HB2 PHE 8 HB2 PHE 8 2.997 -2.873 -0.859 50 HB3 PHE 8 HB3 PHE 8 4.606 -2.191 -1.057 51 HD1 PHE 8 HD1 PHE 8 1.043 -1.070 -0.983 52 HD2 PHE 8 HD2 PHE 8 5.085 -0.226 0.058 53 HE1 PHE 8 HE1 PHE 8 0.314 0.973 0.177 54 HE2 PHE 8 HE2 PHE 8 4.364 1.819 1.217 55 HZ PHE 8 HZ PHE 8 1.976 2.420 1.278 56 H TYR 9 H TYR 9 5.734 -1.188 -3.055 57 HA TYR 9 HA TYR 9 5.309 1.589 -3.397 58 HB2 TYR 9 HB2 TYR 9 7.430 0.595 -2.575 59 HB3 TYR 9 HB3 TYR 9 7.723 -0.073 -4.175 60 HD1 TYR 9 HD1 TYR 9 6.874 3.256 -2.679 61 HD2 TYR 9 HD2 TYR 9 9.257 1.095 -5.470 62 HE1 TYR 9 HE1 TYR 9 8.008 5.339 -3.315 63 HE2 TYR 9 HE2 TYR 9 10.396 3.177 -6.113 64 HH TYR 9 HH TYR 9 10.180 6.031 -4.320 65 H ASN 10 H ASN 10 5.852 -1.056 -5.690 66 HA ASN 10 HA ASN 10 6.032 0.366 -8.075 67 HB2 ASN 10 HB2 ASN 10 6.441 -2.056 -7.863 68 HB3 ASN 10 HB3 ASN 10 4.720 -2.325 -7.608 69 HD21 ASN 10 HD21 ASN 10 4.396 -3.589 -9.397 70 HD22 ASN 10 HD22 ASN 10 4.526 -2.997 -11.014 71 H PHE 11 H PHE 11 3.162 -0.602 -6.253 72 HA PHE 11 HA PHE 11 1.222 0.069 -8.183 73 HB2 PHE 11 HB2 PHE 11 0.803 -1.308 -6.145 74 HB3 PHE 11 HB3 PHE 11 0.923 0.152 -5.169 75 HD1 PHE 11 HD1 PHE 11 -1.114 -1.677 -7.614 76 HD2 PHE 11 HD2 PHE 11 -0.877 1.768 -5.121 77 HE1 PHE 11 HE1 PHE 11 -3.517 -1.271 -7.956 78 HE2 PHE 11 HE2 PHE 11 -3.280 2.180 -5.456 79 HZ PHE 11 HZ PHE 11 -4.604 0.659 -6.875 80 H ILE 12 H ILE 12 2.315 1.970 -5.343 81 HA ILE 12 HA ILE 12 0.820 4.276 -6.016 82 HB ILE 12 HB ILE 12 1.577 3.893 -3.740 83 HG12 ILE 12 HG12 ILE 12 2.388 6.171 -3.210 84 HG13 ILE 12 HG13 ILE 12 2.781 6.426 -4.907 85 HG21 ILE 12 HG21 ILE 12 3.727 2.854 -4.174 86 HG22 ILE 12 HG22 ILE 12 3.919 4.228 -3.082 87 HG23 ILE 12 HG23 ILE 12 4.367 4.382 -4.781 88 HD11 ILE 12 HD11 ILE 12 0.693 7.515 -4.259 89 HD12 ILE 12 HD12 ILE 12 0.016 5.950 -3.809 90 HD13 ILE 12 HD13 ILE 12 0.430 6.282 -5.493 91 H MET 13 H MET 13 4.017 3.213 -7.008 92 HA MET 13 HA MET 13 5.025 5.605 -8.068 93 HB2 MET 13 HB2 MET 13 5.403 2.747 -8.980 94 HB3 MET 13 HB3 MET 13 6.278 4.101 -9.684 95 HG2 MET 13 HG2 MET 13 7.295 4.601 -7.549 96 HG3 MET 13 HG3 MET 13 6.363 3.320 -6.776 97 HE1 MET 13 HE1 MET 13 9.686 2.599 -9.900 98 HE2 MET 13 HE2 MET 13 9.234 4.191 -9.291 99 HE3 MET 13 HE3 MET 13 8.118 3.289 -10.317 100 H GLY 14 H GLY 14 2.491 3.524 -9.247 101 HA2 GLY 14 HA2 GLY 14 2.417 4.453 -11.940 102 HA3 GLY 14 HA3 GLY 14 1.114 3.643 -11.087 103 H PHE 15 H PHE 15 1.466 5.927 -9.003 104 HA PHE 15 HA PHE 15 -0.144 7.942 -10.459 105 HB2 PHE 15 HB2 PHE 15 -0.295 7.248 -7.510 106 HB3 PHE 15 HB3 PHE 15 -1.339 8.370 -8.377 107 HD1 PHE 15 HD1 PHE 15 -2.945 7.490 -10.080 108 HD2 PHE 15 HD2 PHE 15 -0.723 4.914 -7.510 109 HE1 PHE 15 HE1 PHE 15 -4.504 5.653 -10.573 110 HE2 PHE 15 HE2 PHE 15 -2.280 3.074 -8.002 111 HZ PHE 15 HZ PHE 15 -4.174 3.442 -9.533 112 H GLN 16 H GLN 16 2.863 7.637 -9.669 113 HA GLN 16 HA GLN 16 3.319 9.800 -7.804 114 HB2 GLN 16 HB2 GLN 16 4.729 7.801 -7.753 115 HB3 GLN 16 HB3 GLN 16 5.250 8.106 -9.403 116 HG2 GLN 16 HG2 GLN 16 6.993 8.784 -7.923 117 HG3 GLN 16 HG3 GLN 16 6.281 10.232 -8.628 118 HE21 GLN 16 HE21 GLN 16 5.037 11.601 -7.294 119 HE22 GLN 16 HE22 GLN 16 5.132 11.504 -5.572 120 H ASN 17 H ASN 17 3.037 9.586 -11.231 121 HA ASN 17 HA ASN 17 4.955 11.660 -11.862 122 HB2 ASN 17 HB2 ASN 17 4.177 9.604 -13.295 123 HB3 ASN 17 HB3 ASN 17 2.865 10.665 -13.783 124 HD21 ASN 17 HD21 ASN 17 4.481 13.086 -13.759 125 HD22 ASN 17 HD22 ASN 17 5.533 12.977 -15.119 126 H ASP 18 H ASP 18 2.909 12.532 -10.039 127 HA ASP 18 HA ASP 18 2.142 14.966 -11.350 128 HB2 ASP 18 HB2 ASP 18 0.313 13.344 -12.009 129 HB3 ASP 18 HB3 ASP 18 -0.104 13.217 -10.302 130 H ASN 19 H ASN 19 1.760 16.631 -9.850 131 HA ASN 19 HA ASN 19 2.716 16.244 -7.212 132 HB2 ASN 19 HB2 ASN 19 1.173 18.581 -8.368 133 HB3 ASN 19 HB3 ASN 19 1.978 18.583 -6.801 134 HD21 ASN 19 HD21 ASN 19 2.386 18.780 -10.216 135 HD22 ASN 19 HD22 ASN 19 4.068 19.186 -10.189 136 H THR 20 H THR 20 1.505 14.642 -6.226 137 HA THR 20 HA THR 20 -1.242 15.399 -5.426 138 HB THR 20 HB THR 20 -1.832 13.039 -5.284 139 HG1 THR 20 HG1 THR 20 0.282 11.938 -6.565 140 HG21 THR 20 HG21 THR 20 -2.159 14.104 -7.463 141 HG22 THR 20 HG22 THR 20 -1.718 12.406 -7.663 142 HG23 THR 20 HG23 THR 20 -0.517 13.668 -7.936 143 HA PRO 21 HA PRO 21 0.331 15.307 -1.191 144 HB2 PRO 21 HB2 PRO 21 -2.513 14.643 -0.586 145 HB3 PRO 21 HB3 PRO 21 -1.486 15.915 0.085 146 HG2 PRO 21 HG2 PRO 21 -3.397 16.510 -1.670 147 HG3 PRO 21 HG3 PRO 21 -1.826 17.334 -1.724 148 HD2 PRO 21 HD2 PRO 21 -2.876 15.134 -3.472 149 HD3 PRO 21 HD3 PRO 21 -1.897 16.550 -3.910 150 H PHE 22 H PHE 22 -1.454 12.790 -2.788 151 HA PHE 22 HA PHE 22 -1.063 10.791 -0.741 152 HB2 PHE 22 HB2 PHE 22 -2.004 10.526 -3.612 153 HB3 PHE 22 HB3 PHE 22 -2.078 9.257 -2.392 154 HD1 PHE 22 HD1 PHE 22 -3.462 12.496 -3.452 155 HD2 PHE 22 HD2 PHE 22 -3.774 9.272 -0.685 156 HE1 PHE 22 HE1 PHE 22 -5.673 13.318 -2.745 157 HE2 PHE 22 HE2 PHE 22 -5.980 10.092 0.025 158 HZ PHE 22 HZ PHE 22 -6.933 12.117 -1.007 159 H GLY 23 H GLY 23 0.375 11.535 -3.921 160 HA2 GLY 23 HA2 GLY 23 2.096 9.336 -4.149 161 HA3 GLY 23 HA3 GLY 23 2.374 10.912 -4.875 162 H ILE 24 H ILE 24 2.337 12.119 -2.097 163 HA ILE 24 HA ILE 24 5.052 12.210 -1.519 164 HB ILE 24 HB ILE 24 2.743 12.662 0.392 165 HG12 ILE 24 HG12 ILE 24 4.273 14.594 -1.382 166 HG13 ILE 24 HG13 ILE 24 2.613 14.063 -1.634 167 HG21 ILE 24 HG21 ILE 24 4.321 14.054 1.665 168 HG22 ILE 24 HG22 ILE 24 5.615 13.594 0.558 169 HG23 ILE 24 HG23 ILE 24 4.859 12.376 1.584 170 HD11 ILE 24 HD11 ILE 24 2.668 16.283 -0.679 171 HD12 ILE 24 HD12 ILE 24 3.627 15.700 0.683 172 HD13 ILE 24 HD13 ILE 24 1.967 15.142 0.469 173 H LEU 25 H LEU 25 2.676 9.831 -0.574 174 HA LEU 25 HA LEU 25 4.028 8.545 1.517 175 HB2 LEU 25 HB2 LEU 25 1.692 8.087 0.784 176 HB3 LEU 25 HB3 LEU 25 2.314 7.288 -0.642 177 HG LEU 25 HG LEU 25 1.502 5.806 1.271 178 HD11 LEU 25 HD11 LEU 25 4.326 5.358 0.304 179 HD12 LEU 25 HD12 LEU 25 2.856 4.944 -0.578 180 HD13 LEU 25 HD13 LEU 25 3.227 4.133 0.941 181 HD21 LEU 25 HD21 LEU 25 3.041 5.383 3.101 182 HD22 LEU 25 HD22 LEU 25 2.531 7.069 3.106 183 HD23 LEU 25 HD23 LEU 25 4.134 6.634 2.509 184 H ALA 26 H ALA 26 4.196 7.913 -1.997 185 HA ALA 26 HA ALA 26 6.159 5.906 -1.925 186 HB1 ALA 26 HB1 ALA 26 5.570 7.911 -4.102 187 HB2 ALA 26 HB2 ALA 26 4.820 6.328 -3.912 188 HB3 ALA 26 HB3 ALA 26 6.537 6.450 -4.300 189 H GLU 27 H GLU 27 6.451 9.426 -2.208 190 HA GLU 27 HA GLU 27 9.236 9.638 -2.419 191 HB2 GLU 27 HB2 GLU 27 7.842 11.562 -2.784 192 HB3 GLU 27 HB3 GLU 27 7.183 11.464 -1.155 193 HG2 GLU 27 HG2 GLU 27 9.438 11.980 -0.260 194 HG3 GLU 27 HG3 GLU 27 10.009 12.193 -1.915 195 H HIS 28 H HIS 28 7.182 9.628 0.492 196 HA HIS 28 HA HIS 28 9.248 10.144 2.329 197 HB2 HIS 28 HB2 HIS 28 6.695 10.372 2.621 198 HB3 HIS 28 HB3 HIS 28 6.717 8.660 3.034 199 HD1 HIS 28 HD1 HIS 28 7.559 12.027 4.335 200 HD2 HIS 28 HD2 HIS 28 7.982 8.070 5.530 201 HE1 HIS 28 HE1 HIS 28 8.160 12.125 6.768 202 HE2 HIS 28 HE2 HIS 28 8.581 9.731 7.422 203 H VAL 29 H VAL 29 7.755 7.040 1.330 204 HA VAL 29 HA VAL 29 9.348 5.430 3.047 205 HB VAL 29 HB VAL 29 8.695 3.516 1.671 206 HG11 VAL 29 HG11 VAL 29 6.257 3.702 1.926 207 HG12 VAL 29 HG12 VAL 29 6.415 5.445 2.145 208 HG13 VAL 29 HG13 VAL 29 7.113 4.340 3.330 209 HG21 VAL 29 HG21 VAL 29 7.543 5.568 -0.229 210 HG22 VAL 29 HG22 VAL 29 7.255 3.830 -0.321 211 HG23 VAL 29 HG23 VAL 29 8.882 4.469 -0.552 212 H SER 30 H SER 30 9.894 6.762 -0.154 213 HA SER 30 HA SER 30 12.329 5.359 -0.698 214 HB2 SER 30 HB2 SER 30 11.110 6.394 -2.532 215 HB3 SER 30 HB3 SER 30 11.260 7.983 -1.784 216 HG SER 30 HG SER 30 13.696 6.843 -2.080 217 H GLU 31 H GLU 31 11.519 8.374 0.920 218 HA GLU 31 HA GLU 31 14.116 9.378 1.332 219 HB2 GLU 31 HB2 GLU 31 12.172 10.770 1.715 220 HB3 GLU 31 HB3 GLU 31 11.583 9.678 2.963 221 HG2 GLU 31 HG2 GLU 31 13.597 10.240 4.318 222 HG3 GLU 31 HG3 GLU 31 14.033 11.432 3.092 223 H ASP 32 H ASP 32 12.094 7.225 3.305 224 HA ASP 32 HA ASP 32 13.917 6.805 5.396 225 HB2 ASP 32 HB2 ASP 32 11.597 6.172 5.633 226 HB3 ASP 32 HB3 ASP 32 11.727 5.025 4.303 227 H LYS 33 H LYS 33 13.107 4.111 3.224 228 HA LYS 33 HA LYS 33 15.886 3.736 2.441 229 HB2 LYS 33 HB2 LYS 33 14.441 1.650 4.107 230 HB3 LYS 33 HB3 LYS 33 15.946 1.369 3.242 231 HG2 LYS 33 HG2 LYS 33 16.943 3.245 4.620 232 HG3 LYS 33 HG3 LYS 33 15.475 3.192 5.593 233 HD2 LYS 33 HD2 LYS 33 17.234 1.884 6.648 234 HD3 LYS 33 HD3 LYS 33 15.924 0.823 6.121 235 HE2 LYS 33 HE2 LYS 33 17.181 0.034 4.269 236 HE3 LYS 33 HE3 LYS 33 18.379 1.315 4.441 237 HZ1 LYS 33 HZ1 LYS 33 19.088 0.320 6.525 238 HZ2 LYS 33 HZ2 LYS 33 19.222 -0.784 5.254 239 HZ3 LYS 33 HZ3 LYS 33 17.950 -0.917 6.355 240 H ALA 34 H ALA 34 12.640 2.272 2.474 241 HA ALA 34 HA ALA 34 11.366 1.288 0.872 242 HB1 ALA 34 HB1 ALA 34 11.755 1.789 -1.483 243 HB2 ALA 34 HB2 ALA 34 13.352 2.432 -1.099 244 HB3 ALA 34 HB3 ALA 34 11.906 3.247 -0.503 245 H PHE 35 H PHE 35 14.156 0.182 1.858 246 HA PHE 35 HA PHE 35 14.535 -1.972 -0.081 247 HB2 PHE 35 HB2 PHE 35 16.544 -0.846 0.749 248 HB3 PHE 35 HB3 PHE 35 16.097 -1.222 2.409 249 HD1 PHE 35 HD1 PHE 35 17.022 -2.789 -0.829 250 HD2 PHE 35 HD2 PHE 35 16.807 -3.227 3.401 251 HE1 PHE 35 HE1 PHE 35 18.282 -4.893 -0.988 252 HE2 PHE 35 HE2 PHE 35 18.068 -5.338 3.248 253 HZ PHE 35 HZ PHE 35 18.806 -6.173 1.052 254 HA PRO 36 HA PRO 36 11.830 -4.681 2.294 255 HB2 PRO 36 HB2 PRO 36 13.313 -6.791 0.806 256 HB3 PRO 36 HB3 PRO 36 11.573 -6.504 0.918 257 HG2 PRO 36 HG2 PRO 36 12.906 -5.896 -1.308 258 HG3 PRO 36 HG3 PRO 36 11.611 -4.838 -0.710 259 HD2 PRO 36 HD2 PRO 36 14.585 -4.500 -0.501 260 HD3 PRO 36 HD3 PRO 36 13.335 -3.285 -0.846 261 H ARG 37 H ARG 37 12.400 -4.828 4.388 262 HA ARG 37 HA ARG 37 14.933 -6.148 5.130 263 HB2 ARG 37 HB2 ARG 37 13.077 -4.320 6.668 264 HB3 ARG 37 HB3 ARG 37 14.488 -5.095 7.373 265 HG2 ARG 37 HG2 ARG 37 15.972 -3.741 6.250 266 HG3 ARG 37 HG3 ARG 37 14.862 -3.451 4.910 267 HD2 ARG 37 HD2 ARG 37 14.289 -2.376 7.661 268 HD3 ARG 37 HD3 ARG 37 15.353 -1.518 6.547 269 HE ARG 37 HE ARG 37 13.529 -1.044 5.183 270 HH11 ARG 37 HH11 ARG 37 12.551 -2.986 7.849 271 HH12 ARG 37 HH12 ARG 37 10.867 -2.784 7.506 272 HH21 ARG 37 HH21 ARG 37 11.371 -0.740 4.816 273 HH22 ARG 37 HH22 ARG 37 10.214 -1.529 5.834 274 H LEU 38 H LEU 38 11.447 -6.301 5.587 275 HA LEU 38 HA LEU 38 11.586 -9.016 6.580 276 HB2 LEU 38 HB2 LEU 38 12.025 -7.631 8.598 277 HB3 LEU 38 HB3 LEU 38 10.498 -6.812 8.359 278 HG LEU 38 HG LEU 38 10.600 -9.797 8.812 279 HD11 LEU 38 HD11 LEU 38 10.497 -7.652 10.937 280 HD12 LEU 38 HD12 LEU 38 11.826 -8.776 10.656 281 HD13 LEU 38 HD13 LEU 38 10.262 -9.380 11.203 282 HD21 LEU 38 HD21 LEU 38 8.476 -8.868 8.033 283 HD22 LEU 38 HD22 LEU 38 8.481 -7.710 9.363 284 HD23 LEU 38 HD23 LEU 38 8.342 -9.436 9.695 285 H GLU 39 H GLU 39 9.750 -6.194 5.704 286 HA GLU 39 HA GLU 39 7.184 -7.463 5.794 287 HB2 GLU 39 HB2 GLU 39 6.373 -5.317 4.769 288 HB3 GLU 39 HB3 GLU 39 7.204 -5.149 6.305 289 HG2 GLU 39 HG2 GLU 39 8.616 -4.719 3.681 290 HG3 GLU 39 HG3 GLU 39 7.709 -3.435 4.474 291 H GLU 40 H GLU 40 8.359 -9.184 4.232 292 HA GLU 40 HA GLU 40 7.964 -8.657 1.435 293 HB2 GLU 40 HB2 GLU 40 8.226 -11.087 1.143 294 HB3 GLU 40 HB3 GLU 40 9.491 -10.435 2.177 295 HG2 GLU 40 HG2 GLU 40 8.448 -11.295 4.139 296 HG3 GLU 40 HG3 GLU 40 6.998 -11.741 3.244 297 H ARG 41 H ARG 41 5.916 -9.234 4.029 298 HA ARG 41 HA ARG 41 3.759 -10.434 2.439 299 HB2 ARG 41 HB2 ARG 41 4.039 -10.029 5.433 300 HB3 ARG 41 HB3 ARG 41 2.711 -10.869 4.638 301 HG2 ARG 41 HG2 ARG 41 4.021 -12.696 4.072 302 HG3 ARG 41 HG3 ARG 41 5.524 -11.780 4.170 303 HD2 ARG 41 HD2 ARG 41 5.368 -13.345 6.013 304 HD3 ARG 41 HD3 ARG 41 5.296 -11.689 6.613 305 HE ARG 41 HE ARG 41 2.691 -12.370 6.375 306 HH11 ARG 41 HH11 ARG 41 5.390 -13.917 7.869 307 HH12 ARG 41 HH12 ARG 41 4.423 -14.621 9.119 308 HH21 ARG 41 HH21 ARG 41 1.473 -13.268 8.001 309 HH22 ARG 41 HH22 ARG 41 2.240 -14.267 9.187 310 H HIS 42 H HIS 42 2.308 -9.110 1.576 311 HA HIS 42 HA HIS 42 2.270 -6.335 1.886 312 HB2 HIS 42 HB2 HIS 42 -0.030 -8.054 0.920 313 HB3 HIS 42 HB3 HIS 42 0.261 -6.362 0.526 314 HD1 HIS 42 HD1 HIS 42 1.225 -9.814 -0.425 315 HD2 HIS 42 HD2 HIS 42 2.376 -5.925 -1.338 316 HE1 HIS 42 HE1 HIS 42 2.655 -10.001 -2.474 317 HE2 HIS 42 HE2 HIS 42 3.222 -7.633 -3.085 318 H GLN 43 H GLN 43 0.580 -8.791 3.681 319 HA GLN 43 HA GLN 43 -1.557 -7.400 4.779 320 HB2 GLN 43 HB2 GLN 43 -1.229 -9.820 5.002 321 HB3 GLN 43 HB3 GLN 43 0.144 -9.549 6.064 322 HG2 GLN 43 HG2 GLN 43 -1.355 -8.499 7.713 323 HG3 GLN 43 HG3 GLN 43 -2.724 -8.814 6.646 324 HE21 GLN 43 HE21 GLN 43 -2.248 -9.768 9.358 325 HE22 GLN 43 HE22 GLN 43 -2.283 -11.492 9.264 326 H VAL 44 H VAL 44 1.811 -7.530 5.936 327 HA VAL 44 HA VAL 44 1.206 -6.121 8.371 328 HB VAL 44 HB VAL 44 3.611 -6.124 8.806 329 HG11 VAL 44 HG11 VAL 44 3.966 -8.554 8.859 330 HG12 VAL 44 HG12 VAL 44 2.606 -8.772 7.756 331 HG13 VAL 44 HG13 VAL 44 2.336 -8.114 9.370 332 HG21 VAL 44 HG21 VAL 44 5.203 -7.117 7.242 333 HG22 VAL 44 HG22 VAL 44 4.420 -5.705 6.534 334 HG23 VAL 44 HG23 VAL 44 3.919 -7.325 6.053 335 H ILE 45 H ILE 45 2.006 -5.121 5.165 336 HA ILE 45 HA ILE 45 3.315 -2.687 5.588 337 HB ILE 45 HB ILE 45 1.279 -3.331 3.433 338 HG12 ILE 45 HG12 ILE 45 3.175 -4.918 3.490 339 HG13 ILE 45 HG13 ILE 45 3.209 -3.923 2.040 340 HG21 ILE 45 HG21 ILE 45 2.384 -1.555 2.129 341 HG22 ILE 45 HG22 ILE 45 3.384 -1.162 3.527 342 HG23 ILE 45 HG23 ILE 45 1.636 -0.932 3.600 343 HD11 ILE 45 HD11 ILE 45 4.898 -3.523 4.497 344 HD12 ILE 45 HD12 ILE 45 4.938 -2.523 3.045 345 HD13 ILE 45 HD13 ILE 45 5.428 -4.216 2.965 346 H ARG 46 H ARG 46 -0.175 -3.339 5.389 347 HA ARG 46 HA ARG 46 -1.140 -0.766 5.862 348 HB2 ARG 46 HB2 ARG 46 -2.633 -2.470 5.110 349 HB3 ARG 46 HB3 ARG 46 -2.283 -3.497 6.489 350 HG2 ARG 46 HG2 ARG 46 -3.503 -0.834 7.029 351 HG3 ARG 46 HG3 ARG 46 -4.520 -2.076 6.298 352 HD2 ARG 46 HD2 ARG 46 -3.966 -3.609 8.137 353 HD3 ARG 46 HD3 ARG 46 -2.953 -2.364 8.868 354 HE ARG 46 HE ARG 46 -5.457 -1.244 8.567 355 HH11 ARG 46 HH11 ARG 46 -4.119 -3.958 10.215 356 HH12 ARG 46 HH12 ARG 46 -5.259 -3.864 11.511 357 HH21 ARG 46 HH21 ARG 46 -6.922 -1.148 10.231 358 HH22 ARG 46 HH22 ARG 46 -6.808 -2.282 11.534 359 H ALA 47 H ALA 47 -0.093 -3.239 8.161 360 HA ALA 47 HA ALA 47 -0.908 -1.898 10.520 361 HB1 ALA 47 HB1 ALA 47 1.270 -3.958 10.145 362 HB2 ALA 47 HB2 ALA 47 -0.429 -4.291 10.485 363 HB3 ALA 47 HB3 ALA 47 0.567 -3.471 11.686 364 H TYR 48 H TYR 48 2.192 -1.954 8.752 365 HA TYR 48 HA TYR 48 3.819 -0.586 10.509 366 HB2 TYR 48 HB2 TYR 48 3.748 -0.788 7.529 367 HB3 TYR 48 HB3 TYR 48 4.820 0.410 8.243 368 HD1 TYR 48 HD1 TYR 48 6.561 -0.370 9.911 369 HD2 TYR 48 HD2 TYR 48 4.370 -3.077 7.461 370 HE1 TYR 48 HE1 TYR 48 8.267 -2.094 10.299 371 HE2 TYR 48 HE2 TYR 48 6.070 -4.809 7.850 372 HH TYR 48 HH TYR 48 8.518 -4.866 8.462 373 H VAL 49 H VAL 49 1.931 0.987 7.895 374 HA VAL 49 HA VAL 49 2.681 3.598 8.611 375 HB VAL 49 HB VAL 49 0.838 4.390 7.185 376 HG11 VAL 49 HG11 VAL 49 2.978 3.694 6.194 377 HG12 VAL 49 HG12 VAL 49 1.628 3.396 5.100 378 HG13 VAL 49 HG13 VAL 49 2.350 2.057 5.991 379 HG21 VAL 49 HG21 VAL 49 -0.865 2.732 7.794 380 HG22 VAL 49 HG22 VAL 49 0.061 1.471 6.978 381 HG23 VAL 49 HG23 VAL 49 -0.639 2.797 6.048 382 H MET 50 H MET 50 -0.197 1.715 9.545 383 HA MET 50 HA MET 50 -1.437 3.874 10.941 384 HB2 MET 50 HB2 MET 50 -1.901 0.890 11.125 385 HB3 MET 50 HB3 MET 50 -2.927 2.109 11.868 386 HG2 MET 50 HG2 MET 50 -3.442 3.021 9.650 387 HG3 MET 50 HG3 MET 50 -2.425 1.785 8.915 388 HE1 MET 50 HE1 MET 50 -6.327 0.858 11.206 389 HE2 MET 50 HE2 MET 50 -5.729 2.495 10.935 390 HE3 MET 50 HE3 MET 50 -4.847 1.399 11.998 391 H SER 51 H SER 51 0.969 1.521 11.814 392 HA SER 51 HA SER 51 0.667 2.068 14.681 393 HB2 SER 51 HB2 SER 51 0.975 -0.277 13.911 394 HB3 SER 51 HB3 SER 51 2.568 0.157 13.293 395 HG SER 51 HG SER 51 3.293 -0.138 15.234 396 H ASN 52 H ASN 52 2.169 3.628 12.250 397 HA ASN 52 HA ASN 52 4.271 4.632 14.061 398 HB2 ASN 52 HB2 ASN 52 4.582 3.888 11.153 399 HB3 ASN 52 HB3 ASN 52 5.683 5.008 11.948 400 HD21 ASN 52 HD21 ASN 52 4.616 1.721 11.741 401 HD22 ASN 52 HD22 ASN 52 5.912 1.035 12.650 402 H TYR 53 H TYR 53 2.923 5.436 10.835 403 HA TYR 53 HA TYR 53 3.447 8.225 11.205 404 HB2 TYR 53 HB2 TYR 53 1.762 6.850 9.092 405 HB3 TYR 53 HB3 TYR 53 2.313 8.520 9.037 406 HD1 TYR 53 HD1 TYR 53 4.842 8.937 8.947 407 HD2 TYR 53 HD2 TYR 53 3.092 5.125 8.229 408 HE1 TYR 53 HE1 TYR 53 6.879 8.225 7.772 409 HE2 TYR 53 HE2 TYR 53 5.124 4.402 7.057 410 HH TYR 53 HH TYR 53 8.038 6.146 7.171 411 H THR 54 H THR 54 2.057 9.901 11.611 412 HA THR 54 HA THR 54 -0.726 9.234 12.344 413 HB THR 54 HB THR 54 0.489 10.366 14.133 414 HG1 THR 54 HG1 THR 54 -1.435 12.052 12.844 415 HG21 THR 54 HG21 THR 54 1.311 12.676 13.866 416 HG22 THR 54 HG22 THR 54 0.924 12.610 12.144 417 HG23 THR 54 HG23 THR 54 2.168 11.552 12.811 418 H ASP 55 H ASP 55 1.113 10.485 9.869 419 HA ASP 55 HA ASP 55 -0.461 12.639 8.918 420 HB2 ASP 55 HB2 ASP 55 1.301 10.812 7.271 421 HB3 ASP 55 HB3 ASP 55 0.870 12.484 6.924 422 H HIS 56 H HIS 56 -2.571 12.390 8.382 423 HA HIS 56 HA HIS 56 -3.848 10.001 7.777 424 HB2 HIS 56 HB2 HIS 56 -5.014 12.060 8.481 425 HB3 HIS 56 HB3 HIS 56 -4.695 12.773 6.902 426 HD1 HIS 56 HD1 HIS 56 -6.708 10.026 8.529 427 HD2 HIS 56 HD2 HIS 56 -6.450 12.018 4.891 428 HE1 HIS 56 HE1 HIS 56 -8.714 9.289 7.217 429 HE2 HIS 56 HE2 HIS 56 -8.425 10.351 4.957 430 H GLN 57 H GLN 57 -2.406 12.340 5.531 431 HA GLN 57 HA GLN 57 -3.342 11.155 3.146 432 HB2 GLN 57 HB2 GLN 57 -1.030 12.973 3.770 433 HB3 GLN 57 HB3 GLN 57 -1.242 12.323 2.151 434 HG2 GLN 57 HG2 GLN 57 -2.196 14.545 2.319 435 HG3 GLN 57 HG3 GLN 57 -3.452 13.350 2.011 436 HE21 GLN 57 HE21 GLN 57 -4.985 12.941 3.596 437 HE22 GLN 57 HE22 GLN 57 -5.193 13.975 4.968 438 H LEU 58 H LEU 58 -0.365 10.559 5.017 439 HA LEU 58 HA LEU 58 0.758 8.755 3.116 440 HB2 LEU 58 HB2 LEU 58 1.326 8.984 6.078 441 HB3 LEU 58 HB3 LEU 58 2.305 8.110 4.915 442 HG LEU 58 HG LEU 58 1.897 11.103 5.046 443 HD11 LEU 58 HD11 LEU 58 3.450 10.211 6.714 444 HD12 LEU 58 HD12 LEU 58 4.293 11.169 5.498 445 HD13 LEU 58 HD13 LEU 58 4.366 9.408 5.437 446 HD21 LEU 58 HD21 LEU 58 3.447 11.258 3.162 447 HD22 LEU 58 HD22 LEU 58 1.985 10.382 2.712 448 HD23 LEU 58 HD23 LEU 58 3.478 9.498 3.034 449 H ILE 59 H ILE 59 -1.170 8.293 6.060 450 HA ILE 59 HA ILE 59 -1.136 5.461 6.040 451 HB ILE 59 HB ILE 59 -3.235 7.310 7.202 452 HG12 ILE 59 HG12 ILE 59 -0.820 6.028 8.523 453 HG13 ILE 59 HG13 ILE 59 -0.939 7.723 8.061 454 HG21 ILE 59 HG21 ILE 59 -2.658 4.396 7.770 455 HG22 ILE 59 HG22 ILE 59 -4.090 5.048 6.975 456 HG23 ILE 59 HG23 ILE 59 -3.788 5.403 8.675 457 HD11 ILE 59 HD11 ILE 59 -2.666 6.325 10.095 458 HD12 ILE 59 HD12 ILE 59 -2.776 8.025 9.632 459 HD13 ILE 59 HD13 ILE 59 -1.327 7.422 10.437 460 H GLU 60 H GLU 60 -3.678 7.739 4.946 461 HA GLU 60 HA GLU 60 -5.539 5.862 4.094 462 HB2 GLU 60 HB2 GLU 60 -6.000 8.277 4.380 463 HB3 GLU 60 HB3 GLU 60 -5.081 8.612 2.917 464 HG2 GLU 60 HG2 GLU 60 -6.684 7.397 1.577 465 HG3 GLU 60 HG3 GLU 60 -7.565 6.899 3.021 466 H THR 61 H THR 61 -2.949 7.393 2.196 467 HA THR 61 HA THR 61 -3.492 6.245 -0.291 468 HB THR 61 HB THR 61 -0.769 6.861 0.893 469 HG1 THR 61 HG1 THR 61 -1.494 8.836 0.700 470 HG21 THR 61 HG21 THR 61 -0.575 5.419 -1.085 471 HG22 THR 61 HG22 THR 61 -0.008 7.053 -1.439 472 HG23 THR 61 HG23 THR 61 -1.595 6.528 -2.002 473 H THR 62 H THR 62 -1.782 4.908 2.494 474 HA THR 62 HA THR 62 -0.677 2.650 1.183 475 HB THR 62 HB THR 62 -1.270 3.056 4.122 476 HG1 THR 62 HG1 THR 62 0.250 4.533 3.465 477 HG21 THR 62 HG21 THR 62 0.387 1.264 4.498 478 HG22 THR 62 HG22 THR 62 0.477 0.989 2.759 479 HG23 THR 62 HG23 THR 62 -1.025 0.668 3.627 480 H ASN 63 H ASN 63 -3.514 2.825 3.410 481 HA ASN 63 HA ASN 63 -4.310 0.146 2.991 482 HB2 ASN 63 HB2 ASN 63 -6.558 0.888 3.855 483 HB3 ASN 63 HB3 ASN 63 -5.202 1.293 4.898 484 HD21 ASN 63 HD21 ASN 63 -7.642 2.559 2.754 485 HD22 ASN 63 HD22 ASN 63 -7.433 4.212 3.204 486 H ARG 64 H ARG 64 -5.105 3.118 1.267 487 HA ARG 64 HA ARG 64 -7.040 2.102 -0.504 488 HB2 ARG 64 HB2 ARG 64 -6.381 4.529 -0.118 489 HB3 ARG 64 HB3 ARG 64 -4.983 4.239 -1.136 490 HG2 ARG 64 HG2 ARG 64 -7.791 3.785 -2.120 491 HG3 ARG 64 HG3 ARG 64 -7.013 5.366 -2.194 492 HD2 ARG 64 HD2 ARG 64 -5.169 4.324 -3.511 493 HD3 ARG 64 HD3 ARG 64 -6.089 2.816 -3.524 494 HE ARG 64 HE ARG 64 -7.540 5.095 -4.519 495 HH11 ARG 64 HH11 ARG 64 -5.430 2.505 -5.349 496 HH12 ARG 64 HH12 ARG 64 -5.905 2.515 -7.011 497 HH21 ARG 64 HH21 ARG 64 -8.110 5.123 -6.645 498 HH22 ARG 64 HH22 ARG 64 -7.384 4.001 -7.747 499 H ALA 65 H ALA 65 -3.495 2.135 -0.688 500 HA ALA 65 HA ALA 65 -3.292 1.017 -3.292 501 HB1 ALA 65 HB1 ALA 65 -1.458 2.257 -2.273 502 HB2 ALA 65 HB2 ALA 65 -0.937 0.632 -2.721 503 HB3 ALA 65 HB3 ALA 65 -1.284 1.013 -1.034 504 H ILE 66 H ILE 66 -2.591 -0.523 -0.134 505 HA ILE 66 HA ILE 66 -2.203 -3.108 -1.102 506 HB ILE 66 HB ILE 66 -3.134 -2.217 1.635 507 HG12 ILE 66 HG12 ILE 66 -0.919 -1.373 0.960 508 HG13 ILE 66 HG13 ILE 66 -0.781 -2.544 2.268 509 HG21 ILE 66 HG21 ILE 66 -3.749 -4.553 1.319 510 HG22 ILE 66 HG22 ILE 66 -2.404 -4.423 2.451 511 HG23 ILE 66 HG23 ILE 66 -2.111 -4.934 0.787 512 HD11 ILE 66 HD11 ILE 66 0.958 -2.880 0.623 513 HD12 ILE 66 HD12 ILE 66 -0.248 -3.066 -0.651 514 HD13 ILE 66 HD13 ILE 66 -0.136 -4.262 0.642 515 H SER 67 H SER 67 -5.218 -1.702 0.229 516 HA SER 67 HA SER 67 -6.711 -4.099 0.141 517 HB2 SER 67 HB2 SER 67 -7.377 -2.116 1.473 518 HB3 SER 67 HB3 SER 67 -7.789 -1.273 -0.020 519 HG SER 67 HG SER 67 -9.474 -2.546 1.287 520 H LEU 68 H LEU 68 -6.687 -1.361 -2.175 521 HA LEU 68 HA LEU 68 -8.446 -2.622 -4.014 522 HB2 LEU 68 HB2 LEU 68 -6.570 -0.285 -4.211 523 HB3 LEU 68 HB3 LEU 68 -7.382 -0.886 -5.643 524 HG LEU 68 HG LEU 68 -8.575 1.024 -4.707 525 HD11 LEU 68 HD11 LEU 68 -10.106 -1.551 -4.322 526 HD12 LEU 68 HD12 LEU 68 -9.865 -0.703 -5.849 527 HD13 LEU 68 HD13 LEU 68 -10.805 0.052 -4.565 528 HD21 LEU 68 HD21 LEU 68 -7.928 0.807 -2.369 529 HD22 LEU 68 HD22 LEU 68 -8.901 -0.655 -2.218 530 HD23 LEU 68 HD23 LEU 68 -9.682 0.897 -2.522 531 H TYR 69 H TYR 69 -4.960 -2.742 -3.606 532 HA TYR 69 HA TYR 69 -4.251 -3.879 -6.076 533 HB2 TYR 69 HB2 TYR 69 -2.631 -2.993 -4.415 534 HB3 TYR 69 HB3 TYR 69 -2.968 -4.370 -3.375 535 HD1 TYR 69 HD1 TYR 69 -1.798 -3.583 -6.842 536 HD2 TYR 69 HD2 TYR 69 -1.584 -6.252 -3.529 537 HE1 TYR 69 HE1 TYR 69 -0.010 -4.836 -7.974 538 HE2 TYR 69 HE2 TYR 69 0.201 -7.510 -4.657 539 HH TYR 69 HH TYR 69 1.105 -7.895 -6.825 540 H MET 70 H MET 70 -4.959 -5.535 -2.973 541 HA MET 70 HA MET 70 -4.916 -8.150 -4.111 542 HB2 MET 70 HB2 MET 70 -5.884 -8.909 -1.988 543 HB3 MET 70 HB3 MET 70 -4.540 -7.809 -1.716 544 HG2 MET 70 HG2 MET 70 -6.036 -6.016 -1.168 545 HG3 MET 70 HG3 MET 70 -7.436 -6.988 -1.622 546 HE1 MET 70 HE1 MET 70 -4.255 -8.202 0.346 547 HE2 MET 70 HE2 MET 70 -4.759 -7.950 2.016 548 HE3 MET 70 HE3 MET 70 -4.487 -6.565 0.959 549 H ALA 71 H ALA 71 -7.496 -5.800 -3.548 550 HA ALA 71 HA ALA 71 -9.698 -7.481 -4.115 551 HB1 ALA 71 HB1 ALA 71 -10.976 -5.431 -4.402 552 HB2 ALA 71 HB2 ALA 71 -9.484 -4.493 -4.514 553 HB3 ALA 71 HB3 ALA 71 -9.911 -5.297 -3.003 554 H ASN 72 H ASN 72 -7.655 -5.474 -6.195 555 HA ASN 72 HA ASN 72 -9.058 -6.007 -8.611 556 HB2 ASN 72 HB2 ASN 72 -7.542 -4.103 -8.426 557 HB3 ASN 72 HB3 ASN 72 -6.180 -5.183 -8.142 558 HD21 ASN 72 HD21 ASN 72 -8.394 -3.933 -10.504 559 HD22 ASN 72 HD22 ASN 72 -7.543 -4.506 -11.894 560 H LEU 73 H LEU 73 -6.125 -7.427 -7.154 561 HA LEU 73 HA LEU 73 -5.450 -9.290 -9.077 562 HB2 LEU 73 HB2 LEU 73 -4.284 -8.671 -6.866 563 HB3 LEU 73 HB3 LEU 73 -5.306 -9.878 -6.118 564 HG LEU 73 HG LEU 73 -2.996 -10.664 -6.636 565 HD11 LEU 73 HD11 LEU 73 -4.817 -12.286 -6.405 566 HD12 LEU 73 HD12 LEU 73 -3.609 -12.815 -7.575 567 HD13 LEU 73 HD13 LEU 73 -5.148 -12.158 -8.134 568 HD21 LEU 73 HD21 LEU 73 -2.659 -9.419 -8.707 569 HD22 LEU 73 HD22 LEU 73 -3.871 -10.414 -9.513 570 HD23 LEU 73 HD23 LEU 73 -2.368 -11.141 -8.941 571 H GLU 74 H GLU 74 -7.852 -9.635 -6.464 572 HA GLU 74 HA GLU 74 -8.570 -12.293 -6.776 573 HB2 GLU 74 HB2 GLU 74 -9.410 -10.655 -5.029 574 HB3 GLU 74 HB3 GLU 74 -10.538 -10.053 -6.232 575 HG2 GLU 74 HG2 GLU 74 -10.477 -12.950 -5.411 576 HG3 GLU 74 HG3 GLU 74 -11.397 -11.743 -4.521 577 H HIS 75 H HIS 75 -10.201 -9.513 -8.349 578 HA HIS 75 HA HIS 75 -11.693 -11.225 -10.109 579 HB2 HIS 75 HB2 HIS 75 -11.347 -8.219 -10.070 580 HB3 HIS 75 HB3 HIS 75 -12.417 -9.073 -11.175 581 HD1 HIS 75 HD1 HIS 75 -14.491 -10.288 -10.100 582 HD2 HIS 75 HD2 HIS 75 -12.348 -7.842 -7.513 583 HE1 HIS 75 HE1 HIS 75 -15.995 -9.913 -8.131 584 HE2 HIS 75 HE2 HIS 75 -14.623 -8.567 -6.517 585 H HIS 76 H HIS 76 -8.556 -9.867 -10.249 586 HA HIS 76 HA HIS 76 -8.284 -9.799 -13.107 587 HB2 HIS 76 HB2 HIS 76 -6.866 -8.584 -11.287 588 HB3 HIS 76 HB3 HIS 76 -5.973 -10.095 -11.193 589 HD1 HIS 76 HD1 HIS 76 -4.228 -10.513 -12.976 590 HD2 HIS 76 HD2 HIS 76 -6.682 -7.273 -13.835 591 HE1 HIS 76 HE1 HIS 76 -3.184 -9.384 -14.959 592 HE2 HIS 76 HE2 HIS 76 -4.578 -7.320 -15.326 593 H HIS 77 H HIS 77 -7.751 -12.170 -10.582 594 HA HIS 77 HA HIS 77 -6.833 -14.189 -12.493 595 HB2 HIS 77 HB2 HIS 77 -5.681 -14.220 -10.390 596 HB3 HIS 77 HB3 HIS 77 -7.192 -14.201 -9.489 597 HD1 HIS 77 HD1 HIS 77 -5.592 -16.521 -12.062 598 HD2 HIS 77 HD2 HIS 77 -7.783 -16.659 -8.539 599 HE1 HIS 77 HE1 HIS 77 -5.875 -18.956 -11.549 600 HE2 HIS 77 HE2 HIS 77 -7.029 -19.006 -9.320 601 H HIS 78 H HIS 78 -9.718 -13.168 -10.888 602 HA HIS 78 HA HIS 78 -11.216 -15.557 -10.940 603 HB2 HIS 78 HB2 HIS 78 -11.728 -13.368 -9.717 604 HB3 HIS 78 HB3 HIS 78 -12.356 -12.770 -11.248 605 HD1 HIS 78 HD1 HIS 78 -13.415 -14.336 -8.240 606 HD2 HIS 78 HD2 HIS 78 -14.544 -14.611 -12.230 607 HE1 HIS 78 HE1 HIS 78 -15.699 -15.377 -8.224 608 HE2 HIS 78 HE2 HIS 78 -16.443 -15.313 -10.626 609 H HIS 79 H HIS 79 -11.685 -16.722 -12.714 610 HA HIS 79 HA HIS 79 -12.123 -17.333 -14.862 611 HB2 HIS 79 HB2 HIS 79 -14.248 -16.186 -14.444 612 HB3 HIS 79 HB3 HIS 79 -13.539 -14.649 -14.918 613 HD1 HIS 79 HD1 HIS 79 -13.643 -14.050 -17.345 614 HD2 HIS 79 HD2 HIS 79 -14.543 -18.049 -16.667 615 HE1 HIS 79 HE1 HIS 79 -14.453 -14.940 -19.547 616 HE2 HIS 79 HE2 HIS 79 -14.807 -17.394 -19.154 617 H HIS 80 H HIS 80 -9.653 -16.853 -14.868 618 HA HIS 80 HA HIS 80 -9.044 -15.571 -17.378 619 HB2 HIS 80 HB2 HIS 80 -9.026 -13.635 -15.828 620 HB3 HIS 80 HB3 HIS 80 -7.810 -14.443 -14.843 621 HD1 HIS 80 HD1 HIS 80 -5.448 -14.849 -16.082 622 HD2 HIS 80 HD2 HIS 80 -8.022 -12.141 -17.889 623 HE1 HIS 80 HE1 HIS 80 -4.020 -13.523 -17.662 624 HE2 HIS 80 HE2 HIS 80 -5.628 -12.006 -18.858 Start of MODEL 4 1 H1 MET 1 H1 MET 1 19.357 -15.126 -2.615 2 H2 MET 1 H2 MET 1 19.517 -16.299 -3.821 3 H3 MET 1 H3 MET 1 18.342 -16.478 -2.617 4 HA MET 1 HA MET 1 18.398 -14.339 -4.663 5 HB2 MET 1 HB2 MET 1 17.869 -16.568 -5.586 6 HB3 MET 1 HB3 MET 1 16.582 -16.752 -4.402 7 HG2 MET 1 HG2 MET 1 15.410 -14.840 -5.386 8 HG3 MET 1 HG3 MET 1 16.698 -14.668 -6.575 9 HE1 MET 1 HE1 MET 1 16.342 -18.050 -8.580 10 HE2 MET 1 HE2 MET 1 17.380 -17.730 -7.189 11 HE3 MET 1 HE3 MET 1 17.220 -16.525 -8.470 12 H ALA 2 H ALA 2 17.218 -12.577 -4.141 13 HA ALA 2 HA ALA 2 15.564 -12.618 -1.726 14 HB1 ALA 2 HB1 ALA 2 17.174 -10.799 -1.977 15 HB2 ALA 2 HB2 ALA 2 15.524 -10.176 -1.956 16 HB3 ALA 2 HB3 ALA 2 16.398 -10.301 -3.483 17 H GLY 3 H GLY 3 13.374 -11.865 -1.691 18 HA2 GLY 3 HA2 GLY 3 11.946 -12.593 -4.152 19 HA3 GLY 3 HA3 GLY 3 11.272 -12.563 -2.535 20 H ASP 4 H ASP 4 9.598 -11.535 -4.044 21 HA ASP 4 HA ASP 4 8.289 -9.784 -4.553 22 HB2 ASP 4 HB2 ASP 4 8.561 -9.116 -2.243 23 HB3 ASP 4 HB3 ASP 4 10.066 -8.280 -2.627 24 HA PRO 5 HA PRO 5 10.644 -7.764 -7.860 25 HB2 PRO 5 HB2 PRO 5 8.113 -7.672 -9.291 26 HB3 PRO 5 HB3 PRO 5 9.559 -8.613 -9.664 27 HG2 PRO 5 HG2 PRO 5 7.210 -9.734 -8.838 28 HG3 PRO 5 HG3 PRO 5 8.798 -10.465 -8.548 29 HD2 PRO 5 HD2 PRO 5 7.094 -8.844 -6.677 30 HD3 PRO 5 HD3 PRO 5 8.018 -10.331 -6.357 31 H MET 6 H MET 6 9.577 -6.310 -5.544 32 HA MET 6 HA MET 6 9.069 -4.183 -4.906 33 HB2 MET 6 HB2 MET 6 9.583 -3.548 -7.823 34 HB3 MET 6 HB3 MET 6 9.457 -2.358 -6.538 35 HG2 MET 6 HG2 MET 6 11.434 -3.235 -5.467 36 HG3 MET 6 HG3 MET 6 11.534 -4.535 -6.651 37 HE1 MET 6 HE1 MET 6 12.178 -0.078 -7.696 38 HE2 MET 6 HE2 MET 6 11.758 -0.652 -6.083 39 HE3 MET 6 HE3 MET 6 10.583 -0.763 -7.392 40 H THR 7 H THR 7 6.896 -5.897 -5.587 41 HA THR 7 HA THR 7 5.014 -4.941 -7.396 42 HB THR 7 HB THR 7 3.291 -6.124 -6.037 43 HG1 THR 7 HG1 THR 7 5.354 -6.959 -4.294 44 HG21 THR 7 HG21 THR 7 5.876 -7.651 -6.415 45 HG22 THR 7 HG22 THR 7 4.662 -7.359 -7.659 46 HG23 THR 7 HG23 THR 7 4.267 -8.360 -6.261 47 H PHE 8 H PHE 8 5.054 -4.237 -3.874 48 HA PHE 8 HA PHE 8 2.833 -2.530 -3.873 49 HB2 PHE 8 HB2 PHE 8 3.743 -3.444 -1.807 50 HB3 PHE 8 HB3 PHE 8 5.229 -2.524 -2.020 51 HD1 PHE 8 HD1 PHE 8 1.558 -2.132 -1.524 52 HD2 PHE 8 HD2 PHE 8 5.416 -0.354 -1.136 53 HE1 PHE 8 HE1 PHE 8 0.570 -0.262 -0.260 54 HE2 PHE 8 HE2 PHE 8 4.430 1.512 0.127 55 HZ PHE 8 HZ PHE 8 2.006 1.559 0.568 56 H TYR 9 H TYR 9 6.290 -1.654 -4.053 57 HA TYR 9 HA TYR 9 5.891 1.134 -4.189 58 HB2 TYR 9 HB2 TYR 9 8.056 0.094 -3.612 59 HB3 TYR 9 HB3 TYR 9 8.216 -0.489 -5.265 60 HD1 TYR 9 HD1 TYR 9 7.598 2.751 -3.477 61 HD2 TYR 9 HD2 TYR 9 9.583 0.755 -6.672 62 HE1 TYR 9 HE1 TYR 9 8.715 4.852 -4.091 63 HE2 TYR 9 HE2 TYR 9 10.706 2.852 -7.292 64 HH TYR 9 HH TYR 9 10.580 5.155 -7.025 65 H ASN 10 H ASN 10 6.016 -1.335 -6.698 66 HA ASN 10 HA ASN 10 6.248 0.154 -9.005 67 HB2 ASN 10 HB2 ASN 10 6.197 -2.272 -9.045 68 HB3 ASN 10 HB3 ASN 10 4.527 -2.285 -8.487 69 HD21 ASN 10 HD21 ASN 10 3.681 -3.345 -10.224 70 HD22 ASN 10 HD22 ASN 10 3.599 -2.652 -11.804 71 H PHE 11 H PHE 11 3.278 -0.491 -7.156 72 HA PHE 11 HA PHE 11 1.499 0.749 -8.974 73 HB2 PHE 11 HB2 PHE 11 0.748 -0.861 -7.288 74 HB3 PHE 11 HB3 PHE 11 1.193 0.255 -6.002 75 HD1 PHE 11 HD1 PHE 11 -0.920 0.185 -9.090 76 HD2 PHE 11 HD2 PHE 11 -0.498 1.523 -5.063 77 HE1 PHE 11 HE1 PHE 11 -3.177 1.154 -9.180 78 HE2 PHE 11 HE2 PHE 11 -2.758 2.494 -5.151 79 HZ PHE 11 HZ PHE 11 -4.101 2.308 -7.209 80 H ILE 12 H ILE 12 3.105 1.988 -6.047 81 HA ILE 12 HA ILE 12 1.614 4.428 -6.026 82 HB ILE 12 HB ILE 12 2.578 3.329 -3.991 83 HG12 ILE 12 HG12 ILE 12 3.248 5.466 -2.877 84 HG13 ILE 12 HG13 ILE 12 3.308 6.242 -4.456 85 HG21 ILE 12 HG21 ILE 12 4.775 2.761 -4.838 86 HG22 ILE 12 HG22 ILE 12 4.923 3.782 -3.408 87 HG23 ILE 12 HG23 ILE 12 5.181 4.469 -5.012 88 HD11 ILE 12 HD11 ILE 12 0.928 5.861 -4.751 89 HD12 ILE 12 HD12 ILE 12 1.241 6.739 -3.254 90 HD13 ILE 12 HD13 ILE 12 0.855 5.018 -3.203 91 H MET 13 H MET 13 4.448 3.474 -7.747 92 HA MET 13 HA MET 13 5.926 5.831 -7.891 93 HB2 MET 13 HB2 MET 13 5.518 3.752 -10.051 94 HB3 MET 13 HB3 MET 13 6.750 5.006 -10.091 95 HG2 MET 13 HG2 MET 13 7.655 4.064 -7.956 96 HG3 MET 13 HG3 MET 13 6.525 2.726 -8.143 97 HE1 MET 13 HE1 MET 13 6.646 2.538 -11.458 98 HE2 MET 13 HE2 MET 13 6.509 1.167 -10.357 99 HE3 MET 13 HE3 MET 13 7.783 1.196 -11.575 100 H GLY 14 H GLY 14 3.093 4.905 -9.820 101 HA2 GLY 14 HA2 GLY 14 3.126 6.987 -11.689 102 HA3 GLY 14 HA3 GLY 14 1.683 6.147 -11.145 103 H PHE 15 H PHE 15 1.850 6.939 -8.393 104 HA PHE 15 HA PHE 15 0.538 9.468 -8.546 105 HB2 PHE 15 HB2 PHE 15 1.461 7.884 -6.136 106 HB3 PHE 15 HB3 PHE 15 0.392 9.282 -6.077 107 HD1 PHE 15 HD1 PHE 15 0.685 5.756 -7.081 108 HD2 PHE 15 HD2 PHE 15 -1.926 9.104 -6.699 109 HE1 PHE 15 HE1 PHE 15 -1.255 4.277 -7.398 110 HE2 PHE 15 HE2 PHE 15 -3.869 7.629 -7.014 111 HZ PHE 15 HZ PHE 15 -3.536 5.211 -7.362 112 H GLN 16 H GLN 16 3.823 8.595 -8.243 113 HA GLN 16 HA GLN 16 4.678 10.981 -6.857 114 HB2 GLN 16 HB2 GLN 16 5.976 8.928 -6.625 115 HB3 GLN 16 HB3 GLN 16 6.252 8.878 -8.361 116 HG2 GLN 16 HG2 GLN 16 8.235 9.676 -7.257 117 HG3 GLN 16 HG3 GLN 16 7.524 10.986 -8.197 118 HE21 GLN 16 HE21 GLN 16 6.333 9.881 -5.091 119 HE22 GLN 16 HE22 GLN 16 6.735 11.313 -4.221 120 H ASN 17 H ASN 17 4.214 10.008 -10.187 121 HA ASN 17 HA ASN 17 5.826 11.882 -11.503 122 HB2 ASN 17 HB2 ASN 17 4.625 9.963 -12.584 123 HB3 ASN 17 HB3 ASN 17 3.122 10.871 -12.436 124 HD21 ASN 17 HD21 ASN 17 6.167 10.625 -14.087 125 HD22 ASN 17 HD22 ASN 17 5.793 11.744 -15.348 126 H ASP 18 H ASP 18 2.323 12.147 -10.807 127 HA ASP 18 HA ASP 18 2.373 15.030 -11.084 128 HB2 ASP 18 HB2 ASP 18 0.211 13.119 -10.153 129 HB3 ASP 18 HB3 ASP 18 -0.013 14.858 -10.304 130 H ASN 19 H ASN 19 3.009 16.381 -9.507 131 HA ASN 19 HA ASN 19 3.760 15.494 -6.938 132 HB2 ASN 19 HB2 ASN 19 3.950 17.982 -6.422 133 HB3 ASN 19 HB3 ASN 19 4.902 17.387 -7.777 134 HD21 ASN 19 HD21 ASN 19 2.219 19.341 -6.814 135 HD22 ASN 19 HD22 ASN 19 1.970 20.106 -8.341 136 H THR 20 H THR 20 1.930 14.411 -6.139 137 HA THR 20 HA THR 20 -0.297 16.110 -5.159 138 HB THR 20 HB THR 20 -1.685 14.066 -5.160 139 HG1 THR 20 HG1 THR 20 0.332 12.703 -6.608 140 HG21 THR 20 HG21 THR 20 -0.332 14.543 -7.824 141 HG22 THR 20 HG22 THR 20 -1.690 15.463 -7.178 142 HG23 THR 20 HG23 THR 20 -1.895 13.760 -7.587 143 HA PRO 21 HA PRO 21 0.483 14.799 -0.889 144 HB2 PRO 21 HB2 PRO 21 -2.017 13.782 -0.184 145 HB3 PRO 21 HB3 PRO 21 -1.544 15.480 -0.085 146 HG2 PRO 21 HG2 PRO 21 -3.079 14.065 -2.229 147 HG3 PRO 21 HG3 PRO 21 -3.344 15.678 -1.538 148 HD2 PRO 21 HD2 PRO 21 -2.179 15.379 -3.927 149 HD3 PRO 21 HD3 PRO 21 -1.619 16.629 -2.794 150 H PHE 22 H PHE 22 -1.162 12.593 -3.101 151 HA PHE 22 HA PHE 22 -0.498 10.167 -1.776 152 HB2 PHE 22 HB2 PHE 22 -1.061 10.727 -4.703 153 HB3 PHE 22 HB3 PHE 22 -0.929 9.117 -4.004 154 HD1 PHE 22 HD1 PHE 22 -2.916 12.250 -3.898 155 HD2 PHE 22 HD2 PHE 22 -2.767 8.100 -2.943 156 HE1 PHE 22 HE1 PHE 22 -5.311 12.293 -3.331 157 HE2 PHE 22 HE2 PHE 22 -5.159 8.142 -2.378 158 HZ PHE 22 HZ PHE 22 -6.435 10.239 -2.570 159 H GLY 23 H GLY 23 1.119 12.106 -4.269 160 HA2 GLY 23 HA2 GLY 23 3.352 10.439 -4.692 161 HA3 GLY 23 HA3 GLY 23 3.315 12.176 -4.949 162 H ILE 24 H ILE 24 2.696 12.820 -2.172 163 HA ILE 24 HA ILE 24 5.249 13.048 -1.044 164 HB ILE 24 HB ILE 24 2.581 13.088 0.391 165 HG12 ILE 24 HG12 ILE 24 2.715 14.743 -1.419 166 HG13 ILE 24 HG13 ILE 24 2.729 15.535 0.153 167 HG21 ILE 24 HG21 ILE 24 4.389 12.773 1.978 168 HG22 ILE 24 HG22 ILE 24 3.753 14.411 2.119 169 HG23 ILE 24 HG23 ILE 24 5.278 14.127 1.279 170 HD11 ILE 24 HD11 ILE 24 5.128 15.044 -1.602 171 HD12 ILE 24 HD12 ILE 24 5.153 15.826 -0.021 172 HD13 ILE 24 HD13 ILE 24 4.297 16.580 -1.365 173 H LEU 25 H LEU 25 2.744 10.583 -0.552 174 HA LEU 25 HA LEU 25 3.967 9.097 1.492 175 HB2 LEU 25 HB2 LEU 25 1.631 8.824 0.575 176 HB3 LEU 25 HB3 LEU 25 2.322 7.996 -0.802 177 HG LEU 25 HG LEU 25 1.302 6.521 0.981 178 HD11 LEU 25 HD11 LEU 25 2.867 5.627 -0.674 179 HD12 LEU 25 HD12 LEU 25 3.025 4.822 0.885 180 HD13 LEU 25 HD13 LEU 25 4.218 6.023 0.390 181 HD21 LEU 25 HD21 LEU 25 3.752 7.333 2.546 182 HD22 LEU 25 HD22 LEU 25 2.600 6.075 2.992 183 HD23 LEU 25 HD23 LEU 25 2.085 7.760 2.935 184 H ALA 26 H ALA 26 4.131 8.570 -2.048 185 HA ALA 26 HA ALA 26 6.083 6.557 -2.052 186 HB1 ALA 26 HB1 ALA 26 6.412 7.067 -4.396 187 HB2 ALA 26 HB2 ALA 26 5.645 8.642 -4.193 188 HB3 ALA 26 HB3 ALA 26 4.694 7.168 -4.007 189 H GLU 27 H GLU 27 6.410 10.039 -1.855 190 HA GLU 27 HA GLU 27 9.193 10.197 -2.413 191 HB2 GLU 27 HB2 GLU 27 7.377 12.055 -2.427 192 HB3 GLU 27 HB3 GLU 27 7.677 12.169 -0.701 193 HG2 GLU 27 HG2 GLU 27 9.776 12.543 -2.834 194 HG3 GLU 27 HG3 GLU 27 8.878 13.850 -2.073 195 H HIS 28 H HIS 28 7.375 10.263 0.679 196 HA HIS 28 HA HIS 28 9.718 10.425 2.275 197 HB2 HIS 28 HB2 HIS 28 7.509 11.212 3.064 198 HB3 HIS 28 HB3 HIS 28 6.958 9.539 3.134 199 HD1 HIS 28 HD1 HIS 28 7.344 8.351 5.298 200 HD2 HIS 28 HD2 HIS 28 9.761 11.713 4.915 201 HE1 HIS 28 HE1 HIS 28 8.546 8.573 7.488 202 HE2 HIS 28 HE2 HIS 28 10.115 10.503 7.175 203 H VAL 29 H VAL 29 7.747 7.636 1.242 204 HA VAL 29 HA VAL 29 9.087 5.752 2.898 205 HB VAL 29 HB VAL 29 8.199 3.998 1.450 206 HG11 VAL 29 HG11 VAL 29 5.796 4.530 1.650 207 HG12 VAL 29 HG12 VAL 29 6.212 6.211 1.987 208 HG13 VAL 29 HG13 VAL 29 6.701 4.940 3.107 209 HG21 VAL 29 HG21 VAL 29 7.349 6.249 -0.382 210 HG22 VAL 29 HG22 VAL 29 6.863 4.561 -0.549 211 HG23 VAL 29 HG23 VAL 29 8.558 5.012 -0.732 212 H SER 30 H SER 30 9.929 7.239 -0.133 213 HA SER 30 HA SER 30 12.080 5.445 -0.784 214 HB2 SER 30 HB2 SER 30 11.012 6.790 -2.530 215 HB3 SER 30 HB3 SER 30 11.518 8.272 -1.722 216 HG SER 30 HG SER 30 13.665 7.743 -2.156 217 H GLU 31 H GLU 31 11.691 8.039 1.417 218 HA GLU 31 HA GLU 31 14.378 8.920 1.637 219 HB2 GLU 31 HB2 GLU 31 12.513 10.247 2.472 220 HB3 GLU 31 HB3 GLU 31 12.079 8.991 3.616 221 HG2 GLU 31 HG2 GLU 31 14.807 10.153 3.822 222 HG3 GLU 31 HG3 GLU 31 13.450 11.164 4.304 223 H ASP 32 H ASP 32 12.578 6.283 3.130 224 HA ASP 32 HA ASP 32 14.753 5.508 4.869 225 HB2 ASP 32 HB2 ASP 32 12.341 5.143 5.445 226 HB3 ASP 32 HB3 ASP 32 12.244 3.963 4.140 227 H LYS 33 H LYS 33 15.456 3.105 4.757 228 HA LYS 33 HA LYS 33 16.900 2.684 2.365 229 HB2 LYS 33 HB2 LYS 33 16.317 0.752 4.622 230 HB3 LYS 33 HB3 LYS 33 17.543 0.528 3.382 231 HG2 LYS 33 HG2 LYS 33 18.739 2.495 4.173 232 HG3 LYS 33 HG3 LYS 33 17.497 2.776 5.392 233 HD2 LYS 33 HD2 LYS 33 18.023 0.600 6.416 234 HD3 LYS 33 HD3 LYS 33 19.284 0.347 5.208 235 HE2 LYS 33 HE2 LYS 33 20.487 2.305 6.037 236 HE3 LYS 33 HE3 LYS 33 19.211 2.606 7.217 237 HZ1 LYS 33 HZ1 LYS 33 21.054 1.471 8.247 238 HZ2 LYS 33 HZ2 LYS 33 20.969 0.214 7.120 239 HZ3 LYS 33 HZ3 LYS 33 19.708 0.447 8.220 240 H ALA 34 H ALA 34 13.825 1.450 3.522 241 HA ALA 34 HA ALA 34 12.135 0.305 2.522 242 HB1 ALA 34 HB1 ALA 34 12.361 2.055 0.821 243 HB2 ALA 34 HB2 ALA 34 11.857 0.519 0.112 244 HB3 ALA 34 HB3 ALA 34 13.530 1.060 -0.048 245 H PHE 35 H PHE 35 14.534 -1.195 3.305 246 HA PHE 35 HA PHE 35 14.732 -3.341 1.346 247 HB2 PHE 35 HB2 PHE 35 16.017 -2.940 4.057 248 HB3 PHE 35 HB3 PHE 35 16.235 -4.400 3.098 249 HD1 PHE 35 HD1 PHE 35 16.647 -3.513 0.415 250 HD2 PHE 35 HD2 PHE 35 17.965 -1.711 4.044 251 HE1 PHE 35 HE1 PHE 35 18.518 -2.472 -0.790 252 HE2 PHE 35 HE2 PHE 35 19.839 -0.662 2.841 253 HZ PHE 35 HZ PHE 35 20.115 -1.044 0.422 254 HA PRO 36 HA PRO 36 11.500 -5.863 3.030 255 HB2 PRO 36 HB2 PRO 36 12.452 -8.361 2.421 256 HB3 PRO 36 HB3 PRO 36 11.709 -7.276 1.241 257 HG2 PRO 36 HG2 PRO 36 14.615 -7.775 1.790 258 HG3 PRO 36 HG3 PRO 36 13.782 -7.620 0.231 259 HD2 PRO 36 HD2 PRO 36 15.205 -5.589 1.298 260 HD3 PRO 36 HD3 PRO 36 13.731 -5.302 0.348 261 H ARG 37 H ARG 37 11.619 -5.521 5.228 262 HA ARG 37 HA ARG 37 13.504 -7.055 6.853 263 HB2 ARG 37 HB2 ARG 37 11.340 -5.125 7.732 264 HB3 ARG 37 HB3 ARG 37 12.666 -5.737 8.715 265 HG2 ARG 37 HG2 ARG 37 14.273 -4.493 7.494 266 HG3 ARG 37 HG3 ARG 37 13.110 -4.105 6.225 267 HD2 ARG 37 HD2 ARG 37 13.493 -2.178 7.660 268 HD3 ARG 37 HD3 ARG 37 11.831 -2.743 7.809 269 HE ARG 37 HE ARG 37 12.614 -3.857 9.917 270 HH11 ARG 37 HH11 ARG 37 14.198 -1.051 8.690 271 HH12 ARG 37 HH12 ARG 37 14.757 -0.559 10.251 272 HH21 ARG 37 HH21 ARG 37 13.307 -3.201 11.909 273 HH22 ARG 37 HH22 ARG 37 14.254 -1.757 12.055 274 H LEU 38 H LEU 38 10.043 -6.404 7.409 275 HA LEU 38 HA LEU 38 9.555 -9.320 7.664 276 HB2 LEU 38 HB2 LEU 38 8.381 -7.086 9.341 277 HB3 LEU 38 HB3 LEU 38 7.833 -8.746 9.389 278 HG LEU 38 HG LEU 38 9.175 -8.464 11.297 279 HD11 LEU 38 HD11 LEU 38 9.610 -10.552 10.154 280 HD12 LEU 38 HD12 LEU 38 11.069 -9.970 10.953 281 HD13 LEU 38 HD13 LEU 38 10.891 -9.794 9.208 282 HD21 LEU 38 HD21 LEU 38 11.437 -7.554 11.287 283 HD22 LEU 38 HD22 LEU 38 10.268 -6.378 10.685 284 HD23 LEU 38 HD23 LEU 38 11.314 -7.239 9.556 285 H GLU 39 H GLU 39 9.121 -7.100 5.554 286 HA GLU 39 HA GLU 39 6.226 -6.843 5.416 287 HB2 GLU 39 HB2 GLU 39 8.414 -5.691 3.671 288 HB3 GLU 39 HB3 GLU 39 6.704 -5.308 3.522 289 HG2 GLU 39 HG2 GLU 39 7.852 -3.543 4.707 290 HG3 GLU 39 HG3 GLU 39 6.726 -4.359 5.790 291 H GLU 40 H GLU 40 7.611 -9.462 4.823 292 HA GLU 40 HA GLU 40 7.515 -10.122 2.111 293 HB2 GLU 40 HB2 GLU 40 7.203 -12.456 2.879 294 HB3 GLU 40 HB3 GLU 40 8.470 -11.620 3.770 295 HG2 GLU 40 HG2 GLU 40 7.003 -11.302 5.658 296 HG3 GLU 40 HG3 GLU 40 5.643 -11.971 4.758 297 H ARG 41 H ARG 41 4.931 -9.632 4.376 298 HA ARG 41 HA ARG 41 2.930 -10.515 2.387 299 HB2 ARG 41 HB2 ARG 41 2.432 -9.963 5.321 300 HB3 ARG 41 HB3 ARG 41 1.379 -10.803 4.192 301 HG2 ARG 41 HG2 ARG 41 4.046 -11.823 5.167 302 HG3 ARG 41 HG3 ARG 41 2.475 -12.311 5.800 303 HD2 ARG 41 HD2 ARG 41 1.870 -13.199 3.595 304 HD3 ARG 41 HD3 ARG 41 3.441 -12.703 2.965 305 HE ARG 41 HE ARG 41 4.425 -14.293 4.602 306 HH11 ARG 41 HH11 ARG 41 1.177 -14.728 3.540 307 HH12 ARG 41 HH12 ARG 41 1.160 -16.411 3.917 308 HH21 ARG 41 HH21 ARG 41 4.391 -16.467 5.086 309 HH22 ARG 41 HH22 ARG 41 2.949 -17.377 4.795 310 H HIS 42 H HIS 42 1.812 -8.902 1.360 311 HA HIS 42 HA HIS 42 2.198 -6.164 1.931 312 HB2 HIS 42 HB2 HIS 42 0.010 -7.507 0.327 313 HB3 HIS 42 HB3 HIS 42 0.291 -5.769 0.361 314 HD1 HIS 42 HD1 HIS 42 0.800 -8.294 -1.891 315 HD2 HIS 42 HD2 HIS 42 3.419 -5.543 -0.202 316 HE1 HIS 42 HE1 HIS 42 2.741 -8.153 -3.472 317 HE2 HIS 42 HE2 HIS 42 4.251 -6.390 -2.499 318 H GLN 43 H GLN 43 0.166 -8.450 3.405 319 HA GLN 43 HA GLN 43 -1.955 -6.917 4.378 320 HB2 GLN 43 HB2 GLN 43 -1.806 -9.376 4.572 321 HB3 GLN 43 HB3 GLN 43 -0.504 -9.205 5.740 322 HG2 GLN 43 HG2 GLN 43 -2.094 -7.995 7.236 323 HG3 GLN 43 HG3 GLN 43 -3.378 -8.367 6.087 324 HE21 GLN 43 HE21 GLN 43 -2.234 -11.018 5.485 325 HE22 GLN 43 HE22 GLN 43 -2.587 -12.004 6.855 326 H VAL 44 H VAL 44 1.221 -7.560 5.922 327 HA VAL 44 HA VAL 44 0.709 -6.011 8.233 328 HB VAL 44 HB VAL 44 3.114 -6.150 8.700 329 HG11 VAL 44 HG11 VAL 44 3.303 -8.602 8.763 330 HG12 VAL 44 HG12 VAL 44 1.930 -8.731 7.662 331 HG13 VAL 44 HG13 VAL 44 1.709 -8.044 9.271 332 HG21 VAL 44 HG21 VAL 44 3.353 -7.388 5.949 333 HG22 VAL 44 HG22 VAL 44 4.639 -7.293 7.151 334 HG23 VAL 44 HG23 VAL 44 3.989 -5.818 6.437 335 H ILE 45 H ILE 45 1.915 -5.122 5.070 336 HA ILE 45 HA ILE 45 3.039 -2.623 5.558 337 HB ILE 45 HB ILE 45 1.305 -3.459 3.215 338 HG12 ILE 45 HG12 ILE 45 3.321 -4.853 3.535 339 HG13 ILE 45 HG13 ILE 45 3.412 -3.901 2.057 340 HG21 ILE 45 HG21 ILE 45 2.373 -1.624 1.973 341 HG22 ILE 45 HG22 ILE 45 3.180 -1.099 3.451 342 HG23 ILE 45 HG23 ILE 45 1.421 -1.030 3.333 343 HD11 ILE 45 HD11 ILE 45 4.883 -2.307 3.176 344 HD12 ILE 45 HD12 ILE 45 5.541 -3.943 3.211 345 HD13 ILE 45 HD13 ILE 45 4.793 -3.263 4.655 346 H ARG 46 H ARG 46 -0.358 -3.523 5.198 347 HA ARG 46 HA ARG 46 -1.447 -0.911 5.279 348 HB2 ARG 46 HB2 ARG 46 -2.497 -3.150 4.506 349 HB3 ARG 46 HB3 ARG 46 -2.902 -3.388 6.200 350 HG2 ARG 46 HG2 ARG 46 -4.178 -1.280 6.172 351 HG3 ARG 46 HG3 ARG 46 -3.795 -1.092 4.459 352 HD2 ARG 46 HD2 ARG 46 -4.859 -3.417 4.169 353 HD3 ARG 46 HD3 ARG 46 -5.532 -3.162 5.779 354 HE ARG 46 HE ARG 46 -6.021 -1.259 3.590 355 HH11 ARG 46 HH11 ARG 46 -7.231 -3.311 6.089 356 HH12 ARG 46 HH12 ARG 46 -8.865 -2.805 5.830 357 HH21 ARG 46 HH21 ARG 46 -8.106 -0.651 3.285 358 HH22 ARG 46 HH22 ARG 46 -9.351 -1.322 4.284 359 H ALA 47 H ALA 47 -0.143 -2.902 7.735 360 HA ALA 47 HA ALA 47 -1.590 -1.585 9.904 361 HB1 ALA 47 HB1 ALA 47 -0.437 -3.144 11.378 362 HB2 ALA 47 HB2 ALA 47 0.538 -3.722 10.023 363 HB3 ALA 47 HB3 ALA 47 -1.203 -4.000 10.039 364 H TYR 48 H TYR 48 1.757 -1.859 8.698 365 HA TYR 48 HA TYR 48 3.133 -0.520 10.676 366 HB2 TYR 48 HB2 TYR 48 3.603 -0.537 7.692 367 HB3 TYR 48 HB3 TYR 48 4.715 0.225 8.820 368 HD1 TYR 48 HD1 TYR 48 5.136 -1.499 10.972 369 HD2 TYR 48 HD2 TYR 48 4.365 -2.582 6.929 370 HE1 TYR 48 HE1 TYR 48 6.279 -3.646 11.334 371 HE2 TYR 48 HE2 TYR 48 5.507 -4.729 7.281 372 HH TYR 48 HH TYR 48 7.289 -5.622 8.837 373 H VAL 49 H VAL 49 1.452 0.966 7.912 374 HA VAL 49 HA VAL 49 2.273 3.597 8.303 375 HB VAL 49 HB VAL 49 0.218 4.275 7.076 376 HG11 VAL 49 HG11 VAL 49 2.218 3.576 5.858 377 HG12 VAL 49 HG12 VAL 49 0.759 3.083 5.000 378 HG13 VAL 49 HG13 VAL 49 1.682 1.895 5.919 379 HG21 VAL 49 HG21 VAL 49 -1.352 2.655 8.008 380 HG22 VAL 49 HG22 VAL 49 -0.471 1.332 7.240 381 HG23 VAL 49 HG23 VAL 49 -1.309 2.527 6.249 382 H MET 50 H MET 50 -0.263 1.803 9.976 383 HA MET 50 HA MET 50 -1.448 4.117 11.203 384 HB2 MET 50 HB2 MET 50 -1.697 1.189 11.931 385 HB3 MET 50 HB3 MET 50 -2.710 2.482 12.560 386 HG2 MET 50 HG2 MET 50 -3.444 2.940 10.217 387 HG3 MET 50 HG3 MET 50 -2.557 1.500 9.718 388 HE1 MET 50 HE1 MET 50 -4.482 -1.323 11.663 389 HE2 MET 50 HE2 MET 50 -3.104 -0.417 12.286 390 HE3 MET 50 HE3 MET 50 -3.122 -0.949 10.605 391 H SER 51 H SER 51 1.377 2.353 11.830 392 HA SER 51 HA SER 51 1.456 3.201 14.656 393 HB2 SER 51 HB2 SER 51 1.839 0.823 14.369 394 HB3 SER 51 HB3 SER 51 3.100 1.131 13.176 395 HG SER 51 HG SER 51 3.139 1.551 15.966 396 H ASN 52 H ASN 52 3.029 3.617 11.562 397 HA ASN 52 HA ASN 52 5.270 5.063 12.775 398 HB2 ASN 52 HB2 ASN 52 4.755 4.324 9.884 399 HB3 ASN 52 HB3 ASN 52 6.225 5.075 10.501 400 HD21 ASN 52 HD21 ASN 52 5.909 2.536 9.145 401 HD22 ASN 52 HD22 ASN 52 6.520 1.333 10.221 402 H TYR 53 H TYR 53 2.339 5.721 10.975 403 HA TYR 53 HA TYR 53 3.097 8.575 10.819 404 HB2 TYR 53 HB2 TYR 53 1.305 7.035 8.921 405 HB3 TYR 53 HB3 TYR 53 1.668 8.756 8.819 406 HD1 TYR 53 HD1 TYR 53 4.469 9.033 9.141 407 HD2 TYR 53 HD2 TYR 53 2.370 5.869 7.205 408 HE1 TYR 53 HE1 TYR 53 6.454 8.556 7.780 409 HE2 TYR 53 HE2 TYR 53 4.357 5.388 5.839 410 HH TYR 53 HH TYR 53 7.378 6.454 6.557 411 H THR 54 H THR 54 1.280 10.111 10.880 412 HA THR 54 HA THR 54 -0.962 9.130 12.550 413 HB THR 54 HB THR 54 -1.041 11.443 13.535 414 HG1 THR 54 HG1 THR 54 0.350 12.917 12.885 415 HG21 THR 54 HG21 THR 54 0.012 9.604 14.763 416 HG22 THR 54 HG22 THR 54 0.870 11.119 15.048 417 HG23 THR 54 HG23 THR 54 1.541 9.919 13.944 418 H ASP 55 H ASP 55 -0.009 11.245 9.889 419 HA ASP 55 HA ASP 55 -2.596 12.445 9.592 420 HB2 ASP 55 HB2 ASP 55 -0.445 13.494 8.819 421 HB3 ASP 55 HB3 ASP 55 -0.394 12.308 7.518 422 H HIS 56 H HIS 56 -4.179 12.060 8.004 423 HA HIS 56 HA HIS 56 -4.662 9.306 7.498 424 HB2 HIS 56 HB2 HIS 56 -6.107 11.767 6.489 425 HB3 HIS 56 HB3 HIS 56 -6.698 10.119 6.303 426 HD1 HIS 56 HD1 HIS 56 -8.118 9.254 8.171 427 HD2 HIS 56 HD2 HIS 56 -5.868 12.548 9.329 428 HE1 HIS 56 HE1 HIS 56 -8.873 9.799 10.498 429 HE2 HIS 56 HE2 HIS 56 -7.638 11.899 11.099 430 H GLN 57 H GLN 57 -3.474 11.926 5.423 431 HA GLN 57 HA GLN 57 -3.714 10.474 2.983 432 HB2 GLN 57 HB2 GLN 57 -2.157 12.921 3.779 433 HB3 GLN 57 HB3 GLN 57 -1.947 12.198 2.190 434 HG2 GLN 57 HG2 GLN 57 -3.515 14.012 2.051 435 HG3 GLN 57 HG3 GLN 57 -4.351 12.490 1.759 436 HE21 GLN 57 HE21 GLN 57 -5.857 11.759 3.264 437 HE22 GLN 57 HE22 GLN 57 -6.480 12.789 4.501 438 H LEU 58 H LEU 58 -1.504 10.175 5.566 439 HA LEU 58 HA LEU 58 0.440 8.740 3.899 440 HB2 LEU 58 HB2 LEU 58 0.470 9.401 6.850 441 HB3 LEU 58 HB3 LEU 58 1.764 8.583 5.990 442 HG LEU 58 HG LEU 58 0.835 11.422 5.488 443 HD11 LEU 58 HD11 LEU 58 3.353 10.384 6.785 444 HD12 LEU 58 HD12 LEU 58 2.017 11.192 7.606 445 HD13 LEU 58 HD13 LEU 58 2.990 12.074 6.430 446 HD21 LEU 58 HD21 LEU 58 1.642 10.398 3.440 447 HD22 LEU 58 HD22 LEU 58 3.102 9.848 4.262 448 HD23 LEU 58 HD23 LEU 58 2.815 11.574 4.030 449 H ILE 59 H ILE 59 -1.854 8.183 6.538 450 HA ILE 59 HA ILE 59 -1.307 5.342 6.667 451 HB ILE 59 HB ILE 59 -3.548 6.945 7.919 452 HG12 ILE 59 HG12 ILE 59 -0.925 5.992 9.114 453 HG13 ILE 59 HG13 ILE 59 -1.315 7.657 8.694 454 HG21 ILE 59 HG21 ILE 59 -3.850 5.028 9.408 455 HG22 ILE 59 HG22 ILE 59 -2.603 4.141 8.533 456 HG23 ILE 59 HG23 ILE 59 -4.109 4.574 7.723 457 HD11 ILE 59 HD11 ILE 59 -2.704 5.993 10.786 458 HD12 ILE 59 HD12 ILE 59 -3.098 7.660 10.365 459 HD13 ILE 59 HD13 ILE 59 -1.532 7.276 11.079 460 H GLU 60 H GLU 60 -4.222 7.231 5.869 461 HA GLU 60 HA GLU 60 -5.781 5.003 5.149 462 HB2 GLU 60 HB2 GLU 60 -6.616 7.235 5.917 463 HB3 GLU 60 HB3 GLU 60 -6.214 7.880 4.333 464 HG2 GLU 60 HG2 GLU 60 -7.798 6.310 3.303 465 HG3 GLU 60 HG3 GLU 60 -8.211 5.695 4.904 466 H THR 61 H THR 61 -3.750 7.138 3.193 467 HA THR 61 HA THR 61 -4.591 6.401 0.631 468 HB THR 61 HB THR 61 -1.781 7.045 1.574 469 HG1 THR 61 HG1 THR 61 -2.293 9.107 1.057 470 HG21 THR 61 HG21 THR 61 -1.695 5.847 -0.563 471 HG22 THR 61 HG22 THR 61 -1.277 7.546 -0.783 472 HG23 THR 61 HG23 THR 61 -2.876 6.961 -1.248 473 H THR 62 H THR 62 -2.034 4.892 2.621 474 HA THR 62 HA THR 62 -1.576 2.677 0.914 475 HB THR 62 HB THR 62 -1.146 2.829 3.914 476 HG1 THR 62 HG1 THR 62 0.422 4.152 3.418 477 HG21 THR 62 HG21 THR 62 0.557 1.096 3.538 478 HG22 THR 62 HG22 THR 62 0.130 1.042 1.827 479 HG23 THR 62 HG23 THR 62 -1.039 0.531 3.046 480 H ASN 63 H ASN 63 -3.674 3.127 3.744 481 HA ASN 63 HA ASN 63 -4.735 0.597 4.057 482 HB2 ASN 63 HB2 ASN 63 -5.235 2.427 5.583 483 HB3 ASN 63 HB3 ASN 63 -6.114 3.279 4.324 484 HD21 ASN 63 HD21 ASN 63 -8.178 2.584 3.756 485 HD22 ASN 63 HD22 ASN 63 -9.068 1.474 4.737 486 H ARG 64 H ARG 64 -5.747 3.113 1.778 487 HA ARG 64 HA ARG 64 -7.888 1.612 0.619 488 HB2 ARG 64 HB2 ARG 64 -7.843 4.056 0.566 489 HB3 ARG 64 HB3 ARG 64 -6.370 4.028 -0.392 490 HG2 ARG 64 HG2 ARG 64 -7.606 2.953 -2.234 491 HG3 ARG 64 HG3 ARG 64 -9.083 3.034 -1.270 492 HD2 ARG 64 HD2 ARG 64 -8.940 5.469 -1.220 493 HD3 ARG 64 HD3 ARG 64 -7.427 5.414 -2.123 494 HE ARG 64 HE ARG 64 -9.682 4.178 -3.448 495 HH11 ARG 64 HH11 ARG 64 -7.865 7.066 -2.987 496 HH12 ARG 64 HH12 ARG 64 -8.411 7.777 -4.465 497 HH21 ARG 64 HH21 ARG 64 -10.385 5.113 -5.351 498 HH22 ARG 64 HH22 ARG 64 -9.825 6.697 -5.772 499 H ALA 65 H ALA 65 -4.552 2.333 -0.432 500 HA ALA 65 HA ALA 65 -4.606 1.113 -2.936 501 HB1 ALA 65 HB1 ALA 65 -2.795 2.579 -2.129 502 HB2 ALA 65 HB2 ALA 65 -2.186 1.077 -2.826 503 HB3 ALA 65 HB3 ALA 65 -2.234 1.282 -1.073 504 H ILE 66 H ILE 66 -3.654 -0.335 0.188 505 HA ILE 66 HA ILE 66 -3.020 -2.892 -0.763 506 HB ILE 66 HB ILE 66 -4.152 -2.122 1.941 507 HG12 ILE 66 HG12 ILE 66 -2.035 -0.980 1.395 508 HG13 ILE 66 HG13 ILE 66 -1.813 -2.148 2.691 509 HG21 ILE 66 HG21 ILE 66 -4.439 -4.503 1.562 510 HG22 ILE 66 HG22 ILE 66 -3.165 -4.229 2.750 511 HG23 ILE 66 HG23 ILE 66 -2.748 -4.660 1.091 512 HD11 ILE 66 HD11 ILE 66 0.038 -2.193 1.124 513 HD12 ILE 66 HD12 ILE 66 -1.069 -2.558 -0.198 514 HD13 ILE 66 HD13 ILE 66 -0.835 -3.724 1.106 515 H SER 67 H SER 67 -6.141 -1.600 0.373 516 HA SER 67 HA SER 67 -7.705 -3.904 0.142 517 HB2 SER 67 HB2 SER 67 -8.520 -1.033 -0.418 518 HB3 SER 67 HB3 SER 67 -9.637 -2.373 -0.158 519 HG SER 67 HG SER 67 -8.826 -2.574 1.950 520 H LEU 68 H LEU 68 -7.021 -1.401 -2.284 521 HA LEU 68 HA LEU 68 -8.509 -2.456 -4.397 522 HB2 LEU 68 HB2 LEU 68 -5.952 -0.842 -4.490 523 HB3 LEU 68 HB3 LEU 68 -6.998 -1.138 -5.868 524 HG LEU 68 HG LEU 68 -7.762 0.395 -3.374 525 HD11 LEU 68 HD11 LEU 68 -6.195 1.623 -4.786 526 HD12 LEU 68 HD12 LEU 68 -7.801 2.348 -4.840 527 HD13 LEU 68 HD13 LEU 68 -7.233 1.360 -6.186 528 HD21 LEU 68 HD21 LEU 68 -9.670 -0.799 -4.306 529 HD22 LEU 68 HD22 LEU 68 -9.328 -0.133 -5.904 530 HD23 LEU 68 HD23 LEU 68 -9.823 0.934 -4.588 531 H TYR 69 H TYR 69 -5.077 -3.011 -3.578 532 HA TYR 69 HA TYR 69 -4.524 -4.725 -5.752 533 HB2 TYR 69 HB2 TYR 69 -3.122 -3.795 -3.386 534 HB3 TYR 69 HB3 TYR 69 -2.786 -5.499 -3.677 535 HD1 TYR 69 HD1 TYR 69 -3.151 -2.410 -5.789 536 HD2 TYR 69 HD2 TYR 69 -0.848 -5.882 -4.884 537 HE1 TYR 69 HE1 TYR 69 -1.547 -1.804 -7.550 538 HE2 TYR 69 HE2 TYR 69 0.758 -5.276 -6.642 539 HH TYR 69 HH TYR 69 0.805 -2.227 -8.119 540 H MET 70 H MET 70 -5.776 -5.418 -2.510 541 HA MET 70 HA MET 70 -5.662 -8.243 -2.704 542 HB2 MET 70 HB2 MET 70 -7.452 -6.423 -1.085 543 HB3 MET 70 HB3 MET 70 -7.503 -8.177 -0.953 544 HG2 MET 70 HG2 MET 70 -5.123 -8.167 -0.298 545 HG3 MET 70 HG3 MET 70 -5.143 -6.404 -0.350 546 HE1 MET 70 HE1 MET 70 -4.315 -8.287 2.207 547 HE2 MET 70 HE2 MET 70 -5.030 -7.337 3.509 548 HE3 MET 70 HE3 MET 70 -4.172 -6.528 2.197 549 H ALA 71 H ALA 71 -8.319 -5.963 -3.411 550 HA ALA 71 HA ALA 71 -10.141 -7.929 -4.354 551 HB1 ALA 71 HB1 ALA 71 -11.426 -6.045 -5.219 552 HB2 ALA 71 HB2 ALA 71 -10.044 -4.976 -4.979 553 HB3 ALA 71 HB3 ALA 71 -10.844 -5.708 -3.590 554 H ASN 72 H ASN 72 -7.655 -6.015 -5.927 555 HA ASN 72 HA ASN 72 -8.301 -6.602 -8.621 556 HB2 ASN 72 HB2 ASN 72 -6.779 -4.760 -7.857 557 HB3 ASN 72 HB3 ASN 72 -5.575 -5.970 -7.445 558 HD21 ASN 72 HD21 ASN 72 -5.394 -3.774 -9.309 559 HD22 ASN 72 HD22 ASN 72 -5.032 -4.465 -10.849 560 H LEU 73 H LEU 73 -5.807 -8.006 -6.476 561 HA LEU 73 HA LEU 73 -4.894 -10.012 -8.187 562 HB2 LEU 73 HB2 LEU 73 -3.949 -9.205 -5.933 563 HB3 LEU 73 HB3 LEU 73 -5.071 -10.319 -5.186 564 HG LEU 73 HG LEU 73 -2.723 -11.176 -5.387 565 HD11 LEU 73 HD11 LEU 73 -4.588 -12.743 -5.144 566 HD12 LEU 73 HD12 LEU 73 -3.300 -13.411 -6.143 567 HD13 LEU 73 HD13 LEU 73 -4.769 -12.796 -6.898 568 HD21 LEU 73 HD21 LEU 73 -2.176 -10.175 -7.549 569 HD22 LEU 73 HD22 LEU 73 -3.337 -11.238 -8.343 570 HD23 LEU 73 HD23 LEU 73 -1.910 -11.917 -7.564 571 H GLU 74 H GLU 74 -7.512 -10.119 -5.777 572 HA GLU 74 HA GLU 74 -8.250 -12.781 -5.985 573 HB2 GLU 74 HB2 GLU 74 -9.223 -11.370 -4.292 574 HB3 GLU 74 HB3 GLU 74 -9.963 -10.335 -5.505 575 HG2 GLU 74 HG2 GLU 74 -11.656 -11.716 -4.541 576 HG3 GLU 74 HG3 GLU 74 -11.396 -12.233 -6.203 577 H HIS 75 H HIS 75 -9.828 -10.086 -7.790 578 HA HIS 75 HA HIS 75 -11.324 -11.860 -9.418 579 HB2 HIS 75 HB2 HIS 75 -11.990 -9.501 -9.011 580 HB3 HIS 75 HB3 HIS 75 -10.645 -8.974 -10.020 581 HD1 HIS 75 HD1 HIS 75 -11.163 -8.693 -12.435 582 HD2 HIS 75 HD2 HIS 75 -13.897 -11.188 -10.547 583 HE1 HIS 75 HE1 HIS 75 -12.894 -9.236 -14.174 584 HE2 HIS 75 HE2 HIS 75 -14.438 -10.880 -13.055 585 H HIS 76 H HIS 76 -8.153 -10.384 -9.832 586 HA HIS 76 HA HIS 76 -7.786 -10.957 -12.567 587 HB2 HIS 76 HB2 HIS 76 -6.334 -9.501 -11.051 588 HB3 HIS 76 HB3 HIS 76 -5.591 -10.992 -10.485 589 HD1 HIS 76 HD1 HIS 76 -5.359 -8.480 -13.100 590 HD2 HIS 76 HD2 HIS 76 -4.246 -12.459 -12.666 591 HE1 HIS 76 HE1 HIS 76 -3.671 -8.903 -14.901 592 HE2 HIS 76 HE2 HIS 76 -3.164 -11.356 -14.741 593 H HIS 77 H HIS 77 -7.215 -12.891 -9.662 594 HA HIS 77 HA HIS 77 -6.326 -15.209 -11.153 595 HB2 HIS 77 HB2 HIS 77 -5.533 -14.758 -8.838 596 HB3 HIS 77 HB3 HIS 77 -7.177 -14.982 -8.250 597 HD1 HIS 77 HD1 HIS 77 -4.257 -16.889 -9.636 598 HD2 HIS 77 HD2 HIS 77 -7.993 -17.638 -7.980 599 HE1 HIS 77 HE1 HIS 77 -4.313 -19.354 -9.196 600 HE2 HIS 77 HE2 HIS 77 -6.628 -19.806 -8.332 601 H HIS 78 H HIS 78 -9.316 -13.932 -9.930 602 HA HIS 78 HA HIS 78 -10.828 -16.381 -10.328 603 HB2 HIS 78 HB2 HIS 78 -11.211 -14.551 -8.526 604 HB3 HIS 78 HB3 HIS 78 -11.977 -13.634 -9.815 605 HD1 HIS 78 HD1 HIS 78 -12.441 -16.601 -7.612 606 HD2 HIS 78 HD2 HIS 78 -14.520 -14.583 -10.585 607 HE1 HIS 78 HE1 HIS 78 -14.790 -17.455 -7.478 608 HE2 HIS 78 HE2 HIS 78 -16.066 -16.095 -9.162 609 H HIS 79 H HIS 79 -10.284 -16.602 -12.631 610 HA HIS 79 HA HIS 79 -10.730 -14.611 -14.560 611 HB2 HIS 79 HB2 HIS 79 -9.314 -16.611 -14.908 612 HB3 HIS 79 HB3 HIS 79 -10.758 -17.616 -14.948 613 HD1 HIS 79 HD1 HIS 79 -11.992 -17.785 -17.141 614 HD2 HIS 79 HD2 HIS 79 -9.029 -14.868 -17.187 615 HE1 HIS 79 HE1 HIS 79 -11.787 -17.069 -19.538 616 HE2 HIS 79 HE2 HIS 79 -10.075 -15.228 -19.526 617 H HIS 80 H HIS 80 -12.783 -17.441 -13.798 618 HA HIS 80 HA HIS 80 -14.985 -16.288 -15.334 619 HB2 HIS 80 HB2 HIS 80 -14.584 -18.677 -15.590 620 HB3 HIS 80 HB3 HIS 80 -14.764 -18.927 -13.857 621 HD1 HIS 80 HD1 HIS 80 -16.780 -18.039 -16.918 622 HD2 HIS 80 HD2 HIS 80 -17.369 -19.256 -12.991 623 HE1 HIS 80 HE1 HIS 80 -19.228 -18.559 -16.738 624 HE2 HIS 80 HE2 HIS 80 -19.520 -19.462 -14.409 Start of MODEL 5 1 H1 MET 1 H1 MET 1 19.114 -7.184 1.169 2 H2 MET 1 H2 MET 1 17.509 -6.659 1.106 3 H3 MET 1 H3 MET 1 18.700 -5.839 0.232 4 HA MET 1 HA MET 1 17.380 -7.195 -1.230 5 HB2 MET 1 HB2 MET 1 20.162 -8.332 -0.833 6 HB3 MET 1 HB3 MET 1 19.198 -8.458 -2.297 7 HG2 MET 1 HG2 MET 1 20.301 -5.927 -1.093 8 HG3 MET 1 HG3 MET 1 20.880 -6.743 -2.544 9 HE1 MET 1 HE1 MET 1 17.908 -6.226 -5.034 10 HE2 MET 1 HE2 MET 1 18.259 -7.623 -4.015 11 HE3 MET 1 HE3 MET 1 19.568 -6.791 -4.858 12 H ALA 2 H ALA 2 15.745 -8.507 -0.640 13 HA ALA 2 HA ALA 2 16.265 -11.306 -0.271 14 HB1 ALA 2 HB1 ALA 2 16.572 -10.557 2.046 15 HB2 ALA 2 HB2 ALA 2 15.141 -11.576 1.886 16 HB3 ALA 2 HB3 ALA 2 14.967 -9.827 2.025 17 H GLY 3 H GLY 3 15.008 -11.478 -2.152 18 HA2 GLY 3 HA2 GLY 3 13.025 -11.888 -3.283 19 HA3 GLY 3 HA3 GLY 3 12.148 -11.518 -1.805 20 H ASP 4 H ASP 4 12.410 -9.063 -1.207 21 HA ASP 4 HA ASP 4 11.841 -6.912 -1.625 22 HB2 ASP 4 HB2 ASP 4 13.518 -7.304 -4.117 23 HB3 ASP 4 HB3 ASP 4 13.111 -5.764 -3.364 24 HA PRO 5 HA PRO 5 8.381 -8.109 -4.529 25 HB2 PRO 5 HB2 PRO 5 6.405 -7.114 -2.896 26 HB3 PRO 5 HB3 PRO 5 7.007 -8.774 -2.817 27 HG2 PRO 5 HG2 PRO 5 7.724 -6.412 -1.111 28 HG3 PRO 5 HG3 PRO 5 7.425 -8.094 -0.629 29 HD2 PRO 5 HD2 PRO 5 9.921 -7.103 -0.864 30 HD3 PRO 5 HD3 PRO 5 9.543 -8.789 -1.270 31 H MET 6 H MET 6 8.402 -5.147 -2.511 32 HA MET 6 HA MET 6 8.082 -2.946 -2.980 33 HB2 MET 6 HB2 MET 6 9.340 -3.754 -5.613 34 HB3 MET 6 HB3 MET 6 9.158 -2.098 -5.048 35 HG2 MET 6 HG2 MET 6 10.593 -2.627 -3.114 36 HG3 MET 6 HG3 MET 6 10.813 -4.258 -3.749 37 HE1 MET 6 HE1 MET 6 13.455 -3.983 -3.683 38 HE2 MET 6 HE2 MET 6 13.279 -2.354 -3.028 39 HE3 MET 6 HE3 MET 6 14.317 -2.635 -4.427 40 H THR 7 H THR 7 5.898 -4.868 -3.790 41 HA THR 7 HA THR 7 4.648 -4.111 -6.173 42 HB THR 7 HB THR 7 2.541 -4.958 -5.170 43 HG1 THR 7 HG1 THR 7 3.495 -5.916 -2.856 44 HG21 THR 7 HG21 THR 7 3.310 -7.251 -4.746 45 HG22 THR 7 HG22 THR 7 4.963 -6.668 -4.559 46 HG23 THR 7 HG23 THR 7 4.157 -6.546 -6.125 47 H PHE 8 H PHE 8 3.752 -2.985 -2.888 48 HA PHE 8 HA PHE 8 2.035 -0.933 -3.549 49 HB2 PHE 8 HB2 PHE 8 2.414 -1.645 -1.247 50 HB3 PHE 8 HB3 PHE 8 4.059 -1.025 -1.293 51 HD1 PHE 8 HD1 PHE 8 0.492 -0.023 -1.362 52 HD2 PHE 8 HD2 PHE 8 4.520 1.237 -0.798 53 HE1 PHE 8 HE1 PHE 8 -0.307 2.139 -0.513 54 HE2 PHE 8 HE2 PHE 8 3.723 3.407 0.052 55 HZ PHE 8 HZ PHE 8 1.306 3.860 0.193 56 H TYR 9 H TYR 9 5.566 -0.773 -3.324 57 HA TYR 9 HA TYR 9 5.948 1.938 -3.893 58 HB2 TYR 9 HB2 TYR 9 7.761 0.594 -3.052 59 HB3 TYR 9 HB3 TYR 9 7.671 -0.492 -4.430 60 HD1 TYR 9 HD1 TYR 9 8.513 3.013 -3.478 61 HD2 TYR 9 HD2 TYR 9 8.998 -0.109 -6.337 62 HE1 TYR 9 HE1 TYR 9 10.246 4.330 -4.622 63 HE2 TYR 9 HE2 TYR 9 10.732 1.202 -7.483 64 HH TYR 9 HH TYR 9 12.196 3.910 -6.107 65 H ASN 10 H ASN 10 5.838 -0.849 -6.108 66 HA ASN 10 HA ASN 10 6.320 0.527 -8.498 67 HB2 ASN 10 HB2 ASN 10 6.452 -1.905 -8.332 68 HB3 ASN 10 HB3 ASN 10 4.728 -2.005 -8.006 69 HD21 ASN 10 HD21 ASN 10 6.098 0.167 -10.384 70 HD22 ASN 10 HD22 ASN 10 5.450 -0.642 -11.761 71 H PHE 11 H PHE 11 3.299 -0.093 -6.773 72 HA PHE 11 HA PHE 11 1.521 0.863 -8.752 73 HB2 PHE 11 HB2 PHE 11 0.819 -0.536 -6.851 74 HB3 PHE 11 HB3 PHE 11 1.186 0.778 -5.740 75 HD1 PHE 11 HD1 PHE 11 -1.093 -0.351 -8.410 76 HD2 PHE 11 HD2 PHE 11 -0.347 2.586 -5.414 77 HE1 PHE 11 HE1 PHE 11 -3.393 0.486 -8.660 78 HE2 PHE 11 HE2 PHE 11 -2.649 3.422 -5.660 79 HZ PHE 11 HZ PHE 11 -4.173 2.373 -7.285 80 H ILE 12 H ILE 12 2.883 2.498 -5.879 81 HA ILE 12 HA ILE 12 1.374 4.870 -6.253 82 HB ILE 12 HB ILE 12 2.262 4.106 -4.065 83 HG12 ILE 12 HG12 ILE 12 2.922 6.372 -3.242 84 HG13 ILE 12 HG13 ILE 12 3.058 6.908 -4.913 85 HG21 ILE 12 HG21 ILE 12 4.484 3.406 -4.761 86 HG22 ILE 12 HG22 ILE 12 4.587 4.586 -3.456 87 HG23 ILE 12 HG23 ILE 12 4.920 5.077 -5.117 88 HD11 ILE 12 HD11 ILE 12 0.686 6.495 -5.246 89 HD12 ILE 12 HD12 ILE 12 0.959 7.602 -3.901 90 HD13 ILE 12 HD13 ILE 12 0.544 5.917 -3.586 91 H MET 13 H MET 13 4.468 3.889 -7.564 92 HA MET 13 HA MET 13 5.736 6.334 -7.963 93 HB2 MET 13 HB2 MET 13 5.766 3.884 -9.727 94 HB3 MET 13 HB3 MET 13 6.826 5.266 -9.966 95 HG2 MET 13 HG2 MET 13 7.651 4.890 -7.614 96 HG3 MET 13 HG3 MET 13 6.767 3.365 -7.641 97 HE1 MET 13 HE1 MET 13 7.158 2.646 -10.793 98 HE2 MET 13 HE2 MET 13 7.269 1.436 -9.517 99 HE3 MET 13 HE3 MET 13 8.562 1.581 -10.708 100 H GLY 14 H GLY 14 3.108 4.920 -9.852 101 HA2 GLY 14 HA2 GLY 14 3.286 6.524 -12.146 102 HA3 GLY 14 HA3 GLY 14 1.823 5.757 -11.560 103 H PHE 15 H PHE 15 1.981 7.279 -8.991 104 HA PHE 15 HA PHE 15 0.591 9.657 -9.972 105 HB2 PHE 15 HB2 PHE 15 0.827 8.587 -7.147 106 HB3 PHE 15 HB3 PHE 15 -0.254 9.867 -7.689 107 HD1 PHE 15 HD1 PHE 15 -2.137 9.319 -9.234 108 HD2 PHE 15 HD2 PHE 15 0.244 6.291 -7.409 109 HE1 PHE 15 HE1 PHE 15 -3.870 7.648 -9.744 110 HE2 PHE 15 HE2 PHE 15 -1.489 4.622 -7.919 111 HZ PHE 15 HZ PHE 15 -3.546 5.296 -9.088 112 H GLN 16 H GLN 16 3.703 8.943 -9.069 113 HA GLN 16 HA GLN 16 4.317 11.355 -7.591 114 HB2 GLN 16 HB2 GLN 16 5.459 8.963 -7.562 115 HB3 GLN 16 HB3 GLN 16 6.413 9.629 -8.873 116 HG2 GLN 16 HG2 GLN 16 6.189 10.971 -6.187 117 HG3 GLN 16 HG3 GLN 16 7.395 9.739 -6.534 118 HE21 GLN 16 HE21 GLN 16 6.470 13.027 -6.985 119 HE22 GLN 16 HE22 GLN 16 7.909 13.539 -7.785 120 H ASN 17 H ASN 17 3.851 10.612 -10.847 121 HA ASN 17 HA ASN 17 5.816 12.007 -12.224 122 HB2 ASN 17 HB2 ASN 17 4.123 10.533 -13.276 123 HB3 ASN 17 HB3 ASN 17 2.896 11.760 -12.993 124 HD21 ASN 17 HD21 ASN 17 2.907 13.636 -14.261 125 HD22 ASN 17 HD22 ASN 17 3.836 13.748 -15.713 126 H ASP 18 H ASP 18 3.006 13.280 -10.540 127 HA ASP 18 HA ASP 18 3.875 16.012 -11.245 128 HB2 ASP 18 HB2 ASP 18 1.062 14.918 -11.118 129 HB3 ASP 18 HB3 ASP 18 1.407 16.644 -11.050 130 H ASN 19 H ASN 19 2.961 17.682 -9.716 131 HA ASN 19 HA ASN 19 3.669 17.093 -7.036 132 HB2 ASN 19 HB2 ASN 19 2.143 19.468 -8.145 133 HB3 ASN 19 HB3 ASN 19 2.868 19.380 -6.540 134 HD21 ASN 19 HD21 ASN 19 3.397 21.206 -8.771 135 HD22 ASN 19 HD22 ASN 19 5.090 21.070 -9.082 136 H THR 20 H THR 20 2.399 15.380 -6.313 137 HA THR 20 HA THR 20 -0.368 16.091 -5.559 138 HB THR 20 HB THR 20 -1.189 13.868 -6.032 139 HG1 THR 20 HG1 THR 20 0.959 12.838 -7.370 140 HG21 THR 20 HG21 THR 20 -1.222 15.389 -7.946 141 HG22 THR 20 HG22 THR 20 -0.944 13.731 -8.479 142 HG23 THR 20 HG23 THR 20 0.401 14.871 -8.405 143 HA PRO 21 HA PRO 21 0.638 14.624 -1.415 144 HB2 PRO 21 HB2 PRO 21 -1.931 13.100 -1.641 145 HB3 PRO 21 HB3 PRO 21 -1.371 14.173 -0.351 146 HG2 PRO 21 HG2 PRO 21 -3.209 15.006 -2.090 147 HG3 PRO 21 HG3 PRO 21 -1.931 16.103 -1.536 148 HD2 PRO 21 HD2 PRO 21 -2.204 14.677 -4.152 149 HD3 PRO 21 HD3 PRO 21 -1.558 16.295 -3.808 150 H PHE 22 H PHE 22 -0.637 12.343 -3.805 151 HA PHE 22 HA PHE 22 0.397 9.958 -2.713 152 HB2 PHE 22 HB2 PHE 22 -0.113 10.636 -5.624 153 HB3 PHE 22 HB3 PHE 22 0.089 9.019 -4.964 154 HD1 PHE 22 HD1 PHE 22 -1.680 7.966 -3.668 155 HD2 PHE 22 HD2 PHE 22 -2.162 11.883 -5.274 156 HE1 PHE 22 HE1 PHE 22 -4.104 7.833 -3.263 157 HE2 PHE 22 HE2 PHE 22 -4.584 11.754 -4.868 158 HZ PHE 22 HZ PHE 22 -5.560 9.729 -3.861 159 H GLY 23 H GLY 23 1.775 12.312 -4.990 160 HA2 GLY 23 HA2 GLY 23 4.189 10.970 -5.548 161 HA3 GLY 23 HA3 GLY 23 3.942 12.707 -5.647 162 H ILE 24 H ILE 24 3.366 13.273 -2.968 163 HA ILE 24 HA ILE 24 5.918 13.351 -1.744 164 HB ILE 24 HB ILE 24 3.207 13.727 -0.441 165 HG12 ILE 24 HG12 ILE 24 3.515 15.252 -2.340 166 HG13 ILE 24 HG13 ILE 24 3.561 16.136 -0.821 167 HG21 ILE 24 HG21 ILE 24 4.430 15.064 1.232 168 HG22 ILE 24 HG22 ILE 24 5.951 14.604 0.465 169 HG23 ILE 24 HG23 ILE 24 4.937 13.375 1.221 170 HD11 ILE 24 HD11 ILE 24 5.944 15.346 -2.486 171 HD12 ILE 24 HD12 ILE 24 6.005 16.211 -0.951 172 HD13 ILE 24 HD13 ILE 24 5.243 16.958 -2.353 173 H LEU 25 H LEU 25 3.121 11.229 -1.280 174 HA LEU 25 HA LEU 25 4.103 9.676 0.846 175 HB2 LEU 25 HB2 LEU 25 1.766 9.682 -0.066 176 HB3 LEU 25 HB3 LEU 25 2.336 8.772 -1.445 177 HG LEU 25 HG LEU 25 1.128 7.457 0.357 178 HD11 LEU 25 HD11 LEU 25 3.925 6.542 -0.307 179 HD12 LEU 25 HD12 LEU 25 2.508 6.360 -1.340 180 HD13 LEU 25 HD13 LEU 25 2.582 5.521 0.208 181 HD21 LEU 25 HD21 LEU 25 2.132 8.556 2.301 182 HD22 LEU 25 HD22 LEU 25 3.705 7.881 1.873 183 HD23 LEU 25 HD23 LEU 25 2.382 6.811 2.341 184 H ALA 26 H ALA 26 4.246 9.015 -2.667 185 HA ALA 26 HA ALA 26 5.834 6.744 -2.650 186 HB1 ALA 26 HB1 ALA 26 5.856 8.962 -4.701 187 HB2 ALA 26 HB2 ALA 26 4.710 7.623 -4.645 188 HB3 ALA 26 HB3 ALA 26 6.417 7.307 -4.952 189 H GLU 27 H GLU 27 6.878 10.132 -2.818 190 HA GLU 27 HA GLU 27 9.620 9.823 -3.011 191 HB2 GLU 27 HB2 GLU 27 8.484 11.975 -3.211 192 HB3 GLU 27 HB3 GLU 27 8.030 11.922 -1.514 193 HG2 GLU 27 HG2 GLU 27 10.425 12.020 -0.904 194 HG3 GLU 27 HG3 GLU 27 10.828 12.171 -2.615 195 H HIS 28 H HIS 28 7.639 9.932 -0.055 196 HA HIS 28 HA HIS 28 9.878 9.778 1.715 197 HB2 HIS 28 HB2 HIS 28 7.694 10.835 2.292 198 HB3 HIS 28 HB3 HIS 28 6.965 9.233 2.326 199 HD1 HIS 28 HD1 HIS 28 9.598 11.276 4.130 200 HD2 HIS 28 HD2 HIS 28 7.228 7.911 4.728 201 HE1 HIS 28 HE1 HIS 28 9.904 10.659 6.541 202 HE2 HIS 28 HE2 HIS 28 8.566 8.555 6.851 203 H VAL 29 H VAL 29 7.417 7.368 0.693 204 HA VAL 29 HA VAL 29 8.449 5.270 2.311 205 HB VAL 29 HB VAL 29 7.066 3.741 1.012 206 HG11 VAL 29 HG11 VAL 29 4.876 4.807 1.377 207 HG12 VAL 29 HG12 VAL 29 5.678 6.366 1.572 208 HG13 VAL 29 HG13 VAL 29 5.976 5.070 2.731 209 HG21 VAL 29 HG21 VAL 29 7.489 4.613 -1.228 210 HG22 VAL 29 HG22 VAL 29 6.574 6.071 -0.847 211 HG23 VAL 29 HG23 VAL 29 5.757 4.509 -0.916 212 H SER 30 H SER 30 9.288 6.408 -0.893 213 HA SER 30 HA SER 30 10.905 4.202 -1.673 214 HB2 SER 30 HB2 SER 30 10.181 5.847 -3.324 215 HB3 SER 30 HB3 SER 30 11.061 7.123 -2.485 216 HG SER 30 HG SER 30 12.860 6.475 -3.382 217 H GLU 31 H GLU 31 11.376 6.744 0.587 218 HA GLU 31 HA GLU 31 14.290 6.367 0.652 219 HB2 GLU 31 HB2 GLU 31 13.405 8.671 0.538 220 HB3 GLU 31 HB3 GLU 31 12.540 8.410 2.047 221 HG2 GLU 31 HG2 GLU 31 14.690 8.074 3.197 222 HG3 GLU 31 HG3 GLU 31 15.531 8.399 1.680 223 H ASP 32 H ASP 32 11.797 6.899 3.167 224 HA ASP 32 HA ASP 32 11.354 5.908 5.157 225 HB2 ASP 32 HB2 ASP 32 11.194 3.845 3.815 226 HB3 ASP 32 HB3 ASP 32 12.920 3.574 4.018 227 H LYS 33 H LYS 33 12.423 5.016 7.207 228 HA LYS 33 HA LYS 33 14.915 6.421 7.688 229 HB2 LYS 33 HB2 LYS 33 12.982 6.382 9.295 230 HB3 LYS 33 HB3 LYS 33 13.309 4.680 9.580 231 HG2 LYS 33 HG2 LYS 33 15.476 5.214 10.524 232 HG3 LYS 33 HG3 LYS 33 15.254 6.922 10.134 233 HD2 LYS 33 HD2 LYS 33 13.412 7.093 11.681 234 HD3 LYS 33 HD3 LYS 33 13.438 5.356 11.975 235 HE2 LYS 33 HE2 LYS 33 15.705 5.589 12.948 236 HE3 LYS 33 HE3 LYS 33 15.601 7.333 12.710 237 HZ1 LYS 33 HZ1 LYS 33 13.822 7.464 14.259 238 HZ2 LYS 33 HZ2 LYS 33 15.048 6.558 14.989 239 HZ3 LYS 33 HZ3 LYS 33 13.685 5.781 14.361 240 H ALA 34 H ALA 34 14.339 3.650 6.213 241 HA ALA 34 HA ALA 34 15.648 1.956 5.505 242 HB1 ALA 34 HB1 ALA 34 18.024 1.880 6.050 243 HB2 ALA 34 HB2 ALA 34 17.785 3.105 7.296 244 HB3 ALA 34 HB3 ALA 34 17.525 3.512 5.601 245 H PHE 35 H PHE 35 13.844 1.049 7.044 246 HA PHE 35 HA PHE 35 15.216 -0.828 8.878 247 HB2 PHE 35 HB2 PHE 35 12.434 0.340 9.115 248 HB3 PHE 35 HB3 PHE 35 12.988 -1.032 10.063 249 HD1 PHE 35 HD1 PHE 35 15.550 -0.420 11.036 250 HD2 PHE 35 HD2 PHE 35 12.300 2.248 10.366 251 HE1 PHE 35 HE1 PHE 35 16.457 1.110 12.736 252 HE2 PHE 35 HE2 PHE 35 13.201 3.772 12.064 253 HZ PHE 35 HZ PHE 35 15.280 3.208 13.254 254 HA PRO 36 HA PRO 36 13.196 -3.892 6.223 255 HB2 PRO 36 HB2 PRO 36 14.489 -6.064 7.133 256 HB3 PRO 36 HB3 PRO 36 15.298 -4.873 6.106 257 HG2 PRO 36 HG2 PRO 36 15.501 -5.279 9.057 258 HG3 PRO 36 HG3 PRO 36 16.758 -4.808 7.901 259 HD2 PRO 36 HD2 PRO 36 15.332 -3.068 9.577 260 HD3 PRO 36 HD3 PRO 36 16.285 -2.591 8.158 261 H ARG 37 H ARG 37 11.057 -3.961 6.964 262 HA ARG 37 HA ARG 37 10.531 -5.121 9.611 263 HB2 ARG 37 HB2 ARG 37 8.693 -3.724 7.654 264 HB3 ARG 37 HB3 ARG 37 8.162 -4.415 9.177 265 HG2 ARG 37 HG2 ARG 37 8.393 -2.127 9.585 266 HG3 ARG 37 HG3 ARG 37 9.820 -2.864 10.307 267 HD2 ARG 37 HD2 ARG 37 10.377 -0.811 9.102 268 HD3 ARG 37 HD3 ARG 37 11.157 -2.214 8.373 269 HE ARG 37 HE ARG 37 9.103 -2.082 6.792 270 HH11 ARG 37 HH11 ARG 37 10.830 0.603 8.089 271 HH12 ARG 37 HH12 ARG 37 10.478 1.622 6.742 272 HH21 ARG 37 HH21 ARG 37 8.648 -0.790 5.086 273 HH22 ARG 37 HH22 ARG 37 9.261 0.829 5.045 274 H LEU 38 H LEU 38 10.931 -6.356 6.600 275 HA LEU 38 HA LEU 38 10.256 -8.197 5.442 276 HB2 LEU 38 HB2 LEU 38 8.979 -9.085 8.042 277 HB3 LEU 38 HB3 LEU 38 9.331 -10.105 6.656 278 HG LEU 38 HG LEU 38 11.371 -8.760 8.446 279 HD11 LEU 38 HD11 LEU 38 10.647 -11.674 8.110 280 HD12 LEU 38 HD12 LEU 38 10.277 -10.662 9.507 281 HD13 LEU 38 HD13 LEU 38 11.954 -11.042 9.113 282 HD21 LEU 38 HD21 LEU 38 12.162 -8.855 6.136 283 HD22 LEU 38 HD22 LEU 38 11.798 -10.580 6.069 284 HD23 LEU 38 HD23 LEU 38 13.052 -9.984 7.156 285 H GLU 39 H GLU 39 8.837 -7.513 3.932 286 HA GLU 39 HA GLU 39 6.045 -6.989 4.719 287 HB2 GLU 39 HB2 GLU 39 7.904 -5.116 3.233 288 HB3 GLU 39 HB3 GLU 39 6.161 -4.884 3.329 289 HG2 GLU 39 HG2 GLU 39 6.221 -4.218 5.498 290 HG3 GLU 39 HG3 GLU 39 7.566 -5.278 5.904 291 H GLU 40 H GLU 40 6.770 -9.279 3.450 292 HA GLU 40 HA GLU 40 6.476 -9.166 0.610 293 HB2 GLU 40 HB2 GLU 40 5.966 -11.471 2.513 294 HB3 GLU 40 HB3 GLU 40 6.080 -11.602 0.765 295 HG2 GLU 40 HG2 GLU 40 8.136 -12.351 1.719 296 HG3 GLU 40 HG3 GLU 40 8.429 -10.817 0.899 297 H ARG 41 H ARG 41 4.251 -9.994 3.260 298 HA ARG 41 HA ARG 41 1.957 -9.973 1.469 299 HB2 ARG 41 HB2 ARG 41 2.258 -10.543 4.422 300 HB3 ARG 41 HB3 ARG 41 0.697 -10.518 3.610 301 HG2 ARG 41 HG2 ARG 41 2.983 -12.312 2.794 302 HG3 ARG 41 HG3 ARG 41 1.685 -12.796 3.888 303 HD2 ARG 41 HD2 ARG 41 0.038 -12.537 2.183 304 HD3 ARG 41 HD3 ARG 41 1.182 -11.739 1.108 305 HE ARG 41 HE ARG 41 2.311 -13.891 0.879 306 HH11 ARG 41 HH11 ARG 41 -0.861 -13.973 2.221 307 HH12 ARG 41 HH12 ARG 41 -1.196 -15.557 1.623 308 HH21 ARG 41 HH21 ARG 41 1.880 -15.923 0.126 309 HH22 ARG 41 HH22 ARG 41 0.335 -16.639 0.424 310 H HIS 42 H HIS 42 0.873 -8.196 1.003 311 HA HIS 42 HA HIS 42 1.451 -5.634 1.704 312 HB2 HIS 42 HB2 HIS 42 -1.323 -6.646 1.034 313 HB3 HIS 42 HB3 HIS 42 -0.757 -4.990 0.859 314 HD1 HIS 42 HD1 HIS 42 -0.877 -8.234 -0.859 315 HD2 HIS 42 HD2 HIS 42 1.143 -4.626 -1.286 316 HE1 HIS 42 HE1 HIS 42 0.077 -8.269 -3.174 317 HE2 HIS 42 HE2 HIS 42 1.239 -6.059 -3.439 318 H GLN 43 H GLN 43 -0.768 -7.753 3.444 319 HA GLN 43 HA GLN 43 -2.234 -5.959 4.927 320 HB2 GLN 43 HB2 GLN 43 -2.688 -8.365 4.799 321 HB3 GLN 43 HB3 GLN 43 -1.262 -8.701 5.762 322 HG2 GLN 43 HG2 GLN 43 -3.341 -6.926 6.941 323 HG3 GLN 43 HG3 GLN 43 -3.704 -8.647 6.801 324 HE21 GLN 43 HE21 GLN 43 -2.436 -10.130 7.963 325 HE22 GLN 43 HE22 GLN 43 -1.500 -9.637 9.329 326 H VAL 44 H VAL 44 0.997 -7.248 5.751 327 HA VAL 44 HA VAL 44 1.010 -6.194 8.389 328 HB VAL 44 HB VAL 44 3.417 -6.654 8.423 329 HG11 VAL 44 HG11 VAL 44 3.280 -9.071 8.055 330 HG12 VAL 44 HG12 VAL 44 1.786 -8.850 7.143 331 HG13 VAL 44 HG13 VAL 44 1.836 -8.457 8.862 332 HG21 VAL 44 HG21 VAL 44 4.541 -7.626 6.470 333 HG22 VAL 44 HG22 VAL 44 3.992 -5.982 6.141 334 HG23 VAL 44 HG23 VAL 44 3.095 -7.357 5.499 335 H ILE 45 H ILE 45 1.979 -4.816 5.296 336 HA ILE 45 HA ILE 45 3.539 -2.667 6.164 337 HB ILE 45 HB ILE 45 1.596 -2.689 3.837 338 HG12 ILE 45 HG12 ILE 45 4.549 -3.394 3.930 339 HG13 ILE 45 HG13 ILE 45 3.230 -4.548 3.762 340 HG21 ILE 45 HG21 ILE 45 3.023 -0.927 2.885 341 HG22 ILE 45 HG22 ILE 45 3.992 -0.920 4.358 342 HG23 ILE 45 HG23 ILE 45 2.300 -0.424 4.413 343 HD11 ILE 45 HD11 ILE 45 2.634 -3.541 1.612 344 HD12 ILE 45 HD12 ILE 45 4.298 -4.124 1.632 345 HD13 ILE 45 HD13 ILE 45 3.969 -2.399 1.782 346 H ARG 46 H ARG 46 0.019 -2.906 5.795 347 HA ARG 46 HA ARG 46 -0.725 -0.333 6.574 348 HB2 ARG 46 HB2 ARG 46 -2.301 -1.949 5.629 349 HB3 ARG 46 HB3 ARG 46 -2.142 -2.965 7.053 350 HG2 ARG 46 HG2 ARG 46 -3.161 -1.200 8.425 351 HG3 ARG 46 HG3 ARG 46 -3.330 -0.190 6.985 352 HD2 ARG 46 HD2 ARG 46 -5.432 -1.316 7.521 353 HD3 ARG 46 HD3 ARG 46 -4.797 -1.871 5.973 354 HE ARG 46 HE ARG 46 -3.985 -3.558 8.126 355 HH11 ARG 46 HH11 ARG 46 -6.613 -2.873 6.005 356 HH12 ARG 46 HH12 ARG 46 -7.294 -4.453 6.176 357 HH21 ARG 46 HH21 ARG 46 -4.868 -5.575 8.317 358 HH22 ARG 46 HH22 ARG 46 -6.321 -5.962 7.458 359 H ALA 47 H ALA 47 0.078 -3.162 8.539 360 HA ALA 47 HA ALA 47 -0.708 -2.076 11.042 361 HB1 ALA 47 HB1 ALA 47 1.307 -4.257 10.509 362 HB2 ALA 47 HB2 ALA 47 -0.440 -4.487 10.604 363 HB3 ALA 47 HB3 ALA 47 0.456 -3.951 12.025 364 H TYR 48 H TYR 48 2.312 -1.937 9.223 365 HA TYR 48 HA TYR 48 3.909 -0.929 11.378 366 HB2 TYR 48 HB2 TYR 48 4.422 -0.736 8.398 367 HB3 TYR 48 HB3 TYR 48 5.606 -0.483 9.674 368 HD1 TYR 48 HD1 TYR 48 5.172 -2.721 11.488 369 HD2 TYR 48 HD2 TYR 48 5.051 -2.634 7.232 370 HE1 TYR 48 HE1 TYR 48 5.756 -5.110 11.424 371 HE2 TYR 48 HE2 TYR 48 5.628 -5.018 7.162 372 HH TYR 48 HH TYR 48 6.738 -6.683 8.566 373 H VAL 49 H VAL 49 2.464 0.641 8.501 374 HA VAL 49 HA VAL 49 3.375 3.226 9.036 375 HB VAL 49 HB VAL 49 1.557 4.044 7.579 376 HG11 VAL 49 HG11 VAL 49 3.616 3.196 6.580 377 HG12 VAL 49 HG12 VAL 49 2.229 2.833 5.553 378 HG13 VAL 49 HG13 VAL 49 2.946 1.564 6.547 379 HG21 VAL 49 HG21 VAL 49 -0.229 2.538 8.305 380 HG22 VAL 49 HG22 VAL 49 0.613 1.169 7.575 381 HG23 VAL 49 HG23 VAL 49 -0.013 2.466 6.556 382 H MET 50 H MET 50 0.443 1.602 10.222 383 HA MET 50 HA MET 50 -0.673 3.921 11.461 384 HB2 MET 50 HB2 MET 50 -1.154 0.994 12.056 385 HB3 MET 50 HB3 MET 50 -2.137 2.324 12.657 386 HG2 MET 50 HG2 MET 50 -2.699 2.912 10.320 387 HG3 MET 50 HG3 MET 50 -1.787 1.505 9.777 388 HE1 MET 50 HE1 MET 50 -3.889 -1.397 11.503 389 HE2 MET 50 HE2 MET 50 -2.499 -0.539 12.172 390 HE3 MET 50 HE3 MET 50 -2.493 -1.054 10.484 391 H SER 51 H SER 51 1.845 1.762 12.396 392 HA SER 51 HA SER 51 1.695 2.249 15.228 393 HB2 SER 51 HB2 SER 51 2.733 0.200 14.477 394 HB3 SER 51 HB3 SER 51 3.900 1.092 13.501 395 HG SER 51 HG SER 51 4.140 0.335 16.019 396 H ASN 52 H ASN 52 3.615 3.591 12.561 397 HA ASN 52 HA ASN 52 5.051 5.353 14.409 398 HB2 ASN 52 HB2 ASN 52 5.438 4.661 11.503 399 HB3 ASN 52 HB3 ASN 52 6.292 6.004 12.250 400 HD21 ASN 52 HD21 ASN 52 5.546 3.049 13.978 401 HD22 ASN 52 HD22 ASN 52 7.177 2.501 14.093 402 H TYR 53 H TYR 53 2.938 5.678 11.531 403 HA TYR 53 HA TYR 53 3.169 8.599 11.757 404 HB2 TYR 53 HB2 TYR 53 2.070 6.906 9.498 405 HB3 TYR 53 HB3 TYR 53 2.264 8.655 9.467 406 HD1 TYR 53 HD1 TYR 53 4.588 9.631 9.596 407 HD2 TYR 53 HD2 TYR 53 3.901 5.468 9.000 408 HE1 TYR 53 HE1 TYR 53 6.896 9.368 8.789 409 HE2 TYR 53 HE2 TYR 53 6.209 5.197 8.193 410 HH TYR 53 HH TYR 53 8.591 7.546 8.628 411 H THR 54 H THR 54 1.638 9.699 12.780 412 HA THR 54 HA THR 54 -1.106 8.653 12.918 413 HB THR 54 HB THR 54 -1.530 10.380 14.607 414 HG1 THR 54 HG1 THR 54 -0.216 12.067 14.088 415 HG21 THR 54 HG21 THR 54 -0.634 8.237 15.367 416 HG22 THR 54 HG22 THR 54 -0.038 9.556 16.375 417 HG23 THR 54 HG23 THR 54 1.012 8.836 15.153 418 H ASP 55 H ASP 55 -1.493 9.127 10.639 419 HA ASP 55 HA ASP 55 -2.662 11.746 10.284 420 HB2 ASP 55 HB2 ASP 55 -0.338 12.184 9.618 421 HB3 ASP 55 HB3 ASP 55 -0.404 10.850 8.468 422 H HIS 56 H HIS 56 -4.498 11.548 9.146 423 HA HIS 56 HA HIS 56 -5.409 9.030 8.284 424 HB2 HIS 56 HB2 HIS 56 -7.007 10.669 9.017 425 HB3 HIS 56 HB3 HIS 56 -6.507 11.799 7.759 426 HD1 HIS 56 HD1 HIS 56 -7.834 11.733 5.648 427 HD2 HIS 56 HD2 HIS 56 -8.271 8.247 7.874 428 HE1 HIS 56 HE1 HIS 56 -9.527 10.348 4.414 429 HE2 HIS 56 HE2 HIS 56 -9.604 8.167 5.658 430 H GLN 57 H GLN 57 -4.013 11.719 6.441 431 HA GLN 57 HA GLN 57 -4.840 10.794 3.880 432 HB2 GLN 57 HB2 GLN 57 -2.614 12.686 4.678 433 HB3 GLN 57 HB3 GLN 57 -3.061 12.360 3.010 434 HG2 GLN 57 HG2 GLN 57 -4.057 14.431 3.752 435 HG3 GLN 57 HG3 GLN 57 -5.309 13.233 3.437 436 HE21 GLN 57 HE21 GLN 57 -3.622 15.024 5.911 437 HE22 GLN 57 HE22 GLN 57 -4.761 14.723 7.171 438 H LEU 58 H LEU 58 -1.756 10.484 5.635 439 HA LEU 58 HA LEU 58 -0.406 8.928 3.711 440 HB2 LEU 58 HB2 LEU 58 -0.082 8.922 6.721 441 HB3 LEU 58 HB3 LEU 58 1.055 8.219 5.580 442 HG LEU 58 HG LEU 58 0.373 11.162 5.828 443 HD11 LEU 58 HD11 LEU 58 1.750 10.327 7.668 444 HD12 LEU 58 HD12 LEU 58 2.663 11.413 6.622 445 HD13 LEU 58 HD13 LEU 58 2.911 9.670 6.513 446 HD21 LEU 58 HD21 LEU 58 0.837 10.608 3.508 447 HD22 LEU 58 HD22 LEU 58 2.311 9.757 3.976 448 HD23 LEU 58 HD23 LEU 58 2.192 11.504 4.192 449 H ILE 59 H ILE 59 -2.223 7.871 6.611 450 HA ILE 59 HA ILE 59 -1.952 5.101 6.199 451 HB ILE 59 HB ILE 59 -4.235 6.549 7.563 452 HG12 ILE 59 HG12 ILE 59 -2.082 7.156 8.553 453 HG13 ILE 59 HG13 ILE 59 -2.980 6.121 9.653 454 HG21 ILE 59 HG21 ILE 59 -3.334 3.672 7.772 455 HG22 ILE 59 HG22 ILE 59 -4.843 4.257 7.070 456 HG23 ILE 59 HG23 ILE 59 -4.550 4.431 8.800 457 HD11 ILE 59 HD11 ILE 59 -0.631 5.537 9.620 458 HD12 ILE 59 HD12 ILE 59 -0.703 5.262 7.880 459 HD13 ILE 59 HD13 ILE 59 -1.607 4.217 8.976 460 H GLU 60 H GLU 60 -4.423 7.370 5.056 461 HA GLU 60 HA GLU 60 -6.213 5.486 3.970 462 HB2 GLU 60 HB2 GLU 60 -6.637 7.958 4.393 463 HB3 GLU 60 HB3 GLU 60 -5.759 8.281 2.904 464 HG2 GLU 60 HG2 GLU 60 -8.094 8.311 2.426 465 HG3 GLU 60 HG3 GLU 60 -7.402 6.866 1.689 466 H THR 61 H THR 61 -3.719 7.448 2.323 467 HA THR 61 HA THR 61 -3.892 6.338 -0.217 468 HB THR 61 HB THR 61 -1.360 7.257 1.181 469 HG1 THR 61 HG1 THR 61 -2.614 9.030 1.151 470 HG21 THR 61 HG21 THR 61 -0.872 5.998 -0.864 471 HG22 THR 61 HG22 THR 61 -0.526 7.712 -1.089 472 HG23 THR 61 HG23 THR 61 -1.996 7.013 -1.766 473 H THR 62 H THR 62 -2.098 5.177 2.606 474 HA THR 62 HA THR 62 -0.727 3.071 1.303 475 HB THR 62 HB THR 62 -1.422 3.340 4.240 476 HG1 THR 62 HG1 THR 62 -0.088 5.010 3.791 477 HG21 THR 62 HG21 THR 62 -0.824 1.032 3.658 478 HG22 THR 62 HG22 THR 62 0.440 1.788 4.626 479 HG23 THR 62 HG23 THR 62 0.655 1.606 2.885 480 H ASN 63 H ASN 63 -3.497 2.791 3.612 481 HA ASN 63 HA ASN 63 -3.755 0.020 3.255 482 HB2 ASN 63 HB2 ASN 63 -5.717 0.099 4.559 483 HB3 ASN 63 HB3 ASN 63 -4.702 1.396 5.166 484 HD21 ASN 63 HD21 ASN 63 -5.300 3.295 3.107 485 HD22 ASN 63 HD22 ASN 63 -6.943 3.772 3.323 486 H ARG 64 H ARG 64 -5.050 2.632 1.350 487 HA ARG 64 HA ARG 64 -7.090 1.269 -0.015 488 HB2 ARG 64 HB2 ARG 64 -6.865 3.683 -0.114 489 HB3 ARG 64 HB3 ARG 64 -5.307 3.546 -0.914 490 HG2 ARG 64 HG2 ARG 64 -6.356 2.648 -2.901 491 HG3 ARG 64 HG3 ARG 64 -7.925 2.609 -2.094 492 HD2 ARG 64 HD2 ARG 64 -7.981 5.008 -1.955 493 HD3 ARG 64 HD3 ARG 64 -6.324 5.128 -2.547 494 HE ARG 64 HE ARG 64 -7.357 4.022 -4.643 495 HH11 ARG 64 HH11 ARG 64 -9.030 6.221 -2.597 496 HH12 ARG 64 HH12 ARG 64 -9.886 6.962 -3.902 497 HH21 ARG 64 HH21 ARG 64 -8.468 4.966 -6.318 498 HH22 ARG 64 HH22 ARG 64 -9.589 6.240 -5.984 499 H ALA 65 H ALA 65 -3.738 1.893 -1.143 500 HA ALA 65 HA ALA 65 -3.893 0.197 -3.397 501 HB1 ALA 65 HB1 ALA 65 -2.211 1.970 -3.150 502 HB2 ALA 65 HB2 ALA 65 -1.474 0.412 -3.518 503 HB3 ALA 65 HB3 ALA 65 -1.426 1.044 -1.872 504 H ILE 66 H ILE 66 -2.863 -0.384 -0.077 505 HA ILE 66 HA ILE 66 -1.802 -2.952 -0.295 506 HB ILE 66 HB ILE 66 -3.337 -1.656 1.962 507 HG12 ILE 66 HG12 ILE 66 -1.234 -0.551 1.434 508 HG13 ILE 66 HG13 ILE 66 -1.083 -1.401 2.967 509 HG21 ILE 66 HG21 ILE 66 -3.516 -4.074 2.206 510 HG22 ILE 66 HG22 ILE 66 -2.461 -3.393 3.444 511 HG23 ILE 66 HG23 ILE 66 -1.766 -4.229 2.055 512 HD11 ILE 66 HD11 ILE 66 -0.017 -2.318 0.304 513 HD12 ILE 66 HD12 ILE 66 0.100 -3.221 1.814 514 HD13 ILE 66 HD13 ILE 66 0.918 -1.668 1.650 515 H SER 67 H SER 67 -5.183 -2.029 0.394 516 HA SER 67 HA SER 67 -6.130 -4.727 0.450 517 HB2 SER 67 HB2 SER 67 -7.281 -2.952 1.694 518 HB3 SER 67 HB3 SER 67 -7.684 -2.139 0.184 519 HG SER 67 HG SER 67 -8.522 -4.766 0.896 520 H LEU 68 H LEU 68 -6.420 -2.110 -1.970 521 HA LEU 68 HA LEU 68 -8.107 -3.394 -3.755 522 HB2 LEU 68 HB2 LEU 68 -5.931 -1.380 -4.297 523 HB3 LEU 68 HB3 LEU 68 -7.087 -1.902 -5.509 524 HG LEU 68 HG LEU 68 -7.765 -0.468 -2.927 525 HD11 LEU 68 HD11 LEU 68 -7.818 0.485 -5.791 526 HD12 LEU 68 HD12 LEU 68 -6.675 0.990 -4.547 527 HD13 LEU 68 HD13 LEU 68 -8.383 1.393 -4.389 528 HD21 LEU 68 HD21 LEU 68 -9.536 -2.021 -3.579 529 HD22 LEU 68 HD22 LEU 68 -9.555 -1.339 -5.206 530 HD23 LEU 68 HD23 LEU 68 -10.044 -0.351 -3.828 531 H TYR 69 H TYR 69 -4.563 -3.657 -3.570 532 HA TYR 69 HA TYR 69 -4.112 -5.105 -5.910 533 HB2 TYR 69 HB2 TYR 69 -2.681 -4.742 -3.355 534 HB3 TYR 69 HB3 TYR 69 -2.297 -6.242 -4.188 535 HD1 TYR 69 HD1 TYR 69 -2.158 -5.693 -6.935 536 HD2 TYR 69 HD2 TYR 69 -1.055 -3.116 -3.726 537 HE1 TYR 69 HE1 TYR 69 -0.602 -4.517 -8.425 538 HE2 TYR 69 HE2 TYR 69 0.509 -1.934 -5.215 539 HH TYR 69 HH TYR 69 0.475 -2.274 -8.568 540 H MET 70 H MET 70 -4.784 -6.430 -2.657 541 HA MET 70 HA MET 70 -4.874 -9.129 -3.673 542 HB2 MET 70 HB2 MET 70 -5.527 -8.012 -0.934 543 HB3 MET 70 HB3 MET 70 -5.459 -9.726 -1.328 544 HG2 MET 70 HG2 MET 70 -3.109 -9.539 -1.889 545 HG3 MET 70 HG3 MET 70 -3.156 -7.803 -1.594 546 HE1 MET 70 HE1 MET 70 -4.976 -10.589 0.510 547 HE2 MET 70 HE2 MET 70 -3.762 -10.951 1.736 548 HE3 MET 70 HE3 MET 70 -3.467 -11.379 0.050 549 H ALA 71 H ALA 71 -7.196 -6.619 -3.109 550 HA ALA 71 HA ALA 71 -9.523 -8.281 -3.051 551 HB1 ALA 71 HB1 ALA 71 -10.775 -6.220 -3.330 552 HB2 ALA 71 HB2 ALA 71 -9.305 -5.356 -3.781 553 HB3 ALA 71 HB3 ALA 71 -9.490 -5.988 -2.145 554 H ASN 72 H ASN 72 -7.858 -6.452 -5.614 555 HA ASN 72 HA ASN 72 -9.721 -7.358 -7.650 556 HB2 ASN 72 HB2 ASN 72 -8.472 -5.077 -7.562 557 HB3 ASN 72 HB3 ASN 72 -7.101 -5.968 -8.211 558 HD21 ASN 72 HD21 ASN 72 -8.540 -3.819 -9.446 559 HD22 ASN 72 HD22 ASN 72 -9.214 -4.434 -10.912 560 H LEU 73 H LEU 73 -6.790 -8.484 -6.254 561 HA LEU 73 HA LEU 73 -5.532 -9.857 -8.300 562 HB2 LEU 73 HB2 LEU 73 -4.809 -9.609 -5.873 563 HB3 LEU 73 HB3 LEU 73 -5.867 -10.951 -5.499 564 HG LEU 73 HG LEU 73 -3.426 -11.527 -5.720 565 HD11 LEU 73 HD11 LEU 73 -5.138 -13.257 -5.909 566 HD12 LEU 73 HD12 LEU 73 -3.760 -13.590 -6.959 567 HD13 LEU 73 HD13 LEU 73 -5.257 -12.958 -7.645 568 HD21 LEU 73 HD21 LEU 73 -2.876 -10.047 -7.576 569 HD22 LEU 73 HD22 LEU 73 -3.913 -10.988 -8.651 570 HD23 LEU 73 HD23 LEU 73 -2.466 -11.719 -7.960 571 H GLU 74 H GLU 74 -7.987 -11.274 -6.087 572 HA GLU 74 HA GLU 74 -8.253 -13.691 -7.511 573 HB2 GLU 74 HB2 GLU 74 -8.970 -13.397 -5.162 574 HB3 GLU 74 HB3 GLU 74 -10.286 -12.365 -5.698 575 HG2 GLU 74 HG2 GLU 74 -11.091 -14.599 -5.199 576 HG3 GLU 74 HG3 GLU 74 -11.278 -14.238 -6.914 577 H HIS 75 H HIS 75 -9.795 -10.565 -7.950 578 HA HIS 75 HA HIS 75 -11.880 -11.313 -9.668 579 HB2 HIS 75 HB2 HIS 75 -11.615 -9.044 -8.703 580 HB3 HIS 75 HB3 HIS 75 -10.237 -8.767 -9.761 581 HD1 HIS 75 HD1 HIS 75 -10.775 -7.666 -11.930 582 HD2 HIS 75 HD2 HIS 75 -14.097 -9.516 -10.258 583 HE1 HIS 75 HE1 HIS 75 -12.701 -7.070 -13.419 584 HE2 HIS 75 HE2 HIS 75 -14.719 -8.012 -12.259 585 H HIS 76 H HIS 76 -8.480 -10.531 -10.388 586 HA HIS 76 HA HIS 76 -8.702 -11.100 -13.198 587 HB2 HIS 76 HB2 HIS 76 -6.329 -10.799 -11.345 588 HB3 HIS 76 HB3 HIS 76 -6.147 -11.193 -13.052 589 HD1 HIS 76 HD1 HIS 76 -6.409 -9.322 -14.726 590 HD2 HIS 76 HD2 HIS 76 -7.286 -8.150 -10.840 591 HE1 HIS 76 HE1 HIS 76 -6.618 -6.825 -14.812 592 HE2 HIS 76 HE2 HIS 76 -7.048 -6.129 -12.436 593 H HIS 77 H HIS 77 -7.514 -12.897 -10.384 594 HA HIS 77 HA HIS 77 -6.655 -15.219 -11.697 595 HB2 HIS 77 HB2 HIS 77 -6.059 -14.668 -9.384 596 HB3 HIS 77 HB3 HIS 77 -7.732 -14.887 -8.886 597 HD1 HIS 77 HD1 HIS 77 -8.500 -17.229 -8.379 598 HD2 HIS 77 HD2 HIS 77 -4.706 -17.113 -10.065 599 HE1 HIS 77 HE1 HIS 77 -7.587 -19.553 -8.136 600 HE2 HIS 77 HE2 HIS 77 -5.234 -19.415 -9.004 601 H HIS 78 H HIS 78 -9.860 -14.190 -10.752 602 HA HIS 78 HA HIS 78 -11.119 -16.737 -11.227 603 HB2 HIS 78 HB2 HIS 78 -12.086 -15.093 -9.667 604 HB3 HIS 78 HB3 HIS 78 -12.320 -13.960 -10.991 605 HD1 HIS 78 HD1 HIS 78 -14.799 -13.826 -11.179 606 HD2 HIS 78 HD2 HIS 78 -13.466 -17.755 -10.912 607 HE1 HIS 78 HE1 HIS 78 -16.828 -15.252 -11.556 608 HE2 HIS 78 HE2 HIS 78 -16.006 -17.621 -11.386 609 H HIS 79 H HIS 79 -10.271 -13.962 -13.125 610 HA HIS 79 HA HIS 79 -10.285 -13.522 -15.345 611 HB2 HIS 79 HB2 HIS 79 -10.871 -16.481 -15.623 612 HB3 HIS 79 HB3 HIS 79 -10.319 -15.418 -16.915 613 HD1 HIS 79 HD1 HIS 79 -9.129 -17.360 -13.987 614 HD2 HIS 79 HD2 HIS 79 -7.589 -14.627 -16.707 615 HE1 HIS 79 HE1 HIS 79 -6.641 -17.506 -13.747 616 HE2 HIS 79 HE2 HIS 79 -5.758 -15.668 -15.208 617 H HIS 80 H HIS 80 -11.690 -13.988 -17.487 618 HA HIS 80 HA HIS 80 -14.484 -14.483 -17.038 619 HB2 HIS 80 HB2 HIS 80 -15.177 -12.167 -17.903 620 HB3 HIS 80 HB3 HIS 80 -14.638 -12.273 -16.233 621 HD1 HIS 80 HD1 HIS 80 -13.636 -10.908 -19.573 622 HD2 HIS 80 HD2 HIS 80 -12.284 -10.884 -15.647 623 HE1 HIS 80 HE1 HIS 80 -11.840 -9.159 -19.494 624 HE2 HIS 80 HE2 HIS 80 -11.151 -9.053 -17.079 Start of MODEL 6 1 H1 MET 1 H1 MET 1 15.421 -14.353 3.868 2 H2 MET 1 H2 MET 1 14.962 -14.546 2.254 3 H3 MET 1 H3 MET 1 14.166 -13.417 3.231 4 HA MET 1 HA MET 1 16.198 -12.138 3.457 5 HB2 MET 1 HB2 MET 1 17.720 -14.069 3.152 6 HB3 MET 1 HB3 MET 1 17.307 -14.112 1.444 7 HG2 MET 1 HG2 MET 1 18.259 -11.857 1.172 8 HG3 MET 1 HG3 MET 1 18.697 -11.849 2.878 9 HE1 MET 1 HE1 MET 1 20.439 -13.536 3.955 10 HE2 MET 1 HE2 MET 1 21.353 -14.728 3.035 11 HE3 MET 1 HE3 MET 1 19.614 -14.931 3.258 12 H ALA 2 H ALA 2 14.191 -13.372 0.973 13 HA ALA 2 HA ALA 2 14.875 -11.536 -1.107 14 HB1 ALA 2 HB1 ALA 2 12.369 -13.176 -0.730 15 HB2 ALA 2 HB2 ALA 2 13.823 -13.686 -1.587 16 HB3 ALA 2 HB3 ALA 2 12.854 -12.352 -2.213 17 H GLY 3 H GLY 3 14.868 -9.545 0.132 18 HA2 GLY 3 HA2 GLY 3 12.200 -8.474 0.773 19 HA3 GLY 3 HA3 GLY 3 13.737 -7.782 1.271 20 H ASP 4 H ASP 4 12.844 -8.816 -1.992 21 HA ASP 4 HA ASP 4 12.985 -6.001 -2.870 22 HB2 ASP 4 HB2 ASP 4 14.258 -8.416 -4.169 23 HB3 ASP 4 HB3 ASP 4 14.179 -6.817 -4.906 24 HA PRO 5 HA PRO 5 9.434 -8.448 -5.117 25 HB2 PRO 5 HB2 PRO 5 7.259 -7.726 -3.614 26 HB3 PRO 5 HB3 PRO 5 8.124 -9.254 -3.402 27 HG2 PRO 5 HG2 PRO 5 8.360 -6.706 -1.834 28 HG3 PRO 5 HG3 PRO 5 8.312 -8.379 -1.246 29 HD2 PRO 5 HD2 PRO 5 10.622 -6.995 -1.463 30 HD3 PRO 5 HD3 PRO 5 10.548 -8.748 -1.737 31 H MET 6 H MET 6 8.886 -5.475 -3.199 32 HA MET 6 HA MET 6 8.453 -3.323 -3.737 33 HB2 MET 6 HB2 MET 6 9.881 -4.010 -6.313 34 HB3 MET 6 HB3 MET 6 9.624 -2.391 -5.672 35 HG2 MET 6 HG2 MET 6 11.289 -4.569 -4.419 36 HG3 MET 6 HG3 MET 6 11.885 -3.121 -5.229 37 HE1 MET 6 HE1 MET 6 10.026 -0.804 -4.212 38 HE2 MET 6 HE2 MET 6 11.789 -0.710 -4.240 39 HE3 MET 6 HE3 MET 6 10.905 -0.273 -2.779 40 H THR 7 H THR 7 6.681 -5.638 -5.081 41 HA THR 7 HA THR 7 5.466 -4.611 -7.369 42 HB THR 7 HB THR 7 3.532 -6.017 -6.863 43 HG1 THR 7 HG1 THR 7 3.130 -6.787 -4.877 44 HG21 THR 7 HG21 THR 7 4.652 -8.183 -6.576 45 HG22 THR 7 HG22 THR 7 6.114 -7.363 -6.026 46 HG23 THR 7 HG23 THR 7 5.552 -7.148 -7.684 47 H PHE 8 H PHE 8 4.307 -4.319 -4.010 48 HA PHE 8 HA PHE 8 2.176 -2.613 -4.395 49 HB2 PHE 8 HB2 PHE 8 2.578 -3.657 -2.253 50 HB3 PHE 8 HB3 PHE 8 4.090 -2.776 -2.056 51 HD1 PHE 8 HD1 PHE 8 0.440 -2.153 -2.548 52 HD2 PHE 8 HD2 PHE 8 4.090 -0.845 -0.784 53 HE1 PHE 8 HE1 PHE 8 -0.763 -0.344 -1.401 54 HE2 PHE 8 HE2 PHE 8 2.887 0.967 0.367 55 HZ PHE 8 HZ PHE 8 0.455 1.219 0.055 56 H TYR 9 H TYR 9 5.592 -1.684 -3.917 57 HA TYR 9 HA TYR 9 5.086 1.108 -3.907 58 HB2 TYR 9 HB2 TYR 9 7.170 0.116 -2.993 59 HB3 TYR 9 HB3 TYR 9 7.670 -0.304 -4.631 60 HD1 TYR 9 HD1 TYR 9 6.188 2.812 -3.161 61 HD2 TYR 9 HD2 TYR 9 9.467 1.061 -5.244 62 HE1 TYR 9 HE1 TYR 9 7.217 5.029 -3.401 63 HE2 TYR 9 HE2 TYR 9 10.502 3.280 -5.485 64 HH TYR 9 HH TYR 9 9.337 6.046 -3.785 65 H ASN 10 H ASN 10 6.157 -1.111 -6.488 66 HA ASN 10 HA ASN 10 6.375 0.726 -8.570 67 HB2 ASN 10 HB2 ASN 10 7.119 -1.608 -8.755 68 HB3 ASN 10 HB3 ASN 10 5.448 -2.159 -8.698 69 HD21 ASN 10 HD21 ASN 10 4.188 -2.010 -10.516 70 HD22 ASN 10 HD22 ASN 10 4.806 -1.555 -12.062 71 H PHE 11 H PHE 11 3.520 -0.766 -7.172 72 HA PHE 11 HA PHE 11 1.620 0.021 -9.110 73 HB2 PHE 11 HB2 PHE 11 1.161 -1.684 -7.413 74 HB3 PHE 11 HB3 PHE 11 1.296 -0.482 -6.139 75 HD1 PHE 11 HD1 PHE 11 -0.726 -1.487 -9.081 76 HD2 PHE 11 HD2 PHE 11 -0.575 0.794 -5.481 77 HE1 PHE 11 HE1 PHE 11 -3.141 -1.060 -9.253 78 HE2 PHE 11 HE2 PHE 11 -2.993 1.224 -5.652 79 HZ PHE 11 HZ PHE 11 -4.279 0.298 -7.538 80 H ILE 12 H ILE 12 2.842 1.683 -6.202 81 HA ILE 12 HA ILE 12 1.087 3.965 -6.654 82 HB ILE 12 HB ILE 12 1.629 3.139 -4.344 83 HG12 ILE 12 HG12 ILE 12 1.949 5.404 -3.353 84 HG13 ILE 12 HG13 ILE 12 2.345 6.022 -4.953 85 HG21 ILE 12 HG21 ILE 12 4.337 4.337 -4.908 86 HG22 ILE 12 HG22 ILE 12 3.980 2.632 -4.633 87 HG23 ILE 12 HG23 ILE 12 3.764 3.800 -3.329 88 HD11 ILE 12 HD11 ILE 12 0.110 5.463 -5.730 89 HD12 ILE 12 HD12 ILE 12 0.056 6.533 -4.331 90 HD13 ILE 12 HD13 ILE 12 -0.290 4.815 -4.138 91 H MET 13 H MET 13 4.134 2.981 -7.758 92 HA MET 13 HA MET 13 5.461 5.505 -7.906 93 HB2 MET 13 HB2 MET 13 5.938 2.862 -9.263 94 HB3 MET 13 HB3 MET 13 6.913 4.276 -9.629 95 HG2 MET 13 HG2 MET 13 7.615 4.419 -7.309 96 HG3 MET 13 HG3 MET 13 6.604 3.034 -6.905 97 HE1 MET 13 HE1 MET 13 9.733 4.283 -8.917 98 HE2 MET 13 HE2 MET 13 8.754 3.523 -10.173 99 HE3 MET 13 HE3 MET 13 10.282 2.793 -9.685 100 H GLY 14 H GLY 14 2.683 4.913 -9.361 101 HA2 GLY 14 HA2 GLY 14 3.406 6.176 -11.918 102 HA3 GLY 14 HA3 GLY 14 1.846 5.477 -11.519 103 H PHE 15 H PHE 15 2.641 7.197 -8.854 104 HA PHE 15 HA PHE 15 0.967 9.443 -9.779 105 HB2 PHE 15 HB2 PHE 15 1.304 8.273 -7.009 106 HB3 PHE 15 HB3 PHE 15 0.309 9.676 -7.390 107 HD1 PHE 15 HD1 PHE 15 0.657 6.033 -7.794 108 HD2 PHE 15 HD2 PHE 15 -1.833 9.429 -8.454 109 HE1 PHE 15 HE1 PHE 15 -1.235 4.546 -8.303 110 HE2 PHE 15 HE2 PHE 15 -3.726 7.943 -8.964 111 HZ PHE 15 HZ PHE 15 -3.427 5.498 -8.889 112 H GLN 16 H GLN 16 4.141 8.807 -8.511 113 HA GLN 16 HA GLN 16 4.481 11.231 -7.066 114 HB2 GLN 16 HB2 GLN 16 6.732 10.677 -6.791 115 HB3 GLN 16 HB3 GLN 16 5.941 9.114 -6.919 116 HG2 GLN 16 HG2 GLN 16 7.303 10.494 -9.229 117 HG3 GLN 16 HG3 GLN 16 8.104 9.344 -8.163 118 HE21 GLN 16 HE21 GLN 16 7.639 7.180 -8.347 119 HE22 GLN 16 HE22 GLN 16 6.743 6.535 -9.675 120 H ASN 17 H ASN 17 4.856 10.439 -10.453 121 HA ASN 17 HA ASN 17 6.338 12.753 -11.216 122 HB2 ASN 17 HB2 ASN 17 6.178 10.628 -12.544 123 HB3 ASN 17 HB3 ASN 17 4.518 11.048 -12.944 124 HD21 ASN 17 HD21 ASN 17 7.869 11.831 -13.427 125 HD22 ASN 17 HD22 ASN 17 7.635 12.830 -14.817 126 H ASP 18 H ASP 18 3.139 12.378 -10.223 127 HA ASP 18 HA ASP 18 2.334 14.936 -11.461 128 HB2 ASP 18 HB2 ASP 18 0.657 12.554 -10.633 129 HB3 ASP 18 HB3 ASP 18 -0.026 14.117 -11.071 130 H ASN 19 H ASN 19 1.441 16.532 -10.137 131 HA ASN 19 HA ASN 19 2.143 16.461 -7.370 132 HB2 ASN 19 HB2 ASN 19 0.474 18.450 -8.929 133 HB3 ASN 19 HB3 ASN 19 0.956 18.668 -7.250 134 HD21 ASN 19 HD21 ASN 19 2.008 18.685 -10.542 135 HD22 ASN 19 HD22 ASN 19 3.564 19.367 -10.244 136 H THR 20 H THR 20 1.044 14.663 -6.528 137 HA THR 20 HA THR 20 -1.822 15.085 -5.970 138 HB THR 20 HB THR 20 -2.302 12.703 -6.291 139 HG1 THR 20 HG1 THR 20 0.226 12.299 -7.496 140 HG21 THR 20 HG21 THR 20 -2.621 14.156 -8.234 141 HG22 THR 20 HG22 THR 20 -2.078 12.554 -8.741 142 HG23 THR 20 HG23 THR 20 -0.944 13.902 -8.717 143 HA PRO 21 HA PRO 21 -0.854 14.090 -1.689 144 HB2 PRO 21 HB2 PRO 21 -3.348 12.440 -1.851 145 HB3 PRO 21 HB3 PRO 21 -2.878 13.654 -0.655 146 HG2 PRO 21 HG2 PRO 21 -4.681 14.247 -2.513 147 HG3 PRO 21 HG3 PRO 21 -3.450 15.437 -2.045 148 HD2 PRO 21 HD2 PRO 21 -3.593 13.722 -4.496 149 HD3 PRO 21 HD3 PRO 21 -3.035 15.399 -4.323 150 H PHE 22 H PHE 22 -1.799 11.545 -3.953 151 HA PHE 22 HA PHE 22 -0.738 9.345 -2.498 152 HB2 PHE 22 HB2 PHE 22 -1.211 9.675 -5.474 153 HB3 PHE 22 HB3 PHE 22 -0.845 8.148 -4.677 154 HD1 PHE 22 HD1 PHE 22 -3.383 10.758 -5.167 155 HD2 PHE 22 HD2 PHE 22 -2.514 6.992 -3.367 156 HE1 PHE 22 HE1 PHE 22 -5.781 10.407 -4.748 157 HE2 PHE 22 HE2 PHE 22 -4.913 6.640 -2.946 158 HZ PHE 22 HZ PHE 22 -6.550 8.350 -3.640 159 H GLY 23 H GLY 23 0.623 11.519 -4.953 160 HA2 GLY 23 HA2 GLY 23 3.144 10.299 -5.251 161 HA3 GLY 23 HA3 GLY 23 2.803 12.005 -5.503 162 H ILE 24 H ILE 24 1.988 12.653 -2.867 163 HA ILE 24 HA ILE 24 4.356 13.226 -1.528 164 HB ILE 24 HB ILE 24 1.621 12.844 -0.276 165 HG12 ILE 24 HG12 ILE 24 1.553 14.453 -2.126 166 HG13 ILE 24 HG13 ILE 24 1.354 15.276 -0.585 167 HG21 ILE 24 HG21 ILE 24 3.378 12.895 1.407 168 HG22 ILE 24 HG22 ILE 24 2.426 14.378 1.470 169 HG23 ILE 24 HG23 ILE 24 4.022 14.386 0.719 170 HD11 ILE 24 HD11 ILE 24 3.727 15.941 -0.670 171 HD12 ILE 24 HD12 ILE 24 2.785 16.561 -2.025 172 HD13 ILE 24 HD13 ILE 24 3.856 15.180 -2.257 173 H LEU 25 H LEU 25 2.093 10.539 -0.947 174 HA LEU 25 HA LEU 25 3.567 9.291 1.118 175 HB2 LEU 25 HB2 LEU 25 1.163 8.894 0.622 176 HB3 LEU 25 HB3 LEU 25 1.616 8.056 -0.846 177 HG LEU 25 HG LEU 25 0.950 6.634 1.179 178 HD11 LEU 25 HD11 LEU 25 3.610 6.066 -0.127 179 HD12 LEU 25 HD12 LEU 25 2.022 5.671 -0.785 180 HD13 LEU 25 HD13 LEU 25 2.581 4.891 0.694 181 HD21 LEU 25 HD21 LEU 25 3.731 7.388 2.092 182 HD22 LEU 25 HD22 LEU 25 2.691 6.164 2.821 183 HD23 LEU 25 HD23 LEU 25 2.220 7.861 2.870 184 H ALA 26 H ALA 26 3.384 8.574 -2.379 185 HA ALA 26 HA ALA 26 5.170 6.453 -2.509 186 HB1 ALA 26 HB1 ALA 26 5.460 7.042 -4.875 187 HB2 ALA 26 HB2 ALA 26 4.718 8.614 -4.570 188 HB3 ALA 26 HB3 ALA 26 3.769 7.140 -4.383 189 H GLU 27 H GLU 27 5.853 9.911 -2.401 190 HA GLU 27 HA GLU 27 8.661 9.655 -2.891 191 HB2 GLU 27 HB2 GLU 27 7.387 11.730 -3.348 192 HB3 GLU 27 HB3 GLU 27 7.128 11.938 -1.622 193 HG2 GLU 27 HG2 GLU 27 9.560 12.134 -1.296 194 HG3 GLU 27 HG3 GLU 27 9.793 11.967 -3.037 195 H HIS 28 H HIS 28 6.691 10.046 0.063 196 HA HIS 28 HA HIS 28 8.873 10.285 1.837 197 HB2 HIS 28 HB2 HIS 28 6.621 10.966 2.492 198 HB3 HIS 28 HB3 HIS 28 6.073 9.292 2.416 199 HD1 HIS 28 HD1 HIS 28 8.149 11.624 4.497 200 HD2 HIS 28 HD2 HIS 28 6.776 7.710 4.611 201 HE1 HIS 28 HE1 HIS 28 8.670 10.801 6.803 202 HE2 HIS 28 HE2 HIS 28 8.118 8.352 6.721 203 H VAL 29 H VAL 29 6.999 7.399 0.859 204 HA VAL 29 HA VAL 29 8.329 5.587 2.562 205 HB VAL 29 HB VAL 29 7.550 3.797 1.052 206 HG11 VAL 29 HG11 VAL 29 5.149 4.211 1.293 207 HG12 VAL 29 HG12 VAL 29 5.467 5.919 1.598 208 HG13 VAL 29 HG13 VAL 29 6.030 4.699 2.741 209 HG21 VAL 29 HG21 VAL 29 6.605 6.059 -0.716 210 HG22 VAL 29 HG22 VAL 29 6.214 4.353 -0.932 211 HG23 VAL 29 HG23 VAL 29 7.881 4.903 -1.095 212 H SER 30 H SER 30 9.309 7.031 -0.445 213 HA SER 30 HA SER 30 11.458 5.292 -1.087 214 HB2 SER 30 HB2 SER 30 10.622 6.942 -2.703 215 HB3 SER 30 HB3 SER 30 11.145 8.258 -1.654 216 HG SER 30 HG SER 30 12.959 8.119 -2.692 217 H GLU 31 H GLU 31 11.101 7.908 1.205 218 HA GLU 31 HA GLU 31 13.883 8.183 1.840 219 HB2 GLU 31 HB2 GLU 31 11.463 8.986 3.480 220 HB3 GLU 31 HB3 GLU 31 13.108 9.571 3.698 221 HG2 GLU 31 HG2 GLU 31 13.033 10.653 1.516 222 HG3 GLU 31 HG3 GLU 31 11.404 10.035 1.253 223 H ASP 32 H ASP 32 11.122 6.602 3.492 224 HA ASP 32 HA ASP 32 12.748 5.417 5.520 225 HB2 ASP 32 HB2 ASP 32 9.929 4.823 4.603 226 HB3 ASP 32 HB3 ASP 32 10.695 4.005 5.963 227 H LYS 33 H LYS 33 12.212 4.611 2.258 228 HA LYS 33 HA LYS 33 12.593 1.850 2.175 229 HB2 LYS 33 HB2 LYS 33 12.054 3.231 0.209 230 HB3 LYS 33 HB3 LYS 33 13.653 3.960 0.272 231 HG2 LYS 33 HG2 LYS 33 14.621 1.684 -0.119 232 HG3 LYS 33 HG3 LYS 33 12.975 1.092 -0.370 233 HD2 LYS 33 HD2 LYS 33 12.684 2.624 -2.239 234 HD3 LYS 33 HD3 LYS 33 14.291 3.304 -1.960 235 HE2 LYS 33 HE2 LYS 33 15.250 1.041 -2.388 236 HE3 LYS 33 HE3 LYS 33 13.634 0.479 -2.816 237 HZ1 LYS 33 HZ1 LYS 33 14.914 1.066 -4.770 238 HZ2 LYS 33 HZ2 LYS 33 15.136 2.638 -4.192 239 HZ3 LYS 33 HZ3 LYS 33 13.589 2.103 -4.605 240 H ALA 34 H ALA 34 14.789 4.293 3.183 241 HA ALA 34 HA ALA 34 17.293 3.246 2.591 242 HB1 ALA 34 HB1 ALA 34 16.945 5.468 3.543 243 HB2 ALA 34 HB2 ALA 34 18.116 4.551 4.491 244 HB3 ALA 34 HB3 ALA 34 16.463 4.745 5.078 245 H PHE 35 H PHE 35 14.965 2.097 4.906 246 HA PHE 35 HA PHE 35 16.951 0.217 6.030 247 HB2 PHE 35 HB2 PHE 35 14.320 1.173 7.186 248 HB3 PHE 35 HB3 PHE 35 15.349 -0.054 7.920 249 HD1 PHE 35 HD1 PHE 35 14.957 3.523 7.213 250 HD2 PHE 35 HD2 PHE 35 17.436 0.544 8.985 251 HE1 PHE 35 HE1 PHE 35 16.225 5.278 8.381 252 HE2 PHE 35 HE2 PHE 35 18.704 2.296 10.156 253 HZ PHE 35 HZ PHE 35 18.103 4.660 9.858 254 HA PRO 36 HA PRO 36 14.495 -2.684 3.435 255 HB2 PRO 36 HB2 PRO 36 16.793 -4.428 4.152 256 HB3 PRO 36 HB3 PRO 36 16.102 -4.074 2.565 257 HG2 PRO 36 HG2 PRO 36 18.454 -3.033 3.298 258 HG3 PRO 36 HG3 PRO 36 17.296 -2.094 2.337 259 HD2 PRO 36 HD2 PRO 36 17.885 -1.940 5.276 260 HD3 PRO 36 HD3 PRO 36 17.607 -0.625 4.113 261 H ARG 37 H ARG 37 12.787 -3.363 4.636 262 HA ARG 37 HA ARG 37 13.180 -4.470 7.290 263 HB2 ARG 37 HB2 ARG 37 10.701 -3.808 5.699 264 HB3 ARG 37 HB3 ARG 37 10.647 -4.547 7.295 265 HG2 ARG 37 HG2 ARG 37 11.864 -2.607 8.213 266 HG3 ARG 37 HG3 ARG 37 11.838 -1.859 6.615 267 HD2 ARG 37 HD2 ARG 37 10.060 -1.034 8.164 268 HD3 ARG 37 HD3 ARG 37 9.448 -1.702 6.652 269 HE ARG 37 HE ARG 37 8.870 -3.718 7.901 270 HH11 ARG 37 HH11 ARG 37 9.557 -0.928 9.785 271 HH12 ARG 37 HH12 ARG 37 8.523 -1.413 11.081 272 HH21 ARG 37 HH21 ARG 37 7.545 -4.336 9.541 273 HH22 ARG 37 HH22 ARG 37 7.430 -3.351 10.961 274 H LEU 38 H LEU 38 12.269 -5.679 4.106 275 HA LEU 38 HA LEU 38 11.972 -7.789 3.282 276 HB2 LEU 38 HB2 LEU 38 13.581 -8.424 5.753 277 HB3 LEU 38 HB3 LEU 38 13.039 -9.686 4.665 278 HG LEU 38 HG LEU 38 14.321 -8.636 2.827 279 HD11 LEU 38 HD11 LEU 38 15.956 -6.892 3.302 280 HD12 LEU 38 HD12 LEU 38 15.356 -6.765 4.956 281 HD13 LEU 38 HD13 LEU 38 14.313 -6.322 3.604 282 HD21 LEU 38 HD21 LEU 38 15.316 -10.430 4.135 283 HD22 LEU 38 HD22 LEU 38 15.939 -9.259 5.299 284 HD23 LEU 38 HD23 LEU 38 16.543 -9.265 3.641 285 H GLU 39 H GLU 39 9.819 -6.699 4.770 286 HA GLU 39 HA GLU 39 8.639 -8.157 6.759 287 HB2 GLU 39 HB2 GLU 39 7.244 -6.880 4.394 288 HB3 GLU 39 HB3 GLU 39 6.460 -7.353 5.895 289 HG2 GLU 39 HG2 GLU 39 8.628 -5.275 5.630 290 HG3 GLU 39 HG3 GLU 39 6.905 -4.947 5.791 291 H GLU 40 H GLU 40 8.779 -9.029 3.365 292 HA GLU 40 HA GLU 40 8.310 -10.938 2.226 293 HB2 GLU 40 HB2 GLU 40 9.180 -12.185 4.182 294 HB3 GLU 40 HB3 GLU 40 7.578 -12.150 4.906 295 HG2 GLU 40 HG2 GLU 40 6.787 -13.354 2.791 296 HG3 GLU 40 HG3 GLU 40 8.495 -13.640 2.462 297 H ARG 41 H ARG 41 5.882 -10.225 4.731 298 HA ARG 41 HA ARG 41 3.718 -11.251 3.109 299 HB2 ARG 41 HB2 ARG 41 3.401 -9.620 5.627 300 HB3 ARG 41 HB3 ARG 41 2.300 -10.815 4.957 301 HG2 ARG 41 HG2 ARG 41 4.892 -11.266 6.411 302 HG3 ARG 41 HG3 ARG 41 3.276 -11.826 6.842 303 HD2 ARG 41 HD2 ARG 41 5.066 -12.814 4.626 304 HD3 ARG 41 HD3 ARG 41 4.468 -13.710 6.022 305 HE ARG 41 HE ARG 41 2.186 -13.096 4.785 306 HH11 ARG 41 HH11 ARG 41 5.133 -14.444 3.613 307 HH12 ARG 41 HH12 ARG 41 4.366 -15.228 2.274 308 HH21 ARG 41 HH21 ARG 41 1.212 -14.108 3.085 309 HH22 ARG 41 HH22 ARG 41 2.159 -15.046 1.983 310 H HIS 42 H HIS 42 1.658 -9.708 3.042 311 HA HIS 42 HA HIS 42 2.579 -7.248 1.687 312 HB2 HIS 42 HB2 HIS 42 0.058 -8.879 1.295 313 HB3 HIS 42 HB3 HIS 42 0.393 -7.359 0.473 314 HD1 HIS 42 HD1 HIS 42 1.479 -10.950 0.580 315 HD2 HIS 42 HD2 HIS 42 2.176 -7.525 -1.663 316 HE1 HIS 42 HE1 HIS 42 2.716 -11.722 -1.459 317 HE2 HIS 42 HE2 HIS 42 2.929 -9.669 -2.891 318 H GLN 43 H GLN 43 -0.170 -8.406 3.689 319 HA GLN 43 HA GLN 43 -1.272 -5.760 3.868 320 HB2 GLN 43 HB2 GLN 43 -2.592 -7.915 3.839 321 HB3 GLN 43 HB3 GLN 43 -2.066 -8.177 5.497 322 HG2 GLN 43 HG2 GLN 43 -3.187 -6.142 6.206 323 HG3 GLN 43 HG3 GLN 43 -3.651 -5.797 4.540 324 HE21 GLN 43 HE21 GLN 43 -4.263 -7.753 7.331 325 HE22 GLN 43 HE22 GLN 43 -5.744 -8.440 6.772 326 H VAL 44 H VAL 44 1.089 -7.423 5.702 327 HA VAL 44 HA VAL 44 0.765 -6.468 8.277 328 HB VAL 44 HB VAL 44 3.237 -6.571 8.522 329 HG11 VAL 44 HG11 VAL 44 3.456 -8.973 8.028 330 HG12 VAL 44 HG12 VAL 44 1.992 -8.897 7.046 331 HG13 VAL 44 HG13 VAL 44 1.908 -8.592 8.782 332 HG21 VAL 44 HG21 VAL 44 3.208 -7.137 5.549 333 HG22 VAL 44 HG22 VAL 44 4.607 -7.308 6.611 334 HG23 VAL 44 HG23 VAL 44 3.898 -5.717 6.337 335 H ILE 45 H ILE 45 2.044 -4.744 5.470 336 HA ILE 45 HA ILE 45 3.056 -2.443 6.659 337 HB ILE 45 HB ILE 45 1.522 -2.616 4.052 338 HG12 ILE 45 HG12 ILE 45 4.494 -2.905 4.594 339 HG13 ILE 45 HG13 ILE 45 3.399 -4.220 4.175 340 HG21 ILE 45 HG21 ILE 45 2.805 -0.629 3.393 341 HG22 ILE 45 HG22 ILE 45 3.532 -0.564 4.999 342 HG23 ILE 45 HG23 ILE 45 1.797 -0.308 4.804 343 HD11 ILE 45 HD11 ILE 45 4.698 -3.531 2.255 344 HD12 ILE 45 HD12 ILE 45 4.115 -1.875 2.424 345 HD13 ILE 45 HD13 ILE 45 2.992 -3.168 2.000 346 H ARG 46 H ARG 46 -0.278 -3.226 5.793 347 HA ARG 46 HA ARG 46 -1.546 -0.808 6.365 348 HB2 ARG 46 HB2 ARG 46 -2.785 -2.450 5.226 349 HB3 ARG 46 HB3 ARG 46 -2.436 -3.681 6.426 350 HG2 ARG 46 HG2 ARG 46 -3.952 -2.625 8.003 351 HG3 ARG 46 HG3 ARG 46 -4.249 -1.306 6.866 352 HD2 ARG 46 HD2 ARG 46 -5.362 -2.737 5.344 353 HD3 ARG 46 HD3 ARG 46 -4.785 -4.186 6.164 354 HE ARG 46 HE ARG 46 -6.279 -3.535 8.032 355 HH11 ARG 46 HH11 ARG 46 -6.887 -2.137 4.951 356 HH12 ARG 46 HH12 ARG 46 -8.599 -2.115 5.175 357 HH21 ARG 46 HH21 ARG 46 -8.474 -3.497 8.317 358 HH22 ARG 46 HH22 ARG 46 -9.489 -2.883 7.056 359 H ALA 47 H ALA 47 -0.280 -3.205 8.558 360 HA ALA 47 HA ALA 47 -1.655 -2.126 10.878 361 HB1 ALA 47 HB1 ALA 47 -1.174 -4.523 10.747 362 HB2 ALA 47 HB2 ALA 47 -0.384 -3.791 12.143 363 HB3 ALA 47 HB3 ALA 47 0.555 -4.181 10.701 364 H TYR 48 H TYR 48 1.693 -2.206 9.645 365 HA TYR 48 HA TYR 48 2.799 -0.816 11.855 366 HB2 TYR 48 HB2 TYR 48 3.893 -1.318 9.086 367 HB3 TYR 48 HB3 TYR 48 4.822 -0.572 10.383 368 HD1 TYR 48 HD1 TYR 48 5.242 -1.899 12.502 369 HD2 TYR 48 HD2 TYR 48 3.650 -3.681 8.975 370 HE1 TYR 48 HE1 TYR 48 5.844 -4.124 13.358 371 HE2 TYR 48 HE2 TYR 48 4.244 -5.908 9.828 372 HH TYR 48 HH TYR 48 5.127 -6.458 13.055 373 H VAL 49 H VAL 49 1.623 0.364 8.701 374 HA VAL 49 HA VAL 49 2.659 2.955 8.821 375 HB VAL 49 HB VAL 49 0.761 3.670 7.388 376 HG11 VAL 49 HG11 VAL 49 2.746 2.675 6.392 377 HG12 VAL 49 HG12 VAL 49 1.303 2.218 5.488 378 HG13 VAL 49 HG13 VAL 49 2.056 1.062 6.586 379 HG21 VAL 49 HG21 VAL 49 -1.022 2.317 8.357 380 HG22 VAL 49 HG22 VAL 49 -0.236 0.843 7.790 381 HG23 VAL 49 HG23 VAL 49 -0.878 2.003 6.628 382 H MET 50 H MET 50 -0.300 1.683 10.300 383 HA MET 50 HA MET 50 -1.205 4.182 11.347 384 HB2 MET 50 HB2 MET 50 -1.858 1.347 12.193 385 HB3 MET 50 HB3 MET 50 -2.714 2.782 12.740 386 HG2 MET 50 HG2 MET 50 -3.427 3.244 10.461 387 HG3 MET 50 HG3 MET 50 -2.540 1.832 9.886 388 HE1 MET 50 HE1 MET 50 -5.671 2.397 9.312 389 HE2 MET 50 HE2 MET 50 -6.306 0.766 9.513 390 HE3 MET 50 HE3 MET 50 -4.774 1.017 8.675 391 H SER 51 H SER 51 1.024 1.749 12.474 392 HA SER 51 HA SER 51 1.062 2.607 15.219 393 HB2 SER 51 HB2 SER 51 1.621 0.306 14.722 394 HB3 SER 51 HB3 SER 51 2.925 0.808 13.649 395 HG SER 51 HG SER 51 3.140 1.841 16.184 396 H ASN 52 H ASN 52 2.891 3.416 12.337 397 HA ASN 52 HA ASN 52 4.884 4.882 13.906 398 HB2 ASN 52 HB2 ASN 52 4.730 4.222 10.961 399 HB3 ASN 52 HB3 ASN 52 5.986 5.239 11.661 400 HD21 ASN 52 HD21 ASN 52 4.743 2.017 11.381 401 HD22 ASN 52 HD22 ASN 52 6.113 1.220 12.059 402 H TYR 53 H TYR 53 2.779 5.592 11.081 403 HA TYR 53 HA TYR 53 3.443 8.394 11.227 404 HB2 TYR 53 HB2 TYR 53 1.410 6.988 9.481 405 HB3 TYR 53 HB3 TYR 53 2.009 8.627 9.259 406 HD1 TYR 53 HD1 TYR 53 4.593 8.861 8.905 407 HD2 TYR 53 HD2 TYR 53 2.445 5.226 8.355 408 HE1 TYR 53 HE1 TYR 53 6.404 8.014 7.477 409 HE2 TYR 53 HE2 TYR 53 4.253 4.369 6.925 410 HH TYR 53 HH TYR 53 7.312 5.916 6.667 411 H THR 54 H THR 54 1.960 10.121 11.440 412 HA THR 54 HA THR 54 -0.386 9.542 13.135 413 HB THR 54 HB THR 54 -0.293 11.943 13.775 414 HG1 THR 54 HG1 THR 54 0.737 13.043 12.222 415 HG21 THR 54 HG21 THR 54 0.864 10.268 15.158 416 HG22 THR 54 HG22 THR 54 1.718 11.812 15.169 417 HG23 THR 54 HG23 THR 54 2.323 10.475 14.189 418 H ASP 55 H ASP 55 0.663 11.306 10.262 419 HA ASP 55 HA ASP 55 -1.891 12.492 9.719 420 HB2 ASP 55 HB2 ASP 55 0.553 12.167 7.959 421 HB3 ASP 55 HB3 ASP 55 -0.852 13.152 7.561 422 H HIS 56 H HIS 56 -3.586 11.638 8.692 423 HA HIS 56 HA HIS 56 -3.805 8.969 7.917 424 HB2 HIS 56 HB2 HIS 56 -5.440 11.290 6.848 425 HB3 HIS 56 HB3 HIS 56 -5.908 9.591 6.831 426 HD1 HIS 56 HD1 HIS 56 -6.662 12.509 8.583 427 HD2 HIS 56 HD2 HIS 56 -5.787 8.635 9.790 428 HE1 HIS 56 HE1 HIS 56 -7.638 12.291 10.880 429 HE2 HIS 56 HE2 HIS 56 -7.311 9.871 11.473 430 H GLN 57 H GLN 57 -2.768 11.756 6.074 431 HA GLN 57 HA GLN 57 -2.978 10.767 3.469 432 HB2 GLN 57 HB2 GLN 57 -0.998 12.746 4.621 433 HB3 GLN 57 HB3 GLN 57 -1.195 12.436 2.903 434 HG2 GLN 57 HG2 GLN 57 -2.387 14.423 3.411 435 HG3 GLN 57 HG3 GLN 57 -3.576 13.159 3.111 436 HE21 GLN 57 HE21 GLN 57 -4.838 12.417 4.824 437 HE22 GLN 57 HE22 GLN 57 -4.951 13.280 6.318 438 H LEU 58 H LEU 58 -0.612 10.061 5.937 439 HA LEU 58 HA LEU 58 1.049 8.587 4.005 440 HB2 LEU 58 HB2 LEU 58 1.542 9.197 6.927 441 HB3 LEU 58 HB3 LEU 58 2.663 8.373 5.858 442 HG LEU 58 HG LEU 58 1.754 11.249 5.581 443 HD11 LEU 58 HD11 LEU 58 3.267 10.903 7.475 444 HD12 LEU 58 HD12 LEU 58 4.039 11.828 6.189 445 HD13 LEU 58 HD13 LEU 58 4.433 10.123 6.406 446 HD21 LEU 58 HD21 LEU 58 2.188 10.246 3.401 447 HD22 LEU 58 HD22 LEU 58 3.764 9.681 3.957 448 HD23 LEU 58 HD23 LEU 58 3.446 11.410 3.815 449 H ILE 59 H ILE 59 -1.476 8.073 6.174 450 HA ILE 59 HA ILE 59 -0.750 5.274 6.730 451 HB ILE 59 HB ILE 59 -2.991 6.956 7.881 452 HG12 ILE 59 HG12 ILE 59 -0.394 6.048 9.162 453 HG13 ILE 59 HG13 ILE 59 -0.717 7.681 8.586 454 HG21 ILE 59 HG21 ILE 59 -3.257 5.123 9.504 455 HG22 ILE 59 HG22 ILE 59 -2.055 4.180 8.622 456 HG23 ILE 59 HG23 ILE 59 -3.585 4.600 7.852 457 HD11 ILE 59 HD11 ILE 59 -2.157 6.255 10.811 458 HD12 ILE 59 HD12 ILE 59 -2.537 7.872 10.219 459 HD13 ILE 59 HD13 ILE 59 -0.978 7.556 10.980 460 H GLU 60 H GLU 60 -3.831 6.956 6.038 461 HA GLU 60 HA GLU 60 -5.060 4.543 5.156 462 HB2 GLU 60 HB2 GLU 60 -6.009 7.414 5.093 463 HB3 GLU 60 HB3 GLU 60 -7.006 6.046 4.610 464 HG2 GLU 60 HG2 GLU 60 -6.748 5.085 6.871 465 HG3 GLU 60 HG3 GLU 60 -5.806 6.494 7.344 466 H THR 61 H THR 61 -3.483 7.185 3.468 467 HA THR 61 HA THR 61 -4.281 6.606 0.838 468 HB THR 61 HB THR 61 -1.525 7.494 1.755 469 HG1 THR 61 HG1 THR 61 -2.304 9.522 1.662 470 HG21 THR 61 HG21 THR 61 -1.530 6.662 -0.563 471 HG22 THR 61 HG22 THR 61 -1.277 8.409 -0.502 472 HG23 THR 61 HG23 THR 61 -2.854 7.762 -0.949 473 H THR 62 H THR 62 -1.484 5.365 2.662 474 HA THR 62 HA THR 62 -0.559 3.453 0.856 475 HB THR 62 HB THR 62 -0.536 3.239 3.886 476 HG1 THR 62 HG1 THR 62 1.045 4.678 3.870 477 HG21 THR 62 HG21 THR 62 0.111 1.154 2.735 478 HG22 THR 62 HG22 THR 62 1.481 1.888 3.568 479 HG23 THR 62 HG23 THR 62 1.327 2.045 1.818 480 H ASN 63 H ASN 63 -2.857 3.046 3.563 481 HA ASN 63 HA ASN 63 -3.464 0.348 3.207 482 HB2 ASN 63 HB2 ASN 63 -4.167 1.556 5.189 483 HB3 ASN 63 HB3 ASN 63 -5.215 2.598 4.230 484 HD21 ASN 63 HD21 ASN 63 -7.170 1.800 3.487 485 HD22 ASN 63 HD22 ASN 63 -7.855 0.333 4.080 486 H ARG 64 H ARG 64 -4.998 3.191 1.719 487 HA ARG 64 HA ARG 64 -7.046 1.868 0.337 488 HB2 ARG 64 HB2 ARG 64 -6.933 4.321 0.625 489 HB3 ARG 64 HB3 ARG 64 -5.546 4.381 -0.454 490 HG2 ARG 64 HG2 ARG 64 -6.915 3.645 -2.317 491 HG3 ARG 64 HG3 ARG 64 -8.312 3.463 -1.251 492 HD2 ARG 64 HD2 ARG 64 -8.243 5.877 -0.773 493 HD3 ARG 64 HD3 ARG 64 -6.859 6.045 -1.852 494 HE ARG 64 HE ARG 64 -8.852 4.892 -3.365 495 HH11 ARG 64 HH11 ARG 64 -8.534 7.796 -1.529 496 HH12 ARG 64 HH12 ARG 64 -9.522 8.714 -2.611 497 HH21 ARG 64 HH21 ARG 64 -10.123 6.081 -4.731 498 HH22 ARG 64 HH22 ARG 64 -10.406 7.756 -4.406 499 H ALA 65 H ALA 65 -3.731 2.683 -0.703 500 HA ALA 65 HA ALA 65 -3.847 1.589 -3.285 501 HB1 ALA 65 HB1 ALA 65 -2.026 3.030 -2.497 502 HB2 ALA 65 HB2 ALA 65 -1.413 1.532 -3.196 503 HB3 ALA 65 HB3 ALA 65 -1.456 1.733 -1.445 504 H ILE 66 H ILE 66 -3.027 0.051 -0.179 505 HA ILE 66 HA ILE 66 -2.422 -2.526 -1.164 506 HB ILE 66 HB ILE 66 -3.637 -1.777 1.514 507 HG12 ILE 66 HG12 ILE 66 -0.746 -2.243 0.727 508 HG13 ILE 66 HG13 ILE 66 -1.467 -0.676 1.072 509 HG21 ILE 66 HG21 ILE 66 -3.955 -4.150 1.043 510 HG22 ILE 66 HG22 ILE 66 -2.754 -3.928 2.315 511 HG23 ILE 66 HG23 ILE 66 -2.238 -4.325 0.675 512 HD11 ILE 66 HD11 ILE 66 -0.168 -1.473 2.952 513 HD12 ILE 66 HD12 ILE 66 -1.137 -2.946 3.024 514 HD13 ILE 66 HD13 ILE 66 -1.877 -1.385 3.377 515 H SER 67 H SER 67 -5.489 -1.120 -0.048 516 HA SER 67 HA SER 67 -7.088 -3.419 -0.307 517 HB2 SER 67 HB2 SER 67 -7.806 -1.422 0.948 518 HB3 SER 67 HB3 SER 67 -7.923 -0.514 -0.558 519 HG SER 67 HG SER 67 -9.433 -2.832 0.128 520 H LEU 68 H LEU 68 -6.337 -0.849 -2.637 521 HA LEU 68 HA LEU 68 -7.983 -1.888 -4.728 522 HB2 LEU 68 HB2 LEU 68 -5.593 -0.038 -4.859 523 HB3 LEU 68 HB3 LEU 68 -6.685 -0.359 -6.194 524 HG LEU 68 HG LEU 68 -7.452 0.978 -3.588 525 HD11 LEU 68 HD11 LEU 68 -7.691 3.003 -4.928 526 HD12 LEU 68 HD12 LEU 68 -7.110 2.142 -6.353 527 HD13 LEU 68 HD13 LEU 68 -6.035 2.401 -4.978 528 HD21 LEU 68 HD21 LEU 68 -9.312 -0.289 -4.512 529 HD22 LEU 68 HD22 LEU 68 -9.074 0.470 -6.088 530 HD23 LEU 68 HD23 LEU 68 -9.594 1.440 -4.710 531 H TYR 69 H TYR 69 -4.559 -2.248 -3.892 532 HA TYR 69 HA TYR 69 -3.631 -3.642 -6.117 533 HB2 TYR 69 HB2 TYR 69 -2.154 -2.779 -4.363 534 HB3 TYR 69 HB3 TYR 69 -2.813 -3.933 -3.212 535 HD1 TYR 69 HD1 TYR 69 -0.724 -3.583 -6.250 536 HD2 TYR 69 HD2 TYR 69 -2.017 -6.195 -3.142 537 HE1 TYR 69 HE1 TYR 69 1.022 -5.194 -6.879 538 HE2 TYR 69 HE2 TYR 69 -0.274 -7.813 -3.767 539 HH TYR 69 HH TYR 69 1.076 -8.390 -5.776 540 H MET 70 H MET 70 -4.802 -5.070 -3.039 541 HA MET 70 HA MET 70 -4.704 -7.737 -3.942 542 HB2 MET 70 HB2 MET 70 -6.099 -8.293 -2.012 543 HB3 MET 70 HB3 MET 70 -4.819 -7.176 -1.563 544 HG2 MET 70 HG2 MET 70 -6.398 -5.331 -1.568 545 HG3 MET 70 HG3 MET 70 -7.689 -6.416 -2.084 546 HE1 MET 70 HE1 MET 70 -8.646 -8.407 -0.555 547 HE2 MET 70 HE2 MET 70 -8.011 -8.782 1.048 548 HE3 MET 70 HE3 MET 70 -7.007 -9.036 -0.380 549 H ALA 71 H ALA 71 -7.309 -5.342 -4.079 550 HA ALA 71 HA ALA 71 -9.407 -7.017 -4.882 551 HB1 ALA 71 HB1 ALA 71 -8.973 -4.123 -5.634 552 HB2 ALA 71 HB2 ALA 71 -9.706 -4.694 -4.135 553 HB3 ALA 71 HB3 ALA 71 -10.504 -4.998 -5.676 554 H ASN 72 H ASN 72 -7.065 -5.199 -6.850 555 HA ASN 72 HA ASN 72 -7.972 -5.890 -9.399 556 HB2 ASN 72 HB2 ASN 72 -6.246 -4.184 -8.966 557 HB3 ASN 72 HB3 ASN 72 -5.117 -5.438 -8.465 558 HD21 ASN 72 HD21 ASN 72 -3.624 -4.955 -10.038 559 HD22 ASN 72 HD22 ASN 72 -3.884 -5.270 -11.712 560 H LEU 73 H LEU 73 -5.657 -7.586 -7.300 561 HA LEU 73 HA LEU 73 -5.014 -9.655 -9.102 562 HB2 LEU 73 HB2 LEU 73 -3.744 -8.971 -7.034 563 HB3 LEU 73 HB3 LEU 73 -4.958 -9.794 -6.081 564 HG LEU 73 HG LEU 73 -2.783 -11.043 -6.477 565 HD11 LEU 73 HD11 LEU 73 -4.768 -12.205 -5.683 566 HD12 LEU 73 HD12 LEU 73 -3.847 -13.218 -6.791 567 HD13 LEU 73 HD13 LEU 73 -5.324 -12.428 -7.342 568 HD21 LEU 73 HD21 LEU 73 -2.480 -10.446 -8.825 569 HD22 LEU 73 HD22 LEU 73 -3.921 -11.365 -9.256 570 HD23 LEU 73 HD23 LEU 73 -2.505 -12.195 -8.610 571 H GLU 74 H GLU 74 -7.130 -9.848 -6.209 572 HA GLU 74 HA GLU 74 -7.954 -12.467 -6.572 573 HB2 GLU 74 HB2 GLU 74 -9.892 -11.892 -5.120 574 HB3 GLU 74 HB3 GLU 74 -8.344 -11.351 -4.485 575 HG2 GLU 74 HG2 GLU 74 -8.813 -9.080 -5.279 576 HG3 GLU 74 HG3 GLU 74 -10.364 -9.626 -5.913 577 H HIS 75 H HIS 75 -9.561 -9.520 -7.812 578 HA HIS 75 HA HIS 75 -11.822 -10.910 -8.837 579 HB2 HIS 75 HB2 HIS 75 -10.721 -8.199 -9.614 580 HB3 HIS 75 HB3 HIS 75 -12.313 -8.811 -10.056 581 HD1 HIS 75 HD1 HIS 75 -11.319 -6.347 -8.040 582 HD2 HIS 75 HD2 HIS 75 -13.264 -9.897 -7.114 583 HE1 HIS 75 HE1 HIS 75 -12.449 -5.939 -5.832 584 HE2 HIS 75 HE2 HIS 75 -13.412 -8.174 -5.195 585 H HIS 76 H HIS 76 -8.766 -9.878 -10.357 586 HA HIS 76 HA HIS 76 -9.517 -11.068 -12.897 587 HB2 HIS 76 HB2 HIS 76 -6.934 -9.820 -11.938 588 HB3 HIS 76 HB3 HIS 76 -7.146 -10.499 -13.551 589 HD1 HIS 76 HD1 HIS 76 -8.886 -9.271 -15.124 590 HD2 HIS 76 HD2 HIS 76 -7.995 -7.290 -11.580 591 HE1 HIS 76 HE1 HIS 76 -9.739 -6.928 -15.426 592 HE2 HIS 76 HE2 HIS 76 -9.037 -5.712 -13.340 593 H HIS 77 H HIS 77 -8.534 -12.353 -10.017 594 HA HIS 77 HA HIS 77 -7.448 -14.758 -11.314 595 HB2 HIS 77 HB2 HIS 77 -6.313 -13.988 -9.262 596 HB3 HIS 77 HB3 HIS 77 -7.824 -14.127 -8.369 597 HD1 HIS 77 HD1 HIS 77 -8.386 -16.388 -7.415 598 HD2 HIS 77 HD2 HIS 77 -5.219 -16.535 -10.097 599 HE1 HIS 77 HE1 HIS 77 -7.473 -18.712 -7.246 600 HE2 HIS 77 HE2 HIS 77 -5.686 -18.831 -9.007 601 H HIS 78 H HIS 78 -10.356 -13.407 -10.155 602 HA HIS 78 HA HIS 78 -11.739 -15.981 -10.008 603 HB2 HIS 78 HB2 HIS 78 -12.233 -14.164 -8.358 604 HB3 HIS 78 HB3 HIS 78 -12.853 -13.178 -9.677 605 HD1 HIS 78 HD1 HIS 78 -15.329 -13.220 -9.727 606 HD2 HIS 78 HD2 HIS 78 -13.758 -16.835 -8.410 607 HE1 HIS 78 HE1 HIS 78 -17.315 -14.685 -9.255 608 HE2 HIS 78 HE2 HIS 78 -16.341 -16.791 -8.291 609 H HIS 79 H HIS 79 -11.330 -13.247 -12.140 610 HA HIS 79 HA HIS 79 -12.733 -14.698 -14.264 611 HB2 HIS 79 HB2 HIS 79 -13.367 -11.907 -13.335 612 HB3 HIS 79 HB3 HIS 79 -13.608 -12.351 -15.022 613 HD1 HIS 79 HD1 HIS 79 -15.329 -14.341 -15.454 614 HD2 HIS 79 HD2 HIS 79 -15.369 -12.705 -11.637 615 HE1 HIS 79 HE1 HIS 79 -17.486 -15.099 -14.422 616 HE2 HIS 79 HE2 HIS 79 -17.580 -13.920 -12.205 617 H HIS 80 H HIS 80 -12.501 -12.885 -16.293 618 HA HIS 80 HA HIS 80 -9.776 -13.134 -17.056 619 HB2 HIS 80 HB2 HIS 80 -11.685 -13.226 -18.632 620 HB3 HIS 80 HB3 HIS 80 -11.999 -11.520 -18.339 621 HD1 HIS 80 HD1 HIS 80 -10.405 -9.815 -19.439 622 HD2 HIS 80 HD2 HIS 80 -9.499 -13.777 -20.312 623 HE1 HIS 80 HE1 HIS 80 -8.782 -9.728 -21.350 624 HE2 HIS 80 HE2 HIS 80 -8.362 -12.133 -21.951 Start of MODEL 7 1 H1 MET 1 H1 MET 1 14.596 -12.914 -2.396 2 H2 MET 1 H2 MET 1 14.601 -14.159 -3.537 3 H3 MET 1 H3 MET 1 13.450 -14.157 -2.300 4 HA MET 1 HA MET 1 12.404 -12.205 -3.164 5 HB2 MET 1 HB2 MET 1 14.473 -12.349 -5.376 6 HB3 MET 1 HB3 MET 1 13.147 -11.199 -5.275 7 HG2 MET 1 HG2 MET 1 15.178 -10.120 -4.606 8 HG3 MET 1 HG3 MET 1 14.129 -10.295 -3.200 9 HE1 MET 1 HE1 MET 1 17.368 -11.578 -5.026 10 HE2 MET 1 HE2 MET 1 16.363 -13.028 -4.981 11 HE3 MET 1 HE3 MET 1 17.832 -12.942 -4.011 12 H ALA 2 H ALA 2 10.550 -13.200 -3.697 13 HA ALA 2 HA ALA 2 10.599 -15.288 -5.785 14 HB1 ALA 2 HB1 ALA 2 8.523 -14.826 -3.639 15 HB2 ALA 2 HB2 ALA 2 9.811 -16.028 -3.579 16 HB3 ALA 2 HB3 ALA 2 8.548 -16.151 -4.804 17 H GLY 3 H GLY 3 10.447 -13.907 -7.587 18 HA2 GLY 3 HA2 GLY 3 9.263 -12.931 -9.299 19 HA3 GLY 3 HA3 GLY 3 7.793 -13.366 -8.443 20 H ASP 4 H ASP 4 6.851 -11.864 -7.022 21 HA ASP 4 HA ASP 4 7.707 -9.082 -7.469 22 HB2 ASP 4 HB2 ASP 4 5.311 -8.502 -7.055 23 HB3 ASP 4 HB3 ASP 4 5.565 -9.514 -8.471 24 HA PRO 5 HA PRO 5 8.371 -9.392 -2.960 25 HB2 PRO 5 HB2 PRO 5 10.275 -7.480 -2.812 26 HB3 PRO 5 HB3 PRO 5 10.628 -9.119 -3.371 27 HG2 PRO 5 HG2 PRO 5 10.172 -6.629 -4.974 28 HG3 PRO 5 HG3 PRO 5 11.389 -7.899 -5.202 29 HD2 PRO 5 HD2 PRO 5 9.069 -7.743 -6.648 30 HD3 PRO 5 HD3 PRO 5 9.924 -9.265 -6.332 31 H MET 6 H MET 6 8.285 -6.207 -4.654 32 HA MET 6 HA MET 6 6.461 -5.244 -2.540 33 HB2 MET 6 HB2 MET 6 8.717 -3.651 -3.776 34 HB3 MET 6 HB3 MET 6 7.557 -3.054 -2.597 35 HG2 MET 6 HG2 MET 6 8.400 -4.723 -0.977 36 HG3 MET 6 HG3 MET 6 9.623 -5.202 -2.156 37 HE1 MET 6 HE1 MET 6 11.597 -4.765 -0.477 38 HE2 MET 6 HE2 MET 6 10.426 -4.351 0.774 39 HE3 MET 6 HE3 MET 6 11.790 -3.278 0.454 40 H THR 7 H THR 7 4.754 -5.731 -4.025 41 HA THR 7 HA THR 7 4.414 -4.576 -6.562 42 HB THR 7 HB THR 7 1.966 -4.932 -6.184 43 HG1 THR 7 HG1 THR 7 1.375 -5.921 -4.160 44 HG21 THR 7 HG21 THR 7 2.085 -7.381 -5.923 45 HG22 THR 7 HG22 THR 7 3.748 -7.236 -5.350 46 HG23 THR 7 HG23 THR 7 3.342 -6.783 -7.005 47 H PHE 8 H PHE 8 3.234 -3.479 -3.392 48 HA PHE 8 HA PHE 8 1.956 -1.149 -4.090 49 HB2 PHE 8 HB2 PHE 8 1.830 -1.962 -1.841 50 HB3 PHE 8 HB3 PHE 8 3.569 -1.801 -1.619 51 HD1 PHE 8 HD1 PHE 8 0.489 0.187 -2.249 52 HD2 PHE 8 HD2 PHE 8 4.456 0.156 -0.696 53 HE1 PHE 8 HE1 PHE 8 0.157 2.453 -1.357 54 HE2 PHE 8 HE2 PHE 8 4.124 2.422 0.201 55 HZ PHE 8 HZ PHE 8 1.974 3.575 -0.129 56 H TYR 9 H TYR 9 5.436 -1.484 -3.310 57 HA TYR 9 HA TYR 9 6.150 1.202 -3.518 58 HB2 TYR 9 HB2 TYR 9 7.620 -0.600 -2.633 59 HB3 TYR 9 HB3 TYR 9 7.867 -1.178 -4.276 60 HD1 TYR 9 HD1 TYR 9 8.387 1.770 -2.060 61 HD2 TYR 9 HD2 TYR 9 9.567 -0.238 -5.630 62 HE1 TYR 9 HE1 TYR 9 10.278 3.321 -2.305 63 HE2 TYR 9 HE2 TYR 9 11.462 1.308 -5.877 64 HH TYR 9 HH TYR 9 12.480 3.370 -3.383 65 H ASN 10 H ASN 10 6.095 -1.272 -6.070 66 HA ASN 10 HA ASN 10 7.106 0.374 -8.135 67 HB2 ASN 10 HB2 ASN 10 7.171 -2.054 -8.275 68 HB3 ASN 10 HB3 ASN 10 5.411 -2.133 -8.264 69 HD21 ASN 10 HD21 ASN 10 4.289 -1.677 -10.124 70 HD22 ASN 10 HD22 ASN 10 5.058 -1.486 -11.660 71 H PHE 11 H PHE 11 3.952 0.145 -6.732 72 HA PHE 11 HA PHE 11 2.641 1.417 -9.015 73 HB2 PHE 11 HB2 PHE 11 1.480 -0.407 -7.862 74 HB3 PHE 11 HB3 PHE 11 1.533 0.496 -6.353 75 HD1 PHE 11 HD1 PHE 11 0.251 0.730 -9.848 76 HD2 PHE 11 HD2 PHE 11 -0.261 1.853 -5.768 77 HE1 PHE 11 HE1 PHE 11 -1.913 1.753 -10.403 78 HE2 PHE 11 HE2 PHE 11 -2.429 2.879 -6.322 79 HZ PHE 11 HZ PHE 11 -3.259 2.829 -8.641 80 H ILE 12 H ILE 12 3.304 2.134 -5.591 81 HA ILE 12 HA ILE 12 1.887 4.535 -5.435 82 HB ILE 12 HB ILE 12 2.656 3.273 -3.461 83 HG12 ILE 12 HG12 ILE 12 3.297 5.228 -2.077 84 HG13 ILE 12 HG13 ILE 12 3.615 6.147 -3.544 85 HG21 ILE 12 HG21 ILE 12 5.389 4.353 -4.153 86 HG22 ILE 12 HG22 ILE 12 4.887 2.662 -4.198 87 HG23 ILE 12 HG23 ILE 12 4.969 3.517 -2.658 88 HD11 ILE 12 HD11 ILE 12 1.258 5.959 -4.163 89 HD12 ILE 12 HD12 ILE 12 1.467 6.730 -2.591 90 HD13 ILE 12 HD13 ILE 12 0.949 5.047 -2.686 91 H MET 13 H MET 13 5.218 3.943 -6.495 92 HA MET 13 HA MET 13 6.137 6.591 -6.479 93 HB2 MET 13 HB2 MET 13 6.886 4.313 -8.322 94 HB3 MET 13 HB3 MET 13 7.764 5.834 -8.223 95 HG2 MET 13 HG2 MET 13 8.194 5.366 -5.819 96 HG3 MET 13 HG3 MET 13 7.437 3.789 -6.034 97 HE1 MET 13 HE1 MET 13 8.455 3.080 -9.027 98 HE2 MET 13 HE2 MET 13 8.399 1.912 -7.705 99 HE3 MET 13 HE3 MET 13 9.880 2.116 -8.642 100 H GLY 14 H GLY 14 3.826 5.095 -8.549 101 HA2 GLY 14 HA2 GLY 14 4.026 6.715 -10.846 102 HA3 GLY 14 HA3 GLY 14 2.568 5.908 -10.289 103 H PHE 15 H PHE 15 2.624 7.364 -7.698 104 HA PHE 15 HA PHE 15 1.322 9.810 -8.602 105 HB2 PHE 15 HB2 PHE 15 1.615 8.677 -5.806 106 HB3 PHE 15 HB3 PHE 15 0.585 10.028 -6.268 107 HD1 PHE 15 HD1 PHE 15 -1.392 9.630 -7.725 108 HD2 PHE 15 HD2 PHE 15 0.911 6.428 -6.115 109 HE1 PHE 15 HE1 PHE 15 -3.233 8.070 -8.202 110 HE2 PHE 15 HE2 PHE 15 -0.929 4.865 -6.590 111 HZ PHE 15 HZ PHE 15 -3.001 5.683 -7.636 112 H GLN 16 H GLN 16 4.440 9.079 -8.044 113 HA GLN 16 HA GLN 16 5.150 11.414 -6.450 114 HB2 GLN 16 HB2 GLN 16 6.261 9.150 -6.195 115 HB3 GLN 16 HB3 GLN 16 7.015 9.420 -7.757 116 HG2 GLN 16 HG2 GLN 16 7.359 11.404 -5.535 117 HG3 GLN 16 HG3 GLN 16 8.333 9.939 -5.591 118 HE21 GLN 16 HE21 GLN 16 9.088 12.774 -5.848 119 HE22 GLN 16 HE22 GLN 16 9.924 12.891 -7.354 120 H ASN 17 H ASN 17 5.169 10.391 -9.801 121 HA ASN 17 HA ASN 17 6.854 12.427 -10.833 122 HB2 ASN 17 HB2 ASN 17 6.169 10.346 -12.066 123 HB3 ASN 17 HB3 ASN 17 4.565 11.045 -12.266 124 HD21 ASN 17 HD21 ASN 17 6.544 10.259 -14.269 125 HD22 ASN 17 HD22 ASN 17 6.843 11.672 -15.215 126 H ASP 18 H ASP 18 3.285 12.227 -11.224 127 HA ASP 18 HA ASP 18 3.124 15.137 -11.170 128 HB2 ASP 18 HB2 ASP 18 0.615 14.649 -11.487 129 HB3 ASP 18 HB3 ASP 18 1.702 14.252 -12.812 130 H ASN 19 H ASN 19 3.154 16.108 -9.279 131 HA ASN 19 HA ASN 19 2.942 14.848 -6.807 132 HB2 ASN 19 HB2 ASN 19 2.773 17.769 -7.556 133 HB3 ASN 19 HB3 ASN 19 2.776 17.211 -5.883 134 HD21 ASN 19 HD21 ASN 19 4.726 18.844 -7.333 135 HD22 ASN 19 HD22 ASN 19 6.229 18.007 -7.182 136 H THR 20 H THR 20 1.238 13.941 -5.948 137 HA THR 20 HA THR 20 -1.349 15.379 -5.905 138 HB THR 20 HB THR 20 -2.504 13.185 -5.945 139 HG1 THR 20 HG1 THR 20 -0.191 11.868 -6.817 140 HG21 THR 20 HG21 THR 20 -2.201 14.353 -8.075 141 HG22 THR 20 HG22 THR 20 -2.105 12.606 -8.305 142 HG23 THR 20 HG23 THR 20 -0.632 13.576 -8.290 143 HA PRO 21 HA PRO 21 -1.572 14.708 -1.428 144 HB2 PRO 21 HB2 PRO 21 -4.004 13.039 -1.960 145 HB3 PRO 21 HB3 PRO 21 -3.770 14.343 -0.787 146 HG2 PRO 21 HG2 PRO 21 -5.134 14.787 -3.027 147 HG3 PRO 21 HG3 PRO 21 -4.013 16.012 -2.399 148 HD2 PRO 21 HD2 PRO 21 -3.682 14.138 -4.707 149 HD3 PRO 21 HD3 PRO 21 -3.104 15.807 -4.516 150 H PHE 22 H PHE 22 -1.929 11.991 -3.626 151 HA PHE 22 HA PHE 22 -1.175 9.973 -1.711 152 HB2 PHE 22 HB2 PHE 22 -1.225 9.855 -4.743 153 HB3 PHE 22 HB3 PHE 22 -1.116 8.474 -3.656 154 HD1 PHE 22 HD1 PHE 22 -3.066 7.705 -2.413 155 HD2 PHE 22 HD2 PHE 22 -3.321 11.039 -5.059 156 HE1 PHE 22 HE1 PHE 22 -5.519 7.559 -2.355 157 HE2 PHE 22 HE2 PHE 22 -5.778 10.894 -5.002 158 HZ PHE 22 HZ PHE 22 -6.875 9.153 -3.651 159 H GLY 23 H GLY 23 0.442 11.968 -4.104 160 HA2 GLY 23 HA2 GLY 23 2.930 10.691 -4.261 161 HA3 GLY 23 HA3 GLY 23 2.658 12.406 -4.517 162 H ILE 24 H ILE 24 1.629 12.761 -1.756 163 HA ILE 24 HA ILE 24 3.911 13.537 -0.382 164 HB ILE 24 HB ILE 24 1.268 12.662 0.817 165 HG12 ILE 24 HG12 ILE 24 0.976 14.425 -0.847 166 HG13 ILE 24 HG13 ILE 24 0.702 15.068 0.767 167 HG21 ILE 24 HG21 ILE 24 1.860 14.084 2.729 168 HG22 ILE 24 HG22 ILE 24 3.440 14.394 2.007 169 HG23 ILE 24 HG23 ILE 24 3.008 12.762 2.518 170 HD11 ILE 24 HD11 ILE 24 3.183 15.434 -0.903 171 HD12 ILE 24 HD12 ILE 24 2.958 16.040 0.739 172 HD13 ILE 24 HD13 ILE 24 1.944 16.645 -0.570 173 H LEU 25 H LEU 25 2.236 10.418 -0.299 174 HA LEU 25 HA LEU 25 4.061 9.269 1.635 175 HB2 LEU 25 HB2 LEU 25 1.652 8.632 1.464 176 HB3 LEU 25 HB3 LEU 25 1.971 7.935 -0.109 177 HG LEU 25 HG LEU 25 1.769 6.332 1.865 178 HD11 LEU 25 HD11 LEU 25 4.302 6.163 0.239 179 HD12 LEU 25 HD12 LEU 25 2.700 5.661 -0.300 180 HD13 LEU 25 HD13 LEU 25 3.478 4.828 1.046 181 HD21 LEU 25 HD21 LEU 25 3.728 5.999 3.258 182 HD22 LEU 25 HD22 LEU 25 3.105 7.635 3.457 183 HD23 LEU 25 HD23 LEU 25 4.544 7.354 2.477 184 H ALA 26 H ALA 26 3.552 9.176 -1.862 185 HA ALA 26 HA ALA 26 5.290 7.133 -2.596 186 HB1 ALA 26 HB1 ALA 26 5.375 8.184 -4.793 187 HB2 ALA 26 HB2 ALA 26 4.736 9.683 -4.114 188 HB3 ALA 26 HB3 ALA 26 3.737 8.230 -4.141 189 H GLU 27 H GLU 27 6.047 10.587 -2.085 190 HA GLU 27 HA GLU 27 8.807 10.273 -2.730 191 HB2 GLU 27 HB2 GLU 27 7.516 12.473 -1.102 192 HB3 GLU 27 HB3 GLU 27 9.110 12.523 -1.846 193 HG2 GLU 27 HG2 GLU 27 7.799 12.090 -4.056 194 HG3 GLU 27 HG3 GLU 27 6.414 12.669 -3.134 195 H HIS 28 H HIS 28 6.956 9.971 0.241 196 HA HIS 28 HA HIS 28 9.081 9.965 2.089 197 HB2 HIS 28 HB2 HIS 28 6.763 10.130 2.829 198 HB3 HIS 28 HB3 HIS 28 6.423 8.514 2.218 199 HD1 HIS 28 HD1 HIS 28 8.215 10.298 5.005 200 HD2 HIS 28 HD2 HIS 28 7.194 6.419 3.899 201 HE1 HIS 28 HE1 HIS 28 8.721 8.870 7.004 202 HE2 HIS 28 HE2 HIS 28 8.214 6.514 6.279 203 H VAL 29 H VAL 29 7.497 7.206 0.431 204 HA VAL 29 HA VAL 29 9.259 5.248 1.495 205 HB VAL 29 HB VAL 29 8.426 3.733 -0.252 206 HG11 VAL 29 HG11 VAL 29 6.054 3.774 0.383 207 HG12 VAL 29 HG12 VAL 29 6.256 5.405 1.025 208 HG13 VAL 29 HG13 VAL 29 7.106 4.050 1.772 209 HG21 VAL 29 HG21 VAL 29 6.767 4.493 -1.892 210 HG22 VAL 29 HG22 VAL 29 8.316 5.304 -2.121 211 HG23 VAL 29 HG23 VAL 29 6.982 6.156 -1.343 212 H SER 30 H SER 30 9.479 7.365 -1.292 213 HA SER 30 HA SER 30 11.797 6.153 -2.449 214 HB2 SER 30 HB2 SER 30 10.435 7.649 -3.794 215 HB3 SER 30 HB3 SER 30 10.705 8.973 -2.661 216 HG SER 30 HG SER 30 12.148 8.336 -4.774 217 H GLU 31 H GLU 31 11.273 8.515 0.078 218 HA GLU 31 HA GLU 31 13.971 9.436 0.274 219 HB2 GLU 31 HB2 GLU 31 12.051 10.782 1.004 220 HB3 GLU 31 HB3 GLU 31 11.671 9.592 2.242 221 HG2 GLU 31 HG2 GLU 31 13.779 10.084 3.372 222 HG3 GLU 31 HG3 GLU 31 14.186 11.254 2.115 223 H ASP 32 H ASP 32 12.030 7.138 2.190 224 HA ASP 32 HA ASP 32 14.401 6.457 3.786 225 HB2 ASP 32 HB2 ASP 32 12.203 7.115 4.854 226 HB3 ASP 32 HB3 ASP 32 11.531 5.608 4.241 227 H LYS 33 H LYS 33 13.757 5.476 0.956 228 HA LYS 33 HA LYS 33 13.027 2.743 1.046 229 HB2 LYS 33 HB2 LYS 33 13.772 2.639 -1.266 230 HB3 LYS 33 HB3 LYS 33 12.872 4.121 -0.983 231 HG2 LYS 33 HG2 LYS 33 15.051 5.323 -0.757 232 HG3 LYS 33 HG3 LYS 33 15.862 3.829 -1.236 233 HD2 LYS 33 HD2 LYS 33 14.606 3.853 -3.363 234 HD3 LYS 33 HD3 LYS 33 13.839 5.368 -2.880 235 HE2 LYS 33 HE2 LYS 33 16.120 6.385 -2.734 236 HE3 LYS 33 HE3 LYS 33 16.772 4.894 -3.414 237 HZ1 LYS 33 HZ1 LYS 33 16.501 6.336 -5.214 238 HZ2 LYS 33 HZ2 LYS 33 14.974 6.853 -4.704 239 HZ3 LYS 33 HZ3 LYS 33 15.175 5.292 -5.316 240 H ALA 34 H ALA 34 15.907 4.168 2.081 241 HA ALA 34 HA ALA 34 17.763 2.156 1.211 242 HB1 ALA 34 HB1 ALA 34 18.106 4.277 3.332 243 HB2 ALA 34 HB2 ALA 34 18.441 4.486 1.613 244 HB3 ALA 34 HB3 ALA 34 19.394 3.347 2.565 245 H PHE 35 H PHE 35 15.341 1.647 3.230 246 HA PHE 35 HA PHE 35 16.927 0.096 5.177 247 HB2 PHE 35 HB2 PHE 35 15.306 1.836 6.050 248 HB3 PHE 35 HB3 PHE 35 14.001 0.842 5.412 249 HD1 PHE 35 HD1 PHE 35 16.589 1.131 7.987 250 HD2 PHE 35 HD2 PHE 35 13.409 -1.265 6.476 251 HE1 PHE 35 HE1 PHE 35 16.578 -0.163 10.077 252 HE2 PHE 35 HE2 PHE 35 13.394 -2.564 8.568 253 HZ PHE 35 HZ PHE 35 14.979 -2.012 10.372 254 HA PRO 36 HA PRO 36 15.349 -3.208 2.442 255 HB2 PRO 36 HB2 PRO 36 17.185 -5.078 3.139 256 HB3 PRO 36 HB3 PRO 36 17.539 -3.770 2.003 257 HG2 PRO 36 HG2 PRO 36 18.195 -3.972 4.924 258 HG3 PRO 36 HG3 PRO 36 19.218 -3.419 3.585 259 HD2 PRO 36 HD2 PRO 36 17.932 -1.706 5.257 260 HD3 PRO 36 HD3 PRO 36 18.260 -1.319 3.556 261 H ARG 37 H ARG 37 13.395 -3.726 3.388 262 HA ARG 37 HA ARG 37 13.313 -5.017 5.993 263 HB2 ARG 37 HB2 ARG 37 11.077 -4.218 4.114 264 HB3 ARG 37 HB3 ARG 37 10.855 -4.837 5.748 265 HG2 ARG 37 HG2 ARG 37 12.063 -2.899 6.647 266 HG3 ARG 37 HG3 ARG 37 12.281 -2.279 5.011 267 HD2 ARG 37 HD2 ARG 37 10.436 -1.151 6.155 268 HD3 ARG 37 HD3 ARG 37 9.863 -2.062 4.758 269 HE ARG 37 HE ARG 37 8.826 -3.585 6.196 270 HH11 ARG 37 HH11 ARG 37 10.423 -1.091 7.962 271 HH12 ARG 37 HH12 ARG 37 9.619 -1.476 9.440 272 HH21 ARG 37 HH21 ARG 37 7.804 -4.067 8.078 273 HH22 ARG 37 HH22 ARG 37 8.152 -3.155 9.512 274 H LEU 38 H LEU 38 12.700 -5.890 2.617 275 HA LEU 38 HA LEU 38 12.370 -7.872 1.554 276 HB2 LEU 38 HB2 LEU 38 14.090 -8.707 3.871 277 HB3 LEU 38 HB3 LEU 38 13.537 -9.884 2.697 278 HG LEU 38 HG LEU 38 14.655 -8.574 0.899 279 HD11 LEU 38 HD11 LEU 38 14.649 -6.376 1.952 280 HD12 LEU 38 HD12 LEU 38 16.282 -6.858 1.495 281 HD13 LEU 38 HD13 LEU 38 15.775 -6.950 3.184 282 HD21 LEU 38 HD21 LEU 38 15.774 -10.484 1.890 283 HD22 LEU 38 HD22 LEU 38 16.428 -9.466 3.173 284 HD23 LEU 38 HD23 LEU 38 16.945 -9.224 1.503 285 H GLU 39 H GLU 39 10.412 -7.109 3.798 286 HA GLU 39 HA GLU 39 9.445 -9.443 5.018 287 HB2 GLU 39 HB2 GLU 39 7.917 -6.934 4.291 288 HB3 GLU 39 HB3 GLU 39 7.369 -8.170 5.415 289 HG2 GLU 39 HG2 GLU 39 9.307 -7.687 6.858 290 HG3 GLU 39 HG3 GLU 39 9.798 -6.412 5.743 291 H GLU 40 H GLU 40 8.695 -7.996 1.890 292 HA GLU 40 HA GLU 40 7.742 -8.836 -0.001 293 HB2 GLU 40 HB2 GLU 40 8.888 -10.934 0.426 294 HB3 GLU 40 HB3 GLU 40 7.642 -11.425 1.564 295 HG2 GLU 40 HG2 GLU 40 6.007 -11.419 -0.310 296 HG3 GLU 40 HG3 GLU 40 7.339 -11.084 -1.416 297 H ARG 41 H ARG 41 6.046 -10.124 2.857 298 HA ARG 41 HA ARG 41 3.490 -10.161 1.657 299 HB2 ARG 41 HB2 ARG 41 4.210 -10.098 4.597 300 HB3 ARG 41 HB3 ARG 41 2.676 -10.627 3.910 301 HG2 ARG 41 HG2 ARG 41 5.356 -11.938 3.443 302 HG3 ARG 41 HG3 ARG 41 4.090 -12.527 4.522 303 HD2 ARG 41 HD2 ARG 41 2.659 -13.059 2.740 304 HD3 ARG 41 HD3 ARG 41 3.554 -12.057 1.602 305 HE ARG 41 HE ARG 41 5.223 -13.732 1.478 306 HH11 ARG 41 HH11 ARG 41 2.563 -14.666 3.457 307 HH12 ARG 41 HH12 ARG 41 2.842 -16.357 3.217 308 HH21 ARG 41 HH21 ARG 41 5.564 -15.904 1.170 309 HH22 ARG 41 HH22 ARG 41 4.515 -17.049 1.933 310 H HIS 42 H HIS 42 2.168 -8.519 1.203 311 HA HIS 42 HA HIS 42 2.953 -5.841 2.024 312 HB2 HIS 42 HB2 HIS 42 0.658 -6.587 0.204 313 HB3 HIS 42 HB3 HIS 42 1.538 -5.061 0.268 314 HD1 HIS 42 HD1 HIS 42 1.330 -7.996 -1.715 315 HD2 HIS 42 HD2 HIS 42 4.460 -5.605 -0.398 316 HE1 HIS 42 HE1 HIS 42 3.268 -8.555 -3.199 317 HE2 HIS 42 HE2 HIS 42 5.206 -7.324 -2.177 318 H GLN 43 H GLN 43 0.455 -8.107 2.826 319 HA GLN 43 HA GLN 43 -1.508 -6.330 3.767 320 HB2 GLN 43 HB2 GLN 43 -1.776 -8.612 5.375 321 HB3 GLN 43 HB3 GLN 43 -2.628 -8.251 3.886 322 HG2 GLN 43 HG2 GLN 43 -1.774 -10.427 3.651 323 HG3 GLN 43 HG3 GLN 43 -0.757 -9.392 2.653 324 HE21 GLN 43 HE21 GLN 43 -0.237 -12.025 3.846 325 HE22 GLN 43 HE22 GLN 43 1.199 -11.834 4.786 326 H VAL 44 H VAL 44 1.369 -7.583 5.395 327 HA VAL 44 HA VAL 44 0.679 -6.680 8.005 328 HB VAL 44 HB VAL 44 3.053 -6.928 8.577 329 HG11 VAL 44 HG11 VAL 44 2.039 -9.195 6.853 330 HG12 VAL 44 HG12 VAL 44 1.627 -8.916 8.545 331 HG13 VAL 44 HG13 VAL 44 3.284 -9.314 8.097 332 HG21 VAL 44 HG21 VAL 44 4.696 -7.639 6.896 333 HG22 VAL 44 HG22 VAL 44 4.051 -6.040 6.530 334 HG23 VAL 44 HG23 VAL 44 3.486 -7.444 5.628 335 H ILE 45 H ILE 45 2.168 -5.113 5.246 336 HA ILE 45 HA ILE 45 3.170 -2.805 6.547 337 HB ILE 45 HB ILE 45 2.212 -3.080 3.682 338 HG12 ILE 45 HG12 ILE 45 4.996 -3.408 4.846 339 HG13 ILE 45 HG13 ILE 45 3.961 -4.725 4.297 340 HG21 ILE 45 HG21 ILE 45 3.697 -1.169 3.224 341 HG22 ILE 45 HG22 ILE 45 4.045 -1.035 4.948 342 HG23 ILE 45 HG23 ILE 45 2.410 -0.745 4.353 343 HD11 ILE 45 HD11 ILE 45 5.091 -2.522 2.583 344 HD12 ILE 45 HD12 ILE 45 4.038 -3.822 2.025 345 HD13 ILE 45 HD13 ILE 45 5.647 -4.194 2.645 346 H ARG 46 H ARG 46 0.044 -3.527 5.040 347 HA ARG 46 HA ARG 46 -1.166 -1.026 5.199 348 HB2 ARG 46 HB2 ARG 46 -2.072 -3.062 4.037 349 HB3 ARG 46 HB3 ARG 46 -2.544 -3.698 5.603 350 HG2 ARG 46 HG2 ARG 46 -3.544 -1.012 4.724 351 HG3 ARG 46 HG3 ARG 46 -4.293 -2.479 4.099 352 HD2 ARG 46 HD2 ARG 46 -4.828 -3.200 6.358 353 HD3 ARG 46 HD3 ARG 46 -3.992 -1.803 7.030 354 HE ARG 46 HE ARG 46 -5.821 -0.611 5.510 355 HH11 ARG 46 HH11 ARG 46 -6.172 -3.287 7.657 356 HH12 ARG 46 HH12 ARG 46 -7.781 -2.843 8.109 357 HH21 ARG 46 HH21 ARG 46 -7.870 -0.047 6.116 358 HH22 ARG 46 HH22 ARG 46 -8.726 -1.030 7.258 359 H ALA 47 H ALA 47 -0.926 -3.554 7.677 360 HA ALA 47 HA ALA 47 -2.435 -2.100 9.644 361 HB1 ALA 47 HB1 ALA 47 -1.703 -3.838 11.198 362 HB2 ALA 47 HB2 ALA 47 -0.552 -4.440 10.003 363 HB3 ALA 47 HB3 ALA 47 -2.285 -4.549 9.693 364 H TYR 48 H TYR 48 1.030 -2.690 9.084 365 HA TYR 48 HA TYR 48 2.097 -1.487 11.335 366 HB2 TYR 48 HB2 TYR 48 3.406 -2.799 9.714 367 HB3 TYR 48 HB3 TYR 48 3.256 -1.502 8.537 368 HD1 TYR 48 HD1 TYR 48 4.782 -2.454 11.772 369 HD2 TYR 48 HD2 TYR 48 4.701 0.411 8.618 370 HE1 TYR 48 HE1 TYR 48 6.844 -1.438 12.645 371 HE2 TYR 48 HE2 TYR 48 6.762 1.432 9.488 372 HH TYR 48 HH TYR 48 8.706 -0.065 11.858 373 H VAL 49 H VAL 49 1.339 0.086 8.207 374 HA VAL 49 HA VAL 49 2.368 2.613 8.878 375 HB VAL 49 HB VAL 49 0.997 3.530 7.049 376 HG11 VAL 49 HG11 VAL 49 2.331 0.898 6.400 377 HG12 VAL 49 HG12 VAL 49 3.125 2.467 6.530 378 HG13 VAL 49 HG13 VAL 49 1.963 2.172 5.236 379 HG21 VAL 49 HG21 VAL 49 -1.045 2.221 7.398 380 HG22 VAL 49 HG22 VAL 49 -0.202 0.759 6.883 381 HG23 VAL 49 HG23 VAL 49 -0.473 2.072 5.736 382 H MET 50 H MET 50 -0.803 1.200 9.536 383 HA MET 50 HA MET 50 -1.993 3.660 10.416 384 HB2 MET 50 HB2 MET 50 -2.835 0.812 10.996 385 HB3 MET 50 HB3 MET 50 -3.818 2.248 11.246 386 HG2 MET 50 HG2 MET 50 -3.733 2.679 8.808 387 HG3 MET 50 HG3 MET 50 -2.846 1.168 8.606 388 HE1 MET 50 HE1 MET 50 -5.530 -1.441 9.869 389 HE2 MET 50 HE2 MET 50 -4.367 -0.598 10.895 390 HE3 MET 50 HE3 MET 50 -3.868 -1.219 9.321 391 H SER 51 H SER 51 -0.100 1.157 11.928 392 HA SER 51 HA SER 51 -0.737 1.878 14.644 393 HB2 SER 51 HB2 SER 51 -0.082 -0.415 14.130 394 HB3 SER 51 HB3 SER 51 1.477 0.136 13.519 395 HG SER 51 HG SER 51 2.104 0.667 15.569 396 H ASN 52 H ASN 52 1.686 2.864 12.322 397 HA ASN 52 HA ASN 52 3.231 4.202 14.460 398 HB2 ASN 52 HB2 ASN 52 4.124 3.274 11.720 399 HB3 ASN 52 HB3 ASN 52 5.140 4.153 12.863 400 HD21 ASN 52 HD21 ASN 52 3.510 1.145 12.224 401 HD22 ASN 52 HD22 ASN 52 4.348 0.211 13.407 402 H TYR 53 H TYR 53 1.966 4.757 11.155 403 HA TYR 53 HA TYR 53 3.000 7.442 11.066 404 HB2 TYR 53 HB2 TYR 53 1.163 5.890 9.240 405 HB3 TYR 53 HB3 TYR 53 1.583 7.574 8.945 406 HD1 TYR 53 HD1 TYR 53 3.161 4.218 9.473 407 HD2 TYR 53 HD2 TYR 53 3.499 8.087 7.726 408 HE1 TYR 53 HE1 TYR 53 5.206 3.511 8.304 409 HE2 TYR 53 HE2 TYR 53 5.539 7.387 6.558 410 HH TYR 53 HH TYR 53 6.522 4.135 6.349 411 H THR 54 H THR 54 1.828 9.377 10.985 412 HA THR 54 HA THR 54 -0.733 9.340 12.451 413 HB THR 54 HB THR 54 -0.252 11.740 12.941 414 HG1 THR 54 HG1 THR 54 1.463 12.701 12.112 415 HG21 THR 54 HG21 THR 54 0.380 9.988 14.547 416 HG22 THR 54 HG22 THR 54 1.511 11.342 14.582 417 HG23 THR 54 HG23 THR 54 1.953 9.843 13.761 418 H ASP 55 H ASP 55 0.880 11.217 9.856 419 HA ASP 55 HA ASP 55 -1.345 12.600 8.926 420 HB2 ASP 55 HB2 ASP 55 1.059 11.631 7.357 421 HB3 ASP 55 HB3 ASP 55 -0.084 12.851 6.798 422 H HIS 56 H HIS 56 -3.166 11.984 7.955 423 HA HIS 56 HA HIS 56 -3.642 9.298 7.144 424 HB2 HIS 56 HB2 HIS 56 -5.266 11.821 6.756 425 HB3 HIS 56 HB3 HIS 56 -5.831 10.218 6.287 426 HD1 HIS 56 HD1 HIS 56 -6.655 12.373 8.773 427 HD2 HIS 56 HD2 HIS 56 -5.121 8.512 8.929 428 HE1 HIS 56 HE1 HIS 56 -7.260 11.495 11.044 429 HE2 HIS 56 HE2 HIS 56 -6.262 9.191 11.144 430 H GLN 57 H GLN 57 -2.512 12.124 5.442 431 HA GLN 57 HA GLN 57 -2.904 11.148 2.796 432 HB2 GLN 57 HB2 GLN 57 -1.083 13.215 4.003 433 HB3 GLN 57 HB3 GLN 57 -0.898 12.750 2.319 434 HG2 GLN 57 HG2 GLN 57 -2.250 14.771 2.577 435 HG3 GLN 57 HG3 GLN 57 -3.159 13.459 1.830 436 HE21 GLN 57 HE21 GLN 57 -4.852 12.512 2.977 437 HE22 GLN 57 HE22 GLN 57 -5.536 13.255 4.378 438 H LEU 58 H LEU 58 -0.781 10.178 5.276 439 HA LEU 58 HA LEU 58 0.957 8.720 3.411 440 HB2 LEU 58 HB2 LEU 58 1.063 8.890 6.434 441 HB3 LEU 58 HB3 LEU 58 2.258 8.118 5.408 442 HG LEU 58 HG LEU 58 1.637 11.083 5.465 443 HD11 LEU 58 HD11 LEU 58 2.798 10.338 7.474 444 HD12 LEU 58 HD12 LEU 58 3.853 11.322 6.460 445 HD13 LEU 58 HD13 LEU 58 4.039 9.567 6.486 446 HD21 LEU 58 HD21 LEU 58 2.321 10.379 3.241 447 HD22 LEU 58 HD22 LEU 58 3.729 9.555 3.911 448 HD23 LEU 58 HD23 LEU 58 3.604 11.312 4.013 449 H ILE 59 H ILE 59 -1.242 8.146 6.141 450 HA ILE 59 HA ILE 59 -1.174 5.318 6.058 451 HB ILE 59 HB ILE 59 -3.374 7.099 7.129 452 HG12 ILE 59 HG12 ILE 59 -0.975 5.903 8.556 453 HG13 ILE 59 HG13 ILE 59 -1.164 7.601 8.127 454 HG21 ILE 59 HG21 ILE 59 -2.717 4.213 7.740 455 HG22 ILE 59 HG22 ILE 59 -4.115 4.795 6.834 456 HG23 ILE 59 HG23 ILE 59 -3.952 5.179 8.549 457 HD11 ILE 59 HD11 ILE 59 -1.661 7.227 10.467 458 HD12 ILE 59 HD12 ILE 59 -2.907 6.057 10.033 459 HD13 ILE 59 HD13 ILE 59 -3.103 7.755 9.601 460 H GLU 60 H GLU 60 -3.840 7.496 5.034 461 HA GLU 60 HA GLU 60 -5.408 5.410 3.959 462 HB2 GLU 60 HB2 GLU 60 -5.565 8.381 3.411 463 HB3 GLU 60 HB3 GLU 60 -6.806 7.205 2.996 464 HG2 GLU 60 HG2 GLU 60 -5.893 7.978 5.764 465 HG3 GLU 60 HG3 GLU 60 -7.440 8.354 5.008 466 H THR 61 H THR 61 -2.851 7.286 2.555 467 HA THR 61 HA THR 61 -3.398 6.626 -0.170 468 HB THR 61 HB THR 61 -0.805 7.430 1.173 469 HG1 THR 61 HG1 THR 61 -1.351 9.462 0.583 470 HG21 THR 61 HG21 THR 61 -0.323 6.230 -0.899 471 HG22 THR 61 HG22 THR 61 0.006 7.953 -1.094 472 HG23 THR 61 HG23 THR 61 -1.464 7.253 -1.773 473 H THR 62 H THR 62 -1.230 5.244 2.296 474 HA THR 62 HA THR 62 -0.154 3.196 0.682 475 HB THR 62 HB THR 62 -0.447 3.256 3.697 476 HG1 THR 62 HG1 THR 62 0.911 4.881 3.269 477 HG21 THR 62 HG21 THR 62 1.407 1.627 3.704 478 HG22 THR 62 HG22 THR 62 1.339 1.552 1.943 479 HG23 THR 62 HG23 THR 62 -0.025 0.982 2.904 480 H ASN 63 H ASN 63 -2.766 3.018 3.133 481 HA ASN 63 HA ASN 63 -3.298 0.275 2.673 482 HB2 ASN 63 HB2 ASN 63 -5.365 0.638 3.997 483 HB3 ASN 63 HB3 ASN 63 -3.925 1.273 4.779 484 HD21 ASN 63 HD21 ASN 63 -5.037 2.713 6.050 485 HD22 ASN 63 HD22 ASN 63 -5.809 4.125 5.421 486 H ARG 64 H ARG 64 -4.501 3.168 1.104 487 HA ARG 64 HA ARG 64 -6.709 2.167 -0.271 488 HB2 ARG 64 HB2 ARG 64 -6.068 4.529 -0.320 489 HB3 ARG 64 HB3 ARG 64 -4.610 4.139 -1.217 490 HG2 ARG 64 HG2 ARG 64 -6.270 5.080 -2.696 491 HG3 ARG 64 HG3 ARG 64 -5.981 3.392 -3.113 492 HD2 ARG 64 HD2 ARG 64 -8.020 2.739 -1.935 493 HD3 ARG 64 HD3 ARG 64 -8.300 4.416 -1.466 494 HE ARG 64 HE ARG 64 -8.140 4.471 -4.201 495 HH11 ARG 64 HH11 ARG 64 -10.070 2.732 -1.939 496 HH12 ARG 64 HH12 ARG 64 -11.463 2.736 -2.959 497 HH21 ARG 64 HH21 ARG 64 -9.906 4.431 -5.520 498 HH22 ARG 64 HH22 ARG 64 -11.364 3.667 -4.984 499 H ALA 65 H ALA 65 -3.348 2.329 -1.508 500 HA ALA 65 HA ALA 65 -3.829 0.833 -3.843 501 HB1 ALA 65 HB1 ALA 65 -1.884 2.298 -3.553 502 HB2 ALA 65 HB2 ALA 65 -1.406 0.670 -4.042 503 HB3 ALA 65 HB3 ALA 65 -1.219 1.179 -2.363 504 H ILE 66 H ILE 66 -2.599 -0.210 -0.658 505 HA ILE 66 HA ILE 66 -2.039 -2.873 -1.367 506 HB ILE 66 HB ILE 66 -2.790 -1.759 1.345 507 HG12 ILE 66 HG12 ILE 66 -0.100 -2.293 0.047 508 HG13 ILE 66 HG13 ILE 66 -0.789 -0.713 0.400 509 HG21 ILE 66 HG21 ILE 66 -3.121 -4.185 1.284 510 HG22 ILE 66 HG22 ILE 66 -1.733 -3.761 2.286 511 HG23 ILE 66 HG23 ILE 66 -1.482 -4.398 0.661 512 HD11 ILE 66 HD11 ILE 66 -0.649 -1.176 2.785 513 HD12 ILE 66 HD12 ILE 66 0.925 -1.331 2.007 514 HD13 ILE 66 HD13 ILE 66 0.012 -2.775 2.442 515 H SER 67 H SER 67 -5.037 -1.420 -0.080 516 HA SER 67 HA SER 67 -6.490 -3.856 0.088 517 HB2 SER 67 HB2 SER 67 -8.519 -2.435 0.172 518 HB3 SER 67 HB3 SER 67 -7.269 -1.863 1.273 519 HG SER 67 HG SER 67 -6.895 -0.152 0.005 520 H LEU 68 H LEU 68 -6.067 -1.497 -2.529 521 HA LEU 68 HA LEU 68 -7.829 -2.671 -4.390 522 HB2 LEU 68 HB2 LEU 68 -5.257 -1.147 -4.850 523 HB3 LEU 68 HB3 LEU 68 -6.396 -1.567 -6.119 524 HG LEU 68 HG LEU 68 -6.988 0.235 -3.759 525 HD11 LEU 68 HD11 LEU 68 -6.601 0.920 -6.674 526 HD12 LEU 68 HD12 LEU 68 -5.454 1.257 -5.378 527 HD13 LEU 68 HD13 LEU 68 -7.032 2.045 -5.383 528 HD21 LEU 68 HD21 LEU 68 -8.960 -1.003 -4.501 529 HD22 LEU 68 HD22 LEU 68 -8.686 -0.462 -6.158 530 HD23 LEU 68 HD23 LEU 68 -9.093 0.709 -4.902 531 H TYR 69 H TYR 69 -4.419 -3.354 -3.649 532 HA TYR 69 HA TYR 69 -4.172 -5.463 -5.572 533 HB2 TYR 69 HB2 TYR 69 -2.490 -4.540 -3.253 534 HB3 TYR 69 HB3 TYR 69 -2.121 -6.058 -4.064 535 HD1 TYR 69 HD1 TYR 69 -1.806 -5.961 -6.629 536 HD2 TYR 69 HD2 TYR 69 -1.631 -2.524 -4.121 537 HE1 TYR 69 HE1 TYR 69 -0.564 -4.758 -8.375 538 HE2 TYR 69 HE2 TYR 69 -0.390 -1.311 -5.863 539 HH TYR 69 HH TYR 69 -0.140 -2.426 -9.058 540 H MET 70 H MET 70 -6.177 -5.398 -3.056 541 HA MET 70 HA MET 70 -5.987 -8.318 -2.659 542 HB2 MET 70 HB2 MET 70 -7.424 -6.250 -0.973 543 HB3 MET 70 HB3 MET 70 -7.464 -7.983 -0.689 544 HG2 MET 70 HG2 MET 70 -5.011 -7.945 -0.354 545 HG3 MET 70 HG3 MET 70 -5.051 -6.190 -0.525 546 HE1 MET 70 HE1 MET 70 -3.813 -7.721 2.003 547 HE2 MET 70 HE2 MET 70 -4.425 -6.727 3.324 548 HE3 MET 70 HE3 MET 70 -3.830 -5.964 1.850 549 H ALA 71 H ALA 71 -8.491 -5.770 -2.822 550 HA ALA 71 HA ALA 71 -10.628 -7.423 -3.539 551 HB1 ALA 71 HB1 ALA 71 -11.790 -5.383 -4.188 552 HB2 ALA 71 HB2 ALA 71 -10.263 -4.500 -4.205 553 HB3 ALA 71 HB3 ALA 71 -10.895 -5.136 -2.686 554 H ASN 72 H ASN 72 -8.626 -5.362 -5.689 555 HA ASN 72 HA ASN 72 -9.811 -6.310 -8.098 556 HB2 ASN 72 HB2 ASN 72 -8.564 -4.140 -7.843 557 HB3 ASN 72 HB3 ASN 72 -7.066 -5.060 -7.769 558 HD21 ASN 72 HD21 ASN 72 -7.921 -3.059 -9.700 559 HD22 ASN 72 HD22 ASN 72 -7.866 -3.830 -11.241 560 H LEU 73 H LEU 73 -6.861 -7.202 -6.339 561 HA LEU 73 HA LEU 73 -5.719 -9.007 -8.088 562 HB2 LEU 73 HB2 LEU 73 -4.810 -8.226 -5.878 563 HB3 LEU 73 HB3 LEU 73 -5.895 -9.345 -5.086 564 HG LEU 73 HG LEU 73 -3.483 -10.081 -5.290 565 HD11 LEU 73 HD11 LEU 73 -5.301 -11.671 -4.822 566 HD12 LEU 73 HD12 LEU 73 -3.988 -12.392 -5.753 567 HD13 LEU 73 HD13 LEU 73 -5.491 -11.941 -6.556 568 HD21 LEU 73 HD21 LEU 73 -3.067 -9.274 -7.554 569 HD22 LEU 73 HD22 LEU 73 -4.220 -10.448 -8.193 570 HD23 LEU 73 HD23 LEU 73 -2.733 -10.999 -7.418 571 H GLU 74 H GLU 74 -8.215 -9.702 -5.615 572 HA GLU 74 HA GLU 74 -8.553 -12.422 -6.226 573 HB2 GLU 74 HB2 GLU 74 -10.425 -10.413 -4.975 574 HB3 GLU 74 HB3 GLU 74 -10.842 -12.114 -5.143 575 HG2 GLU 74 HG2 GLU 74 -8.434 -11.074 -3.652 576 HG3 GLU 74 HG3 GLU 74 -9.966 -11.526 -2.905 577 H HIS 75 H HIS 75 -9.745 -9.610 -7.900 578 HA HIS 75 HA HIS 75 -11.801 -11.001 -9.353 579 HB2 HIS 75 HB2 HIS 75 -10.472 -8.327 -9.823 580 HB3 HIS 75 HB3 HIS 75 -11.777 -8.952 -10.824 581 HD1 HIS 75 HD1 HIS 75 -11.480 -6.548 -8.403 582 HD2 HIS 75 HD2 HIS 75 -13.954 -9.873 -8.691 583 HE1 HIS 75 HE1 HIS 75 -13.422 -6.073 -6.892 584 HE2 HIS 75 HE2 HIS 75 -14.828 -8.154 -6.972 585 H HIS 76 H HIS 76 -8.382 -10.699 -9.716 586 HA HIS 76 HA HIS 76 -8.493 -11.903 -12.402 587 HB2 HIS 76 HB2 HIS 76 -6.913 -10.024 -12.039 588 HB3 HIS 76 HB3 HIS 76 -6.090 -10.967 -10.798 589 HD1 HIS 76 HD1 HIS 76 -4.570 -12.904 -11.596 590 HD2 HIS 76 HD2 HIS 76 -6.350 -10.771 -14.687 591 HE1 HIS 76 HE1 HIS 76 -3.378 -13.624 -13.685 592 HE2 HIS 76 HE2 HIS 76 -4.535 -12.401 -15.547 593 H HIS 77 H HIS 77 -7.562 -12.581 -9.093 594 HA HIS 77 HA HIS 77 -6.357 -15.123 -9.570 595 HB2 HIS 77 HB2 HIS 77 -5.834 -13.755 -7.598 596 HB3 HIS 77 HB3 HIS 77 -7.490 -13.926 -7.027 597 HD1 HIS 77 HD1 HIS 77 -4.913 -16.506 -8.160 598 HD2 HIS 77 HD2 HIS 77 -7.410 -15.657 -4.949 599 HE1 HIS 77 HE1 HIS 77 -4.599 -18.395 -6.543 600 HE2 HIS 77 HE2 HIS 77 -5.934 -17.732 -4.524 601 H HIS 78 H HIS 78 -9.625 -14.044 -8.893 602 HA HIS 78 HA HIS 78 -10.600 -16.813 -9.150 603 HB2 HIS 78 HB2 HIS 78 -12.087 -14.295 -8.331 604 HB3 HIS 78 HB3 HIS 78 -12.811 -15.893 -8.468 605 HD1 HIS 78 HD1 HIS 78 -13.109 -16.922 -6.247 606 HD2 HIS 78 HD2 HIS 78 -9.709 -14.537 -6.382 607 HE1 HIS 78 HE1 HIS 78 -12.099 -17.063 -3.957 608 HE2 HIS 78 HE2 HIS 78 -10.156 -15.470 -4.014 609 H HIS 79 H HIS 79 -10.067 -16.903 -11.398 610 HA HIS 79 HA HIS 79 -10.839 -14.931 -13.268 611 HB2 HIS 79 HB2 HIS 79 -9.024 -16.715 -13.513 612 HB3 HIS 79 HB3 HIS 79 -10.317 -17.837 -13.922 613 HD1 HIS 79 HD1 HIS 79 -8.088 -15.346 -15.387 614 HD2 HIS 79 HD2 HIS 79 -11.761 -17.040 -16.345 615 HE1 HIS 79 HE1 HIS 79 -8.439 -14.859 -17.817 616 HE2 HIS 79 HE2 HIS 79 -10.754 -15.702 -18.312 617 H HIS 80 H HIS 80 -12.267 -18.133 -12.544 618 HA HIS 80 HA HIS 80 -14.912 -17.140 -12.734 619 HB2 HIS 80 HB2 HIS 80 -15.708 -18.414 -14.700 620 HB3 HIS 80 HB3 HIS 80 -14.547 -17.170 -15.134 621 HD1 HIS 80 HD1 HIS 80 -15.371 -20.040 -16.547 622 HD2 HIS 80 HD2 HIS 80 -11.783 -18.941 -14.761 623 HE1 HIS 80 HE1 HIS 80 -13.626 -21.510 -17.587 624 HE2 HIS 80 HE2 HIS 80 -11.448 -20.723 -16.610 Start of MODEL 8 1 H1 MET 1 H1 MET 1 20.412 -10.991 2.353 2 H2 MET 1 H2 MET 1 20.831 -12.515 1.759 3 H3 MET 1 H3 MET 1 19.245 -12.211 2.261 4 HA MET 1 HA MET 1 20.618 -10.935 -0.039 5 HB2 MET 1 HB2 MET 1 18.346 -12.942 -0.010 6 HB3 MET 1 HB3 MET 1 19.044 -12.196 -1.444 7 HG2 MET 1 HG2 MET 1 19.908 -14.414 -1.233 8 HG3 MET 1 HG3 MET 1 21.207 -13.273 -0.889 9 HE1 MET 1 HE1 MET 1 18.190 -14.460 1.387 10 HE2 MET 1 HE2 MET 1 18.969 -15.754 2.299 11 HE3 MET 1 HE3 MET 1 18.725 -15.924 0.562 12 H ALA 2 H ALA 2 18.799 -9.992 -1.547 13 HA ALA 2 HA ALA 2 17.482 -7.951 -0.016 14 HB1 ALA 2 HB1 ALA 2 16.760 -7.073 -2.173 15 HB2 ALA 2 HB2 ALA 2 17.312 -8.548 -2.970 16 HB3 ALA 2 HB3 ALA 2 18.478 -7.473 -2.197 17 H GLY 3 H GLY 3 15.839 -8.805 1.238 18 HA2 GLY 3 HA2 GLY 3 13.669 -10.285 -0.108 19 HA3 GLY 3 HA3 GLY 3 13.907 -10.161 1.629 20 H ASP 4 H ASP 4 13.855 -7.574 -0.786 21 HA ASP 4 HA ASP 4 11.311 -6.557 0.186 22 HB2 ASP 4 HB2 ASP 4 12.500 -4.261 0.581 23 HB3 ASP 4 HB3 ASP 4 12.563 -5.495 1.836 24 HA PRO 5 HA PRO 5 12.337 -5.565 -4.332 25 HB2 PRO 5 HB2 PRO 5 10.282 -6.930 -5.467 26 HB3 PRO 5 HB3 PRO 5 11.841 -7.678 -5.099 27 HG2 PRO 5 HG2 PRO 5 9.293 -7.748 -3.506 28 HG3 PRO 5 HG3 PRO 5 10.383 -9.087 -3.925 29 HD2 PRO 5 HD2 PRO 5 10.464 -7.890 -1.507 30 HD3 PRO 5 HD3 PRO 5 11.932 -8.500 -2.299 31 H MET 6 H MET 6 10.193 -4.643 -2.056 32 HA MET 6 HA MET 6 8.668 -2.965 -1.863 33 HB2 MET 6 HB2 MET 6 9.989 -2.119 -4.449 34 HB3 MET 6 HB3 MET 6 8.880 -1.106 -3.539 35 HG2 MET 6 HG2 MET 6 11.456 -2.192 -2.415 36 HG3 MET 6 HG3 MET 6 11.310 -0.622 -3.198 37 HE1 MET 6 HE1 MET 6 11.092 -2.567 0.080 38 HE2 MET 6 HE2 MET 6 9.393 -2.739 -0.360 39 HE3 MET 6 HE3 MET 6 9.848 -1.740 1.018 40 H THR 7 H THR 7 7.491 -5.261 -2.824 41 HA THR 7 HA THR 7 6.060 -5.162 -5.199 42 HB THR 7 HB THR 7 4.452 -6.709 -4.216 43 HG1 THR 7 HG1 THR 7 5.219 -7.070 -1.756 44 HG21 THR 7 HG21 THR 7 5.964 -8.457 -3.451 45 HG22 THR 7 HG22 THR 7 7.220 -7.261 -3.125 46 HG23 THR 7 HG23 THR 7 6.706 -7.572 -4.784 47 H PHE 8 H PHE 8 5.207 -3.724 -2.071 48 HA PHE 8 HA PHE 8 2.667 -2.724 -2.783 49 HB2 PHE 8 HB2 PHE 8 3.295 -2.821 -0.466 50 HB3 PHE 8 HB3 PHE 8 4.694 -1.788 -0.740 51 HD1 PHE 8 HD1 PHE 8 0.964 -1.750 -0.984 52 HD2 PHE 8 HD2 PHE 8 4.531 0.487 -0.300 53 HE1 PHE 8 HE1 PHE 8 -0.384 0.223 -0.406 54 HE2 PHE 8 HE2 PHE 8 3.181 2.462 0.279 55 HZ PHE 8 HZ PHE 8 0.725 2.334 0.226 56 H TYR 9 H TYR 9 5.892 -1.252 -3.014 57 HA TYR 9 HA TYR 9 5.127 1.341 -3.705 58 HB2 TYR 9 HB2 TYR 9 7.406 0.766 -3.024 59 HB3 TYR 9 HB3 TYR 9 7.631 -0.163 -4.501 60 HD1 TYR 9 HD1 TYR 9 6.892 3.292 -3.298 61 HD2 TYR 9 HD2 TYR 9 8.525 0.877 -6.405 62 HE1 TYR 9 HE1 TYR 9 7.719 5.312 -4.427 63 HE2 TYR 9 HE2 TYR 9 9.352 2.894 -7.540 64 HH TYR 9 HH TYR 9 8.812 5.314 -7.625 65 H ASN 10 H ASN 10 5.597 -1.501 -5.762 66 HA ASN 10 HA ASN 10 5.618 -0.372 -8.282 67 HB2 ASN 10 HB2 ASN 10 5.975 -2.742 -7.964 68 HB3 ASN 10 HB3 ASN 10 4.332 -2.956 -7.376 69 HD21 ASN 10 HD21 ASN 10 2.645 -3.040 -8.841 70 HD22 ASN 10 HD22 ASN 10 2.892 -3.170 -10.544 71 H PHE 11 H PHE 11 2.857 -0.767 -6.139 72 HA PHE 11 HA PHE 11 0.964 -0.035 -8.227 73 HB2 PHE 11 HB2 PHE 11 0.380 -1.746 -6.528 74 HB3 PHE 11 HB3 PHE 11 0.497 -0.519 -5.272 75 HD1 PHE 11 HD1 PHE 11 -1.363 -1.451 -8.349 76 HD2 PHE 11 HD2 PHE 11 -1.355 0.844 -4.753 77 HE1 PHE 11 HE1 PHE 11 -3.728 -0.884 -8.705 78 HE2 PHE 11 HE2 PHE 11 -3.721 1.410 -5.112 79 HZ PHE 11 HZ PHE 11 -4.912 0.549 -7.087 80 H ILE 12 H ILE 12 2.006 1.328 -5.088 81 HA ILE 12 HA ILE 12 0.369 3.643 -5.292 82 HB ILE 12 HB ILE 12 1.167 2.700 -3.141 83 HG12 ILE 12 HG12 ILE 12 1.670 4.878 -2.041 84 HG13 ILE 12 HG13 ILE 12 1.902 5.601 -3.629 85 HG21 ILE 12 HG21 ILE 12 3.458 2.174 -3.798 86 HG22 ILE 12 HG22 ILE 12 3.426 3.184 -2.352 87 HG23 ILE 12 HG23 ILE 12 3.830 3.895 -3.915 88 HD11 ILE 12 HD11 ILE 12 -0.423 5.192 -4.181 89 HD12 ILE 12 HD12 ILE 12 -0.295 6.108 -2.678 90 HD13 ILE 12 HD13 ILE 12 -0.666 4.385 -2.631 91 H MET 13 H MET 13 3.516 2.944 -6.596 92 HA MET 13 HA MET 13 4.661 5.504 -6.641 93 HB2 MET 13 HB2 MET 13 6.106 4.682 -8.433 94 HB3 MET 13 HB3 MET 13 5.946 3.495 -7.148 95 HG2 MET 13 HG2 MET 13 5.879 2.336 -9.214 96 HG3 MET 13 HG3 MET 13 4.250 2.315 -8.547 97 HE1 MET 13 HE1 MET 13 3.670 2.452 -12.435 98 HE2 MET 13 HE2 MET 13 3.335 1.564 -10.947 99 HE3 MET 13 HE3 MET 13 4.976 1.619 -11.592 100 H GLY 14 H GLY 14 2.025 4.277 -8.467 101 HA2 GLY 14 HA2 GLY 14 2.156 5.823 -10.805 102 HA3 GLY 14 HA3 GLY 14 0.682 5.197 -10.084 103 H PHE 15 H PHE 15 1.435 6.822 -7.570 104 HA PHE 15 HA PHE 15 0.272 9.356 -8.485 105 HB2 PHE 15 HB2 PHE 15 0.643 8.169 -5.725 106 HB3 PHE 15 HB3 PHE 15 0.066 9.811 -5.991 107 HD1 PHE 15 HD1 PHE 15 -2.097 10.191 -7.140 108 HD2 PHE 15 HD2 PHE 15 -0.806 6.292 -6.002 109 HE1 PHE 15 HE1 PHE 15 -4.401 9.361 -7.379 110 HE2 PHE 15 HE2 PHE 15 -3.109 5.459 -6.239 111 HZ PHE 15 HZ PHE 15 -4.908 6.994 -6.930 112 H GLN 16 H GLN 16 3.337 8.111 -7.809 113 HA GLN 16 HA GLN 16 4.426 10.574 -6.692 114 HB2 GLN 16 HB2 GLN 16 5.141 8.220 -5.996 115 HB3 GLN 16 HB3 GLN 16 6.002 8.134 -7.523 116 HG2 GLN 16 HG2 GLN 16 6.685 10.574 -6.158 117 HG3 GLN 16 HG3 GLN 16 6.904 9.203 -5.079 118 HE21 GLN 16 HE21 GLN 16 7.320 9.015 -8.562 119 HE22 GLN 16 HE22 GLN 16 9.024 8.779 -8.524 120 H ASN 17 H ASN 17 4.466 8.807 -9.746 121 HA ASN 17 HA ASN 17 6.480 10.114 -11.133 122 HB2 ASN 17 HB2 ASN 17 5.278 8.202 -12.063 123 HB3 ASN 17 HB3 ASN 17 3.804 9.157 -12.188 124 HD21 ASN 17 HD21 ASN 17 3.596 8.984 -14.379 125 HD22 ASN 17 HD22 ASN 17 4.689 9.716 -15.499 126 H ASP 18 H ASP 18 3.036 10.952 -11.674 127 HA ASP 18 HA ASP 18 3.782 13.741 -12.086 128 HB2 ASP 18 HB2 ASP 18 1.069 12.395 -12.261 129 HB3 ASP 18 HB3 ASP 18 1.426 14.056 -12.731 130 H ASN 19 H ASN 19 3.783 15.166 -10.463 131 HA ASN 19 HA ASN 19 3.734 14.156 -7.856 132 HB2 ASN 19 HB2 ASN 19 3.872 16.991 -8.879 133 HB3 ASN 19 HB3 ASN 19 4.083 16.560 -7.185 134 HD21 ASN 19 HD21 ASN 19 5.244 14.344 -9.586 135 HD22 ASN 19 HD22 ASN 19 6.917 14.689 -9.377 136 H THR 20 H THR 20 2.006 13.552 -6.786 137 HA THR 20 HA THR 20 -0.253 15.447 -6.477 138 HB THR 20 HB THR 20 -1.727 13.533 -6.026 139 HG1 THR 20 HG1 THR 20 0.359 11.782 -6.835 140 HG21 THR 20 HG21 THR 20 -1.579 14.275 -8.346 141 HG22 THR 20 HG22 THR 20 -1.791 12.524 -8.275 142 HG23 THR 20 HG23 THR 20 -0.201 13.208 -8.618 143 HA PRO 21 HA PRO 21 0.498 15.553 -2.045 144 HB2 PRO 21 HB2 PRO 21 -2.361 14.722 -1.726 145 HB3 PRO 21 HB3 PRO 21 -1.494 16.071 -0.980 146 HG2 PRO 21 HG2 PRO 21 -3.180 16.520 -2.985 147 HG3 PRO 21 HG3 PRO 21 -1.639 17.396 -2.892 148 HD2 PRO 21 HD2 PRO 21 -2.416 15.104 -4.657 149 HD3 PRO 21 HD3 PRO 21 -1.401 16.515 -5.021 150 H PHE 22 H PHE 22 -1.309 12.803 -3.354 151 HA PHE 22 HA PHE 22 -0.668 11.015 -1.195 152 HB2 PHE 22 HB2 PHE 22 -1.644 10.376 -3.994 153 HB3 PHE 22 HB3 PHE 22 -1.647 9.273 -2.620 154 HD1 PHE 22 HD1 PHE 22 -3.221 9.602 -0.765 155 HD2 PHE 22 HD2 PHE 22 -3.305 12.096 -4.220 156 HE1 PHE 22 HE1 PHE 22 -5.465 10.393 -0.139 157 HE2 PHE 22 HE2 PHE 22 -5.548 12.888 -3.598 158 HZ PHE 22 HZ PHE 22 -6.632 12.034 -1.554 159 H GLY 23 H GLY 23 0.802 11.912 -4.229 160 HA2 GLY 23 HA2 GLY 23 2.591 9.774 -4.581 161 HA3 GLY 23 HA3 GLY 23 2.825 11.407 -5.178 162 H ILE 24 H ILE 24 2.716 12.504 -2.401 163 HA ILE 24 HA ILE 24 5.448 12.427 -1.729 164 HB ILE 24 HB ILE 24 3.124 13.163 0.072 165 HG12 ILE 24 HG12 ILE 24 3.115 14.463 -2.008 166 HG13 ILE 24 HG13 ILE 24 3.569 15.481 -0.647 167 HG21 ILE 24 HG21 ILE 24 5.171 12.790 1.340 168 HG22 ILE 24 HG22 ILE 24 4.782 14.510 1.300 169 HG23 ILE 24 HG23 ILE 24 6.059 13.870 0.264 170 HD11 ILE 24 HD11 ILE 24 5.441 14.301 -2.691 171 HD12 ILE 24 HD12 ILE 24 5.925 15.284 -1.308 172 HD13 ILE 24 HD13 ILE 24 4.926 15.984 -2.581 173 H LEU 25 H LEU 25 2.707 10.503 -0.602 174 HA LEU 25 HA LEU 25 4.043 9.098 1.465 175 HB2 LEU 25 HB2 LEU 25 1.557 9.174 1.064 176 HB3 LEU 25 HB3 LEU 25 1.787 8.097 -0.296 177 HG LEU 25 HG LEU 25 0.948 7.042 1.850 178 HD11 LEU 25 HD11 LEU 25 1.899 5.687 0.054 179 HD12 LEU 25 HD12 LEU 25 2.280 5.026 1.642 180 HD13 LEU 25 HD13 LEU 25 3.512 5.906 0.740 181 HD21 LEU 25 HD21 LEU 25 2.576 6.527 3.590 182 HD22 LEU 25 HD22 LEU 25 2.363 8.270 3.419 183 HD23 LEU 25 HD23 LEU 25 3.796 7.486 2.752 184 H ALA 26 H ALA 26 3.465 8.273 -1.961 185 HA ALA 26 HA ALA 26 4.972 5.910 -2.083 186 HB1 ALA 26 HB1 ALA 26 4.508 7.935 -4.279 187 HB2 ALA 26 HB2 ALA 26 3.428 6.608 -3.850 188 HB3 ALA 26 HB3 ALA 26 5.030 6.265 -4.503 189 H GLU 27 H GLU 27 5.972 9.282 -2.502 190 HA GLU 27 HA GLU 27 8.668 8.843 -3.175 191 HB2 GLU 27 HB2 GLU 27 7.709 11.044 -3.424 192 HB3 GLU 27 HB3 GLU 27 7.320 11.123 -1.712 193 HG2 GLU 27 HG2 GLU 27 9.771 11.049 -1.225 194 HG3 GLU 27 HG3 GLU 27 10.064 11.181 -2.956 195 H HIS 28 H HIS 28 7.110 9.353 -0.013 196 HA HIS 28 HA HIS 28 9.440 9.291 1.531 197 HB2 HIS 28 HB2 HIS 28 7.248 10.098 2.359 198 HB3 HIS 28 HB3 HIS 28 6.667 8.435 2.398 199 HD1 HIS 28 HD1 HIS 28 10.017 9.730 3.634 200 HD2 HIS 28 HD2 HIS 28 6.547 7.973 5.092 201 HE1 HIS 28 HE1 HIS 28 10.468 9.262 6.058 202 HE2 HIS 28 HE2 HIS 28 8.317 8.309 6.945 203 H VAL 29 H VAL 29 7.154 6.607 0.827 204 HA VAL 29 HA VAL 29 8.600 4.645 2.238 205 HB VAL 29 HB VAL 29 7.358 2.955 0.999 206 HG11 VAL 29 HG11 VAL 29 5.627 5.328 1.696 207 HG12 VAL 29 HG12 VAL 29 6.227 4.116 2.826 208 HG13 VAL 29 HG13 VAL 29 5.084 3.655 1.564 209 HG21 VAL 29 HG21 VAL 29 6.404 5.215 -0.764 210 HG22 VAL 29 HG22 VAL 29 5.812 3.554 -0.814 211 HG23 VAL 29 HG23 VAL 29 7.486 3.910 -1.245 212 H SER 30 H SER 30 9.082 5.968 -0.971 213 HA SER 30 HA SER 30 10.942 4.063 -1.933 214 HB2 SER 30 HB2 SER 30 9.977 5.793 -3.398 215 HB3 SER 30 HB3 SER 30 10.819 7.048 -2.489 216 HG SER 30 HG SER 30 11.845 6.314 -4.493 217 H GLU 31 H GLU 31 11.342 6.970 0.072 218 HA GLU 31 HA GLU 31 14.166 6.657 0.438 219 HB2 GLU 31 HB2 GLU 31 13.030 8.822 0.740 220 HB3 GLU 31 HB3 GLU 31 12.128 8.169 2.098 221 HG2 GLU 31 HG2 GLU 31 13.965 9.558 2.859 222 HG3 GLU 31 HG3 GLU 31 14.187 7.885 3.363 223 H ASP 32 H ASP 32 11.291 5.615 2.211 224 HA ASP 32 HA ASP 32 12.527 4.487 4.449 225 HB2 ASP 32 HB2 ASP 32 9.951 3.883 3.015 226 HB3 ASP 32 HB3 ASP 32 10.460 2.924 4.399 227 H LYS 33 H LYS 33 12.122 3.217 1.175 228 HA LYS 33 HA LYS 33 12.998 0.590 1.605 229 HB2 LYS 33 HB2 LYS 33 12.112 1.138 -0.543 230 HB3 LYS 33 HB3 LYS 33 13.281 2.429 -0.777 231 HG2 LYS 33 HG2 LYS 33 13.806 0.480 -2.156 232 HG3 LYS 33 HG3 LYS 33 15.080 0.802 -0.979 233 HD2 LYS 33 HD2 LYS 33 14.037 -0.959 0.492 234 HD3 LYS 33 HD3 LYS 33 12.960 -1.352 -0.848 235 HE2 LYS 33 HE2 LYS 33 14.843 -2.883 -0.810 236 HE3 LYS 33 HE3 LYS 33 14.921 -1.869 -2.249 237 HZ1 LYS 33 HZ1 LYS 33 16.615 -0.543 -1.250 238 HZ2 LYS 33 HZ2 LYS 33 17.078 -2.159 -1.088 239 HZ3 LYS 33 HZ3 LYS 33 16.448 -1.327 0.237 240 H ALA 34 H ALA 34 14.858 3.573 1.131 241 HA ALA 34 HA ALA 34 17.424 2.401 1.010 242 HB1 ALA 34 HB1 ALA 34 16.679 5.145 2.029 243 HB2 ALA 34 HB2 ALA 34 16.945 4.719 0.338 244 HB3 ALA 34 HB3 ALA 34 18.276 4.623 1.492 245 H PHE 35 H PHE 35 15.300 3.113 3.653 246 HA PHE 35 HA PHE 35 17.307 2.530 5.695 247 HB2 PHE 35 HB2 PHE 35 15.677 4.361 6.054 248 HB3 PHE 35 HB3 PHE 35 14.355 3.207 5.935 249 HD1 PHE 35 HD1 PHE 35 17.231 4.275 7.993 250 HD2 PHE 35 HD2 PHE 35 13.723 1.864 7.800 251 HE1 PHE 35 HE1 PHE 35 17.364 3.893 10.420 252 HE2 PHE 35 HE2 PHE 35 13.854 1.480 10.225 253 HZ PHE 35 HZ PHE 35 15.670 2.496 11.540 254 HA PRO 36 HA PRO 36 16.385 -1.858 5.736 255 HB2 PRO 36 HB2 PRO 36 17.033 -1.633 8.641 256 HB3 PRO 36 HB3 PRO 36 17.687 -2.732 7.420 257 HG2 PRO 36 HG2 PRO 36 19.127 -0.664 8.276 258 HG3 PRO 36 HG3 PRO 36 19.137 -1.122 6.563 259 HD2 PRO 36 HD2 PRO 36 17.693 1.131 7.912 260 HD3 PRO 36 HD3 PRO 36 18.515 1.103 6.337 261 H ARG 37 H ARG 37 14.058 -1.339 5.437 262 HA ARG 37 HA ARG 37 12.480 -1.942 7.859 263 HB2 ARG 37 HB2 ARG 37 11.774 -0.628 5.241 264 HB3 ARG 37 HB3 ARG 37 10.516 -1.352 6.236 265 HG2 ARG 37 HG2 ARG 37 10.982 0.131 8.046 266 HG3 ARG 37 HG3 ARG 37 12.437 0.737 7.256 267 HD2 ARG 37 HD2 ARG 37 10.523 2.303 7.121 268 HD3 ARG 37 HD3 ARG 37 11.125 1.805 5.544 269 HE ARG 37 HE ARG 37 9.138 0.101 5.799 270 HH11 ARG 37 HH11 ARG 37 9.170 3.440 6.659 271 HH12 ARG 37 HH12 ARG 37 7.501 3.664 6.265 272 HH21 ARG 37 HH21 ARG 37 7.007 0.386 5.341 273 HH22 ARG 37 HH22 ARG 37 6.289 1.951 5.532 274 H LEU 38 H LEU 38 13.398 -3.165 4.728 275 HA LEU 38 HA LEU 38 13.003 -5.098 3.598 276 HB2 LEU 38 HB2 LEU 38 12.942 -6.118 6.436 277 HB3 LEU 38 HB3 LEU 38 12.975 -7.166 5.032 278 HG LEU 38 HG LEU 38 15.168 -6.067 4.390 279 HD11 LEU 38 HD11 LEU 38 14.985 -4.966 7.194 280 HD12 LEU 38 HD12 LEU 38 14.990 -4.032 5.697 281 HD13 LEU 38 HD13 LEU 38 16.423 -4.942 6.173 282 HD21 LEU 38 HD21 LEU 38 15.061 -7.561 7.011 283 HD22 LEU 38 HD22 LEU 38 16.477 -7.393 5.974 284 HD23 LEU 38 HD23 LEU 38 15.066 -8.283 5.401 285 H GLU 39 H GLU 39 10.866 -4.201 2.900 286 HA GLU 39 HA GLU 39 8.638 -5.758 4.046 287 HB2 GLU 39 HB2 GLU 39 8.549 -2.994 2.828 288 HB3 GLU 39 HB3 GLU 39 7.144 -3.907 3.366 289 HG2 GLU 39 HG2 GLU 39 7.988 -3.913 5.648 290 HG3 GLU 39 HG3 GLU 39 9.436 -3.052 5.131 291 H GLU 40 H GLU 40 8.584 -7.459 2.721 292 HA GLU 40 HA GLU 40 8.216 -7.028 -0.168 293 HB2 GLU 40 HB2 GLU 40 9.894 -8.699 0.582 294 HB3 GLU 40 HB3 GLU 40 8.614 -9.606 1.374 295 HG2 GLU 40 HG2 GLU 40 7.538 -9.969 -0.808 296 HG3 GLU 40 HG3 GLU 40 8.853 -9.088 -1.587 297 H ARG 41 H ARG 41 6.573 -7.934 2.733 298 HA ARG 41 HA ARG 41 4.245 -9.040 1.391 299 HB2 ARG 41 HB2 ARG 41 4.884 -8.483 4.294 300 HB3 ARG 41 HB3 ARG 41 3.305 -9.045 3.767 301 HG2 ARG 41 HG2 ARG 41 4.612 -10.897 4.592 302 HG3 ARG 41 HG3 ARG 41 4.351 -11.086 2.858 303 HD2 ARG 41 HD2 ARG 41 6.605 -10.263 2.418 304 HD3 ARG 41 HD3 ARG 41 6.863 -10.006 4.143 305 HE ARG 41 HE ARG 41 6.673 -12.446 4.404 306 HH11 ARG 41 HH11 ARG 41 7.314 -11.220 1.253 307 HH12 ARG 41 HH12 ARG 41 8.144 -12.642 0.739 308 HH21 ARG 41 HH21 ARG 41 7.745 -14.267 3.742 309 HH22 ARG 41 HH22 ARG 41 8.379 -14.355 2.135 310 H HIS 42 H HIS 42 2.093 -8.026 2.727 311 HA HIS 42 HA HIS 42 2.168 -5.131 2.118 312 HB2 HIS 42 HB2 HIS 42 -0.090 -7.050 1.490 313 HB3 HIS 42 HB3 HIS 42 -0.095 -5.314 1.183 314 HD1 HIS 42 HD1 HIS 42 0.670 -8.456 -0.424 315 HD2 HIS 42 HD2 HIS 42 2.082 -4.558 -0.695 316 HE1 HIS 42 HE1 HIS 42 1.905 -8.336 -2.603 317 HE2 HIS 42 HE2 HIS 42 2.954 -6.056 -2.606 318 H GLN 43 H GLN 43 0.324 -7.636 3.883 319 HA GLN 43 HA GLN 43 -1.276 -5.894 5.387 320 HB2 GLN 43 HB2 GLN 43 -0.307 -8.653 6.171 321 HB3 GLN 43 HB3 GLN 43 -1.674 -7.804 6.878 322 HG2 GLN 43 HG2 GLN 43 -2.783 -7.810 4.667 323 HG3 GLN 43 HG3 GLN 43 -1.438 -8.751 4.025 324 HE21 GLN 43 HE21 GLN 43 -1.186 -10.900 4.702 325 HE22 GLN 43 HE22 GLN 43 -2.482 -11.776 5.428 326 H VAL 44 H VAL 44 1.969 -7.153 6.065 327 HA VAL 44 HA VAL 44 2.269 -6.171 8.675 328 HB VAL 44 HB VAL 44 3.883 -7.722 7.664 329 HG11 VAL 44 HG11 VAL 44 4.773 -5.361 6.004 330 HG12 VAL 44 HG12 VAL 44 3.980 -6.819 5.408 331 HG13 VAL 44 HG13 VAL 44 5.599 -6.917 6.101 332 HG21 VAL 44 HG21 VAL 44 5.112 -5.125 8.596 333 HG22 VAL 44 HG22 VAL 44 5.952 -6.676 8.516 334 HG23 VAL 44 HG23 VAL 44 4.587 -6.467 9.612 335 H ILE 45 H ILE 45 2.835 -4.574 5.555 336 HA ILE 45 HA ILE 45 3.824 -2.118 6.551 337 HB ILE 45 HB ILE 45 2.249 -2.583 4.002 338 HG12 ILE 45 HG12 ILE 45 5.247 -2.674 4.468 339 HG13 ILE 45 HG13 ILE 45 4.216 -4.068 4.152 340 HG21 ILE 45 HG21 ILE 45 3.386 -0.567 3.180 341 HG22 ILE 45 HG22 ILE 45 4.165 -0.367 4.750 342 HG23 ILE 45 HG23 ILE 45 2.414 -0.219 4.611 343 HD11 ILE 45 HD11 ILE 45 3.691 -3.164 1.940 344 HD12 ILE 45 HD12 ILE 45 5.423 -3.415 2.163 345 HD13 ILE 45 HD13 ILE 45 4.748 -1.789 2.260 346 H ARG 46 H ARG 46 0.554 -3.229 5.720 347 HA ARG 46 HA ARG 46 -0.891 -0.904 6.232 348 HB2 ARG 46 HB2 ARG 46 -1.661 -3.177 5.274 349 HB3 ARG 46 HB3 ARG 46 -1.904 -3.659 6.944 350 HG2 ARG 46 HG2 ARG 46 -3.194 -1.183 5.840 351 HG3 ARG 46 HG3 ARG 46 -3.904 -2.775 5.592 352 HD2 ARG 46 HD2 ARG 46 -4.115 -3.106 7.975 353 HD3 ARG 46 HD3 ARG 46 -3.252 -1.601 8.299 354 HE ARG 46 HE ARG 46 -5.258 -0.648 6.914 355 HH11 ARG 46 HH11 ARG 46 -5.388 -3.115 9.326 356 HH12 ARG 46 HH12 ARG 46 -6.993 -2.693 9.809 357 HH21 ARG 46 HH21 ARG 46 -7.309 -0.139 7.541 358 HH22 ARG 46 HH22 ARG 46 -8.061 -1.028 8.821 359 H ALA 47 H ALA 47 0.273 -3.379 8.478 360 HA ALA 47 HA ALA 47 -0.891 -2.193 10.816 361 HB1 ALA 47 HB1 ALA 47 1.379 -4.171 10.574 362 HB2 ALA 47 HB2 ALA 47 -0.332 -4.569 10.724 363 HB3 ALA 47 HB3 ALA 47 0.507 -3.773 12.056 364 H TYR 48 H TYR 48 2.256 -1.987 9.222 365 HA TYR 48 HA TYR 48 3.640 -0.613 11.269 366 HB2 TYR 48 HB2 TYR 48 4.732 -1.816 9.395 367 HB3 TYR 48 HB3 TYR 48 4.160 -0.580 8.283 368 HD1 TYR 48 HD1 TYR 48 6.546 -1.335 10.978 369 HD2 TYR 48 HD2 TYR 48 5.227 1.607 8.200 370 HE1 TYR 48 HE1 TYR 48 8.596 -0.040 11.385 371 HE2 TYR 48 HE2 TYR 48 7.274 2.909 8.602 372 HH TYR 48 HH TYR 48 9.019 3.182 10.187 373 H VAL 49 H VAL 49 1.834 0.584 8.440 374 HA VAL 49 HA VAL 49 2.569 3.291 8.717 375 HB VAL 49 HB VAL 49 0.651 3.827 7.260 376 HG11 VAL 49 HG11 VAL 49 2.254 1.424 6.370 377 HG12 VAL 49 HG12 VAL 49 2.757 3.111 6.262 378 HG13 VAL 49 HG13 VAL 49 1.392 2.534 5.304 379 HG21 VAL 49 HG21 VAL 49 -0.978 2.220 8.135 380 HG22 VAL 49 HG22 VAL 49 -0.025 0.887 7.484 381 HG23 VAL 49 HG23 VAL 49 -0.790 2.041 6.391 382 H MET 50 H MET 50 -0.214 1.507 10.023 383 HA MET 50 HA MET 50 -1.536 3.742 11.149 384 HB2 MET 50 HB2 MET 50 -1.602 0.851 12.052 385 HB3 MET 50 HB3 MET 50 -2.755 2.095 12.517 386 HG2 MET 50 HG2 MET 50 -3.361 2.334 10.108 387 HG3 MET 50 HG3 MET 50 -2.323 0.952 9.763 388 HE1 MET 50 HE1 MET 50 -2.767 -1.491 10.714 389 HE2 MET 50 HE2 MET 50 -4.148 -1.918 11.724 390 HE3 MET 50 HE3 MET 50 -2.877 -0.877 12.364 391 H SER 51 H SER 51 1.293 2.069 12.084 392 HA SER 51 HA SER 51 1.161 2.859 14.883 393 HB2 SER 51 HB2 SER 51 2.030 0.653 14.414 394 HB3 SER 51 HB3 SER 51 3.232 1.313 13.308 395 HG SER 51 HG SER 51 3.080 1.671 16.123 396 H ASN 52 H ASN 52 3.068 3.673 11.991 397 HA ASN 52 HA ASN 52 4.715 5.509 13.603 398 HB2 ASN 52 HB2 ASN 52 5.169 4.296 10.873 399 HB3 ASN 52 HB3 ASN 52 6.244 5.483 11.611 400 HD21 ASN 52 HD21 ASN 52 4.990 2.231 11.835 401 HD22 ASN 52 HD22 ASN 52 6.218 1.631 12.892 402 H TYR 53 H TYR 53 2.519 5.546 10.827 403 HA TYR 53 HA TYR 53 3.322 8.248 10.109 404 HB2 TYR 53 HB2 TYR 53 1.259 6.389 8.902 405 HB3 TYR 53 HB3 TYR 53 1.649 7.987 8.268 406 HD1 TYR 53 HD1 TYR 53 3.395 4.818 9.252 407 HD2 TYR 53 HD2 TYR 53 3.226 8.103 6.541 408 HE1 TYR 53 HE1 TYR 53 5.237 3.835 7.960 409 HE2 TYR 53 HE2 TYR 53 5.075 7.124 5.244 410 HH TYR 53 HH TYR 53 6.961 5.542 5.605 411 H THR 54 H THR 54 2.285 10.086 10.583 412 HA THR 54 HA THR 54 0.365 10.015 12.715 413 HB THR 54 HB THR 54 1.973 11.723 12.914 414 HG1 THR 54 HG1 THR 54 0.452 13.694 12.426 415 HG21 THR 54 HG21 THR 54 1.176 12.719 10.170 416 HG22 THR 54 HG22 THR 54 2.675 11.880 10.567 417 HG23 THR 54 HG23 THR 54 2.352 13.477 11.242 418 H ASP 55 H ASP 55 0.170 11.531 9.452 419 HA ASP 55 HA ASP 55 -2.559 12.256 9.889 420 HB2 ASP 55 HB2 ASP 55 -0.708 12.482 7.530 421 HB3 ASP 55 HB3 ASP 55 -2.413 12.915 7.404 422 H HIS 56 H HIS 56 -4.391 11.638 8.751 423 HA HIS 56 HA HIS 56 -4.672 8.833 8.392 424 HB2 HIS 56 HB2 HIS 56 -6.547 11.134 7.807 425 HB3 HIS 56 HB3 HIS 56 -7.000 9.442 7.624 426 HD1 HIS 56 HD1 HIS 56 -7.559 8.140 9.728 427 HD2 HIS 56 HD2 HIS 56 -6.176 11.978 10.517 428 HE1 HIS 56 HE1 HIS 56 -7.995 8.519 12.164 429 HE2 HIS 56 HE2 HIS 56 -7.081 10.811 12.641 430 H GLN 57 H GLN 57 -4.324 11.531 6.106 431 HA GLN 57 HA GLN 57 -4.781 9.896 3.791 432 HB2 GLN 57 HB2 GLN 57 -3.553 12.642 4.089 433 HB3 GLN 57 HB3 GLN 57 -3.812 11.859 2.534 434 HG2 GLN 57 HG2 GLN 57 -5.925 12.664 4.531 435 HG3 GLN 57 HG3 GLN 57 -5.604 13.405 2.964 436 HE21 GLN 57 HE21 GLN 57 -7.010 10.700 4.616 437 HE22 GLN 57 HE22 GLN 57 -7.839 10.033 3.259 438 H LEU 58 H LEU 58 -2.314 9.762 5.929 439 HA LEU 58 HA LEU 58 -0.395 8.795 3.922 440 HB2 LEU 58 HB2 LEU 58 -0.129 9.011 6.932 441 HB3 LEU 58 HB3 LEU 58 1.135 8.484 5.835 442 HG LEU 58 HG LEU 58 -0.091 11.251 5.886 443 HD11 LEU 58 HD11 LEU 58 1.297 10.804 7.849 444 HD12 LEU 58 HD12 LEU 58 2.065 11.970 6.772 445 HD13 LEU 58 HD13 LEU 58 2.625 10.297 6.803 446 HD21 LEU 58 HD21 LEU 58 1.700 11.834 4.312 447 HD22 LEU 58 HD22 LEU 58 0.629 10.603 3.641 448 HD23 LEU 58 HD23 LEU 58 2.213 10.146 4.268 449 H ILE 59 H ILE 59 -2.188 7.732 6.782 450 HA ILE 59 HA ILE 59 -1.537 4.955 6.525 451 HB ILE 59 HB ILE 59 -3.777 6.270 8.082 452 HG12 ILE 59 HG12 ILE 59 -1.005 5.445 9.001 453 HG13 ILE 59 HG13 ILE 59 -1.521 7.103 8.705 454 HG21 ILE 59 HG21 ILE 59 -2.557 3.518 8.329 455 HG22 ILE 59 HG22 ILE 59 -4.184 3.900 7.762 456 HG23 ILE 59 HG23 ILE 59 -3.740 4.211 9.440 457 HD11 ILE 59 HD11 ILE 59 -3.177 6.893 10.499 458 HD12 ILE 59 HD12 ILE 59 -1.534 6.609 11.069 459 HD13 ILE 59 HD13 ILE 59 -2.622 5.246 10.806 460 H GLU 60 H GLU 60 -4.674 6.649 6.153 461 HA GLU 60 HA GLU 60 -6.120 4.507 5.127 462 HB2 GLU 60 HB2 GLU 60 -7.175 6.533 5.988 463 HB3 GLU 60 HB3 GLU 60 -6.536 7.463 4.638 464 HG2 GLU 60 HG2 GLU 60 -7.909 6.224 3.081 465 HG3 GLU 60 HG3 GLU 60 -8.479 5.172 4.377 466 H THR 61 H THR 61 -4.114 6.858 3.389 467 HA THR 61 HA THR 61 -4.810 6.102 0.765 468 HB THR 61 HB THR 61 -2.154 7.148 1.795 469 HG1 THR 61 HG1 THR 61 -2.985 9.129 1.325 470 HG21 THR 61 HG21 THR 61 -1.852 6.076 -0.386 471 HG22 THR 61 HG22 THR 61 -1.733 7.827 -0.542 472 HG23 THR 61 HG23 THR 61 -3.207 6.997 -1.041 473 H THR 62 H THR 62 -2.276 4.873 2.944 474 HA THR 62 HA THR 62 -1.265 2.865 1.239 475 HB THR 62 HB THR 62 -1.368 2.885 4.272 476 HG1 THR 62 HG1 THR 62 -0.085 4.562 3.728 477 HG21 THR 62 HG21 THR 62 -0.962 0.620 3.412 478 HG22 THR 62 HG22 THR 62 0.495 1.275 4.159 479 HG23 THR 62 HG23 THR 62 0.348 1.231 2.403 480 H ASN 63 H ASN 63 -3.778 2.730 3.764 481 HA ASN 63 HA ASN 63 -4.541 0.066 3.517 482 HB2 ASN 63 HB2 ASN 63 -6.298 2.464 4.107 483 HB3 ASN 63 HB3 ASN 63 -6.748 0.787 4.395 484 HD21 ASN 63 HD21 ASN 63 -6.619 2.892 6.319 485 HD22 ASN 63 HD22 ASN 63 -5.450 2.422 7.502 486 H ARG 64 H ARG 64 -5.758 2.898 1.737 487 HA ARG 64 HA ARG 64 -7.645 1.571 0.135 488 HB2 ARG 64 HB2 ARG 64 -7.453 4.064 0.410 489 HB3 ARG 64 HB3 ARG 64 -6.036 4.024 -0.633 490 HG2 ARG 64 HG2 ARG 64 -7.885 2.707 -2.163 491 HG3 ARG 64 HG3 ARG 64 -8.892 3.879 -1.314 492 HD2 ARG 64 HD2 ARG 64 -6.428 4.504 -2.950 493 HD3 ARG 64 HD3 ARG 64 -8.095 4.750 -3.459 494 HE ARG 64 HE ARG 64 -7.821 6.183 -1.125 495 HH11 ARG 64 HH11 ARG 64 -6.331 6.159 -4.229 496 HH12 ARG 64 HH12 ARG 64 -5.982 7.853 -4.190 497 HH21 ARG 64 HH21 ARG 64 -7.332 8.363 -1.082 498 HH22 ARG 64 HH22 ARG 64 -6.543 9.075 -2.447 499 H ALA 65 H ALA 65 -4.222 2.337 -0.447 500 HA ALA 65 HA ALA 65 -4.003 1.324 -3.048 501 HB1 ALA 65 HB1 ALA 65 -1.608 1.250 -2.655 502 HB2 ALA 65 HB2 ALA 65 -1.866 1.357 -0.913 503 HB3 ALA 65 HB3 ALA 65 -2.290 2.717 -1.953 504 H ILE 66 H ILE 66 -3.567 -0.314 0.086 505 HA ILE 66 HA ILE 66 -2.898 -2.861 -0.928 506 HB ILE 66 HB ILE 66 -4.320 -2.162 1.654 507 HG12 ILE 66 HG12 ILE 66 -2.107 -1.106 1.452 508 HG13 ILE 66 HG13 ILE 66 -2.103 -2.358 2.690 509 HG21 ILE 66 HG21 ILE 66 -4.675 -4.500 1.110 510 HG22 ILE 66 HG22 ILE 66 -3.546 -4.358 2.457 511 HG23 ILE 66 HG23 ILE 66 -2.946 -4.727 0.840 512 HD11 ILE 66 HD11 ILE 66 -0.070 -2.407 1.364 513 HD12 ILE 66 HD12 ILE 66 -1.015 -2.641 -0.107 514 HD13 ILE 66 HD13 ILE 66 -0.999 -3.888 1.142 515 H SER 67 H SER 67 -6.063 -1.518 0.053 516 HA SER 67 HA SER 67 -7.636 -3.758 -0.513 517 HB2 SER 67 HB2 SER 67 -8.372 -0.821 -0.642 518 HB3 SER 67 HB3 SER 67 -9.543 -2.135 -0.738 519 HG SER 67 HG SER 67 -9.527 -2.106 1.354 520 H LEU 68 H LEU 68 -6.855 -1.010 -2.667 521 HA LEU 68 HA LEU 68 -8.306 -2.001 -4.894 522 HB2 LEU 68 HB2 LEU 68 -5.980 -0.073 -4.784 523 HB3 LEU 68 HB3 LEU 68 -6.947 -0.382 -6.215 524 HG LEU 68 HG LEU 68 -7.945 0.841 -3.632 525 HD11 LEU 68 HD11 LEU 68 -7.506 2.058 -6.361 526 HD12 LEU 68 HD12 LEU 68 -6.543 2.361 -4.915 527 HD13 LEU 68 HD13 LEU 68 -8.230 2.870 -4.972 528 HD21 LEU 68 HD21 LEU 68 -9.665 -0.536 -4.713 529 HD22 LEU 68 HD22 LEU 68 -9.424 0.346 -6.222 530 HD23 LEU 68 HD23 LEU 68 -10.055 1.181 -4.801 531 H TYR 69 H TYR 69 -4.883 -2.275 -3.972 532 HA TYR 69 HA TYR 69 -3.921 -3.698 -6.171 533 HB2 TYR 69 HB2 TYR 69 -2.390 -2.856 -4.524 534 HB3 TYR 69 HB3 TYR 69 -3.145 -3.802 -3.247 535 HD1 TYR 69 HD1 TYR 69 -1.056 -4.046 -6.311 536 HD2 TYR 69 HD2 TYR 69 -2.459 -6.038 -2.815 537 HE1 TYR 69 HE1 TYR 69 0.569 -5.853 -6.689 538 HE2 TYR 69 HE2 TYR 69 -0.834 -7.842 -3.188 539 HH TYR 69 HH TYR 69 0.455 -8.814 -4.960 540 H MET 70 H MET 70 -5.241 -5.007 -3.123 541 HA MET 70 HA MET 70 -5.157 -7.727 -3.864 542 HB2 MET 70 HB2 MET 70 -6.958 -6.319 -1.879 543 HB3 MET 70 HB3 MET 70 -6.775 -8.062 -2.000 544 HG2 MET 70 HG2 MET 70 -4.344 -6.392 -1.565 545 HG3 MET 70 HG3 MET 70 -5.443 -6.661 -0.218 546 HE1 MET 70 HE1 MET 70 -2.873 -8.285 -2.713 547 HE2 MET 70 HE2 MET 70 -4.358 -9.102 -3.197 548 HE3 MET 70 HE3 MET 70 -3.080 -10.005 -2.387 549 H ALA 71 H ALA 71 -7.820 -5.357 -4.021 550 HA ALA 71 HA ALA 71 -9.808 -7.057 -5.013 551 HB1 ALA 71 HB1 ALA 71 -10.944 -5.018 -5.770 552 HB2 ALA 71 HB2 ALA 71 -9.460 -4.098 -5.518 553 HB3 ALA 71 HB3 ALA 71 -10.288 -4.830 -4.144 554 H ASN 72 H ASN 72 -7.434 -5.081 -6.787 555 HA ASN 72 HA ASN 72 -8.413 -5.755 -9.376 556 HB2 ASN 72 HB2 ASN 72 -6.979 -3.751 -8.802 557 HB3 ASN 72 HB3 ASN 72 -5.605 -4.847 -8.691 558 HD21 ASN 72 HD21 ASN 72 -4.521 -3.890 -10.407 559 HD22 ASN 72 HD22 ASN 72 -5.049 -4.041 -12.043 560 H LEU 73 H LEU 73 -5.960 -7.155 -7.255 561 HA LEU 73 HA LEU 73 -4.932 -9.066 -9.080 562 HB2 LEU 73 HB2 LEU 73 -3.792 -8.426 -6.994 563 HB3 LEU 73 HB3 LEU 73 -5.077 -9.167 -6.056 564 HG LEU 73 HG LEU 73 -4.461 -11.381 -6.966 565 HD11 LEU 73 HD11 LEU 73 -2.392 -11.663 -8.232 566 HD12 LEU 73 HD12 LEU 73 -2.182 -9.913 -8.298 567 HD13 LEU 73 HD13 LEU 73 -3.550 -10.669 -9.116 568 HD21 LEU 73 HD21 LEU 73 -2.160 -9.878 -5.709 569 HD22 LEU 73 HD22 LEU 73 -2.351 -11.632 -5.749 570 HD23 LEU 73 HD23 LEU 73 -3.500 -10.642 -4.852 571 H GLU 74 H GLU 74 -7.538 -9.273 -6.656 572 HA GLU 74 HA GLU 74 -8.235 -11.963 -7.168 573 HB2 GLU 74 HB2 GLU 74 -9.949 -9.720 -6.070 574 HB3 GLU 74 HB3 GLU 74 -10.364 -11.429 -6.019 575 HG2 GLU 74 HG2 GLU 74 -8.124 -10.028 -4.577 576 HG3 GLU 74 HG3 GLU 74 -9.518 -10.852 -3.882 577 H HIS 75 H HIS 75 -9.446 -8.909 -8.550 578 HA HIS 75 HA HIS 75 -11.315 -10.031 -10.331 579 HB2 HIS 75 HB2 HIS 75 -9.686 -7.500 -10.413 580 HB3 HIS 75 HB3 HIS 75 -10.719 -7.945 -11.766 581 HD1 HIS 75 HD1 HIS 75 -10.785 -6.170 -8.626 582 HD2 HIS 75 HD2 HIS 75 -13.539 -8.269 -10.913 583 HE1 HIS 75 HE1 HIS 75 -13.037 -5.396 -7.837 584 HE2 HIS 75 HE2 HIS 75 -14.680 -6.564 -9.347 585 H HIS 76 H HIS 76 -7.815 -9.591 -10.607 586 HA HIS 76 HA HIS 76 -7.590 -10.558 -13.276 587 HB2 HIS 76 HB2 HIS 76 -5.847 -9.206 -12.127 588 HB3 HIS 76 HB3 HIS 76 -5.500 -10.578 -11.083 589 HD1 HIS 76 HD1 HIS 76 -5.571 -9.877 -14.831 590 HD2 HIS 76 HD2 HIS 76 -3.435 -12.062 -12.019 591 HE1 HIS 76 HE1 HIS 76 -3.699 -10.955 -16.102 592 HE2 HIS 76 HE2 HIS 76 -2.290 -12.051 -14.336 593 H HIS 77 H HIS 77 -8.256 -12.142 -10.335 594 HA HIS 77 HA HIS 77 -7.299 -14.754 -11.216 595 HB2 HIS 77 HB2 HIS 77 -8.832 -13.906 -8.745 596 HB3 HIS 77 HB3 HIS 77 -8.350 -15.564 -9.083 597 HD1 HIS 77 HD1 HIS 77 -7.376 -13.858 -6.602 598 HD2 HIS 77 HD2 HIS 77 -5.231 -14.527 -10.099 599 HE1 HIS 77 HE1 HIS 77 -4.966 -13.588 -5.974 600 HE2 HIS 77 HE2 HIS 77 -3.688 -14.135 -8.067 601 H HIS 78 H HIS 78 -10.494 -13.467 -10.206 602 HA HIS 78 HA HIS 78 -12.621 -13.932 -10.845 603 HB2 HIS 78 HB2 HIS 78 -11.248 -15.094 -13.271 604 HB3 HIS 78 HB3 HIS 78 -12.995 -15.120 -13.081 605 HD1 HIS 78 HD1 HIS 78 -10.545 -13.244 -14.735 606 HD2 HIS 78 HD2 HIS 78 -13.880 -12.222 -12.481 607 HE1 HIS 78 HE1 HIS 78 -11.149 -10.916 -15.452 608 HE2 HIS 78 HE2 HIS 78 -13.279 -10.407 -14.221 609 H HIS 79 H HIS 79 -10.577 -16.815 -11.470 610 HA HIS 79 HA HIS 79 -12.621 -18.694 -10.965 611 HB2 HIS 79 HB2 HIS 79 -10.620 -19.276 -12.228 612 HB3 HIS 79 HB3 HIS 79 -9.618 -19.019 -10.804 613 HD1 HIS 79 HD1 HIS 79 -9.345 -20.960 -9.227 614 HD2 HIS 79 HD2 HIS 79 -12.330 -21.598 -12.049 615 HE1 HIS 79 HE1 HIS 79 -10.028 -23.361 -8.953 616 HE2 HIS 79 HE2 HIS 79 -11.861 -23.713 -10.641 617 H HIS 80 H HIS 80 -13.681 -18.760 -9.086 618 HA HIS 80 HA HIS 80 -14.193 -19.021 -6.897 619 HB2 HIS 80 HB2 HIS 80 -12.903 -21.108 -7.250 620 HB3 HIS 80 HB3 HIS 80 -11.446 -20.283 -6.704 621 HD1 HIS 80 HD1 HIS 80 -14.751 -21.569 -5.431 622 HD2 HIS 80 HD2 HIS 80 -11.162 -20.091 -3.947 623 HE1 HIS 80 HE1 HIS 80 -14.843 -21.946 -2.955 624 HE2 HIS 80 HE2 HIS 80 -12.614 -21.172 -2.097 Start of MODEL 9 1 H1 MET 1 H1 MET 1 7.549 -19.110 -7.772 2 H2 MET 1 H2 MET 1 8.186 -18.309 -6.428 3 H3 MET 1 H3 MET 1 9.195 -19.235 -7.415 4 HA MET 1 HA MET 1 8.873 -17.738 -9.251 5 HB2 MET 1 HB2 MET 1 7.145 -16.214 -7.282 6 HB3 MET 1 HB3 MET 1 7.689 -15.565 -8.824 7 HG2 MET 1 HG2 MET 1 5.424 -16.352 -9.021 8 HG3 MET 1 HG3 MET 1 6.492 -17.370 -9.987 9 HE1 MET 1 HE1 MET 1 4.257 -17.103 -6.785 10 HE2 MET 1 HE2 MET 1 5.851 -17.356 -6.078 11 HE3 MET 1 HE3 MET 1 4.622 -18.615 -5.949 12 H ALA 2 H ALA 2 9.752 -15.339 -9.256 13 HA ALA 2 HA ALA 2 12.220 -15.405 -7.803 14 HB1 ALA 2 HB1 ALA 2 11.056 -13.211 -9.524 15 HB2 ALA 2 HB2 ALA 2 12.076 -14.534 -10.088 16 HB3 ALA 2 HB3 ALA 2 12.731 -13.329 -8.979 17 H GLY 3 H GLY 3 12.974 -13.984 -6.208 18 HA2 GLY 3 HA2 GLY 3 11.019 -12.913 -4.404 19 HA3 GLY 3 HA3 GLY 3 12.763 -12.778 -4.247 20 H ASP 4 H ASP 4 11.486 -10.630 -3.471 21 HA ASP 4 HA ASP 4 11.386 -8.375 -3.685 22 HB2 ASP 4 HB2 ASP 4 13.571 -8.602 -4.840 23 HB3 ASP 4 HB3 ASP 4 12.720 -8.749 -6.375 24 HA PRO 5 HA PRO 5 7.558 -8.264 -6.040 25 HB2 PRO 5 HB2 PRO 5 6.567 -6.206 -4.327 26 HB3 PRO 5 HB3 PRO 5 6.228 -7.935 -4.242 27 HG2 PRO 5 HG2 PRO 5 7.659 -6.485 -2.343 28 HG3 PRO 5 HG3 PRO 5 7.694 -8.246 -2.528 29 HD2 PRO 5 HD2 PRO 5 9.647 -6.196 -3.505 30 HD3 PRO 5 HD3 PRO 5 9.945 -7.822 -2.849 31 H MET 6 H MET 6 8.398 -5.013 -4.786 32 HA MET 6 HA MET 6 8.474 -2.961 -5.710 33 HB2 MET 6 HB2 MET 6 9.135 -4.549 -8.174 34 HB3 MET 6 HB3 MET 6 8.960 -2.802 -8.237 35 HG2 MET 6 HG2 MET 6 10.691 -2.721 -6.368 36 HG3 MET 6 HG3 MET 6 10.998 -4.417 -6.737 37 HE1 MET 6 HE1 MET 6 10.604 -4.515 -9.893 38 HE2 MET 6 HE2 MET 6 11.952 -5.285 -9.053 39 HE3 MET 6 HE3 MET 6 12.256 -4.240 -10.441 40 H THR 7 H THR 7 6.321 -5.190 -7.441 41 HA THR 7 HA THR 7 4.758 -3.472 -8.900 42 HB THR 7 HB THR 7 2.885 -5.051 -8.628 43 HG1 THR 7 HG1 THR 7 3.148 -6.827 -7.201 44 HG21 THR 7 HG21 THR 7 5.555 -6.448 -8.890 45 HG22 THR 7 HG22 THR 7 4.715 -5.598 -10.185 46 HG23 THR 7 HG23 THR 7 4.007 -7.050 -9.479 47 H PHE 8 H PHE 8 4.393 -4.182 -5.431 48 HA PHE 8 HA PHE 8 2.145 -2.691 -4.823 49 HB2 PHE 8 HB2 PHE 8 3.352 -4.115 -3.204 50 HB3 PHE 8 HB3 PHE 8 4.674 -2.955 -3.168 51 HD1 PHE 8 HD1 PHE 8 1.130 -3.488 -2.266 52 HD2 PHE 8 HD2 PHE 8 4.566 -1.007 -1.801 53 HE1 PHE 8 HE1 PHE 8 0.025 -2.302 -0.417 54 HE2 PHE 8 HE2 PHE 8 3.461 0.182 0.048 55 HZ PHE 8 HZ PHE 8 1.187 -0.468 0.741 56 H TYR 9 H TYR 9 5.475 -1.573 -5.228 57 HA TYR 9 HA TYR 9 4.902 1.177 -4.626 58 HB2 TYR 9 HB2 TYR 9 7.139 0.223 -4.261 59 HB3 TYR 9 HB3 TYR 9 7.291 -0.107 -5.982 60 HD1 TYR 9 HD1 TYR 9 7.028 2.629 -3.487 61 HD2 TYR 9 HD2 TYR 9 8.094 1.556 -7.468 62 HE1 TYR 9 HE1 TYR 9 8.044 4.842 -3.804 63 HE2 TYR 9 HE2 TYR 9 9.119 3.769 -7.795 64 HH TYR 9 HH TYR 9 9.777 5.888 -5.238 65 H ASN 10 H ASN 10 5.279 -0.748 -7.579 66 HA ASN 10 HA ASN 10 5.177 1.275 -9.492 67 HB2 ASN 10 HB2 ASN 10 5.737 -1.026 -10.064 68 HB3 ASN 10 HB3 ASN 10 4.113 -1.559 -9.645 69 HD21 ASN 10 HD21 ASN 10 2.455 -1.246 -11.094 70 HD22 ASN 10 HD22 ASN 10 2.708 -0.672 -12.705 71 H PHE 11 H PHE 11 2.582 -0.239 -7.680 72 HA PHE 11 HA PHE 11 0.343 0.600 -9.092 73 HB2 PHE 11 HB2 PHE 11 0.285 -0.943 -7.163 74 HB3 PHE 11 HB3 PHE 11 0.659 0.392 -6.081 75 HD1 PHE 11 HD1 PHE 11 -1.913 -1.069 -8.280 76 HD2 PHE 11 HD2 PHE 11 -1.042 1.947 -5.398 77 HE1 PHE 11 HE1 PHE 11 -4.319 -0.608 -8.035 78 HE2 PHE 11 HE2 PHE 11 -3.444 2.409 -5.151 79 HZ PHE 11 HZ PHE 11 -5.084 1.132 -6.471 80 H ILE 12 H ILE 12 2.303 2.414 -6.759 81 HA ILE 12 HA ILE 12 0.613 4.794 -7.177 82 HB ILE 12 HB ILE 12 1.001 4.079 -4.836 83 HG12 ILE 12 HG12 ILE 12 1.640 6.301 -3.950 84 HG13 ILE 12 HG13 ILE 12 2.245 6.759 -5.538 85 HG21 ILE 12 HG21 ILE 12 3.894 4.751 -5.395 86 HG22 ILE 12 HG22 ILE 12 3.236 3.150 -5.046 87 HG23 ILE 12 HG23 ILE 12 3.213 4.403 -3.805 88 HD11 ILE 12 HD11 ILE 12 -0.022 6.534 -6.446 89 HD12 ILE 12 HD12 ILE 12 0.065 7.713 -5.138 90 HD13 ILE 12 HD13 ILE 12 -0.609 6.113 -4.837 91 H MET 13 H MET 13 3.638 3.476 -8.076 92 HA MET 13 HA MET 13 5.261 5.744 -8.304 93 HB2 MET 13 HB2 MET 13 6.064 3.412 -8.578 94 HB3 MET 13 HB3 MET 13 5.226 3.318 -10.119 95 HG2 MET 13 HG2 MET 13 6.660 5.029 -11.048 96 HG3 MET 13 HG3 MET 13 7.445 5.254 -9.488 97 HE1 MET 13 HE1 MET 13 7.825 1.423 -12.038 98 HE2 MET 13 HE2 MET 13 6.897 2.840 -12.527 99 HE3 MET 13 HE3 MET 13 6.347 1.847 -11.176 100 H GLY 14 H GLY 14 5.688 7.185 -10.015 101 HA2 GLY 14 HA2 GLY 14 5.228 8.222 -12.094 102 HA3 GLY 14 HA3 GLY 14 3.762 7.265 -12.235 103 H PHE 15 H PHE 15 2.709 7.844 -9.628 104 HA PHE 15 HA PHE 15 1.453 10.357 -10.223 105 HB2 PHE 15 HB2 PHE 15 1.180 8.583 -7.787 106 HB3 PHE 15 HB3 PHE 15 0.115 9.924 -8.202 107 HD1 PHE 15 HD1 PHE 15 -0.772 9.743 -10.763 108 HD2 PHE 15 HD2 PHE 15 0.374 6.486 -8.272 109 HE1 PHE 15 HE1 PHE 15 -2.160 8.224 -12.113 110 HE2 PHE 15 HE2 PHE 15 -1.008 4.963 -9.616 111 HZ PHE 15 HZ PHE 15 -2.280 5.832 -11.538 112 H GLN 16 H GLN 16 4.352 9.693 -8.758 113 HA GLN 16 HA GLN 16 4.411 11.771 -6.777 114 HB2 GLN 16 HB2 GLN 16 6.865 11.449 -6.832 115 HB3 GLN 16 HB3 GLN 16 5.997 9.932 -6.634 116 HG2 GLN 16 HG2 GLN 16 6.435 9.270 -8.851 117 HG3 GLN 16 HG3 GLN 16 6.938 10.890 -9.325 118 HE21 GLN 16 HE21 GLN 16 8.578 11.341 -6.997 119 HE22 GLN 16 HE22 GLN 16 9.982 10.354 -7.188 120 H ASN 17 H ASN 17 4.494 11.775 -10.179 121 HA ASN 17 HA ASN 17 6.253 13.904 -10.728 122 HB2 ASN 17 HB2 ASN 17 5.380 12.343 -12.442 123 HB3 ASN 17 HB3 ASN 17 3.782 13.056 -12.267 124 HD21 ASN 17 HD21 ASN 17 6.753 14.916 -12.207 125 HD22 ASN 17 HD22 ASN 17 6.484 15.722 -13.705 126 H ASP 18 H ASP 18 2.803 13.866 -9.956 127 HA ASP 18 HA ASP 18 2.653 16.776 -10.075 128 HB2 ASP 18 HB2 ASP 18 0.235 16.406 -9.610 129 HB3 ASP 18 HB3 ASP 18 0.806 15.558 -11.043 130 H ASN 19 H ASN 19 0.586 16.884 -7.902 131 HA ASN 19 HA ASN 19 2.486 16.793 -5.640 132 HB2 ASN 19 HB2 ASN 19 2.006 19.083 -6.700 133 HB3 ASN 19 HB3 ASN 19 0.405 18.948 -5.981 134 HD21 ASN 19 HD21 ASN 19 3.830 19.121 -5.306 135 HD22 ASN 19 HD22 ASN 19 3.666 19.690 -3.682 136 H THR 20 H THR 20 0.250 14.897 -6.388 137 HA THR 20 HA THR 20 -1.720 15.185 -4.309 138 HB THR 20 HB THR 20 -2.250 12.762 -4.739 139 HG1 THR 20 HG1 THR 20 -0.296 13.029 -6.816 140 HG21 THR 20 HG21 THR 20 -2.190 14.582 -7.151 141 HG22 THR 20 HG22 THR 20 -3.460 14.498 -5.929 142 HG23 THR 20 HG23 THR 20 -3.171 13.125 -6.997 143 HA PRO 21 HA PRO 21 0.596 13.817 -0.724 144 HB2 PRO 21 HB2 PRO 21 -2.030 12.538 -0.053 145 HB3 PRO 21 HB3 PRO 21 -0.983 13.550 0.950 146 HG2 PRO 21 HG2 PRO 21 -3.189 14.568 -0.122 147 HG3 PRO 21 HG3 PRO 21 -1.693 15.521 -0.075 148 HD2 PRO 21 HD2 PRO 21 -2.963 14.095 -2.380 149 HD3 PRO 21 HD3 PRO 21 -2.091 15.642 -2.350 150 H PHE 22 H PHE 22 -1.476 11.616 -2.546 151 HA PHE 22 HA PHE 22 -0.433 9.164 -1.682 152 HB2 PHE 22 HB2 PHE 22 -1.536 9.913 -4.408 153 HB3 PHE 22 HB3 PHE 22 -1.298 8.268 -3.828 154 HD1 PHE 22 HD1 PHE 22 -3.246 11.374 -3.306 155 HD2 PHE 22 HD2 PHE 22 -2.899 7.217 -2.425 156 HE1 PHE 22 HE1 PHE 22 -5.508 11.389 -2.342 157 HE2 PHE 22 HE2 PHE 22 -5.162 7.232 -1.458 158 HZ PHE 22 HZ PHE 22 -6.471 9.319 -1.417 159 H GLY 23 H GLY 23 0.485 11.149 -4.516 160 HA2 GLY 23 HA2 GLY 23 2.669 9.560 -5.336 161 HA3 GLY 23 HA3 GLY 23 2.434 11.255 -5.733 162 H ILE 24 H ILE 24 2.490 12.291 -3.090 163 HA ILE 24 HA ILE 24 5.255 12.583 -2.616 164 HB ILE 24 HB ILE 24 2.960 13.148 -0.724 165 HG12 ILE 24 HG12 ILE 24 2.707 14.356 -2.832 166 HG13 ILE 24 HG13 ILE 24 3.145 15.475 -1.548 167 HG21 ILE 24 HG21 ILE 24 4.513 14.722 0.367 168 HG22 ILE 24 HG22 ILE 24 5.811 14.155 -0.684 169 HG23 ILE 24 HG23 ILE 24 5.070 13.053 0.476 170 HD11 ILE 24 HD11 ILE 24 5.473 15.449 -2.361 171 HD12 ILE 24 HD12 ILE 24 4.326 16.023 -3.573 172 HD13 ILE 24 HD13 ILE 24 4.973 14.387 -3.677 173 H LEU 25 H LEU 25 2.810 10.527 -1.058 174 HA LEU 25 HA LEU 25 4.360 9.482 1.026 175 HB2 LEU 25 HB2 LEU 25 1.902 9.216 0.779 176 HB3 LEU 25 HB3 LEU 25 2.165 8.094 -0.537 177 HG LEU 25 HG LEU 25 1.571 7.119 1.754 178 HD11 LEU 25 HD11 LEU 25 4.069 6.100 0.406 179 HD12 LEU 25 HD12 LEU 25 2.411 5.743 -0.080 180 HD13 LEU 25 HD13 LEU 25 3.011 5.184 1.479 181 HD21 LEU 25 HD21 LEU 25 4.462 7.786 2.309 182 HD22 LEU 25 HD22 LEU 25 3.409 6.795 3.321 183 HD23 LEU 25 HD23 LEU 25 3.059 8.509 3.098 184 H ALA 26 H ALA 26 4.062 8.438 -2.354 185 HA ALA 26 HA ALA 26 5.495 6.073 -2.332 186 HB1 ALA 26 HB1 ALA 26 5.988 6.481 -4.682 187 HB2 ALA 26 HB2 ALA 26 5.586 8.189 -4.488 188 HB3 ALA 26 HB3 ALA 26 4.332 6.962 -4.308 189 H GLU 27 H GLU 27 6.829 9.376 -2.706 190 HA GLU 27 HA GLU 27 9.552 8.459 -2.639 191 HB2 GLU 27 HB2 GLU 27 8.380 11.234 -2.348 192 HB3 GLU 27 HB3 GLU 27 10.106 10.894 -2.395 193 HG2 GLU 27 HG2 GLU 27 9.761 9.849 -4.642 194 HG3 GLU 27 HG3 GLU 27 8.096 10.427 -4.590 195 H HIS 28 H HIS 28 7.244 9.526 -0.227 196 HA HIS 28 HA HIS 28 9.065 10.106 1.849 197 HB2 HIS 28 HB2 HIS 28 6.603 10.703 1.794 198 HB3 HIS 28 HB3 HIS 28 6.264 9.031 2.224 199 HD1 HIS 28 HD1 HIS 28 7.053 12.274 3.671 200 HD2 HIS 28 HD2 HIS 28 7.368 8.302 4.848 201 HE1 HIS 28 HE1 HIS 28 7.372 12.334 6.159 202 HE2 HIS 28 HE2 HIS 28 7.763 9.938 6.811 203 H VAL 29 H VAL 29 7.452 7.060 0.927 204 HA VAL 29 HA VAL 29 8.748 5.561 3.030 205 HB VAL 29 HB VAL 29 7.865 3.548 1.929 206 HG11 VAL 29 HG11 VAL 29 5.463 4.070 2.141 207 HG12 VAL 29 HG12 VAL 29 5.850 5.792 2.146 208 HG13 VAL 29 HG13 VAL 29 6.414 4.758 3.459 209 HG21 VAL 29 HG21 VAL 29 6.868 5.436 -0.217 210 HG22 VAL 29 HG22 VAL 29 6.467 3.722 -0.088 211 HG23 VAL 29 HG23 VAL 29 8.130 4.217 -0.412 212 H SER 30 H SER 30 9.416 6.282 -0.343 213 HA SER 30 HA SER 30 11.647 4.504 -0.611 214 HB2 SER 30 HB2 SER 30 10.442 5.304 -2.588 215 HB3 SER 30 HB3 SER 30 10.883 6.969 -2.212 216 HG SER 30 HG SER 30 12.899 6.611 -2.861 217 H GLU 31 H GLU 31 11.223 7.366 1.098 218 HA GLU 31 HA GLU 31 13.809 8.535 0.921 219 HB2 GLU 31 HB2 GLU 31 11.855 9.769 1.744 220 HB3 GLU 31 HB3 GLU 31 11.712 8.667 3.107 221 HG2 GLU 31 HG2 GLU 31 14.025 9.428 3.798 222 HG3 GLU 31 HG3 GLU 31 13.867 10.702 2.587 223 H ASP 32 H ASP 32 12.453 5.937 2.849 224 HA ASP 32 HA ASP 32 14.517 5.854 4.821 225 HB2 ASP 32 HB2 ASP 32 12.094 4.912 4.913 226 HB3 ASP 32 HB3 ASP 32 12.767 3.507 4.093 227 H LYS 33 H LYS 33 15.442 3.286 5.004 228 HA LYS 33 HA LYS 33 17.535 3.283 3.085 229 HB2 LYS 33 HB2 LYS 33 16.823 1.032 4.980 230 HB3 LYS 33 HB3 LYS 33 18.392 1.356 4.245 231 HG2 LYS 33 HG2 LYS 33 18.426 3.536 5.495 232 HG3 LYS 33 HG3 LYS 33 16.977 2.997 6.342 233 HD2 LYS 33 HD2 LYS 33 18.618 2.363 7.830 234 HD3 LYS 33 HD3 LYS 33 18.435 0.885 6.888 235 HE2 LYS 33 HE2 LYS 33 20.533 3.001 6.389 236 HE3 LYS 33 HE3 LYS 33 20.804 1.519 7.301 237 HZ1 LYS 33 HZ1 LYS 33 20.034 1.673 4.435 238 HZ2 LYS 33 HZ2 LYS 33 20.296 0.248 5.307 239 HZ3 LYS 33 HZ3 LYS 33 21.572 1.315 5.027 240 H ALA 34 H ALA 34 14.403 2.172 2.794 241 HA ALA 34 HA ALA 34 13.316 1.240 1.030 242 HB1 ALA 34 HB1 ALA 34 14.450 0.962 -1.098 243 HB2 ALA 34 HB2 ALA 34 16.018 1.113 -0.304 244 HB3 ALA 34 HB3 ALA 34 14.920 2.488 -0.351 245 H PHE 35 H PHE 35 14.779 -0.453 3.149 246 HA PHE 35 HA PHE 35 14.526 -3.016 1.706 247 HB2 PHE 35 HB2 PHE 35 16.351 -2.272 3.991 248 HB3 PHE 35 HB3 PHE 35 16.009 -3.948 3.572 249 HD1 PHE 35 HD1 PHE 35 16.599 -4.764 1.255 250 HD2 PHE 35 HD2 PHE 35 17.962 -1.029 2.787 251 HE1 PHE 35 HE1 PHE 35 18.355 -4.702 -0.466 252 HE2 PHE 35 HE2 PHE 35 19.718 -0.965 1.065 253 HZ PHE 35 HZ PHE 35 19.916 -2.800 -0.563 254 HA PRO 36 HA PRO 36 10.952 -3.370 4.525 255 HB2 PRO 36 HB2 PRO 36 10.588 -5.801 2.852 256 HB3 PRO 36 HB3 PRO 36 9.430 -4.525 3.249 257 HG2 PRO 36 HG2 PRO 36 10.502 -4.683 0.809 258 HG3 PRO 36 HG3 PRO 36 10.226 -3.109 1.578 259 HD2 PRO 36 HD2 PRO 36 12.782 -4.653 1.294 260 HD3 PRO 36 HD3 PRO 36 12.492 -2.910 1.102 261 H ARG 37 H ARG 37 11.309 -4.225 6.498 262 HA ARG 37 HA ARG 37 13.204 -6.422 6.803 263 HB2 ARG 37 HB2 ARG 37 13.336 -4.332 8.181 264 HB3 ARG 37 HB3 ARG 37 11.829 -4.805 8.959 265 HG2 ARG 37 HG2 ARG 37 12.887 -6.830 9.811 266 HG3 ARG 37 HG3 ARG 37 14.391 -6.402 8.996 267 HD2 ARG 37 HD2 ARG 37 14.418 -4.292 10.358 268 HD3 ARG 37 HD3 ARG 37 13.045 -4.936 11.263 269 HE ARG 37 HE ARG 37 14.999 -6.883 11.332 270 HH11 ARG 37 HH11 ARG 37 14.676 -3.631 12.410 271 HH12 ARG 37 HH12 ARG 37 15.802 -3.840 13.703 272 HH21 ARG 37 HH21 ARG 37 16.461 -7.128 12.959 273 HH22 ARG 37 HH22 ARG 37 16.794 -5.796 14.016 274 H LEU 38 H LEU 38 9.938 -5.679 8.102 275 HA LEU 38 HA LEU 38 9.438 -8.595 8.288 276 HB2 LEU 38 HB2 LEU 38 8.278 -6.386 9.999 277 HB3 LEU 38 HB3 LEU 38 7.910 -8.094 10.149 278 HG LEU 38 HG LEU 38 10.614 -6.832 10.663 279 HD11 LEU 38 HD11 LEU 38 8.583 -7.949 12.598 280 HD12 LEU 38 HD12 LEU 38 8.967 -6.242 12.369 281 HD13 LEU 38 HD13 LEU 38 10.188 -7.340 13.008 282 HD21 LEU 38 HD21 LEU 38 10.830 -9.105 9.822 283 HD22 LEU 38 HD22 LEU 38 9.677 -9.681 11.025 284 HD23 LEU 38 HD23 LEU 38 11.237 -9.037 11.535 285 H GLU 39 H GLU 39 8.791 -6.140 6.368 286 HA GLU 39 HA GLU 39 5.934 -5.989 6.367 287 HB2 GLU 39 HB2 GLU 39 8.002 -4.935 4.428 288 HB3 GLU 39 HB3 GLU 39 6.284 -4.587 4.315 289 HG2 GLU 39 HG2 GLU 39 7.333 -2.722 5.349 290 HG3 GLU 39 HG3 GLU 39 6.397 -3.555 6.583 291 H GLU 40 H GLU 40 7.206 -8.667 5.784 292 HA GLU 40 HA GLU 40 6.649 -9.484 3.154 293 HB2 GLU 40 HB2 GLU 40 7.875 -10.882 4.764 294 HB3 GLU 40 HB3 GLU 40 6.423 -11.050 5.740 295 HG2 GLU 40 HG2 GLU 40 5.346 -12.146 3.726 296 HG3 GLU 40 HG3 GLU 40 6.952 -12.186 3.003 297 H ARG 41 H ARG 41 4.618 -9.465 6.049 298 HA ARG 41 HA ARG 41 2.263 -10.330 4.553 299 HB2 ARG 41 HB2 ARG 41 2.550 -9.684 7.500 300 HB3 ARG 41 HB3 ARG 41 1.213 -10.537 6.736 301 HG2 ARG 41 HG2 ARG 41 4.050 -11.565 6.766 302 HG3 ARG 41 HG3 ARG 41 2.840 -11.988 7.976 303 HD2 ARG 41 HD2 ARG 41 2.511 -12.468 5.011 304 HD3 ARG 41 HD3 ARG 41 3.115 -13.674 6.148 305 HE ARG 41 HE ARG 41 0.665 -12.709 7.098 306 HH11 ARG 41 HH11 ARG 41 1.892 -14.603 4.485 307 HH12 ARG 41 HH12 ARG 41 0.438 -15.531 4.342 308 HH21 ARG 41 HH21 ARG 41 -1.200 -13.905 6.881 309 HH22 ARG 41 HH22 ARG 41 -1.281 -15.139 5.672 310 H HIS 42 H HIS 42 0.895 -8.865 3.670 311 HA HIS 42 HA HIS 42 1.209 -6.103 3.856 312 HB2 HIS 42 HB2 HIS 42 -1.250 -7.671 3.050 313 HB3 HIS 42 HB3 HIS 42 -1.043 -5.943 2.790 314 HD1 HIS 42 HD1 HIS 42 -1.147 -8.560 0.708 315 HD2 HIS 42 HD2 HIS 42 1.970 -5.943 1.533 316 HE1 HIS 42 HE1 HIS 42 0.380 -8.683 -1.283 317 HE2 HIS 42 HE2 HIS 42 2.369 -7.286 -0.634 318 H GLN 43 H GLN 43 -0.435 -8.213 6.036 319 HA GLN 43 HA GLN 43 -2.169 -6.404 7.308 320 HB2 GLN 43 HB2 GLN 43 -2.282 -8.814 7.709 321 HB3 GLN 43 HB3 GLN 43 -0.690 -8.786 8.457 322 HG2 GLN 43 HG2 GLN 43 -1.591 -7.315 10.235 323 HG3 GLN 43 HG3 GLN 43 -3.188 -7.457 9.502 324 HE21 GLN 43 HE21 GLN 43 -4.283 -9.426 9.632 325 HE22 GLN 43 HE22 GLN 43 -3.827 -10.648 10.763 326 H VAL 44 H VAL 44 1.155 -7.382 8.256 327 HA VAL 44 HA VAL 44 1.364 -5.555 10.390 328 HB VAL 44 HB VAL 44 3.760 -5.953 10.389 329 HG11 VAL 44 HG11 VAL 44 3.761 -8.393 10.625 330 HG12 VAL 44 HG12 VAL 44 2.214 -8.476 9.780 331 HG13 VAL 44 HG13 VAL 44 2.322 -7.673 11.347 332 HG21 VAL 44 HG21 VAL 44 4.871 -7.290 8.676 333 HG22 VAL 44 HG22 VAL 44 4.174 -5.831 7.974 334 HG23 VAL 44 HG23 VAL 44 3.370 -7.385 7.757 335 H ILE 45 H ILE 45 2.013 -5.183 6.947 336 HA ILE 45 HA ILE 45 3.331 -2.710 6.993 337 HB ILE 45 HB ILE 45 1.320 -3.698 4.952 338 HG12 ILE 45 HG12 ILE 45 4.344 -3.957 5.032 339 HG13 ILE 45 HG13 ILE 45 3.190 -5.264 5.262 340 HG21 ILE 45 HG21 ILE 45 2.416 -2.147 3.398 341 HG22 ILE 45 HG22 ILE 45 3.436 -1.555 4.710 342 HG23 ILE 45 HG23 ILE 45 1.692 -1.295 4.762 343 HD11 ILE 45 HD11 ILE 45 2.410 -4.963 2.956 344 HD12 ILE 45 HD12 ILE 45 4.129 -5.342 3.043 345 HD13 ILE 45 HD13 ILE 45 3.607 -3.688 2.732 346 H ARG 46 H ARG 46 -0.175 -3.374 6.726 347 HA ARG 46 HA ARG 46 -1.087 -0.736 6.865 348 HB2 ARG 46 HB2 ARG 46 -2.605 -2.467 6.207 349 HB3 ARG 46 HB3 ARG 46 -2.372 -3.337 7.717 350 HG2 ARG 46 HG2 ARG 46 -3.522 -1.573 8.941 351 HG3 ARG 46 HG3 ARG 46 -3.708 -0.639 7.456 352 HD2 ARG 46 HD2 ARG 46 -4.845 -3.411 7.849 353 HD3 ARG 46 HD3 ARG 46 -5.746 -1.929 8.177 354 HE ARG 46 HE ARG 46 -4.876 -1.621 5.619 355 HH11 ARG 46 HH11 ARG 46 -6.711 -4.040 7.257 356 HH12 ARG 46 HH12 ARG 46 -7.612 -4.452 5.840 357 HH21 ARG 46 HH21 ARG 46 -6.053 -2.141 3.830 358 HH22 ARG 46 HH22 ARG 46 -7.238 -3.397 3.921 359 H ALA 47 H ALA 47 -0.443 -3.041 9.500 360 HA ALA 47 HA ALA 47 -1.339 -1.393 11.615 361 HB1 ALA 47 HB1 ALA 47 -0.151 -2.921 13.083 362 HB2 ALA 47 HB2 ALA 47 0.745 -3.579 11.711 363 HB3 ALA 47 HB3 ALA 47 -0.998 -3.821 11.825 364 H TYR 48 H TYR 48 1.971 -1.945 10.372 365 HA TYR 48 HA TYR 48 3.194 -0.252 12.282 366 HB2 TYR 48 HB2 TYR 48 4.147 -1.619 9.798 367 HB3 TYR 48 HB3 TYR 48 5.165 -0.392 10.547 368 HD1 TYR 48 HD1 TYR 48 3.652 -3.730 11.002 369 HD2 TYR 48 HD2 TYR 48 6.217 -0.776 12.680 370 HE1 TYR 48 HE1 TYR 48 4.469 -5.372 12.637 371 HE2 TYR 48 HE2 TYR 48 7.042 -2.410 14.314 372 HH TYR 48 HH TYR 48 6.421 -5.754 14.051 373 H VAL 49 H VAL 49 1.989 0.435 9.003 374 HA VAL 49 HA VAL 49 3.179 3.017 8.853 375 HB VAL 49 HB VAL 49 1.548 3.565 7.104 376 HG11 VAL 49 HG11 VAL 49 3.537 2.312 6.498 377 HG12 VAL 49 HG12 VAL 49 2.171 1.800 5.507 378 HG13 VAL 49 HG13 VAL 49 2.716 0.790 6.846 379 HG21 VAL 49 HG21 VAL 49 -0.442 2.484 8.034 380 HG22 VAL 49 HG22 VAL 49 0.273 0.897 7.753 381 HG23 VAL 49 HG23 VAL 49 -0.141 1.932 6.386 382 H MET 50 H MET 50 0.097 1.883 10.188 383 HA MET 50 HA MET 50 -0.761 4.512 10.996 384 HB2 MET 50 HB2 MET 50 -1.725 1.780 11.893 385 HB3 MET 50 HB3 MET 50 -2.511 3.307 12.274 386 HG2 MET 50 HG2 MET 50 -2.874 3.685 9.864 387 HG3 MET 50 HG3 MET 50 -2.169 2.105 9.536 388 HE1 MET 50 HE1 MET 50 -4.743 -0.276 11.334 389 HE2 MET 50 HE2 MET 50 -3.338 0.463 12.105 390 HE3 MET 50 HE3 MET 50 -3.211 -0.179 10.465 391 H SER 51 H SER 51 1.317 2.095 12.297 392 HA SER 51 HA SER 51 1.236 2.993 15.032 393 HB2 SER 51 HB2 SER 51 1.844 0.691 14.589 394 HB3 SER 51 HB3 SER 51 3.193 1.197 13.574 395 HG SER 51 HG SER 51 2.919 1.708 16.356 396 H ASN 52 H ASN 52 3.419 3.522 12.280 397 HA ASN 52 HA ASN 52 5.145 5.244 13.872 398 HB2 ASN 52 HB2 ASN 52 5.262 4.346 10.989 399 HB3 ASN 52 HB3 ASN 52 6.391 5.516 11.669 400 HD21 ASN 52 HD21 ASN 52 5.428 2.206 11.575 401 HD22 ASN 52 HD22 ASN 52 6.785 1.574 12.438 402 H TYR 53 H TYR 53 2.793 5.581 11.234 403 HA TYR 53 HA TYR 53 3.194 8.495 11.255 404 HB2 TYR 53 HB2 TYR 53 1.715 6.734 9.281 405 HB3 TYR 53 HB3 TYR 53 1.884 8.483 9.145 406 HD1 TYR 53 HD1 TYR 53 4.323 9.402 9.083 407 HD2 TYR 53 HD2 TYR 53 3.310 5.346 8.273 408 HE1 TYR 53 HE1 TYR 53 6.443 9.119 7.876 409 HE2 TYR 53 HE2 TYR 53 5.431 5.054 7.066 410 HH TYR 53 HH TYR 53 7.980 7.218 7.272 411 H THR 54 H THR 54 1.080 9.712 10.696 412 HA THR 54 HA THR 54 -1.253 8.677 12.160 413 HB THR 54 HB THR 54 -0.275 10.010 13.858 414 HG1 THR 54 HG1 THR 54 -2.162 10.907 14.159 415 HG21 THR 54 HG21 THR 54 0.105 12.205 11.808 416 HG22 THR 54 HG22 THR 54 1.381 11.204 12.503 417 HG23 THR 54 HG23 THR 54 0.484 12.323 13.527 418 H ASP 55 H ASP 55 0.086 10.992 9.870 419 HA ASP 55 HA ASP 55 -2.225 12.339 9.110 420 HB2 ASP 55 HB2 ASP 55 0.181 11.628 7.416 421 HB3 ASP 55 HB3 ASP 55 -1.022 12.850 7.011 422 H HIS 56 H HIS 56 -4.052 11.632 8.254 423 HA HIS 56 HA HIS 56 -4.517 9.054 7.253 424 HB2 HIS 56 HB2 HIS 56 -6.088 11.603 6.796 425 HB3 HIS 56 HB3 HIS 56 -6.670 9.990 6.399 426 HD1 HIS 56 HD1 HIS 56 -7.571 8.560 8.301 427 HD2 HIS 56 HD2 HIS 56 -5.976 12.173 9.600 428 HE1 HIS 56 HE1 HIS 56 -8.248 8.766 10.705 429 HE2 HIS 56 HE2 HIS 56 -7.366 11.000 11.444 430 H GLN 57 H GLN 57 -3.553 12.020 5.624 431 HA GLN 57 HA GLN 57 -3.969 11.304 2.955 432 HB2 GLN 57 HB2 GLN 57 -1.746 12.969 4.164 433 HB3 GLN 57 HB3 GLN 57 -2.103 12.888 2.445 434 HG2 GLN 57 HG2 GLN 57 -3.972 13.909 4.582 435 HG3 GLN 57 HG3 GLN 57 -3.016 14.902 3.482 436 HE21 GLN 57 HE21 GLN 57 -5.875 14.847 3.812 437 HE22 GLN 57 HE22 GLN 57 -6.538 14.433 2.273 438 H LEU 58 H LEU 58 -1.247 10.555 5.093 439 HA LEU 58 HA LEU 58 0.250 9.192 3.032 440 HB2 LEU 58 HB2 LEU 58 0.672 9.226 6.028 441 HB3 LEU 58 HB3 LEU 58 1.821 8.647 4.835 442 HG LEU 58 HG LEU 58 0.899 11.509 5.175 443 HD11 LEU 58 HD11 LEU 58 2.413 10.768 6.938 444 HD12 LEU 58 HD12 LEU 58 3.200 11.932 5.873 445 HD13 LEU 58 HD13 LEU 58 3.569 10.212 5.727 446 HD21 LEU 58 HD21 LEU 58 2.572 12.061 3.475 447 HD22 LEU 58 HD22 LEU 58 1.330 10.993 2.822 448 HD23 LEU 58 HD23 LEU 58 2.914 10.346 3.245 449 H ILE 59 H ILE 59 -1.542 8.213 5.950 450 HA ILE 59 HA ILE 59 -1.041 5.451 5.764 451 HB ILE 59 HB ILE 59 -3.360 6.898 7.069 452 HG12 ILE 59 HG12 ILE 59 -0.735 5.844 8.170 453 HG13 ILE 59 HG13 ILE 59 -1.167 7.536 7.956 454 HG21 ILE 59 HG21 ILE 59 -3.682 4.842 8.393 455 HG22 ILE 59 HG22 ILE 59 -2.454 4.029 7.420 456 HG23 ILE 59 HG23 ILE 59 -3.960 4.565 6.674 457 HD11 ILE 59 HD11 ILE 59 -2.475 5.597 9.854 458 HD12 ILE 59 HD12 ILE 59 -2.931 7.288 9.634 459 HD13 ILE 59 HD13 ILE 59 -1.339 6.878 10.276 460 H GLU 60 H GLU 60 -3.786 7.365 4.502 461 HA GLU 60 HA GLU 60 -5.340 5.216 3.587 462 HB2 GLU 60 HB2 GLU 60 -6.178 7.542 3.726 463 HB3 GLU 60 HB3 GLU 60 -5.149 7.985 2.371 464 HG2 GLU 60 HG2 GLU 60 -6.377 6.379 0.949 465 HG3 GLU 60 HG3 GLU 60 -7.441 6.023 2.307 466 H THR 61 H THR 61 -2.681 6.952 2.020 467 HA THR 61 HA THR 61 -2.885 5.893 -0.558 468 HB THR 61 HB THR 61 -0.338 6.616 0.922 469 HG1 THR 61 HG1 THR 61 -1.350 8.516 0.839 470 HG21 THR 61 HG21 THR 61 0.110 5.319 -1.109 471 HG22 THR 61 HG22 THR 61 0.601 6.999 -1.321 472 HG23 THR 61 HG23 THR 61 -0.898 6.420 -2.046 473 H THR 62 H THR 62 -0.695 4.735 2.038 474 HA THR 62 HA THR 62 0.170 2.402 0.756 475 HB THR 62 HB THR 62 -0.143 2.827 3.745 476 HG1 THR 62 HG1 THR 62 2.224 3.306 3.416 477 HG21 THR 62 HG21 THR 62 0.232 0.474 3.184 478 HG22 THR 62 HG22 THR 62 1.667 1.167 3.944 479 HG23 THR 62 HG23 THR 62 1.627 0.918 2.198 480 H ASN 63 H ASN 63 -2.489 2.828 3.088 481 HA ASN 63 HA ASN 63 -3.330 0.156 3.224 482 HB2 ASN 63 HB2 ASN 63 -4.040 1.946 4.788 483 HB3 ASN 63 HB3 ASN 63 -5.012 2.662 3.508 484 HD21 ASN 63 HD21 ASN 63 -6.907 2.418 4.681 485 HD22 ASN 63 HD22 ASN 63 -7.652 0.877 4.915 486 H ARG 64 H ARG 64 -4.268 2.750 1.014 487 HA ARG 64 HA ARG 64 -6.334 1.477 -0.390 488 HB2 ARG 64 HB2 ARG 64 -5.820 3.879 -0.533 489 HB3 ARG 64 HB3 ARG 64 -4.314 3.517 -1.361 490 HG2 ARG 64 HG2 ARG 64 -5.556 2.640 -3.270 491 HG3 ARG 64 HG3 ARG 64 -7.079 2.946 -2.426 492 HD2 ARG 64 HD2 ARG 64 -6.528 5.349 -2.345 493 HD3 ARG 64 HD3 ARG 64 -5.042 5.027 -3.235 494 HE ARG 64 HE ARG 64 -6.781 4.081 -4.963 495 HH11 ARG 64 HH11 ARG 64 -7.066 6.910 -3.023 496 HH12 ARG 64 HH12 ARG 64 -7.971 7.774 -4.217 497 HH21 ARG 64 HH21 ARG 64 -7.947 5.192 -6.486 498 HH22 ARG 64 HH22 ARG 64 -8.490 6.801 -6.146 499 H ALA 65 H ALA 65 -2.844 1.627 -1.111 500 HA ALA 65 HA ALA 65 -2.851 0.064 -3.435 501 HB1 ALA 65 HB1 ALA 65 -0.462 -0.226 -3.061 502 HB2 ALA 65 HB2 ALA 65 -0.644 0.313 -1.388 503 HB3 ALA 65 HB3 ALA 65 -0.946 1.436 -2.715 504 H ILE 66 H ILE 66 -2.451 -0.913 -0.038 505 HA ILE 66 HA ILE 66 -1.932 -3.634 -0.398 506 HB ILE 66 HB ILE 66 -3.441 -2.268 1.846 507 HG12 ILE 66 HG12 ILE 66 -0.540 -3.136 1.643 508 HG13 ILE 66 HG13 ILE 66 -1.120 -1.479 1.513 509 HG21 ILE 66 HG21 ILE 66 -3.970 -4.647 1.840 510 HG22 ILE 66 HG22 ILE 66 -2.921 -4.256 3.203 511 HG23 ILE 66 HG23 ILE 66 -2.253 -5.050 1.776 512 HD11 ILE 66 HD11 ILE 66 -1.910 -1.566 3.816 513 HD12 ILE 66 HD12 ILE 66 -0.187 -1.928 3.709 514 HD13 ILE 66 HD13 ILE 66 -1.349 -3.234 3.950 515 H SER 67 H SER 67 -5.115 -2.154 0.328 516 HA SER 67 HA SER 67 -6.597 -4.528 0.101 517 HB2 SER 67 HB2 SER 67 -7.460 -1.643 -0.182 518 HB3 SER 67 HB3 SER 67 -8.592 -2.995 -0.156 519 HG SER 67 HG SER 67 -8.116 -3.383 1.923 520 H LEU 68 H LEU 68 -6.092 -1.957 -2.343 521 HA LEU 68 HA LEU 68 -7.839 -3.117 -4.250 522 HB2 LEU 68 HB2 LEU 68 -5.591 -1.139 -4.631 523 HB3 LEU 68 HB3 LEU 68 -6.769 -1.553 -5.863 524 HG LEU 68 HG LEU 68 -7.350 -0.193 -3.223 525 HD11 LEU 68 HD11 LEU 68 -7.467 0.831 -6.060 526 HD12 LEU 68 HD12 LEU 68 -6.273 1.271 -4.838 527 HD13 LEU 68 HD13 LEU 68 -7.964 1.723 -4.620 528 HD21 LEU 68 HD21 LEU 68 -9.202 -1.655 -3.820 529 HD22 LEU 68 HD22 LEU 68 -9.239 -0.978 -5.449 530 HD23 LEU 68 HD23 LEU 68 -9.658 0.030 -4.065 531 H TYR 69 H TYR 69 -4.297 -3.346 -3.874 532 HA TYR 69 HA TYR 69 -3.814 -4.734 -6.282 533 HB2 TYR 69 HB2 TYR 69 -2.055 -3.623 -4.909 534 HB3 TYR 69 HB3 TYR 69 -2.217 -4.904 -3.712 535 HD1 TYR 69 HD1 TYR 69 -1.273 -4.234 -7.242 536 HD2 TYR 69 HD2 TYR 69 -1.037 -6.953 -3.972 537 HE1 TYR 69 HE1 TYR 69 0.380 -5.566 -8.482 538 HE2 TYR 69 HE2 TYR 69 0.617 -8.292 -5.205 539 HH TYR 69 HH TYR 69 1.331 -8.699 -7.489 540 H MET 70 H MET 70 -4.566 -5.915 -3.013 541 HA MET 70 HA MET 70 -4.310 -8.687 -3.779 542 HB2 MET 70 HB2 MET 70 -5.436 -7.406 -1.282 543 HB3 MET 70 HB3 MET 70 -5.250 -9.141 -1.505 544 HG2 MET 70 HG2 MET 70 -2.818 -8.805 -1.812 545 HG3 MET 70 HG3 MET 70 -3.042 -7.089 -1.485 546 HE1 MET 70 HE1 MET 70 -3.929 -10.368 1.651 547 HE2 MET 70 HE2 MET 70 -3.407 -10.726 0.004 548 HE3 MET 70 HE3 MET 70 -4.993 -10.010 0.292 549 H ALA 71 H ALA 71 -6.961 -6.386 -3.544 550 HA ALA 71 HA ALA 71 -9.064 -8.284 -3.913 551 HB1 ALA 71 HB1 ALA 71 -10.462 -6.349 -4.436 552 HB2 ALA 71 HB2 ALA 71 -9.025 -5.331 -4.551 553 HB3 ALA 71 HB3 ALA 71 -9.477 -6.046 -3.004 554 H ASN 72 H ASN 72 -7.024 -6.415 -6.093 555 HA ASN 72 HA ASN 72 -8.326 -6.892 -8.524 556 HB2 ASN 72 HB2 ASN 72 -6.424 -5.303 -8.169 557 HB3 ASN 72 HB3 ASN 72 -5.334 -6.681 -8.069 558 HD21 ASN 72 HD21 ASN 72 -7.296 -4.736 -10.147 559 HD22 ASN 72 HD22 ASN 72 -6.673 -5.341 -11.637 560 H LEU 73 H LEU 73 -5.884 -8.818 -6.820 561 HA LEU 73 HA LEU 73 -5.451 -10.837 -8.679 562 HB2 LEU 73 HB2 LEU 73 -4.290 -10.398 -6.445 563 HB3 LEU 73 HB3 LEU 73 -5.608 -11.268 -5.691 564 HG LEU 73 HG LEU 73 -3.519 -12.600 -6.010 565 HD11 LEU 73 HD11 LEU 73 -5.687 -13.714 -5.751 566 HD12 LEU 73 HD12 LEU 73 -4.585 -14.627 -6.778 567 HD13 LEU 73 HD13 LEU 73 -5.897 -13.702 -7.504 568 HD21 LEU 73 HD21 LEU 73 -2.812 -11.665 -8.145 569 HD22 LEU 73 HD22 LEU 73 -4.197 -12.407 -8.946 570 HD23 LEU 73 HD23 LEU 73 -2.941 -13.419 -8.234 571 H GLU 74 H GLU 74 -7.904 -10.717 -6.100 572 HA GLU 74 HA GLU 74 -9.088 -13.201 -6.470 573 HB2 GLU 74 HB2 GLU 74 -10.389 -10.612 -5.597 574 HB3 GLU 74 HB3 GLU 74 -11.085 -12.212 -5.379 575 HG2 GLU 74 HG2 GLU 74 -8.466 -11.313 -4.183 576 HG3 GLU 74 HG3 GLU 74 -10.015 -11.271 -3.345 577 H HIS 75 H HIS 75 -10.075 -10.093 -7.947 578 HA HIS 75 HA HIS 75 -12.175 -11.261 -9.505 579 HB2 HIS 75 HB2 HIS 75 -10.802 -8.569 -9.695 580 HB3 HIS 75 HB3 HIS 75 -12.172 -9.035 -10.698 581 HD1 HIS 75 HD1 HIS 75 -14.499 -9.008 -9.611 582 HD2 HIS 75 HD2 HIS 75 -11.423 -8.095 -6.966 583 HE1 HIS 75 HE1 HIS 75 -15.619 -8.107 -7.562 584 HE2 HIS 75 HE2 HIS 75 -13.743 -7.420 -6.042 585 H HIS 76 H HIS 76 -8.825 -10.348 -10.210 586 HA HIS 76 HA HIS 76 -8.856 -10.803 -12.988 587 HB2 HIS 76 HB2 HIS 76 -7.059 -9.580 -11.807 588 HB3 HIS 76 HB3 HIS 76 -6.538 -11.079 -11.051 589 HD1 HIS 76 HD1 HIS 76 -5.111 -12.680 -12.462 590 HD2 HIS 76 HD2 HIS 76 -6.409 -9.329 -14.556 591 HE1 HIS 76 HE1 HIS 76 -3.768 -12.645 -14.583 592 HE2 HIS 76 HE2 HIS 76 -4.504 -10.566 -15.792 593 H HIS 77 H HIS 77 -8.865 -12.980 -10.333 594 HA HIS 77 HA HIS 77 -7.763 -15.293 -11.506 595 HB2 HIS 77 HB2 HIS 77 -8.248 -14.942 -9.064 596 HB3 HIS 77 HB3 HIS 77 -9.960 -15.148 -9.416 597 HD1 HIS 77 HD1 HIS 77 -6.839 -17.020 -8.803 598 HD2 HIS 77 HD2 HIS 77 -10.686 -17.830 -10.143 599 HE1 HIS 77 HE1 HIS 77 -7.089 -19.514 -8.666 600 HE2 HIS 77 HE2 HIS 77 -9.461 -19.965 -9.362 601 H HIS 78 H HIS 78 -10.713 -13.652 -12.127 602 HA HIS 78 HA HIS 78 -11.879 -16.010 -13.450 603 HB2 HIS 78 HB2 HIS 78 -13.018 -13.644 -12.136 604 HB3 HIS 78 HB3 HIS 78 -13.766 -14.000 -13.686 605 HD1 HIS 78 HD1 HIS 78 -15.003 -16.312 -13.902 606 HD2 HIS 78 HD2 HIS 78 -13.651 -15.387 -10.077 607 HE1 HIS 78 HE1 HIS 78 -16.203 -17.884 -12.365 608 HE2 HIS 78 HE2 HIS 78 -15.426 -17.268 -10.055 609 H HIS 79 H HIS 79 -11.624 -16.239 -15.561 610 HA HIS 79 HA HIS 79 -11.461 -13.849 -17.292 611 HB2 HIS 79 HB2 HIS 79 -11.131 -16.761 -18.079 612 HB3 HIS 79 HB3 HIS 79 -10.788 -15.355 -19.079 613 HD1 HIS 79 HD1 HIS 79 -9.067 -17.814 -17.274 614 HD2 HIS 79 HD2 HIS 79 -8.653 -13.691 -17.593 615 HE1 HIS 79 HE1 HIS 79 -6.713 -17.319 -16.570 616 HE2 HIS 79 HE2 HIS 79 -6.435 -14.845 -16.926 617 H HIS 80 H HIS 80 -13.033 -17.024 -17.209 618 HA HIS 80 HA HIS 80 -15.658 -15.784 -17.481 619 HB2 HIS 80 HB2 HIS 80 -14.506 -17.752 -19.451 620 HB3 HIS 80 HB3 HIS 80 -16.235 -17.754 -19.123 621 HD1 HIS 80 HD1 HIS 80 -17.626 -15.858 -20.093 622 HD2 HIS 80 HD2 HIS 80 -13.554 -15.437 -20.808 623 HE1 HIS 80 HE1 HIS 80 -17.426 -14.008 -21.773 624 HE2 HIS 80 HE2 HIS 80 -14.956 -13.670 -22.072 Start of MODEL 10 1 H1 MET 1 H1 MET 1 14.398 -4.696 -6.283 2 H2 MET 1 H2 MET 1 14.019 -5.442 -4.816 3 H3 MET 1 H3 MET 1 14.867 -6.296 -6.007 4 HA MET 1 HA MET 1 16.762 -4.881 -5.781 5 HB2 MET 1 HB2 MET 1 15.533 -2.813 -5.265 6 HB3 MET 1 HB3 MET 1 15.114 -3.450 -3.680 7 HG2 MET 1 HG2 MET 1 17.500 -3.500 -3.084 8 HG3 MET 1 HG3 MET 1 17.897 -2.823 -4.662 9 HE1 MET 1 HE1 MET 1 17.140 -0.390 -5.454 10 HE2 MET 1 HE2 MET 1 16.223 0.726 -4.443 11 HE3 MET 1 HE3 MET 1 15.460 -0.743 -5.051 12 H ALA 2 H ALA 2 18.206 -6.200 -4.860 13 HA ALA 2 HA ALA 2 19.214 -7.676 -3.442 14 HB1 ALA 2 HB1 ALA 2 19.243 -7.066 -1.085 15 HB2 ALA 2 HB2 ALA 2 17.844 -6.018 -1.323 16 HB3 ALA 2 HB3 ALA 2 19.379 -5.630 -2.100 17 H GLY 3 H GLY 3 16.430 -8.325 -4.352 18 HA2 GLY 3 HA2 GLY 3 15.484 -10.541 -3.940 19 HA3 GLY 3 HA3 GLY 3 15.718 -10.259 -2.223 20 H ASP 4 H ASP 4 14.684 -7.632 -2.058 21 HA ASP 4 HA ASP 4 11.906 -8.240 -1.815 22 HB2 ASP 4 HB2 ASP 4 13.327 -6.675 -0.351 23 HB3 ASP 4 HB3 ASP 4 13.115 -5.475 -1.620 24 HA PRO 5 HA PRO 5 10.879 -7.053 -6.066 25 HB2 PRO 5 HB2 PRO 5 8.105 -7.548 -5.180 26 HB3 PRO 5 HB3 PRO 5 9.031 -8.330 -6.465 27 HG2 PRO 5 HG2 PRO 5 8.439 -9.616 -4.185 28 HG3 PRO 5 HG3 PRO 5 9.978 -9.877 -5.029 29 HD2 PRO 5 HD2 PRO 5 9.405 -8.180 -2.614 30 HD3 PRO 5 HD3 PRO 5 10.766 -9.287 -2.916 31 H MET 6 H MET 6 9.751 -5.636 -3.130 32 HA MET 6 HA MET 6 8.811 -3.653 -2.559 33 HB2 MET 6 HB2 MET 6 10.088 -2.753 -5.156 34 HB3 MET 6 HB3 MET 6 9.517 -1.686 -3.882 35 HG2 MET 6 HG2 MET 6 11.156 -2.729 -2.337 36 HG3 MET 6 HG3 MET 6 11.778 -3.668 -3.692 37 HE1 MET 6 HE1 MET 6 11.403 -1.374 -6.020 38 HE2 MET 6 HE2 MET 6 12.778 -2.476 -5.929 39 HE3 MET 6 HE3 MET 6 13.046 -0.739 -6.052 40 H THR 7 H THR 7 6.870 -5.179 -3.401 41 HA THR 7 HA THR 7 5.444 -4.634 -5.722 42 HB THR 7 HB THR 7 3.440 -5.508 -4.557 43 HG1 THR 7 HG1 THR 7 4.210 -6.261 -2.238 44 HG21 THR 7 HG21 THR 7 5.978 -7.027 -3.917 45 HG22 THR 7 HG22 THR 7 5.089 -7.093 -5.442 46 HG23 THR 7 HG23 THR 7 4.352 -7.711 -3.963 47 H PHE 8 H PHE 8 4.749 -3.265 -2.492 48 HA PHE 8 HA PHE 8 2.801 -1.428 -3.350 49 HB2 PHE 8 HB2 PHE 8 3.108 -2.146 -1.000 50 HB3 PHE 8 HB3 PHE 8 4.602 -1.219 -0.924 51 HD1 PHE 8 HD1 PHE 8 0.929 -0.946 -1.323 52 HD2 PHE 8 HD2 PHE 8 4.569 1.121 -0.501 53 HE1 PHE 8 HE1 PHE 8 -0.348 1.044 -0.649 54 HE2 PHE 8 HE2 PHE 8 3.288 3.109 0.174 55 HZ PHE 8 HZ PHE 8 0.826 3.071 0.102 56 H TYR 9 H TYR 9 6.310 -1.066 -3.041 57 HA TYR 9 HA TYR 9 6.448 1.731 -3.354 58 HB2 TYR 9 HB2 TYR 9 8.307 0.267 -2.547 59 HB3 TYR 9 HB3 TYR 9 8.524 -0.313 -4.193 60 HD1 TYR 9 HD1 TYR 9 8.844 2.633 -1.978 61 HD2 TYR 9 HD2 TYR 9 9.717 1.006 -5.820 62 HE1 TYR 9 HE1 TYR 9 10.398 4.488 -2.405 63 HE2 TYR 9 HE2 TYR 9 11.274 2.861 -6.253 64 HH TYR 9 HH TYR 9 12.471 4.855 -3.896 65 H ASN 10 H ASN 10 6.968 -0.834 -5.796 66 HA ASN 10 HA ASN 10 7.246 0.803 -8.039 67 HB2 ASN 10 HB2 ASN 10 7.763 -1.616 -8.007 68 HB3 ASN 10 HB3 ASN 10 6.044 -1.980 -7.903 69 HD21 ASN 10 HD21 ASN 10 6.104 -3.161 -9.815 70 HD22 ASN 10 HD22 ASN 10 6.235 -2.398 -11.358 71 H PHE 11 H PHE 11 4.362 -0.200 -6.341 72 HA PHE 11 HA PHE 11 2.506 0.565 -8.393 73 HB2 PHE 11 HB2 PHE 11 1.920 -1.147 -6.764 74 HB3 PHE 11 HB3 PHE 11 2.110 0.002 -5.445 75 HD1 PHE 11 HD1 PHE 11 0.099 -0.681 -8.497 76 HD2 PHE 11 HD2 PHE 11 0.287 1.276 -4.717 77 HE1 PHE 11 HE1 PHE 11 -2.283 -0.088 -8.685 78 HE2 PHE 11 HE2 PHE 11 -2.093 1.869 -4.901 79 HZ PHE 11 HZ PHE 11 -3.379 1.188 -6.889 80 H ILE 12 H ILE 12 3.444 2.024 -5.262 81 HA ILE 12 HA ILE 12 1.667 4.218 -5.496 82 HB ILE 12 HB ILE 12 2.557 3.373 -3.335 83 HG12 ILE 12 HG12 ILE 12 2.837 5.597 -2.267 84 HG13 ILE 12 HG13 ILE 12 3.044 6.323 -3.859 85 HG21 ILE 12 HG21 ILE 12 4.880 3.028 -3.960 86 HG22 ILE 12 HG22 ILE 12 4.770 4.100 -2.564 87 HG23 ILE 12 HG23 ILE 12 5.102 4.767 -4.162 88 HD11 ILE 12 HD11 ILE 12 0.571 4.923 -2.868 89 HD12 ILE 12 HD12 ILE 12 0.774 5.678 -4.449 90 HD13 ILE 12 HD13 ILE 12 0.801 6.668 -2.990 91 H MET 13 H MET 13 4.919 3.739 -6.703 92 HA MET 13 HA MET 13 5.773 6.371 -7.059 93 HB2 MET 13 HB2 MET 13 6.249 3.948 -8.802 94 HB3 MET 13 HB3 MET 13 7.063 5.486 -9.043 95 HG2 MET 13 HG2 MET 13 8.010 5.310 -6.773 96 HG3 MET 13 HG3 MET 13 7.249 3.729 -6.605 97 HE1 MET 13 HE1 MET 13 8.999 5.387 -9.733 98 HE2 MET 13 HE2 MET 13 10.622 4.709 -9.603 99 HE3 MET 13 HE3 MET 13 10.037 5.837 -8.378 100 H GLY 14 H GLY 14 3.334 4.596 -8.829 101 HA2 GLY 14 HA2 GLY 14 3.154 6.231 -11.128 102 HA3 GLY 14 HA3 GLY 14 1.865 5.231 -10.479 103 H PHE 15 H PHE 15 1.914 6.667 -7.877 104 HA PHE 15 HA PHE 15 0.123 8.817 -8.613 105 HB2 PHE 15 HB2 PHE 15 1.027 7.800 -5.907 106 HB3 PHE 15 HB3 PHE 15 -0.189 9.052 -6.144 107 HD1 PHE 15 HD1 PHE 15 0.565 5.469 -6.595 108 HD2 PHE 15 HD2 PHE 15 -2.422 8.504 -6.818 109 HE1 PHE 15 HE1 PHE 15 -1.174 3.744 -6.789 110 HE2 PHE 15 HE2 PHE 15 -4.162 6.777 -7.010 111 HZ PHE 15 HZ PHE 15 -3.543 4.393 -6.993 112 H GLN 16 H GLN 16 3.442 8.536 -7.583 113 HA GLN 16 HA GLN 16 3.650 11.400 -7.046 114 HB2 GLN 16 HB2 GLN 16 4.820 9.811 -5.560 115 HB3 GLN 16 HB3 GLN 16 5.779 9.247 -6.919 116 HG2 GLN 16 HG2 GLN 16 6.965 10.834 -5.413 117 HG3 GLN 16 HG3 GLN 16 6.909 11.348 -7.096 118 HE21 GLN 16 HE21 GLN 16 5.648 13.133 -7.653 119 HE22 GLN 16 HE22 GLN 16 5.049 14.241 -6.472 120 H ASN 17 H ASN 17 3.457 9.725 -9.802 121 HA ASN 17 HA ASN 17 5.568 10.723 -11.387 122 HB2 ASN 17 HB2 ASN 17 3.840 8.991 -12.071 123 HB3 ASN 17 HB3 ASN 17 2.714 10.323 -12.320 124 HD21 ASN 17 HD21 ASN 17 5.565 8.733 -13.477 125 HD22 ASN 17 HD22 ASN 17 5.648 9.551 -14.999 126 H ASP 18 H ASP 18 2.506 12.108 -10.348 127 HA ASP 18 HA ASP 18 3.530 14.783 -11.051 128 HB2 ASP 18 HB2 ASP 18 1.159 15.506 -11.292 129 HB3 ASP 18 HB3 ASP 18 1.624 14.288 -12.476 130 H ASN 19 H ASN 19 2.133 16.471 -9.577 131 HA ASN 19 HA ASN 19 2.978 15.768 -6.898 132 HB2 ASN 19 HB2 ASN 19 1.760 18.328 -7.955 133 HB3 ASN 19 HB3 ASN 19 2.421 18.111 -6.335 134 HD21 ASN 19 HD21 ASN 19 3.266 19.969 -8.348 135 HD22 ASN 19 HD22 ASN 19 4.920 19.619 -8.691 136 H THR 20 H THR 20 1.668 14.429 -5.819 137 HA THR 20 HA THR 20 -1.122 15.283 -5.335 138 HB THR 20 HB THR 20 -1.905 12.964 -5.337 139 HG1 THR 20 HG1 THR 20 0.370 11.929 -6.548 140 HG21 THR 20 HG21 THR 20 -2.051 14.165 -7.460 141 HG22 THR 20 HG22 THR 20 -1.729 12.454 -7.736 142 HG23 THR 20 HG23 THR 20 -0.425 13.631 -7.892 143 HA PRO 21 HA PRO 21 -0.269 14.603 -0.968 144 HB2 PRO 21 HB2 PRO 21 -2.658 13.405 -0.209 145 HB3 PRO 21 HB3 PRO 21 -2.407 15.147 -0.352 146 HG2 PRO 21 HG2 PRO 21 -3.636 13.246 -2.314 147 HG3 PRO 21 HG3 PRO 21 -4.148 14.885 -1.869 148 HD2 PRO 21 HD2 PRO 21 -2.825 14.426 -4.150 149 HD3 PRO 21 HD3 PRO 21 -2.511 15.889 -3.193 150 H PHE 22 H PHE 22 -1.636 11.953 -2.876 151 HA PHE 22 HA PHE 22 -0.769 9.821 -1.209 152 HB2 PHE 22 HB2 PHE 22 -1.328 9.834 -4.192 153 HB3 PHE 22 HB3 PHE 22 -1.172 8.393 -3.190 154 HD1 PHE 22 HD1 PHE 22 -3.290 11.314 -3.955 155 HD2 PHE 22 HD2 PHE 22 -2.966 7.665 -1.770 156 HE1 PHE 22 HE1 PHE 22 -5.698 11.398 -3.458 157 HE2 PHE 22 HE2 PHE 22 -5.373 7.750 -1.272 158 HZ PHE 22 HZ PHE 22 -6.741 9.615 -2.114 159 H GLY 23 H GLY 23 0.670 11.501 -3.978 160 HA2 GLY 23 HA2 GLY 23 2.957 9.913 -4.318 161 HA3 GLY 23 HA3 GLY 23 2.820 11.607 -4.759 162 H ILE 24 H ILE 24 2.304 12.500 -2.007 163 HA ILE 24 HA ILE 24 4.846 13.145 -1.137 164 HB ILE 24 HB ILE 24 2.371 12.821 0.584 165 HG12 ILE 24 HG12 ILE 24 2.035 14.376 -1.296 166 HG13 ILE 24 HG13 ILE 24 2.058 15.235 0.239 167 HG21 ILE 24 HG21 ILE 24 3.467 14.422 2.115 168 HG22 ILE 24 HG22 ILE 24 4.928 14.336 1.130 169 HG23 ILE 24 HG23 ILE 24 4.352 12.900 1.978 170 HD11 ILE 24 HD11 ILE 24 4.336 15.076 -1.726 171 HD12 ILE 24 HD12 ILE 24 4.354 15.946 -0.191 172 HD13 ILE 24 HD13 ILE 24 3.262 16.455 -1.480 173 H LEU 25 H LEU 25 2.841 10.391 -0.130 174 HA LEU 25 HA LEU 25 4.601 9.274 1.754 175 HB2 LEU 25 HB2 LEU 25 2.184 8.662 1.325 176 HB3 LEU 25 HB3 LEU 25 2.716 7.767 -0.080 177 HG LEU 25 HG LEU 25 2.224 6.398 1.987 178 HD11 LEU 25 HD11 LEU 25 5.018 6.161 0.871 179 HD12 LEU 25 HD12 LEU 25 3.553 5.481 0.163 180 HD13 LEU 25 HD13 LEU 25 4.128 4.900 1.724 181 HD21 LEU 25 HD21 LEU 25 3.900 6.320 3.752 182 HD22 LEU 25 HD22 LEU 25 3.186 7.928 3.637 183 HD23 LEU 25 HD23 LEU 25 4.795 7.629 2.982 184 H ALA 26 H ALA 26 4.211 8.554 -1.716 185 HA ALA 26 HA ALA 26 6.152 6.575 -1.988 186 HB1 ALA 26 HB1 ALA 26 6.101 7.044 -4.368 187 HB2 ALA 26 HB2 ALA 26 5.360 8.618 -4.074 188 HB3 ALA 26 HB3 ALA 26 4.470 7.141 -3.706 189 H GLU 27 H GLU 27 6.521 10.095 -2.500 190 HA GLU 27 HA GLU 27 9.273 9.900 -3.216 191 HB2 GLU 27 HB2 GLU 27 7.750 11.760 -3.907 192 HB3 GLU 27 HB3 GLU 27 7.786 12.351 -2.250 193 HG2 GLU 27 HG2 GLU 27 10.173 12.743 -2.407 194 HG3 GLU 27 HG3 GLU 27 10.204 12.056 -4.031 195 H HIS 28 H HIS 28 7.590 10.582 -0.159 196 HA HIS 28 HA HIS 28 9.907 11.399 1.261 197 HB2 HIS 28 HB2 HIS 28 7.590 11.898 2.008 198 HB3 HIS 28 HB3 HIS 28 7.380 10.197 2.411 199 HD1 HIS 28 HD1 HIS 28 9.660 13.093 3.378 200 HD2 HIS 28 HD2 HIS 28 8.106 9.575 4.959 201 HE1 HIS 28 HE1 HIS 28 10.409 13.044 5.768 202 HE2 HIS 28 HE2 HIS 28 9.533 10.872 6.681 203 H VAL 29 H VAL 29 8.387 8.191 0.844 204 HA VAL 29 HA VAL 29 10.266 6.871 2.574 205 HB VAL 29 HB VAL 29 9.433 4.757 1.666 206 HG11 VAL 29 HG11 VAL 29 8.146 5.852 3.426 207 HG12 VAL 29 HG12 VAL 29 7.079 4.981 2.326 208 HG13 VAL 29 HG13 VAL 29 7.213 6.737 2.217 209 HG21 VAL 29 HG21 VAL 29 7.864 6.455 -0.287 210 HG22 VAL 29 HG22 VAL 29 7.682 4.715 -0.064 211 HG23 VAL 29 HG23 VAL 29 9.198 5.369 -0.682 212 H SER 30 H SER 30 10.240 7.751 -0.807 213 HA SER 30 HA SER 30 12.571 6.309 -1.588 214 HB2 SER 30 HB2 SER 30 11.094 7.239 -3.284 215 HB3 SER 30 HB3 SER 30 11.366 8.871 -2.680 216 HG SER 30 HG SER 30 13.445 7.216 -3.675 217 H GLU 31 H GLU 31 12.012 9.475 -0.167 218 HA GLU 31 HA GLU 31 14.689 10.399 -0.074 219 HB2 GLU 31 HB2 GLU 31 12.755 11.874 0.181 220 HB3 GLU 31 HB3 GLU 31 12.278 11.038 1.649 221 HG2 GLU 31 HG2 GLU 31 14.463 11.800 2.657 222 HG3 GLU 31 HG3 GLU 31 14.667 12.817 1.230 223 H ASP 32 H ASP 32 12.759 8.395 2.063 224 HA ASP 32 HA ASP 32 14.439 8.483 4.335 225 HB2 ASP 32 HB2 ASP 32 12.068 7.852 4.435 226 HB3 ASP 32 HB3 ASP 32 12.404 6.404 3.492 227 H LYS 33 H LYS 33 15.508 6.556 5.276 228 HA LYS 33 HA LYS 33 17.749 5.732 4.007 229 HB2 LYS 33 HB2 LYS 33 17.798 3.829 5.653 230 HB3 LYS 33 HB3 LYS 33 17.486 5.410 6.361 231 HG2 LYS 33 HG2 LYS 33 15.019 4.829 6.219 232 HG3 LYS 33 HG3 LYS 33 15.532 3.180 5.872 233 HD2 LYS 33 HD2 LYS 33 16.592 2.981 8.004 234 HD3 LYS 33 HD3 LYS 33 16.404 4.708 8.326 235 HE2 LYS 33 HE2 LYS 33 14.193 2.660 8.099 236 HE3 LYS 33 HE3 LYS 33 14.734 3.466 9.570 237 HZ1 LYS 33 HZ1 LYS 33 14.045 5.590 8.559 238 HZ2 LYS 33 HZ2 LYS 33 12.754 4.520 8.768 239 HZ3 LYS 33 HZ3 LYS 33 13.424 4.750 7.232 240 H ALA 34 H ALA 34 14.640 3.998 3.907 241 HA ALA 34 HA ALA 34 13.854 2.300 2.614 242 HB1 ALA 34 HB1 ALA 34 14.707 2.028 0.357 243 HB2 ALA 34 HB2 ALA 34 16.146 2.967 0.763 244 HB3 ALA 34 HB3 ALA 34 14.561 3.741 0.753 245 H PHE 35 H PHE 35 13.964 0.126 2.835 246 HA PHE 35 HA PHE 35 16.495 -1.281 2.834 247 HB2 PHE 35 HB2 PHE 35 16.410 -0.434 5.140 248 HB3 PHE 35 HB3 PHE 35 14.824 -1.162 5.363 249 HD1 PHE 35 HD1 PHE 35 18.365 -2.007 4.590 250 HD2 PHE 35 HD2 PHE 35 14.646 -3.347 6.187 251 HE1 PHE 35 HE1 PHE 35 19.446 -4.073 5.371 252 HE2 PHE 35 HE2 PHE 35 15.726 -5.414 6.971 253 HZ PHE 35 HZ PHE 35 18.127 -5.781 6.561 254 HA PRO 36 HA PRO 36 13.622 -4.362 1.160 255 HB2 PRO 36 HB2 PRO 36 16.029 -6.097 1.387 256 HB3 PRO 36 HB3 PRO 36 15.019 -5.752 -0.021 257 HG2 PRO 36 HG2 PRO 36 17.463 -4.700 0.200 258 HG3 PRO 36 HG3 PRO 36 16.122 -3.763 -0.491 259 HD2 PRO 36 HD2 PRO 36 17.318 -3.618 2.262 260 HD3 PRO 36 HD3 PRO 36 16.803 -2.299 1.189 261 H ARG 37 H ARG 37 12.203 -5.429 2.425 262 HA ARG 37 HA ARG 37 13.180 -6.706 4.913 263 HB2 ARG 37 HB2 ARG 37 10.509 -5.361 4.466 264 HB3 ARG 37 HB3 ARG 37 11.069 -6.081 5.970 265 HG2 ARG 37 HG2 ARG 37 12.763 -4.392 6.214 266 HG3 ARG 37 HG3 ARG 37 12.397 -3.733 4.619 267 HD2 ARG 37 HD2 ARG 37 11.402 -2.357 6.361 268 HD3 ARG 37 HD3 ARG 37 10.146 -3.129 5.392 269 HE ARG 37 HE ARG 37 10.594 -4.789 7.553 270 HH11 ARG 37 HH11 ARG 37 9.512 -1.562 7.048 271 HH12 ARG 37 HH12 ARG 37 8.580 -1.528 8.501 272 HH21 ARG 37 HH21 ARG 37 9.385 -4.756 9.394 273 HH22 ARG 37 HH22 ARG 37 8.493 -3.332 9.812 274 H LEU 38 H LEU 38 10.918 -6.907 2.231 275 HA LEU 38 HA LEU 38 9.645 -8.549 1.349 276 HB2 LEU 38 HB2 LEU 38 11.550 -10.339 2.862 277 HB3 LEU 38 HB3 LEU 38 10.331 -10.937 1.755 278 HG LEU 38 HG LEU 38 11.474 -9.473 -0.026 279 HD11 LEU 38 HD11 LEU 38 13.695 -9.538 2.017 280 HD12 LEU 38 HD12 LEU 38 12.830 -8.104 1.464 281 HD13 LEU 38 HD13 LEU 38 13.847 -9.007 0.342 282 HD21 LEU 38 HD21 LEU 38 12.916 -11.864 1.127 283 HD22 LEU 38 HD22 LEU 38 13.142 -11.213 -0.496 284 HD23 LEU 38 HD23 LEU 38 11.586 -11.899 -0.032 285 H GLU 39 H GLU 39 7.877 -7.696 2.618 286 HA GLU 39 HA GLU 39 7.050 -9.123 4.994 287 HB2 GLU 39 HB2 GLU 39 5.910 -6.871 3.373 288 HB3 GLU 39 HB3 GLU 39 4.876 -7.719 4.512 289 HG2 GLU 39 HG2 GLU 39 5.907 -5.647 5.412 290 HG3 GLU 39 HG3 GLU 39 6.249 -7.095 6.355 291 H GLU 40 H GLU 40 6.491 -9.393 1.581 292 HA GLU 40 HA GLU 40 5.418 -10.943 0.320 293 HB2 GLU 40 HB2 GLU 40 6.377 -12.660 1.678 294 HB3 GLU 40 HB3 GLU 40 5.226 -12.371 2.974 295 HG2 GLU 40 HG2 GLU 40 3.414 -13.212 1.573 296 HG3 GLU 40 HG3 GLU 40 4.551 -13.477 0.252 297 H ARG 41 H ARG 41 3.461 -11.129 3.316 298 HA ARG 41 HA ARG 41 1.030 -11.289 1.850 299 HB2 ARG 41 HB2 ARG 41 1.497 -10.764 4.793 300 HB3 ARG 41 HB3 ARG 41 -0.060 -11.151 4.072 301 HG2 ARG 41 HG2 ARG 41 2.371 -12.941 4.095 302 HG3 ARG 41 HG3 ARG 41 0.941 -13.114 5.115 303 HD2 ARG 41 HD2 ARG 41 -0.442 -13.511 3.157 304 HD3 ARG 41 HD3 ARG 41 0.940 -13.241 2.095 305 HE ARG 41 HE ARG 41 1.492 -15.324 3.925 306 HH11 ARG 41 HH11 ARG 41 -0.338 -14.653 1.084 307 HH12 ARG 41 HH12 ARG 41 -0.297 -16.297 0.545 308 HH21 ARG 41 HH21 ARG 41 1.541 -17.425 3.212 309 HH22 ARG 41 HH22 ARG 41 0.729 -17.848 1.742 310 H HIS 42 H HIS 42 -0.032 -9.706 0.887 311 HA HIS 42 HA HIS 42 0.645 -7.001 0.961 312 HB2 HIS 42 HB2 HIS 42 -2.025 -8.200 0.184 313 HB3 HIS 42 HB3 HIS 42 -1.447 -6.602 -0.268 314 HD1 HIS 42 HD1 HIS 42 -1.941 -9.661 -1.794 315 HD2 HIS 42 HD2 HIS 42 1.345 -7.122 -1.630 316 HE1 HIS 42 HE1 HIS 42 -0.538 -10.251 -3.784 317 HE2 HIS 42 HE2 HIS 42 1.504 -8.801 -3.592 318 H GLN 43 H GLN 43 -1.543 -8.754 3.040 319 HA GLN 43 HA GLN 43 -3.185 -6.581 3.823 320 HB2 GLN 43 HB2 GLN 43 -3.851 -8.945 4.021 321 HB3 GLN 43 HB3 GLN 43 -2.638 -9.180 5.271 322 HG2 GLN 43 HG2 GLN 43 -3.803 -7.695 6.762 323 HG3 GLN 43 HG3 GLN 43 -4.952 -7.259 5.497 324 HE21 GLN 43 HE21 GLN 43 -6.547 -8.738 4.910 325 HE22 GLN 43 HE22 GLN 43 -6.946 -10.095 5.900 326 H VAL 44 H VAL 44 -0.350 -8.058 5.418 327 HA VAL 44 HA VAL 44 -0.603 -6.638 7.842 328 HB VAL 44 HB VAL 44 1.659 -7.373 8.365 329 HG11 VAL 44 HG11 VAL 44 1.323 -9.792 8.134 330 HG12 VAL 44 HG12 VAL 44 0.065 -9.505 6.931 331 HG13 VAL 44 HG13 VAL 44 -0.171 -8.976 8.598 332 HG21 VAL 44 HG21 VAL 44 1.813 -8.283 5.484 333 HG22 VAL 44 HG22 VAL 44 3.015 -8.606 6.732 334 HG23 VAL 44 HG23 VAL 44 2.721 -6.950 6.198 335 H ILE 45 H ILE 45 0.575 -5.561 4.809 336 HA ILE 45 HA ILE 45 2.614 -3.779 5.489 337 HB ILE 45 HB ILE 45 0.564 -3.480 3.277 338 HG12 ILE 45 HG12 ILE 45 3.324 -4.749 3.257 339 HG13 ILE 45 HG13 ILE 45 1.798 -5.626 3.208 340 HG21 ILE 45 HG21 ILE 45 2.266 -2.090 2.159 341 HG22 ILE 45 HG22 ILE 45 3.287 -2.198 3.592 342 HG23 ILE 45 HG23 ILE 45 1.728 -1.377 3.680 343 HD11 ILE 45 HD11 ILE 45 1.281 -4.579 1.053 344 HD12 ILE 45 HD12 ILE 45 2.784 -5.500 1.008 345 HD13 ILE 45 HD13 ILE 45 2.833 -3.740 1.099 346 H ARG 46 H ARG 46 -0.896 -3.282 5.573 347 HA ARG 46 HA ARG 46 -0.896 -0.484 5.869 348 HB2 ARG 46 HB2 ARG 46 -2.889 -1.814 5.282 349 HB3 ARG 46 HB3 ARG 46 -2.931 -2.463 6.915 350 HG2 ARG 46 HG2 ARG 46 -3.283 -0.177 7.788 351 HG3 ARG 46 HG3 ARG 46 -3.311 0.430 6.132 352 HD2 ARG 46 HD2 ARG 46 -5.578 0.152 6.928 353 HD3 ARG 46 HD3 ARG 46 -5.251 -1.031 5.662 354 HE ARG 46 HE ARG 46 -4.788 -2.042 8.306 355 HH11 ARG 46 HH11 ARG 46 -7.171 -1.503 5.885 356 HH12 ARG 46 HH12 ARG 46 -8.217 -2.739 6.483 357 HH21 ARG 46 HH21 ARG 46 -6.160 -3.601 9.096 358 HH22 ARG 46 HH22 ARG 46 -7.665 -3.888 8.296 359 H ALA 47 H ALA 47 -0.491 -3.025 8.268 360 HA ALA 47 HA ALA 47 -0.984 -1.530 10.596 361 HB1 ALA 47 HB1 ALA 47 -0.832 -3.980 10.564 362 HB2 ALA 47 HB2 ALA 47 0.235 -3.275 11.780 363 HB3 ALA 47 HB3 ALA 47 0.902 -3.867 10.259 364 H TYR 48 H TYR 48 1.982 -1.975 8.716 365 HA TYR 48 HA TYR 48 3.782 -0.837 10.552 366 HB2 TYR 48 HB2 TYR 48 3.970 -0.967 7.532 367 HB3 TYR 48 HB3 TYR 48 5.310 -0.596 8.612 368 HD1 TYR 48 HD1 TYR 48 5.989 -2.387 10.322 369 HD2 TYR 48 HD2 TYR 48 3.459 -3.203 6.996 370 HE1 TYR 48 HE1 TYR 48 6.492 -4.784 10.531 371 HE2 TYR 48 HE2 TYR 48 3.956 -5.601 7.198 372 HH TYR 48 HH TYR 48 5.770 -7.036 8.123 373 H VAL 49 H VAL 49 2.114 0.690 7.773 374 HA VAL 49 HA VAL 49 3.346 3.202 8.042 375 HB VAL 49 HB VAL 49 1.563 4.114 6.637 376 HG11 VAL 49 HG11 VAL 49 3.387 2.897 5.577 377 HG12 VAL 49 HG12 VAL 49 1.883 2.656 4.686 378 HG13 VAL 49 HG13 VAL 49 2.497 1.381 5.742 379 HG21 VAL 49 HG21 VAL 49 -0.362 2.970 7.613 380 HG22 VAL 49 HG22 VAL 49 0.214 1.427 6.978 381 HG23 VAL 49 HG23 VAL 49 -0.299 2.702 5.872 382 H MET 50 H MET 50 0.360 1.958 9.517 383 HA MET 50 HA MET 50 -0.421 4.434 10.699 384 HB2 MET 50 HB2 MET 50 -1.150 1.581 11.393 385 HB3 MET 50 HB3 MET 50 -1.872 2.989 12.162 386 HG2 MET 50 HG2 MET 50 -2.671 3.742 9.949 387 HG3 MET 50 HG3 MET 50 -2.031 2.258 9.245 388 HE1 MET 50 HE1 MET 50 -4.253 -0.492 10.892 389 HE2 MET 50 HE2 MET 50 -2.665 0.065 11.418 390 HE3 MET 50 HE3 MET 50 -3.000 -0.149 9.700 391 H SER 51 H SER 51 1.646 1.787 11.755 392 HA SER 51 HA SER 51 1.905 2.657 14.462 393 HB2 SER 51 HB2 SER 51 2.386 0.348 13.873 394 HB3 SER 51 HB3 SER 51 3.681 0.858 12.792 395 HG SER 51 HG SER 51 4.963 0.895 14.444 396 H ASN 52 H ASN 52 3.355 3.711 11.516 397 HA ASN 52 HA ASN 52 5.611 4.979 12.907 398 HB2 ASN 52 HB2 ASN 52 5.047 4.666 9.948 399 HB3 ASN 52 HB3 ASN 52 6.484 5.430 10.625 400 HD21 ASN 52 HD21 ASN 52 6.256 3.081 8.920 401 HD22 ASN 52 HD22 ASN 52 7.002 1.786 9.783 402 H TYR 53 H TYR 53 3.183 5.969 10.445 403 HA TYR 53 HA TYR 53 3.733 8.773 11.161 404 HB2 TYR 53 HB2 TYR 53 2.428 7.612 8.686 405 HB3 TYR 53 HB3 TYR 53 2.674 9.332 8.984 406 HD1 TYR 53 HD1 TYR 53 5.092 10.137 9.326 407 HD2 TYR 53 HD2 TYR 53 4.109 6.344 7.651 408 HE1 TYR 53 HE1 TYR 53 7.332 10.002 8.328 409 HE2 TYR 53 HE2 TYR 53 6.351 6.204 6.649 410 HH TYR 53 HH TYR 53 8.893 8.199 7.544 411 H THR 54 H THR 54 2.177 10.183 11.802 412 HA THR 54 HA THR 54 -0.472 9.097 12.475 413 HB THR 54 HB THR 54 -0.773 11.071 13.882 414 HG1 THR 54 HG1 THR 54 0.280 12.791 13.227 415 HG21 THR 54 HG21 THR 54 0.407 9.180 14.885 416 HG22 THR 54 HG22 THR 54 1.039 10.702 15.513 417 HG23 THR 54 HG23 THR 54 1.947 9.806 14.293 418 H ASP 55 H ASP 55 0.988 10.862 10.025 419 HA ASP 55 HA ASP 55 -0.956 12.803 9.407 420 HB2 ASP 55 HB2 ASP 55 0.995 11.357 7.600 421 HB3 ASP 55 HB3 ASP 55 0.058 12.775 7.133 422 H HIS 56 H HIS 56 -2.994 12.492 8.903 423 HA HIS 56 HA HIS 56 -4.197 10.009 8.579 424 HB2 HIS 56 HB2 HIS 56 -5.325 12.661 7.654 425 HB3 HIS 56 HB3 HIS 56 -6.240 11.213 8.063 426 HD1 HIS 56 HD1 HIS 56 -5.902 10.435 10.695 427 HD2 HIS 56 HD2 HIS 56 -5.052 14.393 9.739 428 HE1 HIS 56 HE1 HIS 56 -5.932 11.677 12.871 429 HE2 HIS 56 HE2 HIS 56 -5.280 14.033 12.290 430 H GLN 57 H GLN 57 -3.312 12.363 6.044 431 HA GLN 57 HA GLN 57 -4.431 10.915 3.888 432 HB2 GLN 57 HB2 GLN 57 -2.269 13.015 4.007 433 HB3 GLN 57 HB3 GLN 57 -2.774 12.287 2.488 434 HG2 GLN 57 HG2 GLN 57 -4.636 13.723 4.377 435 HG3 GLN 57 HG3 GLN 57 -3.842 14.480 2.996 436 HE21 GLN 57 HE21 GLN 57 -5.826 14.956 2.022 437 HE22 GLN 57 HE22 GLN 57 -6.794 13.737 1.275 438 H LEU 58 H LEU 58 -1.080 10.957 5.163 439 HA LEU 58 HA LEU 58 0.030 9.173 3.302 440 HB2 LEU 58 HB2 LEU 58 0.774 9.543 6.214 441 HB3 LEU 58 HB3 LEU 58 1.754 8.705 5.024 442 HG LEU 58 HG LEU 58 1.076 11.652 5.048 443 HD11 LEU 58 HD11 LEU 58 2.780 11.030 6.665 444 HD12 LEU 58 HD12 LEU 58 3.498 11.936 5.334 445 HD13 LEU 58 HD13 LEU 58 3.691 10.184 5.413 446 HD21 LEU 58 HD21 LEU 58 2.510 11.836 3.069 447 HD22 LEU 58 HD22 LEU 58 1.101 10.826 2.753 448 HD23 LEU 58 HD23 LEU 58 2.676 10.080 3.024 449 H ILE 59 H ILE 59 -1.679 8.542 6.336 450 HA ILE 59 HA ILE 59 -1.394 5.725 6.328 451 HB ILE 59 HB ILE 59 -3.533 7.469 7.568 452 HG12 ILE 59 HG12 ILE 59 -1.067 6.152 8.755 453 HG13 ILE 59 HG13 ILE 59 -1.242 7.867 8.402 454 HG21 ILE 59 HG21 ILE 59 -2.962 4.535 8.027 455 HG22 ILE 59 HG22 ILE 59 -4.411 5.224 7.295 456 HG23 ILE 59 HG23 ILE 59 -4.056 5.523 8.995 457 HD11 ILE 59 HD11 ILE 59 -2.827 6.298 10.426 458 HD12 ILE 59 HD12 ILE 59 -3.037 8.011 10.061 459 HD13 ILE 59 HD13 ILE 59 -1.524 7.438 10.762 460 H GLU 60 H GLU 60 -4.091 7.795 5.203 461 HA GLU 60 HA GLU 60 -5.742 5.716 4.276 462 HB2 GLU 60 HB2 GLU 60 -5.573 8.629 3.503 463 HB3 GLU 60 HB3 GLU 60 -6.790 7.545 2.844 464 HG2 GLU 60 HG2 GLU 60 -6.412 8.184 5.768 465 HG3 GLU 60 HG3 GLU 60 -7.653 8.865 4.718 466 H THR 61 H THR 61 -3.112 7.443 2.681 467 HA THR 61 HA THR 61 -3.431 6.649 0.048 468 HB THR 61 HB THR 61 -0.860 6.944 1.631 469 HG1 THR 61 HG1 THR 61 -1.886 8.906 1.453 470 HG21 THR 61 HG21 THR 61 -0.456 5.554 -0.352 471 HG22 THR 61 HG22 THR 61 0.289 7.143 -0.523 472 HG23 THR 61 HG23 THR 61 -1.216 6.781 -1.368 473 H THR 62 H THR 62 -1.657 4.896 2.600 474 HA THR 62 HA THR 62 -1.224 2.554 1.007 475 HB THR 62 HB THR 62 -1.045 2.884 4.018 476 HG1 THR 62 HG1 THR 62 0.541 4.154 3.254 477 HG21 THR 62 HG21 THR 62 0.100 0.736 2.216 478 HG22 THR 62 HG22 THR 62 -1.237 0.526 3.348 479 HG23 THR 62 HG23 THR 62 0.380 0.884 3.951 480 H ASN 63 H ASN 63 -3.431 3.335 3.684 481 HA ASN 63 HA ASN 63 -4.714 0.932 4.071 482 HB2 ASN 63 HB2 ASN 63 -5.074 2.883 5.487 483 HB3 ASN 63 HB3 ASN 63 -5.882 3.724 4.170 484 HD21 ASN 63 HD21 ASN 63 -7.752 4.008 5.353 485 HD22 ASN 63 HD22 ASN 63 -8.827 2.705 5.712 486 H ARG 64 H ARG 64 -5.606 3.450 1.718 487 HA ARG 64 HA ARG 64 -7.836 2.049 0.641 488 HB2 ARG 64 HB2 ARG 64 -7.530 4.513 0.503 489 HB3 ARG 64 HB3 ARG 64 -6.191 4.265 -0.606 490 HG2 ARG 64 HG2 ARG 64 -7.773 3.164 -2.186 491 HG3 ARG 64 HG3 ARG 64 -9.090 3.591 -1.089 492 HD2 ARG 64 HD2 ARG 64 -8.501 5.971 -1.336 493 HD3 ARG 64 HD3 ARG 64 -7.217 5.527 -2.463 494 HE ARG 64 HE ARG 64 -10.107 5.275 -2.950 495 HH11 ARG 64 HH11 ARG 64 -6.872 5.299 -4.142 496 HH12 ARG 64 HH12 ARG 64 -7.372 5.376 -5.791 497 HH21 ARG 64 HH21 ARG 64 -10.716 5.354 -5.077 498 HH22 ARG 64 HH22 ARG 64 -9.507 5.412 -6.313 499 H ALA 65 H ALA 65 -4.426 2.292 -0.294 500 HA ALA 65 HA ALA 65 -4.618 1.093 -2.834 501 HB1 ALA 65 HB1 ALA 65 -2.208 0.810 -2.703 502 HB2 ALA 65 HB2 ALA 65 -2.250 1.101 -0.963 503 HB3 ALA 65 HB3 ALA 65 -2.679 2.392 -2.083 504 H ILE 66 H ILE 66 -3.990 -0.355 0.357 505 HA ILE 66 HA ILE 66 -3.349 -2.950 -0.409 506 HB ILE 66 HB ILE 66 -4.935 -2.122 2.037 507 HG12 ILE 66 HG12 ILE 66 -2.797 -0.947 1.911 508 HG13 ILE 66 HG13 ILE 66 -2.733 -2.159 3.184 509 HG21 ILE 66 HG21 ILE 66 -5.130 -4.516 1.658 510 HG22 ILE 66 HG22 ILE 66 -4.091 -4.208 3.050 511 HG23 ILE 66 HG23 ILE 66 -3.380 -4.660 1.500 512 HD11 ILE 66 HD11 ILE 66 -1.473 -3.643 1.701 513 HD12 ILE 66 HD12 ILE 66 -0.664 -2.094 1.924 514 HD13 ILE 66 HD13 ILE 66 -1.538 -2.423 0.430 515 H SER 67 H SER 67 -6.523 -1.450 -0.165 516 HA SER 67 HA SER 67 -8.220 -3.632 -0.355 517 HB2 SER 67 HB2 SER 67 -9.089 -1.395 -0.047 518 HB3 SER 67 HB3 SER 67 -8.485 -0.897 -1.625 519 HG SER 67 HG SER 67 -10.310 -1.547 -2.406 520 H LEU 68 H LEU 68 -6.522 -1.948 -2.972 521 HA LEU 68 HA LEU 68 -7.692 -3.414 -5.104 522 HB2 LEU 68 HB2 LEU 68 -5.070 -1.906 -4.997 523 HB3 LEU 68 HB3 LEU 68 -5.832 -2.495 -6.463 524 HG LEU 68 HG LEU 68 -6.972 -0.396 -4.606 525 HD11 LEU 68 HD11 LEU 68 -5.082 0.440 -5.888 526 HD12 LEU 68 HD12 LEU 68 -6.590 1.139 -6.478 527 HD13 LEU 68 HD13 LEU 68 -5.808 -0.157 -7.382 528 HD21 LEU 68 HD21 LEU 68 -8.738 -1.736 -5.623 529 HD22 LEU 68 HD22 LEU 68 -8.037 -1.474 -7.221 530 HD23 LEU 68 HD23 LEU 68 -8.707 -0.114 -6.317 531 H TYR 69 H TYR 69 -4.763 -3.909 -3.174 532 HA TYR 69 HA TYR 69 -3.604 -5.968 -4.695 533 HB2 TYR 69 HB2 TYR 69 -3.436 -5.288 -1.762 534 HB3 TYR 69 HB3 TYR 69 -2.523 -6.621 -2.466 535 HD1 TYR 69 HD1 TYR 69 -2.913 -2.958 -2.377 536 HD2 TYR 69 HD2 TYR 69 -0.627 -6.211 -3.897 537 HE1 TYR 69 HE1 TYR 69 -1.147 -1.391 -3.064 538 HE2 TYR 69 HE2 TYR 69 1.141 -4.655 -4.586 539 HH TYR 69 HH TYR 69 1.389 -2.304 -5.144 540 H MET 70 H MET 70 -6.308 -6.041 -2.520 541 HA MET 70 HA MET 70 -6.392 -8.954 -2.447 542 HB2 MET 70 HB2 MET 70 -8.314 -6.851 -1.419 543 HB3 MET 70 HB3 MET 70 -8.542 -8.583 -1.216 544 HG2 MET 70 HG2 MET 70 -6.242 -6.968 -0.124 545 HG3 MET 70 HG3 MET 70 -7.629 -7.556 0.794 546 HE1 MET 70 HE1 MET 70 -4.783 -9.838 2.167 547 HE2 MET 70 HE2 MET 70 -6.084 -8.718 2.568 548 HE3 MET 70 HE3 MET 70 -4.648 -8.136 1.725 549 H ALA 71 H ALA 71 -8.627 -6.403 -3.575 550 HA ALA 71 HA ALA 71 -10.424 -8.113 -4.867 551 HB1 ALA 71 HB1 ALA 71 -11.351 -6.105 -5.878 552 HB2 ALA 71 HB2 ALA 71 -9.900 -5.199 -5.453 553 HB3 ALA 71 HB3 ALA 71 -10.955 -5.821 -4.184 554 H ASN 72 H ASN 72 -7.737 -6.222 -6.298 555 HA ASN 72 HA ASN 72 -8.287 -6.968 -8.974 556 HB2 ASN 72 HB2 ASN 72 -6.909 -5.003 -8.281 557 HB3 ASN 72 HB3 ASN 72 -5.630 -6.107 -7.796 558 HD21 ASN 72 HD21 ASN 72 -5.697 -3.979 -9.848 559 HD22 ASN 72 HD22 ASN 72 -5.215 -4.758 -11.312 560 H LEU 73 H LEU 73 -6.256 -8.424 -6.477 561 HA LEU 73 HA LEU 73 -4.917 -10.314 -8.096 562 HB2 LEU 73 HB2 LEU 73 -4.425 -9.577 -5.674 563 HB3 LEU 73 HB3 LEU 73 -5.635 -10.748 -5.196 564 HG LEU 73 HG LEU 73 -3.297 -11.571 -4.979 565 HD11 LEU 73 HD11 LEU 73 -5.126 -13.172 -5.248 566 HD12 LEU 73 HD12 LEU 73 -3.633 -13.751 -5.987 567 HD13 LEU 73 HD13 LEU 73 -4.926 -13.106 -7.000 568 HD21 LEU 73 HD21 LEU 73 -2.335 -10.402 -6.897 569 HD22 LEU 73 HD22 LEU 73 -3.259 -11.429 -7.994 570 HD23 LEU 73 HD23 LEU 73 -2.009 -12.133 -6.965 571 H GLU 74 H GLU 74 -7.743 -10.786 -5.934 572 HA GLU 74 HA GLU 74 -8.288 -13.428 -6.656 573 HB2 GLU 74 HB2 GLU 74 -10.548 -13.043 -5.735 574 HB3 GLU 74 HB3 GLU 74 -9.284 -12.413 -4.688 575 HG2 GLU 74 HG2 GLU 74 -9.714 -10.157 -5.504 576 HG3 GLU 74 HG3 GLU 74 -10.955 -10.777 -6.589 577 H HIS 75 H HIS 75 -9.376 -10.419 -8.199 578 HA HIS 75 HA HIS 75 -11.212 -11.677 -9.981 579 HB2 HIS 75 HB2 HIS 75 -9.892 -8.965 -10.023 580 HB3 HIS 75 HB3 HIS 75 -11.018 -9.488 -11.272 581 HD1 HIS 75 HD1 HIS 75 -11.067 -7.499 -8.409 582 HD2 HIS 75 HD2 HIS 75 -13.521 -10.566 -9.762 583 HE1 HIS 75 HE1 HIS 75 -13.237 -7.208 -7.194 584 HE2 HIS 75 HE2 HIS 75 -14.669 -9.127 -7.944 585 H HIS 76 H HIS 76 -7.751 -11.016 -10.192 586 HA HIS 76 HA HIS 76 -7.387 -11.706 -12.902 587 HB2 HIS 76 HB2 HIS 76 -5.658 -11.594 -10.494 588 HB3 HIS 76 HB3 HIS 76 -5.097 -12.664 -11.773 589 HD1 HIS 76 HD1 HIS 76 -5.814 -9.017 -11.092 590 HD2 HIS 76 HD2 HIS 76 -4.072 -11.414 -14.013 591 HE1 HIS 76 HE1 HIS 76 -4.630 -7.443 -12.646 592 HE2 HIS 76 HE2 HIS 76 -3.453 -8.922 -14.300 593 H HIS 77 H HIS 77 -7.788 -13.683 -10.026 594 HA HIS 77 HA HIS 77 -7.289 -16.160 -11.434 595 HB2 HIS 77 HB2 HIS 77 -6.778 -15.785 -8.986 596 HB3 HIS 77 HB3 HIS 77 -8.514 -15.814 -8.687 597 HD1 HIS 77 HD1 HIS 77 -5.744 -18.048 -9.973 598 HD2 HIS 77 HD2 HIS 77 -9.583 -18.330 -8.405 599 HE1 HIS 77 HE1 HIS 77 -6.151 -20.499 -9.627 600 HE2 HIS 77 HE2 HIS 77 -8.397 -20.626 -8.510 601 H HIS 78 H HIS 78 -10.112 -14.313 -10.381 602 HA HIS 78 HA HIS 78 -11.831 -16.199 -11.871 603 HB2 HIS 78 HB2 HIS 78 -12.294 -16.385 -9.483 604 HB3 HIS 78 HB3 HIS 78 -12.522 -14.644 -9.363 605 HD1 HIS 78 HD1 HIS 78 -14.260 -17.782 -10.311 606 HD2 HIS 78 HD2 HIS 78 -14.987 -13.694 -10.471 607 HE1 HIS 78 HE1 HIS 78 -16.709 -17.552 -10.777 608 HE2 HIS 78 HE2 HIS 78 -17.080 -15.086 -11.078 609 H HIS 79 H HIS 79 -11.952 -15.093 -13.801 610 HA HIS 79 HA HIS 79 -12.853 -12.323 -13.867 611 HB2 HIS 79 HB2 HIS 79 -12.007 -14.336 -15.918 612 HB3 HIS 79 HB3 HIS 79 -13.061 -13.026 -16.438 613 HD1 HIS 79 HD1 HIS 79 -10.220 -12.656 -13.946 614 HD2 HIS 79 HD2 HIS 79 -11.242 -11.525 -17.810 615 HE1 HIS 79 HE1 HIS 79 -8.454 -11.027 -14.661 616 HE2 HIS 79 HE2 HIS 79 -9.209 -10.210 -16.911 617 H HIS 80 H HIS 80 -14.917 -11.687 -13.929 618 HA HIS 80 HA HIS 80 -17.183 -11.656 -14.156 619 HB2 HIS 80 HB2 HIS 80 -16.951 -14.365 -15.496 620 HB3 HIS 80 HB3 HIS 80 -18.363 -13.314 -15.509 621 HD1 HIS 80 HD1 HIS 80 -15.124 -13.900 -17.191 622 HD2 HIS 80 HD2 HIS 80 -18.087 -10.990 -17.138 623 HE1 HIS 80 HE1 HIS 80 -14.671 -12.445 -19.179 624 HE2 HIS 80 HE2 HIS 80 -16.605 -10.847 -19.252 Start of MODEL 11 1 H1 MET 1 H1 MET 1 16.931 -10.504 0.105 2 H2 MET 1 H2 MET 1 16.477 -10.734 -1.510 3 H3 MET 1 H3 MET 1 17.086 -12.033 -0.612 4 HA MET 1 HA MET 1 15.180 -11.975 0.850 5 HB2 MET 1 HB2 MET 1 14.775 -9.534 0.609 6 HB3 MET 1 HB3 MET 1 14.178 -9.807 -1.021 7 HG2 MET 1 HG2 MET 1 12.339 -11.140 -0.131 8 HG3 MET 1 HG3 MET 1 12.943 -10.886 1.507 9 HE1 MET 1 HE1 MET 1 9.944 -10.239 0.717 10 HE2 MET 1 HE2 MET 1 9.722 -8.671 1.496 11 HE3 MET 1 HE3 MET 1 10.611 -9.949 2.325 12 H ALA 2 H ALA 2 13.717 -13.596 0.412 13 HA ALA 2 HA ALA 2 13.682 -14.644 -2.312 14 HB1 ALA 2 HB1 ALA 2 12.502 -15.824 0.205 15 HB2 ALA 2 HB2 ALA 2 14.117 -16.156 -0.421 16 HB3 ALA 2 HB3 ALA 2 12.696 -16.639 -1.347 17 H GLY 3 H GLY 3 11.663 -12.756 -0.305 18 HA2 GLY 3 HA2 GLY 3 9.279 -13.314 -1.940 19 HA3 GLY 3 HA3 GLY 3 9.306 -12.423 -0.427 20 H ASP 4 H ASP 4 7.972 -10.886 -1.687 21 HA ASP 4 HA ASP 4 9.697 -8.985 -3.143 22 HB2 ASP 4 HB2 ASP 4 8.373 -10.003 -4.841 23 HB3 ASP 4 HB3 ASP 4 6.909 -9.892 -3.868 24 HA PRO 5 HA PRO 5 7.489 -6.014 -0.513 25 HB2 PRO 5 HB2 PRO 5 9.571 -4.503 0.143 26 HB3 PRO 5 HB3 PRO 5 9.409 -6.126 0.828 27 HG2 PRO 5 HG2 PRO 5 11.236 -5.156 -1.318 28 HG3 PRO 5 HG3 PRO 5 11.497 -6.423 -0.109 29 HD2 PRO 5 HD2 PRO 5 10.639 -6.749 -2.827 30 HD3 PRO 5 HD3 PRO 5 10.812 -8.009 -1.588 31 H MET 6 H MET 6 8.403 -5.975 -3.628 32 HA MET 6 HA MET 6 8.846 -3.099 -3.943 33 HB2 MET 6 HB2 MET 6 9.176 -5.387 -5.882 34 HB3 MET 6 HB3 MET 6 9.474 -3.700 -6.284 35 HG2 MET 6 HG2 MET 6 11.226 -3.587 -4.599 36 HG3 MET 6 HG3 MET 6 10.907 -5.259 -4.140 37 HE1 MET 6 HE1 MET 6 14.432 -5.256 -5.978 38 HE2 MET 6 HE2 MET 6 13.604 -5.533 -4.445 39 HE3 MET 6 HE3 MET 6 13.764 -3.892 -5.078 40 H THR 7 H THR 7 6.482 -5.554 -4.956 41 HA THR 7 HA THR 7 5.119 -4.180 -6.936 42 HB THR 7 HB THR 7 3.033 -5.396 -6.167 43 HG1 THR 7 HG1 THR 7 4.663 -6.823 -4.375 44 HG21 THR 7 HG21 THR 7 3.905 -7.637 -6.698 45 HG22 THR 7 HG22 THR 7 5.552 -7.039 -6.496 46 HG23 THR 7 HG23 THR 7 4.537 -6.411 -7.797 47 H PHE 8 H PHE 8 4.832 -3.738 -3.440 48 HA PHE 8 HA PHE 8 2.602 -2.079 -3.319 49 HB2 PHE 8 HB2 PHE 8 3.679 -2.938 -1.309 50 HB3 PHE 8 HB3 PHE 8 5.126 -1.996 -1.646 51 HD1 PHE 8 HD1 PHE 8 1.485 -1.616 -0.939 52 HD2 PHE 8 HD2 PHE 8 5.367 0.135 -0.724 53 HE1 PHE 8 HE1 PHE 8 0.572 0.249 0.383 54 HE2 PHE 8 HE2 PHE 8 4.455 1.998 0.598 55 HZ PHE 8 HZ PHE 8 2.057 2.060 1.153 56 H TYR 9 H TYR 9 6.020 -1.022 -3.528 57 HA TYR 9 HA TYR 9 5.413 1.706 -3.984 58 HB2 TYR 9 HB2 TYR 9 7.596 1.028 -3.147 59 HB3 TYR 9 HB3 TYR 9 7.918 0.125 -4.623 60 HD1 TYR 9 HD1 TYR 9 7.379 3.558 -3.292 61 HD2 TYR 9 HD2 TYR 9 8.884 1.202 -6.509 62 HE1 TYR 9 HE1 TYR 9 8.405 5.564 -4.279 63 HE2 TYR 9 HE2 TYR 9 9.914 3.203 -7.498 64 HH TYR 9 HH TYR 9 10.291 6.107 -5.828 65 H ASN 10 H ASN 10 6.084 -0.988 -6.186 66 HA ASN 10 HA ASN 10 6.201 0.524 -8.567 67 HB2 ASN 10 HB2 ASN 10 6.985 -1.875 -8.209 68 HB3 ASN 10 HB3 ASN 10 5.302 -2.360 -8.383 69 HD21 ASN 10 HD21 ASN 10 4.332 -2.226 -10.403 70 HD22 ASN 10 HD22 ASN 10 5.237 -1.982 -11.850 71 H PHE 11 H PHE 11 3.524 -0.575 -6.668 72 HA PHE 11 HA PHE 11 1.535 -0.075 -8.715 73 HB2 PHE 11 HB2 PHE 11 1.131 -1.800 -7.020 74 HB3 PHE 11 HB3 PHE 11 1.257 -0.601 -5.741 75 HD1 PHE 11 HD1 PHE 11 -0.795 -1.654 -8.646 76 HD2 PHE 11 HD2 PHE 11 -0.622 0.659 -5.073 77 HE1 PHE 11 HE1 PHE 11 -3.225 -1.275 -8.775 78 HE2 PHE 11 HE2 PHE 11 -3.048 1.044 -5.199 79 HZ PHE 11 HZ PHE 11 -4.351 0.077 -7.051 80 H ILE 12 H ILE 12 2.356 1.465 -5.576 81 HA ILE 12 HA ILE 12 0.537 3.618 -5.928 82 HB ILE 12 HB ILE 12 1.301 2.837 -3.710 83 HG12 ILE 12 HG12 ILE 12 1.583 5.079 -2.671 84 HG13 ILE 12 HG13 ILE 12 1.883 5.768 -4.264 85 HG21 ILE 12 HG21 ILE 12 3.910 4.198 -4.384 86 HG22 ILE 12 HG22 ILE 12 3.660 2.458 -4.267 87 HG23 ILE 12 HG23 ILE 12 3.480 3.472 -2.835 88 HD11 ILE 12 HD11 ILE 12 -0.381 5.133 -4.950 89 HD12 ILE 12 HD12 ILE 12 -0.386 6.198 -3.545 90 HD13 ILE 12 HD13 ILE 12 -0.676 4.471 -3.342 91 H MET 13 H MET 13 3.799 3.160 -7.065 92 HA MET 13 HA MET 13 4.651 5.826 -7.236 93 HB2 MET 13 HB2 MET 13 6.277 5.093 -8.867 94 HB3 MET 13 HB3 MET 13 6.141 3.891 -7.594 95 HG2 MET 13 HG2 MET 13 6.291 2.688 -9.609 96 HG3 MET 13 HG3 MET 13 4.600 2.606 -9.123 97 HE1 MET 13 HE1 MET 13 3.939 1.812 -11.595 98 HE2 MET 13 HE2 MET 13 5.641 1.892 -12.063 99 HE3 MET 13 HE3 MET 13 4.412 2.685 -13.051 100 H GLY 14 H GLY 14 2.316 4.118 -9.153 101 HA2 GLY 14 HA2 GLY 14 2.245 5.731 -11.459 102 HA3 GLY 14 HA3 GLY 14 0.885 4.831 -10.806 103 H PHE 15 H PHE 15 1.173 6.393 -8.224 104 HA PHE 15 HA PHE 15 -0.282 8.801 -9.063 105 HB2 PHE 15 HB2 PHE 15 0.107 7.607 -6.301 106 HB3 PHE 15 HB3 PHE 15 -0.911 8.993 -6.683 107 HD1 PHE 15 HD1 PHE 15 -0.542 5.347 -7.021 108 HD2 PHE 15 HD2 PHE 15 -3.073 8.708 -7.679 109 HE1 PHE 15 HE1 PHE 15 -2.437 3.836 -7.438 110 HE2 PHE 15 HE2 PHE 15 -4.969 7.201 -8.097 111 HZ PHE 15 HZ PHE 15 -4.653 4.761 -7.978 112 H GLN 16 H GLN 16 2.836 7.888 -8.207 113 HA GLN 16 HA GLN 16 3.623 10.239 -6.727 114 HB2 GLN 16 HB2 GLN 16 4.632 7.999 -6.366 115 HB3 GLN 16 HB3 GLN 16 5.319 8.059 -7.976 116 HG2 GLN 16 HG2 GLN 16 5.998 10.247 -6.070 117 HG3 GLN 16 HG3 GLN 16 6.724 8.663 -5.819 118 HE21 GLN 16 HE21 GLN 16 8.142 7.845 -7.415 119 HE22 GLN 16 HE22 GLN 16 8.898 8.887 -8.565 120 H ASN 17 H ASN 17 3.556 9.265 -10.050 121 HA ASN 17 HA ASN 17 5.527 10.559 -11.346 122 HB2 ASN 17 HB2 ASN 17 3.816 9.277 -12.510 123 HB3 ASN 17 HB3 ASN 17 2.613 10.514 -12.163 124 HD21 ASN 17 HD21 ASN 17 2.648 12.435 -13.313 125 HD22 ASN 17 HD22 ASN 17 3.565 12.623 -14.764 126 H ASP 18 H ASP 18 2.469 12.197 -10.452 127 HA ASP 18 HA ASP 18 3.942 14.751 -10.520 128 HB2 ASP 18 HB2 ASP 18 1.629 15.763 -11.113 129 HB3 ASP 18 HB3 ASP 18 2.558 14.965 -12.378 130 H ASN 19 H ASN 19 2.484 16.516 -9.362 131 HA ASN 19 HA ASN 19 2.731 15.845 -6.627 132 HB2 ASN 19 HB2 ASN 19 1.544 18.289 -7.952 133 HB3 ASN 19 HB3 ASN 19 1.852 18.149 -6.223 134 HD21 ASN 19 HD21 ASN 19 2.971 19.936 -8.292 135 HD22 ASN 19 HD22 ASN 19 4.682 19.748 -8.173 136 H THR 20 H THR 20 1.325 14.207 -6.059 137 HA THR 20 HA THR 20 -1.475 15.083 -5.649 138 HB THR 20 HB THR 20 -2.286 12.825 -5.870 139 HG1 THR 20 HG1 THR 20 0.054 11.624 -6.688 140 HG21 THR 20 HG21 THR 20 -2.011 13.983 -8.008 141 HG22 THR 20 HG22 THR 20 -1.722 12.252 -8.198 142 HG23 THR 20 HG23 THR 20 -0.362 13.375 -8.140 143 HA PRO 21 HA PRO 21 -0.845 14.210 -1.265 144 HB2 PRO 21 HB2 PRO 21 -3.209 12.876 -0.687 145 HB3 PRO 21 HB3 PRO 21 -3.030 14.632 -0.730 146 HG2 PRO 21 HG2 PRO 21 -4.092 12.784 -2.838 147 HG3 PRO 21 HG3 PRO 21 -4.686 14.381 -2.340 148 HD2 PRO 21 HD2 PRO 21 -3.240 14.074 -4.578 149 HD3 PRO 21 HD3 PRO 21 -3.045 15.507 -3.545 150 H PHE 22 H PHE 22 -1.793 11.691 -3.501 151 HA PHE 22 HA PHE 22 -1.083 9.469 -1.829 152 HB2 PHE 22 HB2 PHE 22 -1.385 9.534 -4.843 153 HB3 PHE 22 HB3 PHE 22 -1.446 8.109 -3.811 154 HD1 PHE 22 HD1 PHE 22 -3.408 7.677 -2.402 155 HD2 PHE 22 HD2 PHE 22 -3.270 11.014 -5.049 156 HE1 PHE 22 HE1 PHE 22 -5.839 7.947 -2.180 157 HE2 PHE 22 HE2 PHE 22 -5.705 11.287 -4.827 158 HZ PHE 22 HZ PHE 22 -6.993 9.755 -3.391 159 H GLY 23 H GLY 23 0.516 11.339 -4.366 160 HA2 GLY 23 HA2 GLY 23 2.812 9.789 -4.763 161 HA3 GLY 23 HA3 GLY 23 2.718 11.529 -4.983 162 H ILE 24 H ILE 24 2.035 12.023 -2.175 163 HA ILE 24 HA ILE 24 4.584 12.347 -1.043 164 HB ILE 24 HB ILE 24 1.899 12.277 0.360 165 HG12 ILE 24 HG12 ILE 24 1.997 13.963 -1.428 166 HG13 ILE 24 HG13 ILE 24 1.960 14.733 0.154 167 HG21 ILE 24 HG21 ILE 24 3.717 11.997 1.954 168 HG22 ILE 24 HG22 ILE 24 2.990 13.593 2.129 169 HG23 ILE 24 HG23 ILE 24 4.537 13.414 1.302 170 HD11 ILE 24 HD11 ILE 24 3.513 15.837 -1.355 171 HD12 ILE 24 HD12 ILE 24 4.411 14.329 -1.549 172 HD13 ILE 24 HD13 ILE 24 4.358 15.128 0.024 173 H LEU 25 H LEU 25 2.145 9.807 -0.574 174 HA LEU 25 HA LEU 25 3.482 8.406 1.484 175 HB2 LEU 25 HB2 LEU 25 1.086 8.123 0.786 176 HB3 LEU 25 HB3 LEU 25 1.644 7.264 -0.631 177 HG LEU 25 HG LEU 25 0.771 5.854 1.297 178 HD11 LEU 25 HD11 LEU 25 3.579 5.243 0.381 179 HD12 LEU 25 HD12 LEU 25 2.108 4.909 -0.531 180 HD13 LEU 25 HD13 LEU 25 2.396 4.091 1.003 181 HD21 LEU 25 HD21 LEU 25 3.412 6.622 2.543 182 HD22 LEU 25 HD22 LEU 25 2.300 5.391 3.142 183 HD23 LEU 25 HD23 LEU 25 1.813 7.086 3.127 184 H ALA 26 H ALA 26 3.416 7.821 -2.044 185 HA ALA 26 HA ALA 26 5.249 5.726 -2.152 186 HB1 ALA 26 HB1 ALA 26 5.538 6.306 -4.504 187 HB2 ALA 26 HB2 ALA 26 4.797 7.883 -4.218 188 HB3 ALA 26 HB3 ALA 26 3.841 6.412 -4.033 189 H GLU 27 H GLU 27 5.841 9.224 -2.259 190 HA GLU 27 HA GLU 27 8.642 9.114 -2.614 191 HB2 GLU 27 HB2 GLU 27 7.340 11.167 -2.965 192 HB3 GLU 27 HB3 GLU 27 6.942 11.225 -1.252 193 HG2 GLU 27 HG2 GLU 27 9.423 11.406 -0.805 194 HG3 GLU 27 HG3 GLU 27 9.633 11.635 -2.540 195 H HIS 28 H HIS 28 6.630 9.214 0.298 196 HA HIS 28 HA HIS 28 8.757 9.553 2.135 197 HB2 HIS 28 HB2 HIS 28 6.231 10.016 2.434 198 HB3 HIS 28 HB3 HIS 28 6.107 8.312 2.854 199 HD1 HIS 28 HD1 HIS 28 7.578 11.552 4.064 200 HD2 HIS 28 HD2 HIS 28 7.012 7.659 5.406 201 HE1 HIS 28 HE1 HIS 28 8.086 11.606 6.520 202 HE2 HIS 28 HE2 HIS 28 7.941 9.206 7.257 203 H VAL 29 H VAL 29 7.202 6.669 0.807 204 HA VAL 29 HA VAL 29 8.648 4.882 2.571 205 HB VAL 29 HB VAL 29 7.711 3.050 1.265 206 HG11 VAL 29 HG11 VAL 29 5.324 3.471 1.668 207 HG12 VAL 29 HG12 VAL 29 5.666 5.191 1.870 208 HG13 VAL 29 HG13 VAL 29 6.331 4.019 3.011 209 HG21 VAL 29 HG21 VAL 29 6.621 5.187 -0.576 210 HG22 VAL 29 HG22 VAL 29 6.200 3.474 -0.639 211 HG23 VAL 29 HG23 VAL 29 7.853 3.987 -0.970 212 H SER 30 H SER 30 9.153 6.333 -0.549 213 HA SER 30 HA SER 30 11.173 4.568 -1.508 214 HB2 SER 30 HB2 SER 30 9.942 6.102 -2.999 215 HB3 SER 30 HB3 SER 30 10.691 7.484 -2.201 216 HG SER 30 HG SER 30 12.016 5.448 -3.686 217 H GLU 31 H GLU 31 11.202 6.962 0.932 218 HA GLU 31 HA GLU 31 13.925 7.780 0.763 219 HB2 GLU 31 HB2 GLU 31 12.003 7.843 3.102 220 HB3 GLU 31 HB3 GLU 31 13.564 8.654 3.064 221 HG2 GLU 31 HG2 GLU 31 12.778 10.000 1.142 222 HG3 GLU 31 HG3 GLU 31 11.202 9.222 1.273 223 H ASP 32 H ASP 32 12.692 4.784 1.539 224 HA ASP 32 HA ASP 32 14.710 4.131 3.543 225 HB2 ASP 32 HB2 ASP 32 12.493 3.224 3.913 226 HB3 ASP 32 HB3 ASP 32 12.498 2.462 2.325 227 H LYS 33 H LYS 33 16.469 2.865 3.226 228 HA LYS 33 HA LYS 33 16.976 1.824 0.511 229 HB2 LYS 33 HB2 LYS 33 18.949 3.306 2.261 230 HB3 LYS 33 HB3 LYS 33 19.334 2.540 0.727 231 HG2 LYS 33 HG2 LYS 33 17.784 4.066 -0.419 232 HG3 LYS 33 HG3 LYS 33 17.433 4.850 1.124 233 HD2 LYS 33 HD2 LYS 33 19.788 5.496 1.334 234 HD3 LYS 33 HD3 LYS 33 20.149 4.695 -0.196 235 HE2 LYS 33 HE2 LYS 33 18.624 6.245 -1.352 236 HE3 LYS 33 HE3 LYS 33 18.295 7.049 0.182 237 HZ1 LYS 33 HZ1 LYS 33 19.958 8.221 -1.147 238 HZ2 LYS 33 HZ2 LYS 33 20.963 6.865 -1.110 239 HZ3 LYS 33 HZ3 LYS 33 20.604 7.691 0.320 240 H ALA 34 H ALA 34 17.623 1.468 3.987 241 HA ALA 34 HA ALA 34 18.453 -1.295 3.514 242 HB1 ALA 34 HB1 ALA 34 20.534 -1.083 4.729 243 HB2 ALA 34 HB2 ALA 34 20.232 0.635 4.996 244 HB3 ALA 34 HB3 ALA 34 20.514 0.034 3.364 245 H PHE 35 H PHE 35 16.316 0.374 5.133 246 HA PHE 35 HA PHE 35 16.839 -0.613 7.825 247 HB2 PHE 35 HB2 PHE 35 15.763 1.614 7.412 248 HB3 PHE 35 HB3 PHE 35 14.355 0.769 6.778 249 HD1 PHE 35 HD1 PHE 35 16.369 1.387 9.810 250 HD2 PHE 35 HD2 PHE 35 12.750 -0.218 8.242 251 HE1 PHE 35 HE1 PHE 35 15.467 1.200 12.090 252 HE2 PHE 35 HE2 PHE 35 11.842 -0.407 10.521 253 HZ PHE 35 HZ PHE 35 13.201 0.298 12.450 254 HA PRO 36 HA PRO 36 14.783 -4.479 7.002 255 HB2 PRO 36 HB2 PRO 36 14.646 -5.435 9.538 256 HB3 PRO 36 HB3 PRO 36 16.159 -5.367 8.624 257 HG2 PRO 36 HG2 PRO 36 15.114 -3.469 10.704 258 HG3 PRO 36 HG3 PRO 36 16.748 -4.136 10.515 259 HD2 PRO 36 HD2 PRO 36 16.082 -1.642 9.667 260 HD3 PRO 36 HD3 PRO 36 17.307 -2.636 8.851 261 H ARG 37 H ARG 37 12.820 -3.234 6.348 262 HA ARG 37 HA ARG 37 10.705 -3.014 8.326 263 HB2 ARG 37 HB2 ARG 37 10.729 -2.548 5.333 264 HB3 ARG 37 HB3 ARG 37 9.315 -2.310 6.350 265 HG2 ARG 37 HG2 ARG 37 10.497 -0.584 7.615 266 HG3 ARG 37 HG3 ARG 37 11.937 -0.835 6.626 267 HD2 ARG 37 HD2 ARG 37 10.593 1.140 5.938 268 HD3 ARG 37 HD3 ARG 37 10.785 -0.055 4.657 269 HE ARG 37 HE ARG 37 8.478 -0.827 5.378 270 HH11 ARG 37 HH11 ARG 37 9.490 2.454 5.651 271 HH12 ARG 37 HH12 ARG 37 7.887 3.075 5.488 272 HH21 ARG 37 HH21 ARG 37 6.439 -0.044 5.180 273 HH22 ARG 37 HH22 ARG 37 6.168 1.665 5.245 274 H LEU 38 H LEU 38 11.832 -5.355 6.064 275 HA LEU 38 HA LEU 38 11.155 -7.414 5.415 276 HB2 LEU 38 HB2 LEU 38 9.544 -7.163 7.950 277 HB3 LEU 38 HB3 LEU 38 9.467 -8.598 6.948 278 HG LEU 38 HG LEU 38 11.907 -8.943 7.284 279 HD11 LEU 38 HD11 LEU 38 11.686 -6.624 9.206 280 HD12 LEU 38 HD12 LEU 38 12.591 -6.643 7.693 281 HD13 LEU 38 HD13 LEU 38 13.082 -7.689 9.026 282 HD21 LEU 38 HD21 LEU 38 11.761 -9.707 9.592 283 HD22 LEU 38 HD22 LEU 38 10.269 -10.066 8.722 284 HD23 LEU 38 HD23 LEU 38 10.327 -8.709 9.849 285 H GLU 39 H GLU 39 7.991 -6.514 6.744 286 HA GLU 39 HA GLU 39 5.906 -6.522 5.805 287 HB2 GLU 39 HB2 GLU 39 7.432 -4.789 3.852 288 HB3 GLU 39 HB3 GLU 39 5.677 -4.838 3.981 289 HG2 GLU 39 HG2 GLU 39 5.784 -4.005 6.252 290 HG3 GLU 39 HG3 GLU 39 7.545 -4.047 6.212 291 H GLU 40 H GLU 40 7.530 -8.790 4.929 292 HA GLU 40 HA GLU 40 7.430 -9.351 2.220 293 HB2 GLU 40 HB2 GLU 40 7.470 -11.750 2.890 294 HB3 GLU 40 HB3 GLU 40 8.668 -10.764 3.717 295 HG2 GLU 40 HG2 GLU 40 7.207 -10.666 5.689 296 HG3 GLU 40 HG3 GLU 40 6.036 -11.694 4.863 297 H ARG 41 H ARG 41 4.851 -9.788 4.626 298 HA ARG 41 HA ARG 41 2.990 -10.778 2.641 299 HB2 ARG 41 HB2 ARG 41 2.753 -9.998 5.538 300 HB3 ARG 41 HB3 ARG 41 1.310 -10.246 4.566 301 HG2 ARG 41 HG2 ARG 41 3.478 -12.311 4.943 302 HG3 ARG 41 HG3 ARG 41 1.992 -12.228 5.892 303 HD2 ARG 41 HD2 ARG 41 0.697 -12.432 3.769 304 HD3 ARG 41 HD3 ARG 41 2.221 -12.681 2.914 305 HE ARG 41 HE ARG 41 2.139 -14.556 4.951 306 HH11 ARG 41 HH11 ARG 41 0.339 -13.813 2.109 307 HH12 ARG 41 HH12 ARG 41 -0.216 -15.437 1.902 308 HH21 ARG 41 HH21 ARG 41 1.444 -16.634 4.660 309 HH22 ARG 41 HH22 ARG 41 0.391 -17.017 3.342 310 H HIS 42 H HIS 42 2.164 -9.473 1.134 311 HA HIS 42 HA HIS 42 2.496 -6.696 1.096 312 HB2 HIS 42 HB2 HIS 42 0.631 -8.458 -0.502 313 HB3 HIS 42 HB3 HIS 42 0.884 -6.749 -0.837 314 HD1 HIS 42 HD1 HIS 42 1.942 -9.851 -2.073 315 HD2 HIS 42 HD2 HIS 42 3.942 -6.337 -1.120 316 HE1 HIS 42 HE1 HIS 42 4.097 -9.939 -3.352 317 HE2 HIS 42 HE2 HIS 42 5.354 -7.878 -2.648 318 H GLN 43 H GLN 43 0.188 -8.417 2.884 319 HA GLN 43 HA GLN 43 -1.775 -6.256 2.902 320 HB2 GLN 43 HB2 GLN 43 -2.558 -8.598 2.903 321 HB3 GLN 43 HB3 GLN 43 -1.732 -8.875 4.429 322 HG2 GLN 43 HG2 GLN 43 -4.072 -8.572 4.854 323 HG3 GLN 43 HG3 GLN 43 -3.193 -7.186 5.495 324 HE21 GLN 43 HE21 GLN 43 -5.404 -8.285 3.039 325 HE22 GLN 43 HE22 GLN 43 -5.900 -6.716 2.520 326 H VAL 44 H VAL 44 0.627 -7.719 5.099 327 HA VAL 44 HA VAL 44 -0.165 -6.303 7.419 328 HB VAL 44 HB VAL 44 1.930 -6.950 8.436 329 HG11 VAL 44 HG11 VAL 44 1.814 -9.379 8.138 330 HG12 VAL 44 HG12 VAL 44 0.839 -9.155 6.687 331 HG13 VAL 44 HG13 VAL 44 0.209 -8.659 8.256 332 HG21 VAL 44 HG21 VAL 44 2.831 -7.826 5.684 333 HG22 VAL 44 HG22 VAL 44 3.710 -8.078 7.191 334 HG23 VAL 44 HG23 VAL 44 3.451 -6.444 6.586 335 H ILE 45 H ILE 45 1.683 -5.309 4.676 336 HA ILE 45 HA ILE 45 3.252 -3.227 5.591 337 HB ILE 45 HB ILE 45 1.496 -3.164 3.120 338 HG12 ILE 45 HG12 ILE 45 4.325 -4.190 3.481 339 HG13 ILE 45 HG13 ILE 45 2.900 -5.178 3.177 340 HG21 ILE 45 HG21 ILE 45 3.179 -1.608 2.218 341 HG22 ILE 45 HG22 ILE 45 4.018 -1.629 3.771 342 HG23 ILE 45 HG23 ILE 45 2.385 -0.963 3.657 343 HD11 ILE 45 HD11 ILE 45 2.648 -4.105 0.985 344 HD12 ILE 45 HD12 ILE 45 4.203 -4.920 1.165 345 HD13 ILE 45 HD13 ILE 45 4.109 -3.163 1.294 346 H ARG 46 H ARG 46 -0.218 -3.224 4.926 347 HA ARG 46 HA ARG 46 -0.857 -0.562 5.392 348 HB2 ARG 46 HB2 ARG 46 -2.391 -2.220 4.436 349 HB3 ARG 46 HB3 ARG 46 -2.466 -3.058 5.976 350 HG2 ARG 46 HG2 ARG 46 -3.588 -1.151 6.988 351 HG3 ARG 46 HG3 ARG 46 -3.472 -0.260 5.465 352 HD2 ARG 46 HD2 ARG 46 -4.838 -1.940 4.357 353 HD3 ARG 46 HD3 ARG 46 -4.911 -2.892 5.838 354 HE ARG 46 HE ARG 46 -5.927 -0.414 6.482 355 HH11 ARG 46 HH11 ARG 46 -6.688 -2.941 4.282 356 HH12 ARG 46 HH12 ARG 46 -8.382 -2.612 4.302 357 HH21 ARG 46 HH21 ARG 46 -8.119 -0.020 6.544 358 HH22 ARG 46 HH22 ARG 46 -9.185 -1.001 5.596 359 H ALA 47 H ALA 47 -0.645 -3.246 7.734 360 HA ALA 47 HA ALA 47 -1.407 -1.675 9.997 361 HB1 ALA 47 HB1 ALA 47 0.055 -4.315 9.889 362 HB2 ALA 47 HB2 ALA 47 -1.694 -4.098 9.966 363 HB3 ALA 47 HB3 ALA 47 -0.683 -3.604 11.324 364 H TYR 48 H TYR 48 1.732 -2.745 8.712 365 HA TYR 48 HA TYR 48 3.382 -1.853 10.786 366 HB2 TYR 48 HB2 TYR 48 4.090 -3.364 8.940 367 HB3 TYR 48 HB3 TYR 48 4.046 -2.001 7.829 368 HD1 TYR 48 HD1 TYR 48 5.827 -3.495 10.689 369 HD2 TYR 48 HD2 TYR 48 5.828 -0.371 7.795 370 HE1 TYR 48 HE1 TYR 48 8.163 -2.982 11.250 371 HE2 TYR 48 HE2 TYR 48 8.165 0.148 8.350 372 HH TYR 48 HH TYR 48 10.117 -1.926 10.197 373 H VAL 49 H VAL 49 2.428 -0.157 7.786 374 HA VAL 49 HA VAL 49 3.894 2.194 8.341 375 HB VAL 49 HB VAL 49 2.584 3.279 6.591 376 HG11 VAL 49 HG11 VAL 49 4.443 1.848 5.938 377 HG12 VAL 49 HG12 VAL 49 3.149 1.765 4.742 378 HG13 VAL 49 HG13 VAL 49 3.372 0.445 5.891 379 HG21 VAL 49 HG21 VAL 49 0.374 2.406 7.081 380 HG22 VAL 49 HG22 VAL 49 0.888 0.776 6.640 381 HG23 VAL 49 HG23 VAL 49 0.803 2.038 5.410 382 H MET 50 H MET 50 0.472 1.376 9.020 383 HA MET 50 HA MET 50 -0.277 3.924 9.987 384 HB2 MET 50 HB2 MET 50 -1.391 1.189 10.640 385 HB3 MET 50 HB3 MET 50 -2.132 2.696 11.160 386 HG2 MET 50 HG2 MET 50 -2.317 3.342 8.752 387 HG3 MET 50 HG3 MET 50 -1.772 1.719 8.335 388 HE1 MET 50 HE1 MET 50 -4.679 -0.474 9.864 389 HE2 MET 50 HE2 MET 50 -3.206 0.022 10.696 390 HE3 MET 50 HE3 MET 50 -3.134 -0.503 9.014 391 H SER 51 H SER 51 1.398 1.271 11.526 392 HA SER 51 HA SER 51 1.081 2.165 14.220 393 HB2 SER 51 HB2 SER 51 1.626 -0.168 13.670 394 HB3 SER 51 HB3 SER 51 3.182 0.340 13.018 395 HG SER 51 HG SER 51 3.532 -0.335 15.101 396 H ASN 52 H ASN 52 2.838 3.515 11.716 397 HA ASN 52 HA ASN 52 4.753 4.795 13.574 398 HB2 ASN 52 HB2 ASN 52 5.207 3.885 10.725 399 HB3 ASN 52 HB3 ASN 52 6.301 4.975 11.574 400 HD21 ASN 52 HD21 ASN 52 5.052 1.727 11.420 401 HD22 ASN 52 HD22 ASN 52 6.265 1.013 12.420 402 H TYR 53 H TYR 53 3.030 5.239 10.469 403 HA TYR 53 HA TYR 53 3.798 7.947 10.153 404 HB2 TYR 53 HB2 TYR 53 1.521 6.420 8.873 405 HB3 TYR 53 HB3 TYR 53 2.088 8.007 8.360 406 HD1 TYR 53 HD1 TYR 53 5.057 6.651 9.229 407 HD2 TYR 53 HD2 TYR 53 1.994 6.005 6.340 408 HE1 TYR 53 HE1 TYR 53 6.693 5.571 7.745 409 HE2 TYR 53 HE2 TYR 53 3.624 4.924 4.849 410 HH TYR 53 HH TYR 53 6.035 4.873 4.470 411 H THR 54 H THR 54 2.797 9.845 10.614 412 HA THR 54 HA THR 54 0.768 9.691 12.737 413 HB THR 54 HB THR 54 2.789 10.812 13.404 414 HG1 THR 54 HG1 THR 54 1.648 12.255 14.436 415 HG21 THR 54 HG21 THR 54 3.561 12.886 12.313 416 HG22 THR 54 HG22 THR 54 2.333 12.673 11.065 417 HG23 THR 54 HG23 THR 54 3.638 11.498 11.227 418 H ASP 55 H ASP 55 1.299 11.261 9.596 419 HA ASP 55 HA ASP 55 -0.948 13.040 9.914 420 HB2 ASP 55 HB2 ASP 55 1.034 13.714 8.621 421 HB3 ASP 55 HB3 ASP 55 0.700 12.444 7.447 422 H HIS 56 H HIS 56 -2.838 13.113 8.606 423 HA HIS 56 HA HIS 56 -4.230 10.695 8.448 424 HB2 HIS 56 HB2 HIS 56 -4.878 13.387 8.285 425 HB3 HIS 56 HB3 HIS 56 -5.298 12.788 6.687 426 HD1 HIS 56 HD1 HIS 56 -7.279 11.093 6.545 427 HD2 HIS 56 HD2 HIS 56 -6.492 12.518 10.371 428 HE1 HIS 56 HE1 HIS 56 -9.264 10.436 7.927 429 HE2 HIS 56 HE2 HIS 56 -8.865 11.513 10.161 430 H GLN 57 H GLN 57 -2.762 12.621 5.800 431 HA GLN 57 HA GLN 57 -3.814 11.035 3.698 432 HB2 GLN 57 HB2 GLN 57 -1.453 12.919 3.770 433 HB3 GLN 57 HB3 GLN 57 -2.026 12.147 2.299 434 HG2 GLN 57 HG2 GLN 57 -3.758 13.891 4.037 435 HG3 GLN 57 HG3 GLN 57 -2.818 14.498 2.677 436 HE21 GLN 57 HE21 GLN 57 -4.640 15.165 1.571 437 HE22 GLN 57 HE22 GLN 57 -5.741 14.060 0.830 438 H LEU 58 H LEU 58 -0.796 10.780 5.515 439 HA LEU 58 HA LEU 58 0.526 8.907 3.881 440 HB2 LEU 58 HB2 LEU 58 0.646 9.227 6.886 441 HB3 LEU 58 HB3 LEU 58 1.788 8.305 5.927 442 HG LEU 58 HG LEU 58 1.356 11.296 5.751 443 HD11 LEU 58 HD11 LEU 58 2.467 10.614 7.823 444 HD12 LEU 58 HD12 LEU 58 3.574 11.471 6.751 445 HD13 LEU 58 HD13 LEU 58 3.664 9.715 6.887 446 HD21 LEU 58 HD21 LEU 58 3.293 11.302 4.260 447 HD22 LEU 58 HD22 LEU 58 1.988 10.326 3.588 448 HD23 LEU 58 HD23 LEU 58 3.377 9.541 4.341 449 H ILE 59 H ILE 59 -1.741 8.445 6.562 450 HA ILE 59 HA ILE 59 -1.782 5.569 6.328 451 HB ILE 59 HB ILE 59 -3.624 7.460 7.822 452 HG12 ILE 59 HG12 ILE 59 -1.282 5.787 8.786 453 HG13 ILE 59 HG13 ILE 59 -1.288 7.537 8.602 454 HG21 ILE 59 HG21 ILE 59 -3.366 4.456 8.033 455 HG22 ILE 59 HG22 ILE 59 -4.744 5.342 7.378 456 HG23 ILE 59 HG23 ILE 59 -4.342 5.478 9.089 457 HD11 ILE 59 HD11 ILE 59 -3.012 7.700 10.338 458 HD12 ILE 59 HD12 ILE 59 -1.545 6.917 10.920 459 HD13 ILE 59 HD13 ILE 59 -2.966 5.948 10.533 460 H GLU 60 H GLU 60 -3.779 8.249 5.236 461 HA GLU 60 HA GLU 60 -6.080 6.866 4.426 462 HB2 GLU 60 HB2 GLU 60 -5.658 9.402 4.688 463 HB3 GLU 60 HB3 GLU 60 -5.024 9.337 3.050 464 HG2 GLU 60 HG2 GLU 60 -7.271 10.045 2.892 465 HG3 GLU 60 HG3 GLU 60 -7.235 8.367 2.345 466 H THR 61 H THR 61 -3.369 8.048 2.436 467 HA THR 61 HA THR 61 -4.058 6.964 -0.013 468 HB THR 61 HB THR 61 -1.281 7.303 1.160 469 HG1 THR 61 HG1 THR 61 -1.919 9.328 0.957 470 HG21 THR 61 HG21 THR 61 -0.484 7.343 -1.162 471 HG22 THR 61 HG22 THR 61 -2.110 6.955 -1.728 472 HG23 THR 61 HG23 THR 61 -1.210 5.789 -0.759 473 H THR 62 H THR 62 -2.213 5.438 2.616 474 HA THR 62 HA THR 62 -1.627 3.015 1.311 475 HB THR 62 HB THR 62 -1.992 3.478 4.289 476 HG1 THR 62 HG1 THR 62 -0.262 4.680 3.904 477 HG21 THR 62 HG21 THR 62 -0.556 1.507 4.557 478 HG22 THR 62 HG22 THR 62 -0.517 1.285 2.810 479 HG23 THR 62 HG23 THR 62 -2.034 1.091 3.688 480 H ASN 63 H ASN 63 -4.321 3.842 3.509 481 HA ASN 63 HA ASN 63 -5.548 1.326 3.558 482 HB2 ASN 63 HB2 ASN 63 -6.730 4.092 3.889 483 HB3 ASN 63 HB3 ASN 63 -7.632 2.608 4.190 484 HD21 ASN 63 HD21 ASN 63 -6.896 4.750 6.030 485 HD22 ASN 63 HD22 ASN 63 -6.002 3.991 7.295 486 H ARG 64 H ARG 64 -5.965 3.999 1.250 487 HA ARG 64 HA ARG 64 -8.025 2.686 -0.254 488 HB2 ARG 64 HB2 ARG 64 -7.659 5.151 -0.282 489 HB3 ARG 64 HB3 ARG 64 -6.147 4.895 -1.143 490 HG2 ARG 64 HG2 ARG 64 -7.411 3.850 -2.994 491 HG3 ARG 64 HG3 ARG 64 -8.911 4.198 -2.134 492 HD2 ARG 64 HD2 ARG 64 -8.298 6.626 -2.202 493 HD3 ARG 64 HD3 ARG 64 -6.920 6.199 -3.219 494 HE ARG 64 HE ARG 64 -9.567 5.374 -4.124 495 HH11 ARG 64 HH11 ARG 64 -6.938 7.585 -4.463 496 HH12 ARG 64 HH12 ARG 64 -7.468 8.145 -6.008 497 HH21 ARG 64 HH21 ARG 64 -10.230 6.110 -6.101 498 HH22 ARG 64 HH22 ARG 64 -9.302 7.312 -6.926 499 H ALA 65 H ALA 65 -4.531 3.138 -0.769 500 HA ALA 65 HA ALA 65 -4.304 1.832 -3.228 501 HB1 ALA 65 HB1 ALA 65 -1.915 1.688 -2.768 502 HB2 ALA 65 HB2 ALA 65 -2.209 2.047 -1.064 503 HB3 ALA 65 HB3 ALA 65 -2.546 3.264 -2.294 504 H ILE 66 H ILE 66 -3.513 0.485 0.000 505 HA ILE 66 HA ILE 66 -2.875 -2.091 -0.753 506 HB ILE 66 HB ILE 66 -4.213 -1.149 1.790 507 HG12 ILE 66 HG12 ILE 66 -1.953 -0.245 1.330 508 HG13 ILE 66 HG13 ILE 66 -1.965 -1.296 2.740 509 HG21 ILE 66 HG21 ILE 66 -4.690 -3.518 1.525 510 HG22 ILE 66 HG22 ILE 66 -3.496 -3.281 2.802 511 HG23 ILE 66 HG23 ILE 66 -2.986 -3.850 1.212 512 HD11 ILE 66 HD11 ILE 66 -1.012 -2.065 -0.016 513 HD12 ILE 66 HD12 ILE 66 -1.003 -3.102 1.412 514 HD13 ILE 66 HD13 ILE 66 0.009 -1.659 1.362 515 H SER 67 H SER 67 -6.122 -0.847 0.041 516 HA SER 67 HA SER 67 -7.517 -3.266 -0.260 517 HB2 SER 67 HB2 SER 67 -8.552 -1.283 0.756 518 HB3 SER 67 HB3 SER 67 -8.512 -0.452 -0.797 519 HG SER 67 HG SER 67 -10.081 -2.659 0.005 520 H LEU 68 H LEU 68 -7.232 -0.611 -2.658 521 HA LEU 68 HA LEU 68 -8.353 -2.195 -4.759 522 HB2 LEU 68 HB2 LEU 68 -6.993 0.491 -4.707 523 HB3 LEU 68 HB3 LEU 68 -7.495 -0.255 -6.212 524 HG LEU 68 HG LEU 68 -9.843 -0.306 -5.351 525 HD11 LEU 68 HD11 LEU 68 -9.423 -0.263 -2.967 526 HD12 LEU 68 HD12 LEU 68 -10.434 1.104 -3.433 527 HD13 LEU 68 HD13 LEU 68 -8.720 1.351 -3.095 528 HD21 LEU 68 HD21 LEU 68 -10.280 2.065 -5.704 529 HD22 LEU 68 HD22 LEU 68 -9.075 1.468 -6.846 530 HD23 LEU 68 HD23 LEU 68 -8.573 2.432 -5.456 531 H TYR 69 H TYR 69 -5.335 -2.325 -3.378 532 HA TYR 69 HA TYR 69 -3.963 -3.223 -5.792 533 HB2 TYR 69 HB2 TYR 69 -2.486 -2.054 -4.401 534 HB3 TYR 69 HB3 TYR 69 -3.142 -2.768 -2.934 535 HD1 TYR 69 HD1 TYR 69 -1.165 -3.657 -5.991 536 HD2 TYR 69 HD2 TYR 69 -2.042 -4.538 -1.917 537 HE1 TYR 69 HE1 TYR 69 0.648 -5.322 -5.960 538 HE2 TYR 69 HE2 TYR 69 -0.238 -6.197 -1.878 539 HH TYR 69 HH TYR 69 2.108 -6.433 -4.310 540 H MET 70 H MET 70 -4.583 -4.681 -2.561 541 HA MET 70 HA MET 70 -3.980 -7.300 -3.445 542 HB2 MET 70 HB2 MET 70 -4.827 -8.067 -1.291 543 HB3 MET 70 HB3 MET 70 -3.799 -6.658 -1.090 544 HG2 MET 70 HG2 MET 70 -5.584 -6.327 0.378 545 HG3 MET 70 HG3 MET 70 -5.936 -5.288 -1.001 546 HE1 MET 70 HE1 MET 70 -9.507 -6.416 0.158 547 HE2 MET 70 HE2 MET 70 -8.475 -5.042 -0.240 548 HE3 MET 70 HE3 MET 70 -8.114 -6.036 1.172 549 H ALA 71 H ALA 71 -7.028 -5.517 -3.255 550 HA ALA 71 HA ALA 71 -8.646 -7.808 -3.948 551 HB1 ALA 71 HB1 ALA 71 -10.497 -6.215 -4.039 552 HB2 ALA 71 HB2 ALA 71 -9.358 -4.872 -3.916 553 HB3 ALA 71 HB3 ALA 71 -9.548 -5.996 -2.568 554 H ASN 72 H ASN 72 -6.539 -6.003 -5.736 555 HA ASN 72 HA ASN 72 -8.090 -6.248 -8.224 556 HB2 ASN 72 HB2 ASN 72 -6.979 -4.072 -7.784 557 HB3 ASN 72 HB3 ASN 72 -5.420 -4.889 -7.743 558 HD21 ASN 72 HD21 ASN 72 -8.048 -3.846 -9.766 559 HD22 ASN 72 HD22 ASN 72 -7.220 -4.047 -11.270 560 H LEU 73 H LEU 73 -4.951 -7.131 -6.804 561 HA LEU 73 HA LEU 73 -3.904 -8.607 -8.917 562 HB2 LEU 73 HB2 LEU 73 -2.742 -7.864 -6.795 563 HB3 LEU 73 HB3 LEU 73 -3.503 -9.210 -5.978 564 HG LEU 73 HG LEU 73 -1.092 -9.546 -6.652 565 HD11 LEU 73 HD11 LEU 73 -2.550 -11.438 -6.112 566 HD12 LEU 73 HD12 LEU 73 -1.369 -11.847 -7.354 567 HD13 LEU 73 HD13 LEU 73 -3.045 -11.533 -7.801 568 HD21 LEU 73 HD21 LEU 73 -1.212 -8.440 -8.827 569 HD22 LEU 73 HD22 LEU 73 -2.259 -9.723 -9.428 570 HD23 LEU 73 HD23 LEU 73 -0.593 -10.082 -8.968 571 H GLU 74 H GLU 74 -5.493 -10.039 -6.008 572 HA GLU 74 HA GLU 74 -5.604 -12.615 -7.160 573 HB2 GLU 74 HB2 GLU 74 -7.177 -13.161 -5.277 574 HB3 GLU 74 HB3 GLU 74 -5.624 -12.505 -4.802 575 HG2 GLU 74 HG2 GLU 74 -7.125 -11.459 -3.385 576 HG3 GLU 74 HG3 GLU 74 -6.821 -10.253 -4.632 577 H HIS 75 H HIS 75 -8.020 -10.019 -7.036 578 HA HIS 75 HA HIS 75 -10.149 -11.443 -8.195 579 HB2 HIS 75 HB2 HIS 75 -10.291 -9.164 -7.128 580 HB3 HIS 75 HB3 HIS 75 -9.569 -8.495 -8.588 581 HD1 HIS 75 HD1 HIS 75 -12.739 -9.945 -7.252 582 HD2 HIS 75 HD2 HIS 75 -11.291 -8.378 -10.819 583 HE1 HIS 75 HE1 HIS 75 -14.753 -9.619 -8.710 584 HE2 HIS 75 HE2 HIS 75 -13.835 -8.833 -10.914 585 H HIS 76 H HIS 76 -7.381 -9.818 -9.652 586 HA HIS 76 HA HIS 76 -8.265 -10.165 -12.362 587 HB2 HIS 76 HB2 HIS 76 -6.644 -8.408 -11.671 588 HB3 HIS 76 HB3 HIS 76 -5.468 -9.664 -11.304 589 HD1 HIS 76 HD1 HIS 76 -3.799 -9.889 -13.099 590 HD2 HIS 76 HD2 HIS 76 -7.507 -8.766 -14.601 591 HE1 HIS 76 HE1 HIS 76 -3.483 -9.670 -15.578 592 HE2 HIS 76 HE2 HIS 76 -5.668 -8.750 -16.415 593 H HIS 77 H HIS 77 -6.558 -12.116 -10.035 594 HA HIS 77 HA HIS 77 -5.809 -14.112 -12.023 595 HB2 HIS 77 HB2 HIS 77 -4.405 -13.499 -9.974 596 HB3 HIS 77 HB3 HIS 77 -5.586 -14.392 -9.023 597 HD1 HIS 77 HD1 HIS 77 -4.247 -16.414 -8.360 598 HD2 HIS 77 HD2 HIS 77 -3.997 -15.625 -12.431 599 HE1 HIS 77 HE1 HIS 77 -3.000 -18.353 -9.342 600 HE2 HIS 77 HE2 HIS 77 -2.721 -17.776 -11.774 601 H HIS 78 H HIS 78 -8.610 -13.317 -10.463 602 HA HIS 78 HA HIS 78 -9.683 -16.056 -10.780 603 HB2 HIS 78 HB2 HIS 78 -10.510 -13.841 -8.897 604 HB3 HIS 78 HB3 HIS 78 -11.585 -15.179 -9.285 605 HD1 HIS 78 HD1 HIS 78 -11.376 -17.187 -7.850 606 HD2 HIS 78 HD2 HIS 78 -7.999 -14.786 -7.620 607 HE1 HIS 78 HE1 HIS 78 -9.970 -18.187 -6.035 608 HE2 HIS 78 HE2 HIS 78 -8.052 -16.593 -5.769 609 H HIS 79 H HIS 79 -12.120 -15.987 -11.337 610 HA HIS 79 HA HIS 79 -12.914 -13.685 -12.957 611 HB2 HIS 79 HB2 HIS 79 -12.651 -16.489 -14.072 612 HB3 HIS 79 HB3 HIS 79 -13.554 -15.203 -14.868 613 HD1 HIS 79 HD1 HIS 79 -10.300 -16.713 -14.836 614 HD2 HIS 79 HD2 HIS 79 -11.754 -12.864 -15.416 615 HE1 HIS 79 HE1 HIS 79 -8.466 -15.473 -15.998 616 HE2 HIS 79 HE2 HIS 79 -9.450 -13.227 -16.534 617 H HIS 80 H HIS 80 -15.215 -14.146 -13.921 618 HA HIS 80 HA HIS 80 -16.856 -15.818 -12.184 619 HB2 HIS 80 HB2 HIS 80 -18.411 -13.880 -11.691 620 HB3 HIS 80 HB3 HIS 80 -16.863 -13.848 -10.859 621 HD1 HIS 80 HD1 HIS 80 -18.616 -12.211 -13.800 622 HD2 HIS 80 HD2 HIS 80 -15.383 -11.583 -11.260 623 HE1 HIS 80 HE1 HIS 80 -17.802 -9.889 -14.304 624 HE2 HIS 80 HE2 HIS 80 -15.864 -9.522 -12.746 Start of MODEL 12 1 H1 MET 1 H1 MET 1 16.412 -12.390 -5.902 2 H2 MET 1 H2 MET 1 16.457 -13.637 -4.759 3 H3 MET 1 H3 MET 1 15.205 -12.500 -4.722 4 HA MET 1 HA MET 1 15.706 -14.472 -6.877 5 HB2 MET 1 HB2 MET 1 13.562 -14.339 -4.746 6 HB3 MET 1 HB3 MET 1 13.532 -15.448 -6.112 7 HG2 MET 1 HG2 MET 1 14.331 -16.548 -4.097 8 HG3 MET 1 HG3 MET 1 15.588 -16.491 -5.332 9 HE1 MET 1 HE1 MET 1 17.641 -16.205 -2.008 10 HE2 MET 1 HE2 MET 1 17.427 -17.094 -3.517 11 HE3 MET 1 HE3 MET 1 16.182 -17.163 -2.267 12 H ALA 2 H ALA 2 14.199 -14.475 -8.598 13 HA ALA 2 HA ALA 2 13.320 -11.881 -9.419 14 HB1 ALA 2 HB1 ALA 2 14.160 -13.532 -11.015 15 HB2 ALA 2 HB2 ALA 2 12.525 -13.017 -11.432 16 HB3 ALA 2 HB3 ALA 2 12.788 -14.581 -10.660 17 H GLY 3 H GLY 3 11.037 -11.591 -10.348 18 HA2 GLY 3 HA2 GLY 3 8.730 -11.612 -10.110 19 HA3 GLY 3 HA3 GLY 3 8.881 -13.011 -9.060 20 H ASP 4 H ASP 4 8.774 -9.533 -9.224 21 HA ASP 4 HA ASP 4 9.488 -8.887 -6.595 22 HB2 ASP 4 HB2 ASP 4 9.389 -7.200 -8.333 23 HB3 ASP 4 HB3 ASP 4 7.651 -7.437 -8.512 24 HA PRO 5 HA PRO 5 5.619 -9.978 -4.530 25 HB2 PRO 5 HB2 PRO 5 6.626 -10.326 -2.095 26 HB3 PRO 5 HB3 PRO 5 7.019 -11.459 -3.392 27 HG2 PRO 5 HG2 PRO 5 8.684 -9.276 -2.218 28 HG3 PRO 5 HG3 PRO 5 9.180 -10.871 -2.813 29 HD2 PRO 5 HD2 PRO 5 9.306 -8.417 -4.229 30 HD3 PRO 5 HD3 PRO 5 9.559 -10.042 -4.897 31 H MET 6 H MET 6 7.541 -7.170 -4.271 32 HA MET 6 HA MET 6 6.469 -6.043 -1.881 33 HB2 MET 6 HB2 MET 6 7.890 -4.673 -4.175 34 HB3 MET 6 HB3 MET 6 7.584 -3.966 -2.596 35 HG2 MET 6 HG2 MET 6 8.991 -5.692 -1.559 36 HG3 MET 6 HG3 MET 6 9.312 -6.375 -3.152 37 HE1 MET 6 HE1 MET 6 9.053 -2.527 -2.193 38 HE2 MET 6 HE2 MET 6 10.740 -2.190 -1.802 39 HE3 MET 6 HE3 MET 6 9.802 -3.284 -0.787 40 H THR 7 H THR 7 5.907 -5.272 -5.316 41 HA THR 7 HA THR 7 4.205 -4.328 -6.460 42 HB THR 7 HB THR 7 1.904 -4.796 -5.829 43 HG1 THR 7 HG1 THR 7 2.962 -5.702 -3.337 44 HG21 THR 7 HG21 THR 7 3.709 -7.135 -5.170 45 HG22 THR 7 HG22 THR 7 3.234 -6.628 -6.793 46 HG23 THR 7 HG23 THR 7 2.019 -7.232 -5.666 47 H PHE 8 H PHE 8 3.161 -3.593 -3.126 48 HA PHE 8 HA PHE 8 1.910 -1.271 -3.259 49 HB2 PHE 8 HB2 PHE 8 2.405 -2.338 -1.149 50 HB3 PHE 8 HB3 PHE 8 4.114 -1.958 -1.306 51 HD1 PHE 8 HD1 PHE 8 0.763 -0.384 -0.922 52 HD2 PHE 8 HD2 PHE 8 4.974 0.022 -0.408 53 HE1 PHE 8 HE1 PHE 8 0.408 1.694 0.341 54 HE2 PHE 8 HE2 PHE 8 4.620 2.103 0.855 55 HZ PHE 8 HZ PHE 8 2.336 2.940 1.231 56 H TYR 9 H TYR 9 5.485 -1.181 -2.906 57 HA TYR 9 HA TYR 9 5.746 1.575 -3.344 58 HB2 TYR 9 HB2 TYR 9 7.549 0.302 -2.341 59 HB3 TYR 9 HB3 TYR 9 7.744 -0.656 -3.806 60 HD1 TYR 9 HD1 TYR 9 8.044 2.819 -2.484 61 HD2 TYR 9 HD2 TYR 9 9.204 0.057 -5.512 62 HE1 TYR 9 HE1 TYR 9 9.680 4.444 -3.336 63 HE2 TYR 9 HE2 TYR 9 10.843 1.675 -6.366 64 HH TYR 9 HH TYR 9 11.219 4.091 -6.342 65 H ASN 10 H ASN 10 6.009 -1.125 -5.663 66 HA ASN 10 HA ASN 10 6.829 0.374 -7.892 67 HB2 ASN 10 HB2 ASN 10 6.897 -2.129 -7.659 68 HB3 ASN 10 HB3 ASN 10 5.161 -2.151 -7.948 69 HD21 ASN 10 HD21 ASN 10 5.247 -3.275 -9.842 70 HD22 ASN 10 HD22 ASN 10 5.940 -2.645 -11.292 71 H PHE 11 H PHE 11 3.670 -0.090 -6.486 72 HA PHE 11 HA PHE 11 2.209 0.922 -8.765 73 HB2 PHE 11 HB2 PHE 11 1.185 -0.712 -7.258 74 HB3 PHE 11 HB3 PHE 11 1.346 0.404 -5.908 75 HD1 PHE 11 HD1 PHE 11 -0.333 -0.059 -9.190 76 HD2 PHE 11 HD2 PHE 11 -0.340 1.978 -5.445 77 HE1 PHE 11 HE1 PHE 11 -2.565 0.849 -9.687 78 HE2 PHE 11 HE2 PHE 11 -2.575 2.883 -5.938 79 HZ PHE 11 HZ PHE 11 -3.687 2.321 -8.064 80 H ILE 12 H ILE 12 2.970 2.166 -5.501 81 HA ILE 12 HA ILE 12 1.522 4.564 -5.774 82 HB ILE 12 HB ILE 12 2.230 3.559 -3.603 83 HG12 ILE 12 HG12 ILE 12 2.682 5.733 -2.473 84 HG13 ILE 12 HG13 ILE 12 2.984 6.468 -4.044 85 HG21 ILE 12 HG21 ILE 12 4.543 3.026 -4.154 86 HG22 ILE 12 HG22 ILE 12 4.465 4.051 -2.721 87 HG23 ILE 12 HG23 ILE 12 4.927 4.744 -4.275 88 HD11 ILE 12 HD11 ILE 12 0.670 5.996 -4.694 89 HD12 ILE 12 HD12 ILE 12 0.761 6.995 -3.244 90 HD13 ILE 12 HD13 ILE 12 0.380 5.278 -3.109 91 H MET 13 H MET 13 4.718 3.744 -6.915 92 HA MET 13 HA MET 13 5.922 6.253 -7.057 93 HB2 MET 13 HB2 MET 13 6.135 3.949 -9.006 94 HB3 MET 13 HB3 MET 13 7.176 5.366 -9.039 95 HG2 MET 13 HG2 MET 13 7.853 4.788 -6.681 96 HG3 MET 13 HG3 MET 13 6.996 3.264 -6.897 97 HE1 MET 13 HE1 MET 13 7.637 2.806 -10.071 98 HE2 MET 13 HE2 MET 13 7.630 1.514 -8.869 99 HE3 MET 13 HE3 MET 13 9.021 1.721 -9.935 100 H GLY 14 H GLY 14 3.427 4.878 -9.128 101 HA2 GLY 14 HA2 GLY 14 3.561 6.625 -11.302 102 HA3 GLY 14 HA3 GLY 14 2.096 5.840 -10.740 103 H PHE 15 H PHE 15 2.311 7.207 -8.091 104 HA PHE 15 HA PHE 15 0.976 9.676 -8.857 105 HB2 PHE 15 HB2 PHE 15 1.437 8.447 -6.128 106 HB3 PHE 15 HB3 PHE 15 0.416 9.845 -6.456 107 HD1 PHE 15 HD1 PHE 15 0.760 6.204 -6.861 108 HD2 PHE 15 HD2 PHE 15 -1.768 9.586 -7.436 109 HE1 PHE 15 HE1 PHE 15 -1.142 4.704 -7.283 110 HE2 PHE 15 HE2 PHE 15 -3.674 8.087 -7.860 111 HZ PHE 15 HZ PHE 15 -3.363 5.645 -7.784 112 H GLN 16 H GLN 16 4.088 8.709 -7.772 113 HA GLN 16 HA GLN 16 4.934 11.146 -6.543 114 HB2 GLN 16 HB2 GLN 16 6.080 9.083 -6.041 115 HB3 GLN 16 HB3 GLN 16 6.457 8.819 -7.734 116 HG2 GLN 16 HG2 GLN 16 8.423 9.531 -6.498 117 HG3 GLN 16 HG3 GLN 16 7.977 10.720 -7.716 118 HE21 GLN 16 HE21 GLN 16 6.287 10.431 -4.660 119 HE22 GLN 16 HE22 GLN 16 6.857 11.915 -4.000 120 H ASN 17 H ASN 17 4.548 10.159 -9.816 121 HA ASN 17 HA ASN 17 6.392 11.786 -11.156 122 HB2 ASN 17 HB2 ASN 17 4.943 10.013 -12.201 123 HB3 ASN 17 HB3 ASN 17 3.583 11.127 -12.091 124 HD21 ASN 17 HD21 ASN 17 6.579 10.418 -13.674 125 HD22 ASN 17 HD22 ASN 17 6.390 11.534 -14.978 126 H ASP 18 H ASP 18 3.319 12.556 -9.658 127 HA ASP 18 HA ASP 18 3.669 15.403 -10.382 128 HB2 ASP 18 HB2 ASP 18 1.078 13.999 -9.665 129 HB3 ASP 18 HB3 ASP 18 1.254 15.670 -10.193 130 H ASN 19 H ASN 19 3.153 16.977 -8.729 131 HA ASN 19 HA ASN 19 3.905 16.091 -6.084 132 HB2 ASN 19 HB2 ASN 19 3.208 18.842 -7.139 133 HB3 ASN 19 HB3 ASN 19 3.800 18.513 -5.513 134 HD21 ASN 19 HD21 ASN 19 5.676 16.496 -6.228 135 HD22 ASN 19 HD22 ASN 19 6.972 17.273 -7.062 136 H THR 20 H THR 20 2.137 14.765 -5.506 137 HA THR 20 HA THR 20 -0.299 16.239 -4.689 138 HB THR 20 HB THR 20 -1.681 14.286 -5.213 139 HG1 THR 20 HG1 THR 20 0.248 12.974 -6.704 140 HG21 THR 20 HG21 THR 20 -1.398 15.950 -6.988 141 HG22 THR 20 HG22 THR 20 -1.568 14.331 -7.664 142 HG23 THR 20 HG23 THR 20 0.023 15.088 -7.580 143 HA PRO 21 HA PRO 21 0.073 14.465 -0.578 144 HB2 PRO 21 HB2 PRO 21 -2.751 13.543 -0.973 145 HB3 PRO 21 HB3 PRO 21 -2.033 14.423 0.383 146 HG2 PRO 21 HG2 PRO 21 -3.536 15.711 -1.387 147 HG3 PRO 21 HG3 PRO 21 -2.059 16.461 -0.749 148 HD2 PRO 21 HD2 PRO 21 -2.543 15.203 -3.422 149 HD3 PRO 21 HD3 PRO 21 -1.557 16.618 -3.000 150 H PHE 22 H PHE 22 -1.458 12.507 -3.097 151 HA PHE 22 HA PHE 22 -0.885 9.967 -1.939 152 HB2 PHE 22 HB2 PHE 22 -1.304 10.708 -4.850 153 HB3 PHE 22 HB3 PHE 22 -1.340 9.074 -4.196 154 HD1 PHE 22 HD1 PHE 22 -3.141 12.260 -4.452 155 HD2 PHE 22 HD2 PHE 22 -3.248 8.286 -2.906 156 HE1 PHE 22 HE1 PHE 22 -5.550 12.495 -4.009 157 HE2 PHE 22 HE2 PHE 22 -5.656 8.523 -2.464 158 HZ PHE 22 HZ PHE 22 -6.810 10.630 -3.013 159 H GLY 23 H GLY 23 0.788 12.015 -4.317 160 HA2 GLY 23 HA2 GLY 23 3.024 10.354 -4.766 161 HA3 GLY 23 HA3 GLY 23 2.986 12.099 -4.980 162 H ILE 24 H ILE 24 2.301 12.633 -2.184 163 HA ILE 24 HA ILE 24 4.828 12.817 -0.989 164 HB ILE 24 HB ILE 24 2.093 12.877 0.310 165 HG12 ILE 24 HG12 ILE 24 2.393 14.634 -1.356 166 HG13 ILE 24 HG13 ILE 24 2.407 15.336 0.257 167 HG21 ILE 24 HG21 ILE 24 3.755 12.372 1.999 168 HG22 ILE 24 HG22 ILE 24 3.195 14.033 2.192 169 HG23 ILE 24 HG23 ILE 24 4.762 13.714 1.449 170 HD11 ILE 24 HD11 ILE 24 4.829 14.759 -1.433 171 HD12 ILE 24 HD12 ILE 24 4.837 15.476 0.178 172 HD13 ILE 24 HD13 ILE 24 4.094 16.339 -1.168 173 H LEU 25 H LEU 25 2.291 10.362 -0.633 174 HA LEU 25 HA LEU 25 3.492 8.794 1.351 175 HB2 LEU 25 HB2 LEU 25 1.168 8.565 0.345 176 HB3 LEU 25 HB3 LEU 25 1.918 7.742 -1.005 177 HG LEU 25 HG LEU 25 0.839 6.250 0.710 178 HD11 LEU 25 HD11 LEU 25 3.797 5.812 0.286 179 HD12 LEU 25 HD12 LEU 25 2.508 5.362 -0.832 180 HD13 LEU 25 HD13 LEU 25 2.618 4.582 0.746 181 HD21 LEU 25 HD21 LEU 25 3.169 7.106 2.433 182 HD22 LEU 25 HD22 LEU 25 2.012 5.828 2.804 183 HD23 LEU 25 HD23 LEU 25 1.472 7.502 2.713 184 H ALA 26 H ALA 26 3.770 8.552 -2.199 185 HA ALA 26 HA ALA 26 5.735 6.557 -2.316 186 HB1 ALA 26 HB1 ALA 26 5.286 8.836 -4.246 187 HB2 ALA 26 HB2 ALA 26 4.449 7.284 -4.266 188 HB3 ALA 26 HB3 ALA 26 6.184 7.354 -4.583 189 H GLU 27 H GLU 27 6.038 10.051 -1.946 190 HA GLU 27 HA GLU 27 8.822 10.297 -2.240 191 HB2 GLU 27 HB2 GLU 27 7.370 12.242 -2.240 192 HB3 GLU 27 HB3 GLU 27 6.865 11.914 -0.587 193 HG2 GLU 27 HG2 GLU 27 9.257 12.260 0.109 194 HG3 GLU 27 HG3 GLU 27 9.580 12.816 -1.530 195 H HIS 28 H HIS 28 6.868 9.915 0.728 196 HA HIS 28 HA HIS 28 9.128 9.942 2.448 197 HB2 HIS 28 HB2 HIS 28 6.758 10.552 3.096 198 HB3 HIS 28 HB3 HIS 28 6.408 8.826 3.144 199 HD1 HIS 28 HD1 HIS 28 7.854 11.564 5.137 200 HD2 HIS 28 HD2 HIS 28 7.933 7.404 5.181 201 HE1 HIS 28 HE1 HIS 28 8.728 10.927 7.399 202 HE2 HIS 28 HE2 HIS 28 8.883 8.419 7.358 203 H VAL 29 H VAL 29 7.309 7.265 0.950 204 HA VAL 29 HA VAL 29 8.739 5.243 2.390 205 HB VAL 29 HB VAL 29 7.879 3.629 0.790 206 HG11 VAL 29 HG11 VAL 29 5.472 3.995 1.121 207 HG12 VAL 29 HG12 VAL 29 5.796 5.667 1.584 208 HG13 VAL 29 HG13 VAL 29 6.400 4.343 2.581 209 HG21 VAL 29 HG21 VAL 29 6.900 6.021 -0.778 210 HG22 VAL 29 HG22 VAL 29 6.445 4.345 -1.102 211 HG23 VAL 29 HG23 VAL 29 8.124 4.857 -1.286 212 H SER 30 H SER 30 9.351 7.025 -0.578 213 HA SER 30 HA SER 30 11.656 5.510 -1.359 214 HB2 SER 30 HB2 SER 30 10.415 6.973 -2.943 215 HB3 SER 30 HB3 SER 30 10.944 8.386 -2.035 216 HG SER 30 HG SER 30 13.163 7.524 -2.496 217 H GLU 31 H GLU 31 11.044 8.035 0.930 218 HA GLU 31 HA GLU 31 13.691 8.947 1.371 219 HB2 GLU 31 HB2 GLU 31 11.635 10.111 2.137 220 HB3 GLU 31 HB3 GLU 31 11.360 8.827 3.303 221 HG2 GLU 31 HG2 GLU 31 13.472 9.410 4.420 222 HG3 GLU 31 HG3 GLU 31 13.701 10.726 3.268 223 H ASP 32 H ASP 32 11.872 6.195 2.583 224 HA ASP 32 HA ASP 32 13.896 5.306 4.420 225 HB2 ASP 32 HB2 ASP 32 11.596 4.634 4.795 226 HB3 ASP 32 HB3 ASP 32 11.494 3.910 3.194 227 H LYS 33 H LYS 33 14.881 3.045 4.076 228 HA LYS 33 HA LYS 33 16.607 3.141 1.864 229 HB2 LYS 33 HB2 LYS 33 15.981 0.871 3.764 230 HB3 LYS 33 HB3 LYS 33 17.316 0.861 2.615 231 HG2 LYS 33 HG2 LYS 33 18.335 2.759 3.697 232 HG3 LYS 33 HG3 LYS 33 16.953 2.933 4.775 233 HD2 LYS 33 HD2 LYS 33 18.761 0.515 4.688 234 HD3 LYS 33 HD3 LYS 33 18.927 1.846 5.831 235 HE2 LYS 33 HE2 LYS 33 16.578 1.370 6.587 236 HE3 LYS 33 HE3 LYS 33 16.610 -0.073 5.572 237 HZ1 LYS 33 HZ1 LYS 33 17.169 -0.611 7.846 238 HZ2 LYS 33 HZ2 LYS 33 18.441 0.504 7.838 239 HZ3 LYS 33 HZ3 LYS 33 18.507 -0.866 6.852 240 H ALA 34 H ALA 34 13.487 1.609 2.236 241 HA ALA 34 HA ALA 34 12.082 0.615 0.741 242 HB1 ALA 34 HB1 ALA 34 12.082 1.520 -1.504 243 HB2 ALA 34 HB2 ALA 34 13.732 2.109 -1.293 244 HB3 ALA 34 HB3 ALA 34 12.420 2.802 -0.341 245 H PHE 35 H PHE 35 14.728 -0.778 1.288 246 HA PHE 35 HA PHE 35 14.880 -2.493 -1.112 247 HB2 PHE 35 HB2 PHE 35 16.998 -1.420 -0.267 248 HB3 PHE 35 HB3 PHE 35 16.811 -2.322 1.231 249 HD1 PHE 35 HD1 PHE 35 17.639 -2.533 -2.332 250 HD2 PHE 35 HD2 PHE 35 17.277 -4.709 1.312 251 HE1 PHE 35 HE1 PHE 35 18.874 -4.408 -3.331 252 HE2 PHE 35 HE2 PHE 35 18.514 -6.586 0.314 253 HZ PHE 35 HZ PHE 35 19.312 -6.438 -2.010 254 HA PRO 36 HA PRO 36 12.523 -5.893 0.559 255 HB2 PRO 36 HB2 PRO 36 15.139 -7.311 0.110 256 HB3 PRO 36 HB3 PRO 36 13.494 -7.877 -0.214 257 HG2 PRO 36 HG2 PRO 36 15.033 -6.845 -2.165 258 HG3 PRO 36 HG3 PRO 36 13.278 -6.588 -2.122 259 HD2 PRO 36 HD2 PRO 36 15.451 -4.659 -1.676 260 HD3 PRO 36 HD3 PRO 36 13.736 -4.359 -2.010 261 H ARG 37 H ARG 37 12.405 -5.030 2.665 262 HA ARG 37 HA ARG 37 14.239 -6.188 4.671 263 HB2 ARG 37 HB2 ARG 37 14.124 -3.801 4.838 264 HB3 ARG 37 HB3 ARG 37 12.377 -3.809 4.679 265 HG2 ARG 37 HG2 ARG 37 12.203 -4.876 6.904 266 HG3 ARG 37 HG3 ARG 37 13.959 -4.754 7.067 267 HD2 ARG 37 HD2 ARG 37 12.594 -2.893 8.148 268 HD3 ARG 37 HD3 ARG 37 13.893 -2.379 7.067 269 HE ARG 37 HE ARG 37 11.194 -2.632 5.969 270 HH11 ARG 37 HH11 ARG 37 13.678 -0.504 7.096 271 HH12 ARG 37 HH12 ARG 37 13.110 0.816 6.124 272 HH21 ARG 37 HH21 ARG 37 10.506 -0.972 4.762 273 HH22 ARG 37 HH22 ARG 37 11.341 0.550 4.806 274 H LEU 38 H LEU 38 10.771 -5.330 4.421 275 HA LEU 38 HA LEU 38 9.988 -8.084 4.868 276 HB2 LEU 38 HB2 LEU 38 10.350 -7.097 7.173 277 HB3 LEU 38 HB3 LEU 38 9.033 -5.990 6.834 278 HG LEU 38 HG LEU 38 7.486 -7.903 6.605 279 HD11 LEU 38 HD11 LEU 38 9.055 -9.593 5.842 280 HD12 LEU 38 HD12 LEU 38 8.205 -10.147 7.284 281 HD13 LEU 38 HD13 LEU 38 9.870 -9.574 7.407 282 HD21 LEU 38 HD21 LEU 38 9.042 -7.882 9.193 283 HD22 LEU 38 HD22 LEU 38 7.418 -8.536 8.971 284 HD23 LEU 38 HD23 LEU 38 7.706 -6.808 8.768 285 H GLU 39 H GLU 39 9.716 -5.642 3.016 286 HA GLU 39 HA GLU 39 6.940 -4.921 3.026 287 HB2 GLU 39 HB2 GLU 39 9.121 -4.443 0.979 288 HB3 GLU 39 HB3 GLU 39 7.508 -3.757 0.879 289 HG2 GLU 39 HG2 GLU 39 9.069 -2.119 1.730 290 HG3 GLU 39 HG3 GLU 39 7.897 -2.541 2.976 291 H GLU 40 H GLU 40 8.266 -7.779 2.175 292 HA GLU 40 HA GLU 40 6.996 -8.426 -0.277 293 HB2 GLU 40 HB2 GLU 40 7.653 -10.299 2.015 294 HB3 GLU 40 HB3 GLU 40 7.364 -10.755 0.343 295 HG2 GLU 40 HG2 GLU 40 9.392 -9.563 -0.332 296 HG3 GLU 40 HG3 GLU 40 9.687 -9.115 1.350 297 H ARG 41 H ARG 41 5.887 -8.231 3.008 298 HA ARG 41 HA ARG 41 3.524 -9.857 2.593 299 HB2 ARG 41 HB2 ARG 41 4.382 -8.182 4.961 300 HB3 ARG 41 HB3 ARG 41 3.027 -9.300 4.945 301 HG2 ARG 41 HG2 ARG 41 5.937 -10.025 4.602 302 HG3 ARG 41 HG3 ARG 41 4.955 -10.290 6.044 303 HD2 ARG 41 HD2 ARG 41 4.552 -11.554 3.329 304 HD3 ARG 41 HD3 ARG 41 5.153 -12.354 4.782 305 HE ARG 41 HE ARG 41 2.707 -11.354 5.492 306 HH11 ARG 41 HH11 ARG 41 3.857 -13.509 3.060 307 HH12 ARG 41 HH12 ARG 41 2.373 -14.395 2.996 308 HH21 ARG 41 HH21 ARG 41 0.798 -12.494 5.377 309 HH22 ARG 41 HH22 ARG 41 0.674 -13.826 4.285 310 H HIS 42 H HIS 42 1.679 -9.121 1.777 311 HA HIS 42 HA HIS 42 1.259 -6.289 1.327 312 HB2 HIS 42 HB2 HIS 42 -0.607 -8.584 0.690 313 HB3 HIS 42 HB3 HIS 42 -0.620 -6.973 -0.020 314 HD1 HIS 42 HD1 HIS 42 0.666 -10.320 -0.547 315 HD2 HIS 42 HD2 HIS 42 1.795 -6.476 -1.648 316 HE1 HIS 42 HE1 HIS 42 2.287 -10.611 -2.438 317 HE2 HIS 42 HE2 HIS 42 3.131 -8.293 -2.911 318 H GLN 43 H GLN 43 1.166 -7.325 4.115 319 HA GLN 43 HA GLN 43 -1.560 -6.474 4.851 320 HB2 GLN 43 HB2 GLN 43 -0.017 -8.756 6.109 321 HB3 GLN 43 HB3 GLN 43 -1.587 -8.169 6.637 322 HG2 GLN 43 HG2 GLN 43 -2.662 -8.979 4.710 323 HG3 GLN 43 HG3 GLN 43 -1.138 -9.224 3.859 324 HE21 GLN 43 HE21 GLN 43 -3.338 -11.080 4.444 325 HE22 GLN 43 HE22 GLN 43 -2.619 -12.405 5.281 326 H VAL 44 H VAL 44 1.561 -7.320 6.417 327 HA VAL 44 HA VAL 44 1.285 -5.763 8.688 328 HB VAL 44 HB VAL 44 3.724 -5.863 8.944 329 HG11 VAL 44 HG11 VAL 44 3.964 -8.307 8.918 330 HG12 VAL 44 HG12 VAL 44 2.509 -8.433 7.932 331 HG13 VAL 44 HG13 VAL 44 2.407 -7.803 9.576 332 HG21 VAL 44 HG21 VAL 44 5.127 -6.908 7.230 333 HG22 VAL 44 HG22 VAL 44 4.379 -5.428 6.632 334 HG23 VAL 44 HG23 VAL 44 3.741 -6.998 6.143 335 H ILE 45 H ILE 45 2.286 -4.703 5.486 336 HA ILE 45 HA ILE 45 3.499 -2.266 6.043 337 HB ILE 45 HB ILE 45 1.596 -2.852 3.755 338 HG12 ILE 45 HG12 ILE 45 3.430 -4.489 3.878 339 HG13 ILE 45 HG13 ILE 45 3.615 -3.444 2.473 340 HG21 ILE 45 HG21 ILE 45 1.980 -0.470 3.962 341 HG22 ILE 45 HG22 ILE 45 2.852 -1.082 2.555 342 HG23 ILE 45 HG23 ILE 45 3.724 -0.724 4.049 343 HD11 ILE 45 HD11 ILE 45 5.111 -3.193 5.072 344 HD12 ILE 45 HD12 ILE 45 5.300 -2.143 3.666 345 HD13 ILE 45 HD13 ILE 45 5.741 -3.847 3.560 346 H ARG 46 H ARG 46 0.082 -3.101 5.986 347 HA ARG 46 HA ARG 46 -1.066 -0.561 6.276 348 HB2 ARG 46 HB2 ARG 46 -2.266 -2.724 5.797 349 HB3 ARG 46 HB3 ARG 46 -2.053 -3.159 7.488 350 HG2 ARG 46 HG2 ARG 46 -3.373 -1.170 8.132 351 HG3 ARG 46 HG3 ARG 46 -3.628 -0.816 6.420 352 HD2 ARG 46 HD2 ARG 46 -4.586 -3.229 7.968 353 HD3 ARG 46 HD3 ARG 46 -5.572 -1.962 7.237 354 HE ARG 46 HE ARG 46 -4.107 -4.061 5.781 355 HH11 ARG 46 HH11 ARG 46 -6.540 -1.622 5.871 356 HH12 ARG 46 HH12 ARG 46 -7.134 -2.005 4.297 357 HH21 ARG 46 HH21 ARG 46 -4.925 -4.580 3.783 358 HH22 ARG 46 HH22 ARG 46 -6.270 -3.696 3.151 359 H ALA 47 H ALA 47 0.240 -2.817 8.673 360 HA ALA 47 HA ALA 47 -0.492 -1.257 10.959 361 HB1 ALA 47 HB1 ALA 47 1.555 -3.466 10.704 362 HB2 ALA 47 HB2 ALA 47 -0.149 -3.671 11.116 363 HB3 ALA 47 HB3 ALA 47 0.928 -2.809 12.216 364 H TYR 48 H TYR 48 2.516 -1.621 9.082 365 HA TYR 48 HA TYR 48 4.295 -0.215 10.654 366 HB2 TYR 48 HB2 TYR 48 4.062 -0.571 7.686 367 HB3 TYR 48 HB3 TYR 48 5.278 0.528 8.320 368 HD1 TYR 48 HD1 TYR 48 7.002 -0.379 9.940 369 HD2 TYR 48 HD2 TYR 48 4.447 -2.916 7.666 370 HE1 TYR 48 HE1 TYR 48 8.547 -2.256 10.303 371 HE2 TYR 48 HE2 TYR 48 5.990 -4.795 8.024 372 HH TYR 48 HH TYR 48 8.344 -5.167 8.552 373 H VAL 49 H VAL 49 2.281 1.210 8.054 374 HA VAL 49 HA VAL 49 3.146 3.848 8.423 375 HB VAL 49 HB VAL 49 1.113 4.547 7.196 376 HG11 VAL 49 HG11 VAL 49 3.083 3.788 5.970 377 HG12 VAL 49 HG12 VAL 49 1.607 3.339 5.119 378 HG13 VAL 49 HG13 VAL 49 2.500 2.124 6.036 379 HG21 VAL 49 HG21 VAL 49 -0.500 2.975 8.139 380 HG22 VAL 49 HG22 VAL 49 0.339 1.624 7.371 381 HG23 VAL 49 HG23 VAL 49 -0.468 2.841 6.381 382 H MET 50 H MET 50 0.470 2.114 9.986 383 HA MET 50 HA MET 50 -0.550 4.458 11.298 384 HB2 MET 50 HB2 MET 50 -1.084 1.527 11.840 385 HB3 MET 50 HB3 MET 50 -1.986 2.868 12.535 386 HG2 MET 50 HG2 MET 50 -2.667 3.548 10.256 387 HG3 MET 50 HG3 MET 50 -1.835 2.134 9.614 388 HE1 MET 50 HE1 MET 50 -2.554 -0.392 10.219 389 HE2 MET 50 HE2 MET 50 -3.939 -0.789 11.238 390 HE3 MET 50 HE3 MET 50 -2.518 -0.023 11.945 391 H SER 51 H SER 51 1.723 1.924 12.159 392 HA SER 51 HA SER 51 1.772 2.520 14.972 393 HB2 SER 51 HB2 SER 51 2.308 0.269 14.181 394 HB3 SER 51 HB3 SER 51 3.678 0.888 13.266 395 HG SER 51 HG SER 51 4.466 1.651 15.403 396 H ASN 52 H ASN 52 3.078 4.127 12.329 397 HA ASN 52 HA ASN 52 5.128 5.392 14.038 398 HB2 ASN 52 HB2 ASN 52 5.379 4.648 11.119 399 HB3 ASN 52 HB3 ASN 52 6.491 5.737 11.943 400 HD21 ASN 52 HD21 ASN 52 5.368 2.459 11.684 401 HD22 ASN 52 HD22 ASN 52 6.675 1.738 12.555 402 H TYR 53 H TYR 53 2.578 5.896 11.689 403 HA TYR 53 HA TYR 53 3.003 8.803 11.939 404 HB2 TYR 53 HB2 TYR 53 2.222 7.398 9.369 405 HB3 TYR 53 HB3 TYR 53 2.494 9.127 9.579 406 HD1 TYR 53 HD1 TYR 53 4.860 9.828 10.419 407 HD2 TYR 53 HD2 TYR 53 3.998 6.038 8.679 408 HE1 TYR 53 HE1 TYR 53 7.249 9.514 9.934 409 HE2 TYR 53 HE2 TYR 53 6.389 5.711 8.195 410 HH TYR 53 HH TYR 53 8.813 7.564 9.596 411 H THR 54 H THR 54 1.190 10.095 11.977 412 HA THR 54 HA THR 54 -1.395 8.694 12.320 413 HB THR 54 HB THR 54 -2.011 10.479 13.932 414 HG1 THR 54 HG1 THR 54 -0.731 12.194 13.377 415 HG21 THR 54 HG21 THR 54 -1.064 8.406 14.806 416 HG22 THR 54 HG22 THR 54 -0.516 9.778 15.771 417 HG23 THR 54 HG23 THR 54 0.569 9.040 14.592 418 H ASP 55 H ASP 55 -0.166 10.105 9.900 419 HA ASP 55 HA ASP 55 -2.161 12.227 9.505 420 HB2 ASP 55 HB2 ASP 55 0.233 12.725 9.018 421 HB3 ASP 55 HB3 ASP 55 0.197 11.500 7.752 422 H HIS 56 H HIS 56 -3.980 11.785 8.425 423 HA HIS 56 HA HIS 56 -4.422 9.154 7.399 424 HB2 HIS 56 HB2 HIS 56 -6.155 11.606 7.595 425 HB3 HIS 56 HB3 HIS 56 -6.720 10.123 6.826 426 HD1 HIS 56 HD1 HIS 56 -6.907 7.997 8.364 427 HD2 HIS 56 HD2 HIS 56 -6.138 11.556 10.370 428 HE1 HIS 56 HE1 HIS 56 -7.391 7.527 10.779 429 HE2 HIS 56 HE2 HIS 56 -6.673 9.613 11.989 430 H GLN 57 H GLN 57 -3.484 12.127 5.869 431 HA GLN 57 HA GLN 57 -4.313 11.418 3.227 432 HB2 GLN 57 HB2 GLN 57 -2.063 13.246 4.105 433 HB3 GLN 57 HB3 GLN 57 -2.693 13.127 2.467 434 HG2 GLN 57 HG2 GLN 57 -4.874 13.925 3.254 435 HG3 GLN 57 HG3 GLN 57 -4.231 14.056 4.892 436 HE21 GLN 57 HE21 GLN 57 -4.252 15.432 1.704 437 HE22 GLN 57 HE22 GLN 57 -3.452 16.905 2.122 438 H LEU 58 H LEU 58 -1.881 10.250 5.295 439 HA LEU 58 HA LEU 58 -0.473 8.897 3.092 440 HB2 LEU 58 HB2 LEU 58 0.160 8.963 6.055 441 HB3 LEU 58 HB3 LEU 58 1.148 8.210 4.817 442 HG LEU 58 HG LEU 58 0.587 11.176 5.059 443 HD11 LEU 58 HD11 LEU 58 2.064 10.349 6.821 444 HD12 LEU 58 HD12 LEU 58 2.944 11.361 5.676 445 HD13 LEU 58 HD13 LEU 58 3.109 9.606 5.609 446 HD21 LEU 58 HD21 LEU 58 2.262 11.436 3.290 447 HD22 LEU 58 HD22 LEU 58 0.871 10.510 2.728 448 HD23 LEU 58 HD23 LEU 58 2.377 9.684 3.133 449 H ILE 59 H ILE 59 -2.349 8.227 6.037 450 HA ILE 59 HA ILE 59 -2.053 5.441 6.101 451 HB ILE 59 HB ILE 59 -4.407 7.067 7.092 452 HG12 ILE 59 HG12 ILE 59 -2.299 7.835 8.070 453 HG13 ILE 59 HG13 ILE 59 -3.262 6.995 9.279 454 HG21 ILE 59 HG21 ILE 59 -3.511 4.283 7.852 455 HG22 ILE 59 HG22 ILE 59 -4.955 4.694 6.928 456 HG23 ILE 59 HG23 ILE 59 -4.820 5.187 8.616 457 HD11 ILE 59 HD11 ILE 59 -0.908 6.422 9.447 458 HD12 ILE 59 HD12 ILE 59 -0.920 5.836 7.785 459 HD13 ILE 59 HD13 ILE 59 -1.876 5.013 9.020 460 H GLU 60 H GLU 60 -5.074 7.134 5.066 461 HA GLU 60 HA GLU 60 -6.266 4.895 3.925 462 HB2 GLU 60 HB2 GLU 60 -6.637 7.828 3.328 463 HB3 GLU 60 HB3 GLU 60 -7.579 6.590 2.514 464 HG2 GLU 60 HG2 GLU 60 -9.002 7.131 4.210 465 HG3 GLU 60 HG3 GLU 60 -8.120 5.802 4.954 466 H THR 61 H THR 61 -4.056 7.208 2.397 467 HA THR 61 HA THR 61 -4.204 6.298 -0.244 468 HB THR 61 HB THR 61 -1.764 7.359 1.213 469 HG1 THR 61 HG1 THR 61 -2.548 9.309 0.767 470 HG21 THR 61 HG21 THR 61 -1.126 6.230 -0.867 471 HG22 THR 61 HG22 THR 61 -0.937 7.978 -1.021 472 HG23 THR 61 HG23 THR 61 -2.323 7.172 -1.755 473 H THR 62 H THR 62 -2.195 5.134 2.444 474 HA THR 62 HA THR 62 -0.769 3.130 1.075 475 HB THR 62 HB THR 62 -1.641 3.210 3.981 476 HG1 THR 62 HG1 THR 62 -0.252 4.889 3.581 477 HG21 THR 62 HG21 THR 62 -1.069 0.912 3.343 478 HG22 THR 62 HG22 THR 62 0.165 1.593 4.403 479 HG23 THR 62 HG23 THR 62 0.462 1.469 2.670 480 H ASN 63 H ASN 63 -3.875 2.980 2.817 481 HA ASN 63 HA ASN 63 -4.425 0.263 2.497 482 HB2 ASN 63 HB2 ASN 63 -5.783 1.638 3.961 483 HB3 ASN 63 HB3 ASN 63 -6.344 2.605 2.603 484 HD21 ASN 63 HD21 ASN 63 -7.910 1.752 1.221 485 HD22 ASN 63 HD22 ASN 63 -8.822 0.343 1.621 486 H ARG 64 H ARG 64 -5.168 2.976 0.305 487 HA ARG 64 HA ARG 64 -6.606 1.511 -1.610 488 HB2 ARG 64 HB2 ARG 64 -6.645 3.933 -1.647 489 HB3 ARG 64 HB3 ARG 64 -4.912 4.003 -1.963 490 HG2 ARG 64 HG2 ARG 64 -5.243 2.974 -4.140 491 HG3 ARG 64 HG3 ARG 64 -6.967 2.799 -3.823 492 HD2 ARG 64 HD2 ARG 64 -7.223 5.224 -3.768 493 HD3 ARG 64 HD3 ARG 64 -5.489 5.430 -4.014 494 HE ARG 64 HE ARG 64 -5.838 5.126 -6.245 495 HH11 ARG 64 HH11 ARG 64 -8.549 3.802 -4.569 496 HH12 ARG 64 HH12 ARG 64 -9.337 3.304 -6.024 497 HH21 ARG 64 HH21 ARG 64 -6.873 4.494 -8.095 498 HH22 ARG 64 HH22 ARG 64 -8.406 3.698 -7.998 499 H ALA 65 H ALA 65 -3.135 2.368 -1.595 500 HA ALA 65 HA ALA 65 -2.407 1.200 -4.007 501 HB1 ALA 65 HB1 ALA 65 -0.951 2.690 -2.741 502 HB2 ALA 65 HB2 ALA 65 -0.121 1.184 -3.139 503 HB3 ALA 65 HB3 ALA 65 -0.738 1.448 -1.507 504 H ILE 66 H ILE 66 -2.492 -0.304 -0.781 505 HA ILE 66 HA ILE 66 -1.587 -2.869 -1.670 506 HB ILE 66 HB ILE 66 -3.129 -2.145 0.836 507 HG12 ILE 66 HG12 ILE 66 -0.140 -2.473 0.411 508 HG13 ILE 66 HG13 ILE 66 -0.975 -0.935 0.621 509 HG21 ILE 66 HG21 ILE 66 -3.273 -4.528 0.346 510 HG22 ILE 66 HG22 ILE 66 -2.247 -4.245 1.751 511 HG23 ILE 66 HG23 ILE 66 -1.516 -4.618 0.189 512 HD11 ILE 66 HD11 ILE 66 -0.802 -3.143 2.664 513 HD12 ILE 66 HD12 ILE 66 -1.637 -1.602 2.874 514 HD13 ILE 66 HD13 ILE 66 0.114 -1.636 2.670 515 H SER 67 H SER 67 -4.768 -1.405 -1.215 516 HA SER 67 HA SER 67 -6.401 -3.643 -1.178 517 HB2 SER 67 HB2 SER 67 -7.234 -1.382 -0.725 518 HB3 SER 67 HB3 SER 67 -7.020 -0.954 -2.423 519 HG SER 67 HG SER 67 -9.166 -1.529 -2.048 520 H LEU 68 H LEU 68 -5.260 -1.858 -4.053 521 HA LEU 68 HA LEU 68 -6.755 -3.258 -5.962 522 HB2 LEU 68 HB2 LEU 68 -4.160 -1.760 -6.118 523 HB3 LEU 68 HB3 LEU 68 -4.774 -2.611 -7.522 524 HG LEU 68 HG LEU 68 -5.379 -0.274 -7.666 525 HD11 LEU 68 HD11 LEU 68 -7.788 -1.967 -6.998 526 HD12 LEU 68 HD12 LEU 68 -6.982 -1.867 -8.564 527 HD13 LEU 68 HD13 LEU 68 -7.806 -0.455 -7.906 528 HD21 LEU 68 HD21 LEU 68 -6.820 0.820 -6.037 529 HD22 LEU 68 HD22 LEU 68 -5.321 0.278 -5.280 530 HD23 LEU 68 HD23 LEU 68 -6.812 -0.629 -5.031 531 H TYR 69 H TYR 69 -3.663 -4.106 -4.470 532 HA TYR 69 HA TYR 69 -3.321 -6.386 -6.254 533 HB2 TYR 69 HB2 TYR 69 -1.643 -5.348 -3.960 534 HB3 TYR 69 HB3 TYR 69 -1.230 -6.771 -4.921 535 HD1 TYR 69 HD1 TYR 69 -0.593 -6.540 -7.285 536 HD2 TYR 69 HD2 TYR 69 -1.402 -3.117 -4.882 537 HE1 TYR 69 HE1 TYR 69 0.463 -5.104 -8.977 538 HE2 TYR 69 HE2 TYR 69 -0.344 -1.681 -6.569 539 HH TYR 69 HH TYR 69 0.383 -2.748 -9.694 540 H MET 70 H MET 70 -5.296 -5.923 -3.759 541 HA MET 70 HA MET 70 -5.110 -8.744 -2.886 542 HB2 MET 70 HB2 MET 70 -6.397 -6.402 -1.450 543 HB3 MET 70 HB3 MET 70 -6.384 -8.066 -0.876 544 HG2 MET 70 HG2 MET 70 -3.966 -6.309 -1.276 545 HG3 MET 70 HG3 MET 70 -4.707 -6.729 0.269 546 HE1 MET 70 HE1 MET 70 -3.994 -10.588 0.465 547 HE2 MET 70 HE2 MET 70 -5.440 -9.801 -0.163 548 HE3 MET 70 HE3 MET 70 -4.674 -9.197 1.305 549 H ALA 71 H ALA 71 -7.656 -6.236 -3.129 550 HA ALA 71 HA ALA 71 -9.808 -8.003 -3.408 551 HB1 ALA 71 HB1 ALA 71 -10.058 -5.654 -2.770 552 HB2 ALA 71 HB2 ALA 71 -11.100 -6.065 -4.134 553 HB3 ALA 71 HB3 ALA 71 -9.608 -5.160 -4.403 554 H ASN 72 H ASN 72 -8.152 -6.150 -5.990 555 HA ASN 72 HA ASN 72 -9.594 -7.292 -8.136 556 HB2 ASN 72 HB2 ASN 72 -8.376 -5.194 -8.403 557 HB3 ASN 72 HB3 ASN 72 -6.847 -6.009 -8.092 558 HD21 ASN 72 HD21 ASN 72 -5.915 -5.529 -10.031 559 HD22 ASN 72 HD22 ASN 72 -6.453 -6.185 -11.534 560 H LEU 73 H LEU 73 -6.434 -8.095 -6.725 561 HA LEU 73 HA LEU 73 -5.571 -10.033 -8.503 562 HB2 LEU 73 HB2 LEU 73 -4.570 -8.976 -6.236 563 HB3 LEU 73 HB3 LEU 73 -5.079 -10.528 -5.606 564 HG LEU 73 HG LEU 73 -2.713 -10.558 -6.217 565 HD11 LEU 73 HD11 LEU 73 -3.966 -12.644 -6.441 566 HD12 LEU 73 HD12 LEU 73 -2.681 -12.532 -7.643 567 HD13 LEU 73 HD13 LEU 73 -4.357 -12.235 -8.112 568 HD21 LEU 73 HD21 LEU 73 -2.748 -8.846 -7.954 569 HD22 LEU 73 HD22 LEU 73 -3.653 -9.925 -9.018 570 HD23 LEU 73 HD23 LEU 73 -2.000 -10.327 -8.551 571 H GLU 74 H GLU 74 -7.717 -10.432 -5.694 572 HA GLU 74 HA GLU 74 -8.038 -13.210 -5.746 573 HB2 GLU 74 HB2 GLU 74 -9.970 -11.027 -4.932 574 HB3 GLU 74 HB3 GLU 74 -10.254 -12.735 -4.635 575 HG2 GLU 74 HG2 GLU 74 -7.733 -11.464 -3.650 576 HG3 GLU 74 HG3 GLU 74 -9.239 -11.220 -2.771 577 H HIS 75 H HIS 75 -10.275 -10.789 -7.160 578 HA HIS 75 HA HIS 75 -11.811 -12.831 -8.482 579 HB2 HIS 75 HB2 HIS 75 -12.837 -10.772 -7.588 580 HB3 HIS 75 HB3 HIS 75 -11.959 -9.819 -8.780 581 HD1 HIS 75 HD1 HIS 75 -14.393 -12.762 -8.850 582 HD2 HIS 75 HD2 HIS 75 -13.489 -9.303 -10.962 583 HE1 HIS 75 HE1 HIS 75 -16.110 -12.624 -10.671 584 HE2 HIS 75 HE2 HIS 75 -15.654 -10.435 -11.815 585 H HIS 76 H HIS 76 -8.936 -11.268 -9.339 586 HA HIS 76 HA HIS 76 -9.287 -10.965 -12.130 587 HB2 HIS 76 HB2 HIS 76 -7.420 -9.941 -10.842 588 HB3 HIS 76 HB3 HIS 76 -6.709 -11.540 -10.640 589 HD1 HIS 76 HD1 HIS 76 -5.408 -12.505 -12.607 590 HD2 HIS 76 HD2 HIS 76 -7.270 -8.903 -13.499 591 HE1 HIS 76 HE1 HIS 76 -4.489 -11.810 -14.829 592 HE2 HIS 76 HE2 HIS 76 -5.732 -9.710 -15.416 593 H HIS 77 H HIS 77 -8.634 -13.770 -10.156 594 HA HIS 77 HA HIS 77 -7.785 -15.465 -12.324 595 HB2 HIS 77 HB2 HIS 77 -8.862 -16.258 -9.603 596 HB3 HIS 77 HB3 HIS 77 -7.993 -17.304 -10.719 597 HD1 HIS 77 HD1 HIS 77 -5.410 -16.893 -10.948 598 HD2 HIS 77 HD2 HIS 77 -7.288 -14.596 -8.044 599 HE1 HIS 77 HE1 HIS 77 -3.561 -15.944 -9.543 600 HE2 HIS 77 HE2 HIS 77 -4.734 -14.710 -7.693 601 H HIS 78 H HIS 78 -10.696 -15.760 -10.253 602 HA HIS 78 HA HIS 78 -12.190 -17.024 -12.358 603 HB2 HIS 78 HB2 HIS 78 -12.748 -17.755 -10.182 604 HB3 HIS 78 HB3 HIS 78 -12.879 -16.111 -9.567 605 HD1 HIS 78 HD1 HIS 78 -15.244 -15.964 -8.853 606 HD2 HIS 78 HD2 HIS 78 -14.887 -17.624 -12.640 607 HE1 HIS 78 HE1 HIS 78 -17.589 -16.181 -9.714 608 HE2 HIS 78 HE2 HIS 78 -17.326 -16.973 -12.080 609 H HIS 79 H HIS 79 -12.248 -15.541 -14.057 610 HA HIS 79 HA HIS 79 -13.341 -12.931 -13.850 611 HB2 HIS 79 HB2 HIS 79 -13.584 -13.078 -16.324 612 HB3 HIS 79 HB3 HIS 79 -11.977 -13.522 -15.759 613 HD1 HIS 79 HD1 HIS 79 -11.202 -15.931 -16.171 614 HD2 HIS 79 HD2 HIS 79 -15.110 -15.220 -17.397 615 HE1 HIS 79 HE1 HIS 79 -11.863 -17.947 -17.513 616 HE2 HIS 79 HE2 HIS 79 -14.165 -17.420 -18.375 617 H HIS 80 H HIS 80 -15.412 -12.156 -14.412 618 HA HIS 80 HA HIS 80 -17.676 -12.102 -14.472 619 HB2 HIS 80 HB2 HIS 80 -17.559 -13.613 -16.379 620 HB3 HIS 80 HB3 HIS 80 -17.431 -15.007 -15.314 621 HD1 HIS 80 HD1 HIS 80 -19.916 -12.329 -16.323 622 HD2 HIS 80 HD2 HIS 80 -19.829 -16.076 -14.528 623 HE1 HIS 80 HE1 HIS 80 -22.312 -13.025 -16.104 624 HE2 HIS 80 HE2 HIS 80 -22.239 -15.198 -14.843 Start of MODEL 13 1 H1 MET 1 H1 MET 1 10.790 -13.910 -0.883 2 H2 MET 1 H2 MET 1 11.218 -12.729 0.248 3 H3 MET 1 H3 MET 1 12.274 -13.101 -1.022 4 HA MET 1 HA MET 1 9.578 -11.900 -1.328 5 HB2 MET 1 HB2 MET 1 10.674 -9.815 -1.797 6 HB3 MET 1 HB3 MET 1 11.300 -10.414 -0.269 7 HG2 MET 1 HG2 MET 1 12.675 -10.538 -2.947 8 HG3 MET 1 HG3 MET 1 13.092 -9.497 -1.587 9 HE1 MET 1 HE1 MET 1 15.620 -10.341 -1.835 10 HE2 MET 1 HE2 MET 1 15.149 -11.411 -3.158 11 HE3 MET 1 HE3 MET 1 16.083 -12.042 -1.801 12 H ALA 2 H ALA 2 11.021 -14.226 -2.679 13 HA ALA 2 HA ALA 2 12.017 -13.416 -5.187 14 HB1 ALA 2 HB1 ALA 2 10.888 -16.095 -4.390 15 HB2 ALA 2 HB2 ALA 2 12.548 -15.559 -4.129 16 HB3 ALA 2 HB3 ALA 2 11.939 -15.770 -5.771 17 H GLY 3 H GLY 3 8.753 -13.783 -4.098 18 HA2 GLY 3 HA2 GLY 3 7.640 -14.274 -6.733 19 HA3 GLY 3 HA3 GLY 3 6.741 -14.011 -5.249 20 H ASP 4 H ASP 4 6.539 -11.774 -4.480 21 HA ASP 4 HA ASP 4 7.163 -9.623 -6.293 22 HB2 ASP 4 HB2 ASP 4 4.666 -8.938 -6.423 23 HB3 ASP 4 HB3 ASP 4 5.247 -10.201 -7.500 24 HA PRO 5 HA PRO 5 6.853 -8.108 -1.998 25 HB2 PRO 5 HB2 PRO 5 9.288 -7.026 -1.799 26 HB3 PRO 5 HB3 PRO 5 9.053 -8.774 -1.726 27 HG2 PRO 5 HG2 PRO 5 10.041 -7.090 -3.990 28 HG3 PRO 5 HG3 PRO 5 10.571 -8.701 -3.477 29 HD2 PRO 5 HD2 PRO 5 8.783 -8.150 -5.567 30 HD3 PRO 5 HD3 PRO 5 9.011 -9.729 -4.789 31 H MET 6 H MET 6 8.498 -6.094 -4.509 32 HA MET 6 HA MET 6 7.665 -3.686 -3.090 33 HB2 MET 6 HB2 MET 6 9.513 -4.091 -5.448 34 HB3 MET 6 HB3 MET 6 9.195 -2.536 -4.686 35 HG2 MET 6 HG2 MET 6 10.132 -3.363 -2.591 36 HG3 MET 6 HG3 MET 6 10.427 -4.934 -3.335 37 HE1 MET 6 HE1 MET 6 12.523 -1.075 -4.764 38 HE2 MET 6 HE2 MET 6 11.343 -1.089 -3.451 39 HE3 MET 6 HE3 MET 6 10.836 -1.462 -5.098 40 H THR 7 H THR 7 5.626 -5.194 -4.625 41 HA THR 7 HA THR 7 4.973 -3.940 -7.053 42 HB THR 7 HB THR 7 2.620 -4.632 -6.596 43 HG1 THR 7 HG1 THR 7 2.825 -6.116 -4.483 44 HG21 THR 7 HG21 THR 7 4.729 -6.720 -6.006 45 HG22 THR 7 HG22 THR 7 4.166 -6.228 -7.603 46 HG23 THR 7 HG23 THR 7 3.068 -7.055 -6.499 47 H PHE 8 H PHE 8 3.851 -3.185 -3.761 48 HA PHE 8 HA PHE 8 2.256 -1.004 -4.167 49 HB2 PHE 8 HB2 PHE 8 2.581 -1.977 -1.976 50 HB3 PHE 8 HB3 PHE 8 4.268 -1.481 -1.956 51 HD1 PHE 8 HD1 PHE 8 0.796 -0.150 -1.993 52 HD2 PHE 8 HD2 PHE 8 4.885 0.595 -1.066 53 HE1 PHE 8 HE1 PHE 8 0.161 1.951 -0.886 54 HE2 PHE 8 HE2 PHE 8 4.252 2.698 0.043 55 HZ PHE 8 HZ PHE 8 1.888 3.378 0.131 56 H TYR 9 H TYR 9 5.797 -1.023 -4.165 57 HA TYR 9 HA TYR 9 6.192 1.767 -4.130 58 HB2 TYR 9 HB2 TYR 9 7.992 0.172 -3.631 59 HB3 TYR 9 HB3 TYR 9 7.973 -0.388 -5.300 60 HD1 TYR 9 HD1 TYR 9 8.384 2.771 -3.336 61 HD2 TYR 9 HD2 TYR 9 9.517 0.543 -6.786 62 HE1 TYR 9 HE1 TYR 9 10.029 4.501 -3.911 63 HE2 TYR 9 HE2 TYR 9 11.168 2.272 -7.367 64 HH TYR 9 HH TYR 9 11.587 4.640 -6.935 65 H ASN 10 H ASN 10 5.685 -0.489 -6.810 66 HA ASN 10 HA ASN 10 6.113 1.541 -8.826 67 HB2 ASN 10 HB2 ASN 10 6.610 -0.896 -9.196 68 HB3 ASN 10 HB3 ASN 10 4.876 -1.204 -9.171 69 HD21 ASN 10 HD21 ASN 10 3.622 -0.540 -10.927 70 HD22 ASN 10 HD22 ASN 10 4.320 -0.024 -12.417 71 H PHE 11 H PHE 11 3.420 0.268 -7.030 72 HA PHE 11 HA PHE 11 1.296 1.103 -8.692 73 HB2 PHE 11 HB2 PHE 11 1.002 -0.467 -6.818 74 HB3 PHE 11 HB3 PHE 11 1.360 0.821 -5.673 75 HD1 PHE 11 HD1 PHE 11 -1.098 -0.407 -8.138 76 HD2 PHE 11 HD2 PHE 11 -0.314 2.409 -5.037 77 HE1 PHE 11 HE1 PHE 11 -3.486 0.177 -8.067 78 HE2 PHE 11 HE2 PHE 11 -2.703 2.995 -4.964 79 HZ PHE 11 HZ PHE 11 -4.291 1.881 -6.482 80 H ILE 12 H ILE 12 2.912 2.749 -5.974 81 HA ILE 12 HA ILE 12 1.367 5.173 -6.373 82 HB ILE 12 HB ILE 12 2.040 4.403 -4.106 83 HG12 ILE 12 HG12 ILE 12 2.743 6.621 -3.252 84 HG13 ILE 12 HG13 ILE 12 3.135 7.123 -4.892 85 HG21 ILE 12 HG21 ILE 12 4.828 5.157 -4.992 86 HG22 ILE 12 HG22 ILE 12 4.251 3.534 -4.618 87 HG23 ILE 12 HG23 ILE 12 4.352 4.749 -3.343 88 HD11 ILE 12 HD11 ILE 12 0.399 6.383 -3.878 89 HD12 ILE 12 HD12 ILE 12 0.787 6.890 -5.523 90 HD13 ILE 12 HD13 ILE 12 0.996 8.016 -4.180 91 H MET 13 H MET 13 4.117 3.864 -7.790 92 HA MET 13 HA MET 13 5.753 6.142 -8.167 93 HB2 MET 13 HB2 MET 13 6.386 3.707 -8.533 94 HB3 MET 13 HB3 MET 13 5.515 3.786 -10.056 95 HG2 MET 13 HG2 MET 13 7.865 5.524 -9.321 96 HG3 MET 13 HG3 MET 13 7.959 4.060 -10.295 97 HE1 MET 13 HE1 MET 13 5.241 4.336 -12.065 98 HE2 MET 13 HE2 MET 13 6.811 3.790 -12.656 99 HE3 MET 13 HE3 MET 13 5.952 5.078 -13.498 100 H GLY 14 H GLY 14 5.789 7.706 -9.775 101 HA2 GLY 14 HA2 GLY 14 5.036 8.632 -11.870 102 HA3 GLY 14 HA3 GLY 14 3.554 7.698 -11.710 103 H PHE 15 H PHE 15 2.723 8.288 -9.163 104 HA PHE 15 HA PHE 15 1.623 10.879 -9.336 105 HB2 PHE 15 HB2 PHE 15 1.970 9.081 -6.918 106 HB3 PHE 15 HB3 PHE 15 0.990 10.543 -6.936 107 HD1 PHE 15 HD1 PHE 15 -1.110 10.624 -8.170 108 HD2 PHE 15 HD2 PHE 15 1.224 7.064 -8.021 109 HE1 PHE 15 HE1 PHE 15 -3.041 9.329 -8.975 110 HE2 PHE 15 HE2 PHE 15 -0.702 5.764 -8.826 111 HZ PHE 15 HZ PHE 15 -2.839 6.894 -9.303 112 H GLN 16 H GLN 16 4.528 9.660 -7.811 113 HA GLN 16 HA GLN 16 5.309 11.947 -6.370 114 HB2 GLN 16 HB2 GLN 16 6.335 9.776 -6.007 115 HB3 GLN 16 HB3 GLN 16 6.954 9.750 -7.651 116 HG2 GLN 16 HG2 GLN 16 8.719 10.257 -6.070 117 HG3 GLN 16 HG3 GLN 16 8.427 11.630 -7.134 118 HE21 GLN 16 HE21 GLN 16 9.365 13.053 -5.673 119 HE22 GLN 16 HE22 GLN 16 8.562 13.534 -4.218 120 H ASN 17 H ASN 17 5.354 11.293 -9.770 121 HA ASN 17 HA ASN 17 7.406 13.216 -10.441 122 HB2 ASN 17 HB2 ASN 17 5.426 11.782 -12.232 123 HB3 ASN 17 HB3 ASN 17 6.845 12.679 -12.770 124 HD21 ASN 17 HD21 ASN 17 7.758 10.894 -13.753 125 HD22 ASN 17 HD22 ASN 17 8.415 9.571 -12.859 126 H ASP 18 H ASP 18 4.193 13.500 -9.566 127 HA ASP 18 HA ASP 18 4.008 16.178 -10.800 128 HB2 ASP 18 HB2 ASP 18 2.437 14.587 -11.882 129 HB3 ASP 18 HB3 ASP 18 1.722 14.239 -10.313 130 H ASN 19 H ASN 19 3.324 17.838 -9.409 131 HA ASN 19 HA ASN 19 3.774 17.442 -6.643 132 HB2 ASN 19 HB2 ASN 19 2.516 19.776 -8.106 133 HB3 ASN 19 HB3 ASN 19 2.907 19.792 -6.388 134 HD21 ASN 19 HD21 ASN 19 4.173 19.844 -9.609 135 HD22 ASN 19 HD22 ASN 19 5.799 20.236 -9.181 136 H THR 20 H THR 20 2.399 15.788 -5.965 137 HA THR 20 HA THR 20 -0.460 16.499 -5.659 138 HB THR 20 HB THR 20 -1.014 14.101 -5.789 139 HG1 THR 20 HG1 THR 20 1.586 13.523 -6.735 140 HG21 THR 20 HG21 THR 20 0.593 15.055 -8.168 141 HG22 THR 20 HG22 THR 20 -1.116 15.380 -7.862 142 HG23 THR 20 HG23 THR 20 -0.575 13.733 -8.183 143 HA PRO 21 HA PRO 21 -0.092 15.748 -1.232 144 HB2 PRO 21 HB2 PRO 21 -2.567 14.094 -1.551 145 HB3 PRO 21 HB3 PRO 21 -2.230 15.417 -0.424 146 HG2 PRO 21 HG2 PRO 21 -3.797 15.813 -2.539 147 HG3 PRO 21 HG3 PRO 21 -2.639 17.057 -2.028 148 HD2 PRO 21 HD2 PRO 21 -2.464 15.121 -4.311 149 HD3 PRO 21 HD3 PRO 21 -1.952 16.821 -4.231 150 H PHE 22 H PHE 22 -0.730 13.077 -3.445 151 HA PHE 22 HA PHE 22 -0.047 10.938 -1.720 152 HB2 PHE 22 HB2 PHE 22 0.206 11.058 -4.740 153 HB3 PHE 22 HB3 PHE 22 0.157 9.598 -3.760 154 HD1 PHE 22 HD1 PHE 22 -1.948 8.933 -2.629 155 HD2 PHE 22 HD2 PHE 22 -1.791 12.222 -5.329 156 HE1 PHE 22 HE1 PHE 22 -4.399 8.878 -2.837 157 HE2 PHE 22 HE2 PHE 22 -4.239 12.171 -5.540 158 HZ PHE 22 HZ PHE 22 -5.547 10.500 -4.292 159 H GLY 23 H GLY 23 1.856 13.161 -3.611 160 HA2 GLY 23 HA2 GLY 23 4.284 11.800 -3.836 161 HA3 GLY 23 HA3 GLY 23 4.108 13.544 -3.763 162 H ILE 24 H ILE 24 2.867 13.305 -1.016 163 HA ILE 24 HA ILE 24 5.247 13.572 0.516 164 HB ILE 24 HB ILE 24 2.418 13.166 1.529 165 HG12 ILE 24 HG12 ILE 24 2.539 15.084 0.010 166 HG13 ILE 24 HG13 ILE 24 2.330 15.634 1.668 167 HG21 ILE 24 HG21 ILE 24 3.225 14.325 3.558 168 HG22 ILE 24 HG22 ILE 24 4.859 14.319 2.893 169 HG23 ILE 24 HG23 ILE 24 4.059 12.796 3.281 170 HD11 ILE 24 HD11 ILE 24 4.936 15.599 0.156 171 HD12 ILE 24 HD12 ILE 24 4.690 16.193 1.798 172 HD13 ILE 24 HD13 ILE 24 3.919 17.010 0.439 173 H LEU 25 H LEU 25 3.010 10.910 -0.013 174 HA LEU 25 HA LEU 25 4.289 9.202 1.954 175 HB2 LEU 25 HB2 LEU 25 1.809 9.193 1.327 176 HB3 LEU 25 HB3 LEU 25 2.279 8.393 -0.156 177 HG LEU 25 HG LEU 25 1.386 6.893 1.658 178 HD11 LEU 25 HD11 LEU 25 4.185 6.293 0.710 179 HD12 LEU 25 HD12 LEU 25 2.695 5.975 -0.173 180 HD13 LEU 25 HD13 LEU 25 3.028 5.117 1.329 181 HD21 LEU 25 HD21 LEU 25 4.020 7.515 2.997 182 HD22 LEU 25 HD22 LEU 25 2.858 6.292 3.510 183 HD23 LEU 25 HD23 LEU 25 2.424 7.999 3.572 184 H ALA 26 H ALA 26 4.050 9.386 -1.596 185 HA ALA 26 HA ALA 26 5.613 7.168 -2.260 186 HB1 ALA 26 HB1 ALA 26 5.360 9.759 -3.789 187 HB2 ALA 26 HB2 ALA 26 4.234 8.403 -3.870 188 HB3 ALA 26 HB3 ALA 26 5.890 8.209 -4.445 189 H GLU 27 H GLU 27 6.624 10.541 -1.720 190 HA GLU 27 HA GLU 27 9.350 10.166 -2.363 191 HB2 GLU 27 HB2 GLU 27 8.095 12.357 -2.209 192 HB3 GLU 27 HB3 GLU 27 8.228 12.233 -0.461 193 HG2 GLU 27 HG2 GLU 27 10.610 12.401 -0.555 194 HG3 GLU 27 HG3 GLU 27 10.605 12.256 -2.312 195 H HIS 28 H HIS 28 7.562 9.194 0.392 196 HA HIS 28 HA HIS 28 9.926 8.963 2.077 197 HB2 HIS 28 HB2 HIS 28 7.861 9.608 3.187 198 HB3 HIS 28 HB3 HIS 28 7.058 8.153 2.595 199 HD1 HIS 28 HD1 HIS 28 10.053 9.046 4.789 200 HD2 HIS 28 HD2 HIS 28 7.192 6.063 4.329 201 HE1 HIS 28 HE1 HIS 28 10.465 7.421 6.651 202 HE2 HIS 28 HE2 HIS 28 8.629 5.721 6.452 203 H VAL 29 H VAL 29 7.705 6.790 0.301 204 HA VAL 29 HA VAL 29 8.953 4.394 1.234 205 HB VAL 29 HB VAL 29 7.767 3.209 -0.542 206 HG11 VAL 29 HG11 VAL 29 5.480 3.800 0.096 207 HG12 VAL 29 HG12 VAL 29 6.054 5.326 0.768 208 HG13 VAL 29 HG13 VAL 29 6.556 3.799 1.494 209 HG21 VAL 29 HG21 VAL 29 6.986 5.945 -1.560 210 HG22 VAL 29 HG22 VAL 29 6.353 4.407 -2.153 211 HG23 VAL 29 HG23 VAL 29 8.059 4.801 -2.366 212 H SER 30 H SER 30 9.745 6.667 -1.252 213 HA SER 30 HA SER 30 11.852 4.922 -2.327 214 HB2 SER 30 HB2 SER 30 10.438 6.297 -3.883 215 HB3 SER 30 HB3 SER 30 11.124 7.747 -3.156 216 HG SER 30 HG SER 30 12.347 5.816 -4.801 217 H GLU 31 H GLU 31 11.630 6.506 0.386 218 HA GLU 31 HA GLU 31 14.060 8.136 0.256 219 HB2 GLU 31 HB2 GLU 31 12.188 9.177 1.349 220 HB3 GLU 31 HB3 GLU 31 11.942 7.774 2.378 221 HG2 GLU 31 HG2 GLU 31 14.118 8.230 3.464 222 HG3 GLU 31 HG3 GLU 31 14.269 9.691 2.485 223 H ASP 32 H ASP 32 12.755 5.674 2.535 224 HA ASP 32 HA ASP 32 15.545 5.036 3.239 225 HB2 ASP 32 HB2 ASP 32 14.106 5.925 5.073 226 HB3 ASP 32 HB3 ASP 32 13.068 4.511 4.903 227 H LYS 33 H LYS 33 16.034 3.484 1.746 228 HA LYS 33 HA LYS 33 14.580 0.925 2.006 229 HB2 LYS 33 HB2 LYS 33 16.418 1.895 -0.202 230 HB3 LYS 33 HB3 LYS 33 15.717 0.285 -0.126 231 HG2 LYS 33 HG2 LYS 33 13.475 1.242 -0.292 232 HG3 LYS 33 HG3 LYS 33 14.164 2.863 -0.332 233 HD2 LYS 33 HD2 LYS 33 13.621 2.237 -2.577 234 HD3 LYS 33 HD3 LYS 33 15.376 2.221 -2.424 235 HE2 LYS 33 HE2 LYS 33 13.691 -0.263 -2.150 236 HE3 LYS 33 HE3 LYS 33 14.322 0.292 -3.695 237 HZ1 LYS 33 HZ1 LYS 33 15.773 -1.351 -2.787 238 HZ2 LYS 33 HZ2 LYS 33 15.919 -0.517 -1.325 239 HZ3 LYS 33 HZ3 LYS 33 16.569 0.137 -2.743 240 H ALA 34 H ALA 34 17.134 2.513 3.255 241 HA ALA 34 HA ALA 34 19.309 0.761 3.163 242 HB1 ALA 34 HB1 ALA 34 18.484 2.574 5.434 243 HB2 ALA 34 HB2 ALA 34 19.449 3.046 4.035 244 HB3 ALA 34 HB3 ALA 34 20.087 1.879 5.192 245 H PHE 35 H PHE 35 16.412 0.687 5.167 246 HA PHE 35 HA PHE 35 17.368 -1.641 6.645 247 HB2 PHE 35 HB2 PHE 35 16.077 0.100 7.832 248 HB3 PHE 35 HB3 PHE 35 14.697 -0.208 6.783 249 HD1 PHE 35 HD1 PHE 35 16.870 -1.718 9.378 250 HD2 PHE 35 HD2 PHE 35 13.185 -1.966 7.250 251 HE1 PHE 35 HE1 PHE 35 16.091 -3.454 10.935 252 HE2 PHE 35 HE2 PHE 35 12.401 -3.704 8.805 253 HZ PHE 35 HZ PHE 35 13.855 -4.449 10.648 254 HA PRO 36 HA PRO 36 15.778 -4.304 3.388 255 HB2 PRO 36 HB2 PRO 36 16.229 -6.430 5.415 256 HB3 PRO 36 HB3 PRO 36 16.859 -6.289 3.771 257 HG2 PRO 36 HG2 PRO 36 18.438 -5.862 5.885 258 HG3 PRO 36 HG3 PRO 36 18.592 -4.882 4.412 259 HD2 PRO 36 HD2 PRO 36 17.266 -4.196 7.017 260 HD3 PRO 36 HD3 PRO 36 18.296 -3.190 5.976 261 H ARG 37 H ARG 37 13.586 -3.932 3.233 262 HA ARG 37 HA ARG 37 11.777 -5.004 5.250 263 HB2 ARG 37 HB2 ARG 37 11.293 -3.491 2.676 264 HB3 ARG 37 HB3 ARG 37 9.987 -4.125 3.670 265 HG2 ARG 37 HG2 ARG 37 12.024 -2.045 4.472 266 HG3 ARG 37 HG3 ARG 37 10.307 -1.789 4.156 267 HD2 ARG 37 HD2 ARG 37 11.580 -3.272 6.447 268 HD3 ARG 37 HD3 ARG 37 10.527 -1.859 6.511 269 HE ARG 37 HE ARG 37 8.863 -3.583 5.437 270 HH11 ARG 37 HH11 ARG 37 11.072 -4.090 8.036 271 HH12 ARG 37 HH12 ARG 37 10.141 -5.373 8.718 272 HH21 ARG 37 HH21 ARG 37 7.696 -5.225 6.294 273 HH22 ARG 37 HH22 ARG 37 8.248 -6.028 7.735 274 H LEU 38 H LEU 38 11.135 -5.254 1.792 275 HA LEU 38 HA LEU 38 10.617 -7.007 0.440 276 HB2 LEU 38 HB2 LEU 38 12.902 -8.219 2.000 277 HB3 LEU 38 HB3 LEU 38 12.201 -8.958 0.575 278 HG LEU 38 HG LEU 38 14.190 -7.868 -0.129 279 HD11 LEU 38 HD11 LEU 38 13.399 -6.217 -1.734 280 HD12 LEU 38 HD12 LEU 38 11.865 -6.093 -0.868 281 HD13 LEU 38 HD13 LEU 38 12.315 -7.607 -1.656 282 HD21 LEU 38 HD21 LEU 38 14.663 -5.500 0.261 283 HD22 LEU 38 HD22 LEU 38 14.527 -6.389 1.778 284 HD23 LEU 38 HD23 LEU 38 13.198 -5.364 1.233 285 H GLU 39 H GLU 39 9.151 -6.873 2.997 286 HA GLU 39 HA GLU 39 8.729 -9.391 4.141 287 HB2 GLU 39 HB2 GLU 39 6.530 -8.502 4.899 288 HB3 GLU 39 HB3 GLU 39 7.881 -7.437 5.251 289 HG2 GLU 39 HG2 GLU 39 6.174 -7.031 2.812 290 HG3 GLU 39 HG3 GLU 39 5.698 -6.402 4.389 291 H GLU 40 H GLU 40 7.400 -7.984 1.227 292 HA GLU 40 HA GLU 40 6.566 -8.989 -0.634 293 HB2 GLU 40 HB2 GLU 40 8.007 -10.905 -0.177 294 HB3 GLU 40 HB3 GLU 40 6.810 -11.568 0.927 295 HG2 GLU 40 HG2 GLU 40 5.256 -11.895 -0.910 296 HG3 GLU 40 HG3 GLU 40 6.400 -11.157 -2.033 297 H ARG 41 H ARG 41 5.076 -10.368 2.309 298 HA ARG 41 HA ARG 41 2.491 -10.635 1.150 299 HB2 ARG 41 HB2 ARG 41 3.331 -10.534 4.057 300 HB3 ARG 41 HB3 ARG 41 1.741 -11.020 3.481 301 HG2 ARG 41 HG2 ARG 41 2.713 -12.921 2.311 302 HG3 ARG 41 HG3 ARG 41 4.330 -12.419 2.813 303 HD2 ARG 41 HD2 ARG 41 3.703 -12.736 5.159 304 HD3 ARG 41 HD3 ARG 41 2.082 -13.224 4.666 305 HE ARG 41 HE ARG 41 3.235 -15.122 3.493 306 HH11 ARG 41 HH11 ARG 41 4.681 -13.589 6.219 307 HH12 ARG 41 HH12 ARG 41 5.554 -15.010 6.686 308 HH21 ARG 41 HH21 ARG 41 4.339 -16.948 4.131 309 HH22 ARG 41 HH22 ARG 41 5.348 -16.882 5.535 310 H HIS 42 H HIS 42 0.632 -9.365 1.395 311 HA HIS 42 HA HIS 42 1.192 -6.535 1.408 312 HB2 HIS 42 HB2 HIS 42 -1.461 -7.955 1.087 313 HB3 HIS 42 HB3 HIS 42 -1.133 -6.271 0.704 314 HD1 HIS 42 HD1 HIS 42 -1.399 -9.478 -0.847 315 HD2 HIS 42 HD2 HIS 42 0.944 -6.100 -1.472 316 HE1 HIS 42 HE1 HIS 42 -0.563 -9.664 -3.205 317 HE2 HIS 42 HE2 HIS 42 0.974 -7.705 -3.498 318 H GLN 43 H GLN 43 -0.759 -8.707 3.448 319 HA GLN 43 HA GLN 43 -2.263 -6.774 4.776 320 HB2 GLN 43 HB2 GLN 43 -2.816 -9.153 4.786 321 HB3 GLN 43 HB3 GLN 43 -1.396 -9.498 5.763 322 HG2 GLN 43 HG2 GLN 43 -2.328 -8.215 7.610 323 HG3 GLN 43 HG3 GLN 43 -3.734 -7.805 6.631 324 HE21 GLN 43 HE21 GLN 43 -3.937 -10.458 5.446 325 HE22 GLN 43 HE22 GLN 43 -4.544 -11.493 6.679 326 H VAL 44 H VAL 44 0.970 -7.943 5.564 327 HA VAL 44 HA VAL 44 1.001 -7.087 8.269 328 HB VAL 44 HB VAL 44 3.431 -7.470 8.180 329 HG11 VAL 44 HG11 VAL 44 3.348 -9.850 7.667 330 HG12 VAL 44 HG12 VAL 44 1.847 -9.626 6.770 331 HG13 VAL 44 HG13 VAL 44 1.882 -9.353 8.513 332 HG21 VAL 44 HG21 VAL 44 2.980 -7.920 5.221 333 HG22 VAL 44 HG22 VAL 44 4.481 -8.252 6.089 334 HG23 VAL 44 HG23 VAL 44 3.890 -6.596 5.948 335 H ILE 45 H ILE 45 1.460 -5.286 5.354 336 HA ILE 45 HA ILE 45 3.371 -3.398 6.274 337 HB ILE 45 HB ILE 45 1.351 -3.096 4.040 338 HG12 ILE 45 HG12 ILE 45 4.217 -4.098 3.966 339 HG13 ILE 45 HG13 ILE 45 2.784 -5.107 3.807 340 HG21 ILE 45 HG21 ILE 45 2.910 -1.443 3.115 341 HG22 ILE 45 HG22 ILE 45 3.949 -1.628 4.529 342 HG23 ILE 45 HG23 ILE 45 2.329 -0.952 4.707 343 HD11 ILE 45 HD11 ILE 45 2.202 -3.966 1.738 344 HD12 ILE 45 HD12 ILE 45 3.818 -4.666 1.655 345 HD13 ILE 45 HD13 ILE 45 3.621 -2.930 1.903 346 H ARG 46 H ARG 46 -0.080 -3.584 6.713 347 HA ARG 46 HA ARG 46 -0.790 -0.895 6.917 348 HB2 ARG 46 HB2 ARG 46 -2.413 -2.750 6.832 349 HB3 ARG 46 HB3 ARG 46 -1.954 -3.223 8.463 350 HG2 ARG 46 HG2 ARG 46 -2.724 -0.993 9.265 351 HG3 ARG 46 HG3 ARG 46 -3.301 -0.654 7.633 352 HD2 ARG 46 HD2 ARG 46 -4.250 -2.841 9.489 353 HD3 ARG 46 HD3 ARG 46 -5.150 -1.413 8.982 354 HE ARG 46 HE ARG 46 -4.497 -3.728 7.300 355 HH11 ARG 46 HH11 ARG 46 -6.332 -0.875 7.861 356 HH12 ARG 46 HH12 ARG 46 -7.372 -1.151 6.508 357 HH21 ARG 46 HH21 ARG 46 -5.840 -4.087 5.593 358 HH22 ARG 46 HH22 ARG 46 -7.090 -2.948 5.230 359 H ALA 47 H ALA 47 0.665 -2.985 9.356 360 HA ALA 47 HA ALA 47 -0.022 -1.517 11.653 361 HB1 ALA 47 HB1 ALA 47 2.352 -3.334 11.242 362 HB2 ALA 47 HB2 ALA 47 0.730 -3.840 11.719 363 HB3 ALA 47 HB3 ALA 47 1.690 -2.825 12.797 364 H TYR 48 H TYR 48 2.307 -0.737 9.251 365 HA TYR 48 HA TYR 48 4.046 0.732 11.049 366 HB2 TYR 48 HB2 TYR 48 4.053 0.428 8.041 367 HB3 TYR 48 HB3 TYR 48 5.259 1.353 8.939 368 HD1 TYR 48 HD1 TYR 48 6.586 0.121 10.755 369 HD2 TYR 48 HD2 TYR 48 4.321 -1.906 7.769 370 HE1 TYR 48 HE1 TYR 48 7.850 -1.934 11.201 371 HE2 TYR 48 HE2 TYR 48 5.579 -3.970 8.218 372 HH TYR 48 HH TYR 48 7.771 -4.628 9.168 373 H VAL 49 H VAL 49 1.759 1.617 8.438 374 HA VAL 49 HA VAL 49 2.087 4.422 8.862 375 HB VAL 49 HB VAL 49 0.009 4.685 7.501 376 HG11 VAL 49 HG11 VAL 49 2.219 4.600 6.459 377 HG12 VAL 49 HG12 VAL 49 1.006 3.851 5.421 378 HG13 VAL 49 HG13 VAL 49 2.114 2.842 6.351 379 HG21 VAL 49 HG21 VAL 49 -1.162 2.641 8.175 380 HG22 VAL 49 HG22 VAL 49 0.079 1.659 7.396 381 HG23 VAL 49 HG23 VAL 49 -0.967 2.696 6.423 382 H MET 50 H MET 50 -0.370 2.076 9.951 383 HA MET 50 HA MET 50 -1.724 4.040 11.583 384 HB2 MET 50 HB2 MET 50 -1.970 1.026 11.431 385 HB3 MET 50 HB3 MET 50 -2.964 2.036 12.473 386 HG2 MET 50 HG2 MET 50 -3.864 3.192 10.528 387 HG3 MET 50 HG3 MET 50 -2.837 2.229 9.467 388 HE1 MET 50 HE1 MET 50 -6.079 2.546 9.232 389 HE2 MET 50 HE2 MET 50 -6.496 0.892 8.790 390 HE3 MET 50 HE3 MET 50 -5.081 1.663 8.076 391 H SER 51 H SER 51 0.454 4.623 12.508 392 HA SER 51 HA SER 51 0.723 3.865 15.186 393 HB2 SER 51 HB2 SER 51 1.596 1.726 14.364 394 HB3 SER 51 HB3 SER 51 2.775 2.570 13.359 395 HG SER 51 HG SER 51 2.973 1.849 15.930 396 H ASN 52 H ASN 52 2.968 4.603 12.492 397 HA ASN 52 HA ASN 52 4.232 6.682 14.088 398 HB2 ASN 52 HB2 ASN 52 4.829 5.776 11.257 399 HB3 ASN 52 HB3 ASN 52 5.814 6.879 12.218 400 HD21 ASN 52 HD21 ASN 52 4.909 3.593 11.682 401 HD22 ASN 52 HD22 ASN 52 6.067 2.888 12.750 402 H TYR 53 H TYR 53 2.322 6.494 11.091 403 HA TYR 53 HA TYR 53 2.358 9.425 10.881 404 HB2 TYR 53 HB2 TYR 53 1.324 7.413 8.865 405 HB3 TYR 53 HB3 TYR 53 1.664 9.125 8.589 406 HD1 TYR 53 HD1 TYR 53 4.093 9.912 8.828 407 HD2 TYR 53 HD2 TYR 53 3.012 5.801 8.570 408 HE1 TYR 53 HE1 TYR 53 6.414 9.343 8.248 409 HE2 TYR 53 HE2 TYR 53 5.328 5.221 7.987 410 HH TYR 53 HH TYR 53 7.915 7.371 8.388 411 H THR 54 H THR 54 0.621 10.636 11.378 412 HA THR 54 HA THR 54 -1.659 9.262 12.550 413 HB THR 54 HB THR 54 -2.315 11.450 13.431 414 HG1 THR 54 HG1 THR 54 -1.388 13.287 12.770 415 HG21 THR 54 HG21 THR 54 -0.653 10.168 14.690 416 HG22 THR 54 HG22 THR 54 -0.340 11.898 14.831 417 HG23 THR 54 HG23 THR 54 0.646 10.910 13.754 418 H ASP 55 H ASP 55 -1.181 11.734 10.006 419 HA ASP 55 HA ASP 55 -3.909 12.247 9.608 420 HB2 ASP 55 HB2 ASP 55 -2.014 13.715 8.857 421 HB3 ASP 55 HB3 ASP 55 -1.764 12.606 7.510 422 H HIS 56 H HIS 56 -5.400 11.606 8.149 423 HA HIS 56 HA HIS 56 -5.544 8.885 7.560 424 HB2 HIS 56 HB2 HIS 56 -7.634 9.423 6.403 425 HB3 HIS 56 HB3 HIS 56 -7.510 10.313 7.917 426 HD1 HIS 56 HD1 HIS 56 -6.899 12.922 7.675 427 HD2 HIS 56 HD2 HIS 56 -7.965 10.975 4.162 428 HE1 HIS 56 HE1 HIS 56 -7.393 14.737 6.023 429 HE2 HIS 56 HE2 HIS 56 -8.191 13.543 3.969 430 H GLN 57 H GLN 57 -4.436 11.543 5.518 431 HA GLN 57 HA GLN 57 -4.793 10.302 3.006 432 HB2 GLN 57 HB2 GLN 57 -2.756 12.385 3.832 433 HB3 GLN 57 HB3 GLN 57 -3.138 11.953 2.172 434 HG2 GLN 57 HG2 GLN 57 -5.126 13.094 4.127 435 HG3 GLN 57 HG3 GLN 57 -4.203 14.053 2.974 436 HE21 GLN 57 HE21 GLN 57 -6.052 14.780 1.945 437 HE22 GLN 57 HE22 GLN 57 -7.007 13.767 0.924 438 H LEU 58 H LEU 58 -1.899 10.454 5.091 439 HA LEU 58 HA LEU 58 -0.201 8.957 3.401 440 HB2 LEU 58 HB2 LEU 58 -0.097 9.246 6.409 441 HB3 LEU 58 HB3 LEU 58 1.221 8.691 5.392 442 HG LEU 58 HG LEU 58 0.006 11.462 5.359 443 HD11 LEU 58 HD11 LEU 58 1.351 11.069 7.347 444 HD12 LEU 58 HD12 LEU 58 2.174 12.177 6.250 445 HD13 LEU 58 HD13 LEU 58 2.688 10.493 6.348 446 HD21 LEU 58 HD21 LEU 58 1.838 12.026 3.820 447 HD22 LEU 58 HD22 LEU 58 0.748 10.822 3.133 448 HD23 LEU 58 HD23 LEU 58 2.314 10.328 3.774 449 H ILE 59 H ILE 59 -2.383 8.005 5.994 450 HA ILE 59 HA ILE 59 -1.655 5.262 6.104 451 HB ILE 59 HB ILE 59 -4.282 6.560 6.879 452 HG12 ILE 59 HG12 ILE 59 -1.818 5.971 8.551 453 HG13 ILE 59 HG13 ILE 59 -2.334 7.567 8.018 454 HG21 ILE 59 HG21 ILE 59 -3.088 3.903 7.684 455 HG22 ILE 59 HG22 ILE 59 -4.502 4.147 6.661 456 HG23 ILE 59 HG23 ILE 59 -4.557 4.608 8.360 457 HD11 ILE 59 HD11 ILE 59 -3.861 5.753 9.873 458 HD12 ILE 59 HD12 ILE 59 -4.359 7.365 9.352 459 HD13 ILE 59 HD13 ILE 59 -2.912 7.166 10.340 460 H GLU 60 H GLU 60 -4.413 6.902 4.530 461 HA GLU 60 HA GLU 60 -5.577 4.662 3.347 462 HB2 GLU 60 HB2 GLU 60 -5.783 7.573 3.017 463 HB3 GLU 60 HB3 GLU 60 -6.164 6.675 1.554 464 HG2 GLU 60 HG2 GLU 60 -7.439 6.208 4.244 465 HG3 GLU 60 HG3 GLU 60 -8.137 7.172 2.944 466 H THR 61 H THR 61 -3.221 6.930 1.893 467 HA THR 61 HA THR 61 -2.991 5.833 -0.634 468 HB THR 61 HB THR 61 -0.714 6.941 1.040 469 HG1 THR 61 HG1 THR 61 -2.049 8.625 0.881 470 HG21 THR 61 HG21 THR 61 0.086 5.748 -0.958 471 HG22 THR 61 HG22 THR 61 0.339 7.487 -1.107 472 HG23 THR 61 HG23 THR 61 -0.993 6.714 -1.965 473 H THR 62 H THR 62 -1.772 4.571 2.385 474 HA THR 62 HA THR 62 -0.082 2.586 1.095 475 HB THR 62 HB THR 62 -0.709 2.930 4.038 476 HG1 THR 62 HG1 THR 62 0.447 4.704 3.583 477 HG21 THR 62 HG21 THR 62 0.109 0.685 3.500 478 HG22 THR 62 HG22 THR 62 1.328 1.597 4.390 479 HG23 THR 62 HG23 THR 62 1.487 1.384 2.647 480 H ASN 63 H ASN 63 -2.794 2.374 3.472 481 HA ASN 63 HA ASN 63 -2.967 -0.447 3.164 482 HB2 ASN 63 HB2 ASN 63 -5.044 -0.279 4.539 483 HB3 ASN 63 HB3 ASN 63 -3.629 0.472 5.258 484 HD21 ASN 63 HD21 ASN 63 -5.708 1.906 2.752 485 HD22 ASN 63 HD22 ASN 63 -6.283 3.182 3.750 486 H ARG 64 H ARG 64 -4.376 2.123 1.343 487 HA ARG 64 HA ARG 64 -6.657 0.721 0.367 488 HB2 ARG 64 HB2 ARG 64 -6.427 3.179 0.214 489 HB3 ARG 64 HB3 ARG 64 -5.123 2.978 -0.948 490 HG2 ARG 64 HG2 ARG 64 -6.697 1.853 -2.484 491 HG3 ARG 64 HG3 ARG 64 -7.998 2.141 -1.328 492 HD2 ARG 64 HD2 ARG 64 -6.348 4.265 -2.701 493 HD3 ARG 64 HD3 ARG 64 -7.993 3.801 -3.126 494 HE ARG 64 HE ARG 64 -7.696 4.649 -0.391 495 HH11 ARG 64 HH11 ARG 64 -8.364 5.623 -3.628 496 HH12 ARG 64 HH12 ARG 64 -9.065 7.130 -3.147 497 HH21 ARG 64 HH21 ARG 64 -8.618 6.574 0.217 498 HH22 ARG 64 HH22 ARG 64 -9.201 7.663 -0.996 499 H ALA 65 H ALA 65 -3.412 1.269 -1.029 500 HA ALA 65 HA ALA 65 -3.656 -0.219 -3.361 501 HB1 ALA 65 HB1 ALA 65 -1.698 1.151 -2.853 502 HB2 ALA 65 HB2 ALA 65 -1.221 -0.496 -3.272 503 HB3 ALA 65 HB3 ALA 65 -1.222 0.022 -1.585 504 H ILE 66 H ILE 66 -2.705 -1.337 -0.117 505 HA ILE 66 HA ILE 66 -2.380 -4.054 -0.574 506 HB ILE 66 HB ILE 66 -3.642 -2.722 1.838 507 HG12 ILE 66 HG12 ILE 66 -0.771 -3.557 1.323 508 HG13 ILE 66 HG13 ILE 66 -1.371 -1.902 1.297 509 HG21 ILE 66 HG21 ILE 66 -2.453 -5.487 1.577 510 HG22 ILE 66 HG22 ILE 66 -4.158 -5.102 1.812 511 HG23 ILE 66 HG23 ILE 66 -2.990 -4.740 3.082 512 HD11 ILE 66 HD11 ILE 66 -1.280 -3.735 3.684 513 HD12 ILE 66 HD12 ILE 66 -1.961 -2.108 3.678 514 HD13 ILE 66 HD13 ILE 66 -0.241 -2.345 3.376 515 H SER 67 H SER 67 -5.392 -2.300 0.159 516 HA SER 67 HA SER 67 -7.140 -4.501 0.153 517 HB2 SER 67 HB2 SER 67 -7.792 -2.316 1.057 518 HB3 SER 67 HB3 SER 67 -7.719 -1.609 -0.556 519 HG SER 67 HG SER 67 -9.775 -2.116 -0.514 520 H LEU 68 H LEU 68 -6.245 -2.276 -2.477 521 HA LEU 68 HA LEU 68 -7.901 -3.378 -4.463 522 HB2 LEU 68 HB2 LEU 68 -5.422 -1.703 -4.513 523 HB3 LEU 68 HB3 LEU 68 -5.982 -2.418 -6.013 524 HG LEU 68 HG LEU 68 -8.140 -1.261 -5.777 525 HD11 LEU 68 HD11 LEU 68 -6.930 -0.002 -3.321 526 HD12 LEU 68 HD12 LEU 68 -8.272 -1.146 -3.350 527 HD13 LEU 68 HD13 LEU 68 -8.461 0.452 -4.069 528 HD21 LEU 68 HD21 LEU 68 -7.350 0.993 -6.235 529 HD22 LEU 68 HD22 LEU 68 -6.312 -0.199 -7.015 530 HD23 LEU 68 HD23 LEU 68 -5.776 0.605 -5.539 531 H TYR 69 H TYR 69 -4.521 -4.149 -3.605 532 HA TYR 69 HA TYR 69 -4.040 -6.065 -5.585 533 HB2 TYR 69 HB2 TYR 69 -2.962 -5.804 -2.777 534 HB3 TYR 69 HB3 TYR 69 -2.415 -7.069 -3.872 535 HD1 TYR 69 HD1 TYR 69 -2.116 -5.795 -6.423 536 HD2 TYR 69 HD2 TYR 69 -1.271 -4.211 -2.557 537 HE1 TYR 69 HE1 TYR 69 -0.471 -4.262 -7.412 538 HE2 TYR 69 HE2 TYR 69 0.373 -2.671 -3.544 539 HH TYR 69 HH TYR 69 0.589 -2.111 -6.878 540 H MET 70 H MET 70 -5.752 -6.373 -2.526 541 HA MET 70 HA MET 70 -6.082 -9.195 -2.555 542 HB2 MET 70 HB2 MET 70 -7.816 -7.046 -1.304 543 HB3 MET 70 HB3 MET 70 -7.938 -8.765 -0.957 544 HG2 MET 70 HG2 MET 70 -5.509 -7.064 -0.425 545 HG3 MET 70 HG3 MET 70 -6.728 -7.502 0.773 546 HE1 MET 70 HE1 MET 70 -3.669 -8.050 1.305 547 HE2 MET 70 HE2 MET 70 -3.722 -9.698 1.927 548 HE3 MET 70 HE3 MET 70 -4.950 -8.531 2.415 549 H ALA 71 H ALA 71 -8.535 -6.680 -3.228 550 HA ALA 71 HA ALA 71 -10.496 -8.384 -4.232 551 HB1 ALA 71 HB1 ALA 71 -11.564 -6.389 -5.137 552 HB2 ALA 71 HB2 ALA 71 -10.064 -5.482 -4.943 553 HB3 ALA 71 HB3 ALA 71 -10.924 -6.077 -3.523 554 H ASN 72 H ASN 72 -7.932 -6.676 -5.969 555 HA ASN 72 HA ASN 72 -8.751 -7.236 -8.598 556 HB2 ASN 72 HB2 ASN 72 -7.005 -5.572 -7.890 557 HB3 ASN 72 HB3 ASN 72 -5.909 -6.914 -7.597 558 HD21 ASN 72 HD21 ASN 72 -5.688 -4.664 -9.443 559 HD22 ASN 72 HD22 ASN 72 -5.487 -5.355 -11.012 560 H LEU 73 H LEU 73 -6.284 -8.934 -6.613 561 HA LEU 73 HA LEU 73 -5.735 -10.958 -8.481 562 HB2 LEU 73 HB2 LEU 73 -4.354 -10.302 -6.473 563 HB3 LEU 73 HB3 LEU 73 -5.493 -11.179 -5.474 564 HG LEU 73 HG LEU 73 -3.327 -12.378 -6.018 565 HD11 LEU 73 HD11 LEU 73 -5.306 -13.589 -5.211 566 HD12 LEU 73 HD12 LEU 73 -4.346 -14.549 -6.335 567 HD13 LEU 73 HD13 LEU 73 -5.845 -13.798 -6.878 568 HD21 LEU 73 HD21 LEU 73 -3.128 -13.444 -8.204 569 HD22 LEU 73 HD22 LEU 73 -3.128 -11.688 -8.348 570 HD23 LEU 73 HD23 LEU 73 -4.577 -12.607 -8.757 571 H GLU 74 H GLU 74 -7.939 -10.973 -5.683 572 HA GLU 74 HA GLU 74 -8.743 -13.621 -5.748 573 HB2 GLU 74 HB2 GLU 74 -10.345 -11.181 -4.960 574 HB3 GLU 74 HB3 GLU 74 -10.833 -12.835 -4.620 575 HG2 GLU 74 HG2 GLU 74 -8.353 -11.462 -3.591 576 HG3 GLU 74 HG3 GLU 74 -9.813 -11.816 -2.670 577 H HIS 75 H HIS 75 -10.256 -10.891 -7.483 578 HA HIS 75 HA HIS 75 -12.222 -12.657 -8.668 579 HB2 HIS 75 HB2 HIS 75 -11.693 -9.716 -9.146 580 HB3 HIS 75 HB3 HIS 75 -13.082 -10.616 -9.751 581 HD1 HIS 75 HD1 HIS 75 -12.108 -8.530 -7.005 582 HD2 HIS 75 HD2 HIS 75 -14.607 -11.818 -7.457 583 HE1 HIS 75 HE1 HIS 75 -13.575 -8.544 -4.973 584 HE2 HIS 75 HE2 HIS 75 -14.913 -10.660 -5.168 585 H HIS 76 H HIS 76 -9.266 -11.014 -9.748 586 HA HIS 76 HA HIS 76 -9.512 -11.453 -12.500 587 HB2 HIS 76 HB2 HIS 76 -7.798 -9.986 -11.609 588 HB3 HIS 76 HB3 HIS 76 -7.008 -11.336 -10.801 589 HD1 HIS 76 HD1 HIS 76 -7.928 -10.388 -14.375 590 HD2 HIS 76 HD2 HIS 76 -4.927 -12.310 -12.243 591 HE1 HIS 76 HE1 HIS 76 -6.197 -11.020 -16.077 592 HE2 HIS 76 HE2 HIS 76 -4.484 -12.334 -14.792 593 H HIS 77 H HIS 77 -8.236 -13.637 -9.988 594 HA HIS 77 HA HIS 77 -7.615 -15.662 -11.989 595 HB2 HIS 77 HB2 HIS 77 -6.467 -16.824 -10.352 596 HB3 HIS 77 HB3 HIS 77 -6.294 -15.172 -9.781 597 HD1 HIS 77 HD1 HIS 77 -7.948 -14.506 -7.740 598 HD2 HIS 77 HD2 HIS 77 -7.594 -18.559 -8.570 599 HE1 HIS 77 HE1 HIS 77 -8.792 -15.685 -5.694 600 HE2 HIS 77 HE2 HIS 77 -8.370 -18.121 -6.141 601 H HIS 78 H HIS 78 -10.378 -14.666 -10.528 602 HA HIS 78 HA HIS 78 -12.466 -15.502 -10.218 603 HB2 HIS 78 HB2 HIS 78 -11.582 -17.834 -11.935 604 HB3 HIS 78 HB3 HIS 78 -13.227 -17.273 -11.670 605 HD1 HIS 78 HD1 HIS 78 -11.237 -17.448 -14.359 606 HD2 HIS 78 HD2 HIS 78 -12.909 -14.134 -12.489 607 HE1 HIS 78 HE1 HIS 78 -11.283 -15.646 -16.102 608 HE2 HIS 78 HE2 HIS 78 -12.426 -13.704 -14.995 609 H HIS 79 H HIS 79 -13.664 -17.795 -9.676 610 HA HIS 79 HA HIS 79 -11.908 -19.429 -7.954 611 HB2 HIS 79 HB2 HIS 79 -13.387 -17.897 -6.606 612 HB3 HIS 79 HB3 HIS 79 -14.781 -18.731 -7.282 613 HD1 HIS 79 HD1 HIS 79 -15.683 -20.079 -5.384 614 HD2 HIS 79 HD2 HIS 79 -11.547 -20.359 -5.675 615 HE1 HIS 79 HE1 HIS 79 -14.998 -21.769 -3.661 616 HE2 HIS 79 HE2 HIS 79 -12.513 -22.007 -3.937 617 H HIS 80 H HIS 80 -13.700 -19.379 -10.658 618 HA HIS 80 HA HIS 80 -14.047 -22.280 -10.659 619 HB2 HIS 80 HB2 HIS 80 -16.248 -21.332 -10.015 620 HB3 HIS 80 HB3 HIS 80 -16.262 -20.376 -11.492 621 HD1 HIS 80 HD1 HIS 80 -16.645 -21.669 -13.733 622 HD2 HIS 80 HD2 HIS 80 -16.969 -24.005 -10.312 623 HE1 HIS 80 HE1 HIS 80 -17.778 -23.784 -14.467 624 HE2 HIS 80 HE2 HIS 80 -18.136 -25.089 -12.347 Start of MODEL 14 1 H1 MET 1 H1 MET 1 12.660 -12.016 -1.717 2 H2 MET 1 H2 MET 1 12.719 -13.620 -2.255 3 H3 MET 1 H3 MET 1 11.243 -12.937 -1.779 4 HA MET 1 HA MET 1 11.313 -11.384 -3.600 5 HB2 MET 1 HB2 MET 1 13.872 -12.829 -4.326 6 HB3 MET 1 HB3 MET 1 13.024 -11.724 -5.398 7 HG2 MET 1 HG2 MET 1 13.351 -9.923 -3.732 8 HG3 MET 1 HG3 MET 1 14.295 -11.046 -2.752 9 HE1 MET 1 HE1 MET 1 14.100 -9.060 -6.143 10 HE2 MET 1 HE2 MET 1 14.198 -10.738 -6.682 11 HE3 MET 1 HE3 MET 1 15.545 -9.638 -6.972 12 H ALA 2 H ALA 2 9.383 -12.553 -3.880 13 HA ALA 2 HA ALA 2 9.579 -14.649 -5.958 14 HB1 ALA 2 HB1 ALA 2 7.566 -14.582 -3.705 15 HB2 ALA 2 HB2 ALA 2 8.959 -15.659 -3.804 16 HB3 ALA 2 HB3 ALA 2 7.659 -15.789 -4.989 17 H GLY 3 H GLY 3 8.908 -13.687 -7.788 18 HA2 GLY 3 HA2 GLY 3 7.406 -12.744 -9.282 19 HA3 GLY 3 HA3 GLY 3 6.243 -12.590 -7.975 20 H ASP 4 H ASP 4 6.636 -10.805 -6.417 21 HA ASP 4 HA ASP 4 8.471 -8.718 -6.990 22 HB2 ASP 4 HB2 ASP 4 6.868 -8.315 -8.845 23 HB3 ASP 4 HB3 ASP 4 5.580 -8.106 -7.662 24 HA PRO 5 HA PRO 5 7.124 -8.408 -2.641 25 HB2 PRO 5 HB2 PRO 5 9.668 -6.945 -2.352 26 HB3 PRO 5 HB3 PRO 5 9.113 -8.406 -1.528 27 HG2 PRO 5 HG2 PRO 5 11.076 -8.471 -3.373 28 HG3 PRO 5 HG3 PRO 5 9.921 -9.805 -3.178 29 HD2 PRO 5 HD2 PRO 5 9.949 -7.604 -5.232 30 HD3 PRO 5 HD3 PRO 5 9.630 -9.341 -5.446 31 H MET 6 H MET 6 8.007 -6.009 -4.978 32 HA MET 6 HA MET 6 7.725 -3.684 -3.385 33 HB2 MET 6 HB2 MET 6 7.434 -3.997 -6.383 34 HB3 MET 6 HB3 MET 6 7.615 -2.469 -5.531 35 HG2 MET 6 HG2 MET 6 9.643 -4.692 -5.647 36 HG3 MET 6 HG3 MET 6 9.713 -3.160 -6.518 37 HE1 MET 6 HE1 MET 6 12.184 -2.745 -5.573 38 HE2 MET 6 HE2 MET 6 12.097 -4.281 -4.716 39 HE3 MET 6 HE3 MET 6 12.589 -2.821 -3.857 40 H THR 7 H THR 7 5.520 -4.723 -6.023 41 HA THR 7 HA THR 7 3.340 -4.172 -6.452 42 HB THR 7 HB THR 7 1.715 -4.874 -4.705 43 HG1 THR 7 HG1 THR 7 4.089 -5.187 -3.155 44 HG21 THR 7 HG21 THR 7 2.653 -6.521 -6.249 45 HG22 THR 7 HG22 THR 7 2.386 -7.237 -4.659 46 HG23 THR 7 HG23 THR 7 4.015 -6.783 -5.161 47 H PHE 8 H PHE 8 3.010 -3.228 -3.049 48 HA PHE 8 HA PHE 8 1.647 -0.852 -3.494 49 HB2 PHE 8 HB2 PHE 8 1.694 -1.828 -1.288 50 HB3 PHE 8 HB3 PHE 8 3.444 -1.662 -1.195 51 HD1 PHE 8 HD1 PHE 8 0.372 0.427 -1.613 52 HD2 PHE 8 HD2 PHE 8 4.329 0.149 -0.054 53 HE1 PHE 8 HE1 PHE 8 0.106 2.622 -0.542 54 HE2 PHE 8 HE2 PHE 8 4.063 2.346 1.018 55 HZ PHE 8 HZ PHE 8 1.949 3.586 0.778 56 H TYR 9 H TYR 9 5.147 -1.261 -2.881 57 HA TYR 9 HA TYR 9 5.890 1.428 -3.221 58 HB2 TYR 9 HB2 TYR 9 7.348 -0.305 -2.217 59 HB3 TYR 9 HB3 TYR 9 7.524 -1.063 -3.796 60 HD1 TYR 9 HD1 TYR 9 8.146 2.132 -1.987 61 HD2 TYR 9 HD2 TYR 9 9.281 -0.403 -5.214 62 HE1 TYR 9 HE1 TYR 9 10.084 3.571 -2.432 63 HE2 TYR 9 HE2 TYR 9 11.224 1.034 -5.666 64 HH TYR 9 HH TYR 9 11.949 3.320 -5.289 65 H ASN 10 H ASN 10 5.340 -1.135 -5.516 66 HA ASN 10 HA ASN 10 6.438 0.161 -7.807 67 HB2 ASN 10 HB2 ASN 10 6.351 -2.160 -7.990 68 HB3 ASN 10 HB3 ASN 10 4.735 -2.258 -7.305 69 HD21 ASN 10 HD21 ASN 10 2.966 -1.963 -8.617 70 HD22 ASN 10 HD22 ASN 10 3.083 -1.958 -10.338 71 H PHE 11 H PHE 11 3.279 0.164 -6.279 72 HA PHE 11 HA PHE 11 2.002 1.395 -8.600 73 HB2 PHE 11 HB2 PHE 11 0.885 -0.399 -7.242 74 HB3 PHE 11 HB3 PHE 11 0.786 0.739 -5.904 75 HD1 PHE 11 HD1 PHE 11 -0.185 0.375 -9.490 76 HD2 PHE 11 HD2 PHE 11 -1.111 2.076 -5.691 77 HE1 PHE 11 HE1 PHE 11 -2.323 1.204 -10.384 78 HE2 PHE 11 HE2 PHE 11 -3.249 2.903 -6.584 79 HZ PHE 11 HZ PHE 11 -3.856 2.469 -8.929 80 H ILE 12 H ILE 12 2.891 2.275 -5.280 81 HA ILE 12 HA ILE 12 1.478 4.682 -5.098 82 HB ILE 12 HB ILE 12 2.496 3.517 -3.158 83 HG12 ILE 12 HG12 ILE 12 3.237 5.568 -1.956 84 HG13 ILE 12 HG13 ILE 12 3.322 6.417 -3.495 85 HG21 ILE 12 HG21 ILE 12 5.104 4.673 -4.159 86 HG22 ILE 12 HG22 ILE 12 4.663 2.965 -4.153 87 HG23 ILE 12 HG23 ILE 12 4.860 3.828 -2.628 88 HD11 ILE 12 HD11 ILE 12 0.927 6.146 -3.798 89 HD12 ILE 12 HD12 ILE 12 1.283 6.946 -2.266 90 HD13 ILE 12 HD13 ILE 12 0.829 5.243 -2.285 91 H MET 13 H MET 13 4.692 4.044 -6.456 92 HA MET 13 HA MET 13 5.490 6.733 -6.779 93 HB2 MET 13 HB2 MET 13 6.266 4.259 -8.339 94 HB3 MET 13 HB3 MET 13 7.034 5.828 -8.546 95 HG2 MET 13 HG2 MET 13 7.662 5.774 -6.139 96 HG3 MET 13 HG3 MET 13 7.021 4.134 -6.054 97 HE1 MET 13 HE1 MET 13 8.073 2.057 -7.348 98 HE2 MET 13 HE2 MET 13 9.418 2.198 -8.479 99 HE3 MET 13 HE3 MET 13 7.860 2.925 -8.869 100 H GLY 14 H GLY 14 3.208 4.804 -8.524 101 HA2 GLY 14 HA2 GLY 14 3.105 6.241 -10.957 102 HA3 GLY 14 HA3 GLY 14 1.792 5.303 -10.264 103 H PHE 15 H PHE 15 1.898 7.009 -7.776 104 HA PHE 15 HA PHE 15 0.223 9.189 -8.698 105 HB2 PHE 15 HB2 PHE 15 1.153 8.439 -5.913 106 HB3 PHE 15 HB3 PHE 15 -0.014 9.705 -6.281 107 HD1 PHE 15 HD1 PHE 15 -2.203 9.077 -7.338 108 HD2 PHE 15 HD2 PHE 15 0.492 6.180 -5.762 109 HE1 PHE 15 HE1 PHE 15 -4.028 7.430 -7.255 110 HE2 PHE 15 HE2 PHE 15 -1.328 4.529 -5.678 111 HZ PHE 15 HZ PHE 15 -3.591 5.152 -6.425 112 H GLN 16 H GLN 16 3.501 8.749 -7.535 113 HA GLN 16 HA GLN 16 4.153 11.502 -7.195 114 HB2 GLN 16 HB2 GLN 16 5.510 9.759 -6.174 115 HB3 GLN 16 HB3 GLN 16 5.904 9.093 -7.750 116 HG2 GLN 16 HG2 GLN 16 7.760 10.362 -6.774 117 HG3 GLN 16 HG3 GLN 16 7.212 11.054 -8.299 118 HE21 GLN 16 HE21 GLN 16 8.084 13.060 -7.815 119 HE22 GLN 16 HE22 GLN 16 7.405 14.105 -6.621 120 H ASN 17 H ASN 17 3.501 9.667 -9.948 121 HA ASN 17 HA ASN 17 5.057 10.906 -11.932 122 HB2 ASN 17 HB2 ASN 17 3.492 8.876 -12.120 123 HB3 ASN 17 HB3 ASN 17 2.182 10.037 -12.296 124 HD21 ASN 17 HD21 ASN 17 3.081 8.052 -14.165 125 HD22 ASN 17 HD22 ASN 17 3.557 8.891 -15.597 126 H ASP 18 H ASP 18 2.527 12.148 -9.973 127 HA ASP 18 HA ASP 18 2.640 14.696 -11.431 128 HB2 ASP 18 HB2 ASP 18 0.550 13.400 -12.056 129 HB3 ASP 18 HB3 ASP 18 0.046 13.538 -10.375 130 H ASN 19 H ASN 19 2.074 16.559 -10.075 131 HA ASN 19 HA ASN 19 3.198 16.372 -7.476 132 HB2 ASN 19 HB2 ASN 19 1.625 18.638 -8.725 133 HB3 ASN 19 HB3 ASN 19 2.588 18.754 -7.254 134 HD21 ASN 19 HD21 ASN 19 3.953 20.302 -8.118 135 HD22 ASN 19 HD22 ASN 19 5.109 19.946 -9.350 136 H THR 20 H THR 20 1.981 14.865 -6.307 137 HA THR 20 HA THR 20 -0.646 15.831 -5.340 138 HB THR 20 HB THR 20 -1.499 13.535 -5.277 139 HG1 THR 20 HG1 THR 20 0.699 12.612 -6.796 140 HG21 THR 20 HG21 THR 20 -1.921 14.813 -7.323 141 HG22 THR 20 HG22 THR 20 -1.710 13.101 -7.689 142 HG23 THR 20 HG23 THR 20 -0.400 14.239 -8.009 143 HA PRO 21 HA PRO 21 0.842 15.019 -1.158 144 HB2 PRO 21 HB2 PRO 21 -1.821 13.740 -0.713 145 HB3 PRO 21 HB3 PRO 21 -1.021 15.022 0.206 146 HG2 PRO 21 HG2 PRO 21 -3.056 15.587 -1.421 147 HG3 PRO 21 HG3 PRO 21 -1.663 16.679 -1.295 148 HD2 PRO 21 HD2 PRO 21 -2.350 14.721 -3.456 149 HD3 PRO 21 HD3 PRO 21 -1.638 16.343 -3.587 150 H PHE 22 H PHE 22 -0.713 12.537 -3.079 151 HA PHE 22 HA PHE 22 -0.001 10.240 -1.623 152 HB2 PHE 22 HB2 PHE 22 -0.323 10.570 -4.623 153 HB3 PHE 22 HB3 PHE 22 -0.309 9.037 -3.762 154 HD1 PHE 22 HD1 PHE 22 -2.162 12.287 -3.831 155 HD2 PHE 22 HD2 PHE 22 -2.327 8.080 -3.164 156 HE1 PHE 22 HE1 PHE 22 -4.602 12.425 -3.560 157 HE2 PHE 22 HE2 PHE 22 -4.767 8.218 -2.890 158 HZ PHE 22 HZ PHE 22 -5.908 10.391 -3.092 159 H GLY 23 H GLY 23 1.718 12.092 -4.105 160 HA2 GLY 23 HA2 GLY 23 3.930 10.387 -4.457 161 HA3 GLY 23 HA3 GLY 23 3.913 12.116 -4.766 162 H ILE 24 H ILE 24 3.324 12.896 -2.050 163 HA ILE 24 HA ILE 24 5.852 13.115 -0.896 164 HB ILE 24 HB ILE 24 3.187 13.175 0.551 165 HG12 ILE 24 HG12 ILE 24 3.251 14.762 -1.329 166 HG13 ILE 24 HG13 ILE 24 3.267 15.613 0.211 167 HG21 ILE 24 HG21 ILE 24 5.039 12.963 2.110 168 HG22 ILE 24 HG22 ILE 24 4.359 14.588 2.201 169 HG23 ILE 24 HG23 ILE 24 5.874 14.313 1.341 170 HD11 ILE 24 HD11 ILE 24 5.631 15.127 -1.591 171 HD12 ILE 24 HD12 ILE 24 5.698 15.923 -0.017 172 HD13 ILE 24 HD13 ILE 24 4.787 16.653 -1.337 173 H LEU 25 H LEU 25 3.216 10.870 -0.070 174 HA LEU 25 HA LEU 25 4.530 9.343 1.866 175 HB2 LEU 25 HB2 LEU 25 2.082 9.294 1.241 176 HB3 LEU 25 HB3 LEU 25 2.512 8.336 -0.157 177 HG LEU 25 HG LEU 25 1.561 7.072 1.816 178 HD11 LEU 25 HD11 LEU 25 2.806 5.943 0.032 179 HD12 LEU 25 HD12 LEU 25 3.048 5.175 1.600 180 HD13 LEU 25 HD13 LEU 25 4.309 6.204 0.919 181 HD21 LEU 25 HD21 LEU 25 4.262 7.661 3.037 182 HD22 LEU 25 HD22 LEU 25 3.041 6.566 3.686 183 HD23 LEU 25 HD23 LEU 25 2.712 8.295 3.594 184 H ALA 26 H ALA 26 4.361 8.890 -1.660 185 HA ALA 26 HA ALA 26 5.705 6.500 -1.959 186 HB1 ALA 26 HB1 ALA 26 6.230 7.215 -4.227 187 HB2 ALA 26 HB2 ALA 26 5.894 8.891 -3.791 188 HB3 ALA 26 HB3 ALA 26 4.593 7.701 -3.786 189 H GLU 27 H GLU 27 7.254 9.750 -2.065 190 HA GLU 27 HA GLU 27 9.874 8.549 -2.180 191 HB2 GLU 27 HB2 GLU 27 9.044 11.444 -1.898 192 HB3 GLU 27 HB3 GLU 27 10.704 10.896 -2.109 193 HG2 GLU 27 HG2 GLU 27 9.900 9.783 -4.257 194 HG3 GLU 27 HG3 GLU 27 8.423 10.726 -4.064 195 H HIS 28 H HIS 28 7.793 9.525 0.399 196 HA HIS 28 HA HIS 28 9.929 9.852 2.319 197 HB2 HIS 28 HB2 HIS 28 7.795 11.055 2.589 198 HB3 HIS 28 HB3 HIS 28 6.959 9.521 2.807 199 HD1 HIS 28 HD1 HIS 28 10.181 10.763 4.438 200 HD2 HIS 28 HD2 HIS 28 6.350 9.508 5.448 201 HE1 HIS 28 HE1 HIS 28 10.136 10.690 6.940 202 HE2 HIS 28 HE2 HIS 28 7.744 10.183 7.515 203 H VAL 29 H VAL 29 7.782 7.196 1.353 204 HA VAL 29 HA VAL 29 8.878 5.423 3.363 205 HB VAL 29 HB VAL 29 7.658 3.619 2.243 206 HG11 VAL 29 HG11 VAL 29 5.384 4.460 2.588 207 HG12 VAL 29 HG12 VAL 29 5.993 6.115 2.593 208 HG13 VAL 29 HG13 VAL 29 6.474 4.995 3.866 209 HG21 VAL 29 HG21 VAL 29 6.890 5.701 0.190 210 HG22 VAL 29 HG22 VAL 29 6.220 4.073 0.302 211 HG23 VAL 29 HG23 VAL 29 7.926 4.300 -0.080 212 H SER 30 H SER 30 9.451 6.111 -0.055 213 HA SER 30 HA SER 30 11.456 4.134 -0.468 214 HB2 SER 30 HB2 SER 30 10.380 5.310 -2.351 215 HB3 SER 30 HB3 SER 30 11.118 6.824 -1.835 216 HG SER 30 HG SER 30 12.145 4.880 -3.376 217 H GLU 31 H GLU 31 11.412 7.116 1.205 218 HA GLU 31 HA GLU 31 14.033 8.005 1.177 219 HB2 GLU 31 HB2 GLU 31 12.166 9.194 2.246 220 HB3 GLU 31 HB3 GLU 31 12.077 7.956 3.487 221 HG2 GLU 31 HG2 GLU 31 14.394 8.592 4.184 222 HG3 GLU 31 HG3 GLU 31 14.302 9.941 3.049 223 H ASP 32 H ASP 32 12.572 5.668 3.471 224 HA ASP 32 HA ASP 32 15.143 5.087 4.646 225 HB2 ASP 32 HB2 ASP 32 13.161 5.058 6.070 226 HB3 ASP 32 HB3 ASP 32 12.451 3.773 5.097 227 H LYS 33 H LYS 33 16.136 4.448 2.608 228 HA LYS 33 HA LYS 33 15.739 1.568 2.092 229 HB2 LYS 33 HB2 LYS 33 17.246 1.954 0.117 230 HB3 LYS 33 HB3 LYS 33 15.714 2.813 0.042 231 HG2 LYS 33 HG2 LYS 33 16.868 4.859 0.832 232 HG3 LYS 33 HG3 LYS 33 18.399 3.982 0.764 233 HD2 LYS 33 HD2 LYS 33 18.135 3.643 -1.632 234 HD3 LYS 33 HD3 LYS 33 16.545 4.411 -1.588 235 HE2 LYS 33 HE2 LYS 33 17.580 6.516 -0.882 236 HE3 LYS 33 HE3 LYS 33 19.170 5.753 -0.921 237 HZ1 LYS 33 HZ1 LYS 33 18.682 7.056 -2.919 238 HZ2 LYS 33 HZ2 LYS 33 17.375 6.044 -3.268 239 HZ3 LYS 33 HZ3 LYS 33 18.951 5.427 -3.277 240 H ALA 34 H ALA 34 17.252 3.366 4.210 241 HA ALA 34 HA ALA 34 19.930 2.326 4.171 242 HB1 ALA 34 HB1 ALA 34 20.123 3.387 6.378 243 HB2 ALA 34 HB2 ALA 34 18.387 3.698 6.379 244 HB3 ALA 34 HB3 ALA 34 19.423 4.488 5.193 245 H PHE 35 H PHE 35 16.879 1.468 5.710 246 HA PHE 35 HA PHE 35 18.126 -1.031 6.684 247 HB2 PHE 35 HB2 PHE 35 15.550 0.304 7.564 248 HB3 PHE 35 HB3 PHE 35 16.131 -1.247 8.160 249 HD1 PHE 35 HD1 PHE 35 18.123 -1.357 9.603 250 HD2 PHE 35 HD2 PHE 35 16.492 2.372 8.342 251 HE1 PHE 35 HE1 PHE 35 19.398 -0.207 11.363 252 HE2 PHE 35 HE2 PHE 35 17.769 3.525 10.103 253 HZ PHE 35 HZ PHE 35 19.221 2.235 11.617 254 HA PRO 36 HA PRO 36 15.695 -2.376 2.999 255 HB2 PRO 36 HB2 PRO 36 17.582 -4.651 3.103 256 HB3 PRO 36 HB3 PRO 36 17.212 -3.559 1.764 257 HG2 PRO 36 HG2 PRO 36 19.554 -3.424 3.065 258 HG3 PRO 36 HG3 PRO 36 18.741 -1.963 2.469 259 HD2 PRO 36 HD2 PRO 36 18.814 -3.086 5.258 260 HD3 PRO 36 HD3 PRO 36 18.998 -1.402 4.718 261 H ARG 37 H ARG 37 13.782 -2.992 3.999 262 HA ARG 37 HA ARG 37 13.681 -5.295 5.754 263 HB2 ARG 37 HB2 ARG 37 11.353 -3.798 4.531 264 HB3 ARG 37 HB3 ARG 37 11.315 -4.851 5.938 265 HG2 ARG 37 HG2 ARG 37 12.723 -2.188 5.760 266 HG3 ARG 37 HG3 ARG 37 11.186 -2.499 6.566 267 HD2 ARG 37 HD2 ARG 37 12.313 -4.006 8.139 268 HD3 ARG 37 HD3 ARG 37 13.851 -3.715 7.318 269 HE ARG 37 HE ARG 37 12.766 -1.250 8.093 270 HH11 ARG 37 HH11 ARG 37 14.104 -4.067 9.578 271 HH12 ARG 37 HH12 ARG 37 14.724 -3.178 10.924 272 HH21 ARG 37 HH21 ARG 37 13.524 -0.152 9.842 273 HH22 ARG 37 HH22 ARG 37 14.391 -0.996 11.083 274 H LEU 38 H LEU 38 11.982 -4.527 2.691 275 HA LEU 38 HA LEU 38 11.141 -5.846 1.032 276 HB2 LEU 38 HB2 LEU 38 13.718 -7.279 1.658 277 HB3 LEU 38 HB3 LEU 38 12.669 -7.786 0.348 278 HG LEU 38 HG LEU 38 12.926 -5.522 -0.679 279 HD11 LEU 38 HD11 LEU 38 14.992 -5.127 1.487 280 HD12 LEU 38 HD12 LEU 38 13.491 -4.221 1.285 281 HD13 LEU 38 HD13 LEU 38 14.771 -4.085 0.080 282 HD21 LEU 38 HD21 LEU 38 15.488 -7.050 -0.213 283 HD22 LEU 38 HD22 LEU 38 15.197 -5.891 -1.512 284 HD23 LEU 38 HD23 LEU 38 14.277 -7.394 -1.449 285 H GLU 39 H GLU 39 10.070 -6.357 3.586 286 HA GLU 39 HA GLU 39 9.925 -8.926 4.536 287 HB2 GLU 39 HB2 GLU 39 7.617 -6.973 4.354 288 HB3 GLU 39 HB3 GLU 39 7.736 -8.331 5.464 289 HG2 GLU 39 HG2 GLU 39 9.590 -5.953 5.423 290 HG3 GLU 39 HG3 GLU 39 8.236 -6.169 6.531 291 H GLU 40 H GLU 40 8.405 -7.667 1.659 292 HA GLU 40 HA GLU 40 7.447 -8.672 -0.131 293 HB2 GLU 40 HB2 GLU 40 9.110 -10.500 0.288 294 HB3 GLU 40 HB3 GLU 40 7.894 -11.326 1.251 295 HG2 GLU 40 HG2 GLU 40 6.465 -11.568 -0.683 296 HG3 GLU 40 HG3 GLU 40 7.583 -10.624 -1.665 297 H ARG 41 H ARG 41 6.351 -10.400 2.825 298 HA ARG 41 HA ARG 41 3.673 -10.729 2.109 299 HB2 ARG 41 HB2 ARG 41 4.855 -10.216 4.850 300 HB3 ARG 41 HB3 ARG 41 3.220 -10.795 4.559 301 HG2 ARG 41 HG2 ARG 41 4.051 -12.848 3.615 302 HG3 ARG 41 HG3 ARG 41 5.714 -12.263 3.697 303 HD2 ARG 41 HD2 ARG 41 5.573 -12.191 6.141 304 HD3 ARG 41 HD3 ARG 41 3.901 -12.747 6.066 305 HE ARG 41 HE ARG 41 4.922 -14.804 4.953 306 HH11 ARG 41 HH11 ARG 41 6.634 -12.904 7.263 307 HH12 ARG 41 HH12 ARG 41 7.524 -14.249 7.874 308 HH21 ARG 41 HH21 ARG 41 6.090 -16.515 5.735 309 HH22 ARG 41 HH22 ARG 41 7.228 -16.266 7.013 310 H HIS 42 H HIS 42 2.284 -9.189 1.458 311 HA HIS 42 HA HIS 42 2.933 -6.412 1.826 312 HB2 HIS 42 HB2 HIS 42 0.431 -7.532 0.554 313 HB3 HIS 42 HB3 HIS 42 1.177 -5.961 0.267 314 HD1 HIS 42 HD1 HIS 42 3.799 -6.271 -0.726 315 HD2 HIS 42 HD2 HIS 42 1.061 -9.327 -1.365 316 HE1 HIS 42 HE1 HIS 42 4.746 -7.637 -2.601 317 HE2 HIS 42 HE2 HIS 42 3.175 -9.584 -2.835 318 H GLN 43 H GLN 43 0.713 -8.614 3.346 319 HA GLN 43 HA GLN 43 -1.254 -6.857 4.270 320 HB2 GLN 43 HB2 GLN 43 -1.477 -9.296 4.345 321 HB3 GLN 43 HB3 GLN 43 -0.223 -9.386 5.574 322 HG2 GLN 43 HG2 GLN 43 -1.643 -8.157 7.131 323 HG3 GLN 43 HG3 GLN 43 -2.896 -8.023 5.898 324 HE21 GLN 43 HE21 GLN 43 -2.989 -9.265 8.536 325 HE22 GLN 43 HE22 GLN 43 -3.439 -10.911 8.281 326 H VAL 44 H VAL 44 1.958 -7.487 5.602 327 HA VAL 44 HA VAL 44 1.414 -6.345 8.174 328 HB VAL 44 HB VAL 44 3.816 -6.473 8.590 329 HG11 VAL 44 HG11 VAL 44 4.106 -8.888 8.313 330 HG12 VAL 44 HG12 VAL 44 2.765 -8.923 7.169 331 HG13 VAL 44 HG13 VAL 44 2.474 -8.495 8.854 332 HG21 VAL 44 HG21 VAL 44 4.638 -5.760 6.403 333 HG22 VAL 44 HG22 VAL 44 4.066 -7.263 5.682 334 HG23 VAL 44 HG23 VAL 44 5.366 -7.295 6.875 335 H ILE 45 H ILE 45 2.370 -5.005 5.117 336 HA ILE 45 HA ILE 45 3.782 -2.721 5.924 337 HB ILE 45 HB ILE 45 1.970 -3.026 3.511 338 HG12 ILE 45 HG12 ILE 45 4.954 -3.505 3.801 339 HG13 ILE 45 HG13 ILE 45 3.728 -4.758 3.643 340 HG21 ILE 45 HG21 ILE 45 3.300 -1.233 2.503 341 HG22 ILE 45 HG22 ILE 45 4.217 -1.061 4.000 342 HG23 ILE 45 HG23 ILE 45 2.495 -0.679 3.971 343 HD11 ILE 45 HD11 ILE 45 3.185 -3.941 1.408 344 HD12 ILE 45 HD12 ILE 45 4.884 -4.392 1.548 345 HD13 ILE 45 HD13 ILE 45 4.419 -2.691 1.567 346 H ARG 46 H ARG 46 0.285 -3.131 5.350 347 HA ARG 46 HA ARG 46 -0.470 -0.461 5.797 348 HB2 ARG 46 HB2 ARG 46 -1.919 -2.114 4.691 349 HB3 ARG 46 HB3 ARG 46 -2.108 -2.974 6.212 350 HG2 ARG 46 HG2 ARG 46 -3.222 -1.024 7.186 351 HG3 ARG 46 HG3 ARG 46 -3.024 -0.149 5.667 352 HD2 ARG 46 HD2 ARG 46 -5.275 -1.034 5.821 353 HD3 ARG 46 HD3 ARG 46 -4.397 -1.848 4.526 354 HE ARG 46 HE ARG 46 -4.054 -3.477 6.683 355 HH11 ARG 46 HH11 ARG 46 -6.834 -2.105 5.185 356 HH12 ARG 46 HH12 ARG 46 -7.827 -3.482 5.516 357 HH21 ARG 46 HH21 ARG 46 -5.359 -5.230 7.126 358 HH22 ARG 46 HH22 ARG 46 -7.010 -5.209 6.605 359 H ALA 47 H ALA 47 0.236 -3.024 8.059 360 HA ALA 47 HA ALA 47 -1.006 -1.827 10.337 361 HB1 ALA 47 HB1 ALA 47 1.210 -3.876 10.187 362 HB2 ALA 47 HB2 ALA 47 -0.520 -4.215 10.266 363 HB3 ALA 47 HB3 ALA 47 0.293 -3.457 11.636 364 H TYR 48 H TYR 48 2.376 -1.955 9.187 365 HA TYR 48 HA TYR 48 3.476 -0.454 11.298 366 HB2 TYR 48 HB2 TYR 48 4.446 -1.099 8.526 367 HB3 TYR 48 HB3 TYR 48 5.372 -0.032 9.580 368 HD1 TYR 48 HD1 TYR 48 6.340 -0.885 11.676 369 HD2 TYR 48 HD2 TYR 48 4.353 -3.482 8.947 370 HE1 TYR 48 HE1 TYR 48 7.342 -2.826 12.799 371 HE2 TYR 48 HE2 TYR 48 5.355 -5.429 10.066 372 HH TYR 48 HH TYR 48 7.259 -5.967 11.472 373 H VAL 49 H VAL 49 2.108 0.633 8.199 374 HA VAL 49 HA VAL 49 3.015 3.307 8.380 375 HB VAL 49 HB VAL 49 1.325 3.907 6.742 376 HG11 VAL 49 HG11 VAL 49 1.934 2.335 4.950 377 HG12 VAL 49 HG12 VAL 49 2.571 1.218 6.158 378 HG13 VAL 49 HG13 VAL 49 3.327 2.796 5.932 379 HG21 VAL 49 HG21 VAL 49 -0.581 2.674 7.643 380 HG22 VAL 49 HG22 VAL 49 0.171 1.147 7.182 381 HG23 VAL 49 HG23 VAL 49 -0.338 2.290 5.940 382 H MET 50 H MET 50 0.228 1.694 9.822 383 HA MET 50 HA MET 50 -1.102 4.051 10.718 384 HB2 MET 50 HB2 MET 50 -1.198 1.229 11.815 385 HB3 MET 50 HB3 MET 50 -2.293 2.523 12.279 386 HG2 MET 50 HG2 MET 50 -3.097 2.659 9.966 387 HG3 MET 50 HG3 MET 50 -2.015 1.336 9.526 388 HE1 MET 50 HE1 MET 50 -5.153 1.312 8.944 389 HE2 MET 50 HE2 MET 50 -5.569 -0.337 9.409 390 HE3 MET 50 HE3 MET 50 -4.084 -0.023 8.512 391 H SER 51 H SER 51 1.526 2.130 12.017 392 HA SER 51 HA SER 51 1.523 3.336 14.624 393 HB2 SER 51 HB2 SER 51 2.503 1.145 14.392 394 HB3 SER 51 HB3 SER 51 3.619 1.719 13.152 395 HG SER 51 HG SER 51 4.017 1.639 15.757 396 H ASN 52 H ASN 52 3.200 3.980 11.592 397 HA ASN 52 HA ASN 52 4.946 5.959 12.823 398 HB2 ASN 52 HB2 ASN 52 4.710 4.879 10.014 399 HB3 ASN 52 HB3 ASN 52 5.775 6.223 10.418 400 HD21 ASN 52 HD21 ASN 52 5.165 2.817 10.904 401 HD22 ASN 52 HD22 ASN 52 6.735 2.436 11.514 402 H TYR 53 H TYR 53 2.243 5.970 10.493 403 HA TYR 53 HA TYR 53 2.446 8.904 10.353 404 HB2 TYR 53 HB2 TYR 53 0.959 7.045 8.482 405 HB3 TYR 53 HB3 TYR 53 1.257 8.766 8.246 406 HD1 TYR 53 HD1 TYR 53 3.962 9.284 8.628 407 HD2 TYR 53 HD2 TYR 53 2.239 5.704 7.094 408 HE1 TYR 53 HE1 TYR 53 6.069 8.770 7.477 409 HE2 TYR 53 HE2 TYR 53 4.348 5.177 5.941 410 HH TYR 53 HH TYR 53 7.245 6.663 6.636 411 H THR 54 H THR 54 1.089 9.966 11.669 412 HA THR 54 HA THR 54 -1.545 8.891 12.309 413 HB THR 54 HB THR 54 -0.387 10.073 14.097 414 HG1 THR 54 HG1 THR 54 -2.260 10.829 14.740 415 HG21 THR 54 HG21 THR 54 -0.489 12.500 12.294 416 HG22 THR 54 HG22 THR 54 0.962 11.611 12.755 417 HG23 THR 54 HG23 THR 54 0.042 12.492 13.976 418 H ASP 55 H ASP 55 -0.123 10.890 9.947 419 HA ASP 55 HA ASP 55 -2.263 12.590 9.267 420 HB2 ASP 55 HB2 ASP 55 -0.107 11.472 7.456 421 HB3 ASP 55 HB3 ASP 55 -1.095 12.899 7.143 422 H HIS 56 H HIS 56 -4.237 11.738 8.989 423 HA HIS 56 HA HIS 56 -4.856 9.178 8.084 424 HB2 HIS 56 HB2 HIS 56 -6.596 11.652 7.973 425 HB3 HIS 56 HB3 HIS 56 -7.165 9.986 7.890 426 HD1 HIS 56 HD1 HIS 56 -6.618 12.642 10.245 427 HD2 HIS 56 HD2 HIS 56 -6.409 8.497 10.385 428 HE1 HIS 56 HE1 HIS 56 -6.734 12.048 12.677 429 HE2 HIS 56 HE2 HIS 56 -6.392 9.556 12.745 430 H GLN 57 H GLN 57 -4.164 12.040 6.237 431 HA GLN 57 HA GLN 57 -5.223 11.317 3.737 432 HB2 GLN 57 HB2 GLN 57 -2.697 12.864 4.387 433 HB3 GLN 57 HB3 GLN 57 -3.379 12.734 2.777 434 HG2 GLN 57 HG2 GLN 57 -3.998 14.847 3.671 435 HG3 GLN 57 HG3 GLN 57 -5.444 13.841 3.620 436 HE21 GLN 57 HE21 GLN 57 -6.428 15.164 5.177 437 HE22 GLN 57 HE22 GLN 57 -5.989 15.075 6.846 438 H LEU 58 H LEU 58 -1.958 10.740 5.053 439 HA LEU 58 HA LEU 58 -1.043 9.191 2.855 440 HB2 LEU 58 HB2 LEU 58 -0.014 9.209 5.700 441 HB3 LEU 58 HB3 LEU 58 0.853 8.633 4.287 442 HG LEU 58 HG LEU 58 0.059 11.500 4.841 443 HD11 LEU 58 HD11 LEU 58 1.890 10.742 6.246 444 HD12 LEU 58 HD12 LEU 58 2.465 11.889 5.037 445 HD13 LEU 58 HD13 LEU 58 2.764 10.164 4.826 446 HD21 LEU 58 HD21 LEU 58 -0.028 11.060 2.458 447 HD22 LEU 58 HD22 LEU 58 1.573 10.320 2.510 448 HD23 LEU 58 HD23 LEU 58 1.386 12.042 2.841 449 H ILE 59 H ILE 59 -2.660 8.372 5.866 450 HA ILE 59 HA ILE 59 -2.296 5.563 5.775 451 HB ILE 59 HB ILE 59 -4.584 7.109 7.015 452 HG12 ILE 59 HG12 ILE 59 -1.980 6.179 8.268 453 HG13 ILE 59 HG13 ILE 59 -2.326 7.837 7.787 454 HG21 ILE 59 HG21 ILE 59 -4.844 5.149 8.473 455 HG22 ILE 59 HG22 ILE 59 -3.563 4.320 7.588 456 HG23 ILE 59 HG23 ILE 59 -5.076 4.723 6.776 457 HD11 ILE 59 HD11 ILE 59 -3.800 6.270 9.891 458 HD12 ILE 59 HD12 ILE 59 -4.142 7.932 9.410 459 HD13 ILE 59 HD13 ILE 59 -2.604 7.533 10.173 460 H GLU 60 H GLU 60 -5.162 7.517 4.854 461 HA GLU 60 HA GLU 60 -6.620 5.485 3.605 462 HB2 GLU 60 HB2 GLU 60 -6.545 8.450 3.002 463 HB3 GLU 60 HB3 GLU 60 -7.755 7.343 2.366 464 HG2 GLU 60 HG2 GLU 60 -7.288 7.793 5.312 465 HG3 GLU 60 HG3 GLU 60 -8.467 8.693 4.359 466 H THR 61 H THR 61 -4.033 7.521 2.358 467 HA THR 61 HA THR 61 -4.133 6.741 -0.350 468 HB THR 61 HB THR 61 -1.798 7.642 1.360 469 HG1 THR 61 HG1 THR 61 -3.442 9.210 0.951 470 HG21 THR 61 HG21 THR 61 -0.882 6.369 -0.494 471 HG22 THR 61 HG22 THR 61 -0.608 8.091 -0.763 472 HG23 THR 61 HG23 THR 61 -1.892 7.255 -1.637 473 H THR 62 H THR 62 -2.318 5.376 2.393 474 HA THR 62 HA THR 62 -0.973 3.379 0.880 475 HB THR 62 HB THR 62 -1.479 3.496 3.866 476 HG1 THR 62 HG1 THR 62 -0.202 5.224 3.271 477 HG21 THR 62 HG21 THR 62 -0.917 1.217 3.135 478 HG22 THR 62 HG22 THR 62 0.407 1.934 4.056 479 HG23 THR 62 HG23 THR 62 0.507 1.836 2.299 480 H ASN 63 H ASN 63 -3.790 3.160 3.096 481 HA ASN 63 HA ASN 63 -4.023 0.364 2.916 482 HB2 ASN 63 HB2 ASN 63 -6.253 0.638 3.945 483 HB3 ASN 63 HB3 ASN 63 -5.006 1.551 4.779 484 HD21 ASN 63 HD21 ASN 63 -6.479 2.936 5.710 485 HD22 ASN 63 HD22 ASN 63 -7.326 4.144 4.813 486 H ARG 64 H ARG 64 -5.562 2.916 1.003 487 HA ARG 64 HA ARG 64 -7.287 1.188 -0.454 488 HB2 ARG 64 HB2 ARG 64 -7.661 3.615 -0.249 489 HB3 ARG 64 HB3 ARG 64 -6.216 3.919 -1.201 490 HG2 ARG 64 HG2 ARG 64 -7.220 2.975 -3.161 491 HG3 ARG 64 HG3 ARG 64 -8.609 2.399 -2.236 492 HD2 ARG 64 HD2 ARG 64 -7.845 5.292 -2.667 493 HD3 ARG 64 HD3 ARG 64 -9.145 4.433 -3.494 494 HE ARG 64 HE ARG 64 -10.165 4.163 -1.232 495 HH11 ARG 64 HH11 ARG 64 -7.973 6.743 -1.839 496 HH12 ARG 64 HH12 ARG 64 -8.647 7.752 -0.611 497 HH21 ARG 64 HH21 ARG 64 -11.024 5.463 0.344 498 HH22 ARG 64 HH22 ARG 64 -10.355 7.037 0.613 499 H ALA 65 H ALA 65 -4.056 2.523 -1.164 500 HA ALA 65 HA ALA 65 -3.737 1.493 -3.743 501 HB1 ALA 65 HB1 ALA 65 -1.328 1.723 -3.360 502 HB2 ALA 65 HB2 ALA 65 -1.621 1.922 -1.633 503 HB3 ALA 65 HB3 ALA 65 -2.218 3.128 -2.773 504 H ILE 66 H ILE 66 -2.907 0.000 -0.611 505 HA ILE 66 HA ILE 66 -1.989 -2.463 -1.721 506 HB ILE 66 HB ILE 66 -3.039 -1.919 1.069 507 HG12 ILE 66 HG12 ILE 66 -0.196 -1.902 -0.003 508 HG13 ILE 66 HG13 ILE 66 -1.121 -0.486 0.481 509 HG21 ILE 66 HG21 ILE 66 -3.042 -4.298 0.566 510 HG22 ILE 66 HG22 ILE 66 -1.757 -3.926 1.714 511 HG23 ILE 66 HG23 ILE 66 -1.367 -4.209 0.017 512 HD11 ILE 66 HD11 ILE 66 -1.168 -1.293 2.781 513 HD12 ILE 66 HD12 ILE 66 0.483 -1.125 2.188 514 HD13 ILE 66 HD13 ILE 66 -0.253 -2.723 2.299 515 H SER 67 H SER 67 -5.123 -1.376 -0.464 516 HA SER 67 HA SER 67 -6.521 -3.788 -0.477 517 HB2 SER 67 HB2 SER 67 -7.434 -1.704 0.477 518 HB3 SER 67 HB3 SER 67 -7.616 -1.038 -1.144 519 HG SER 67 HG SER 67 -9.363 -2.456 0.178 520 H LEU 68 H LEU 68 -5.935 -1.541 -3.163 521 HA LEU 68 HA LEU 68 -7.499 -2.759 -5.123 522 HB2 LEU 68 HB2 LEU 68 -4.823 -1.384 -5.413 523 HB3 LEU 68 HB3 LEU 68 -5.870 -1.804 -6.757 524 HG LEU 68 HG LEU 68 -6.545 0.141 -4.535 525 HD11 LEU 68 HD11 LEU 68 -4.870 1.010 -6.086 526 HD12 LEU 68 HD12 LEU 68 -6.409 1.850 -6.264 527 HD13 LEU 68 HD13 LEU 68 -5.930 0.634 -7.448 528 HD21 LEU 68 HD21 LEU 68 -8.534 -1.038 -5.332 529 HD22 LEU 68 HD22 LEU 68 -8.127 -0.616 -6.998 530 HD23 LEU 68 HD23 LEU 68 -8.550 0.648 -5.844 531 H TYR 69 H TYR 69 -4.171 -3.547 -4.118 532 HA TYR 69 HA TYR 69 -3.867 -5.708 -5.965 533 HB2 TYR 69 HB2 TYR 69 -2.363 -4.866 -3.492 534 HB3 TYR 69 HB3 TYR 69 -1.968 -6.363 -4.332 535 HD1 TYR 69 HD1 TYR 69 -1.258 -6.249 -6.755 536 HD2 TYR 69 HD2 TYR 69 -1.567 -2.772 -4.311 537 HE1 TYR 69 HE1 TYR 69 0.162 -5.019 -8.337 538 HE2 TYR 69 HE2 TYR 69 -0.145 -1.534 -5.893 539 HH TYR 69 HH TYR 69 0.573 -2.671 -8.999 540 H MET 70 H MET 70 -5.567 -5.424 -3.005 541 HA MET 70 HA MET 70 -5.656 -8.306 -2.543 542 HB2 MET 70 HB2 MET 70 -7.052 -6.020 -1.129 543 HB3 MET 70 HB3 MET 70 -7.173 -7.709 -0.658 544 HG2 MET 70 HG2 MET 70 -4.741 -7.749 -0.262 545 HG3 MET 70 HG3 MET 70 -4.671 -6.031 -0.658 546 HE1 MET 70 HE1 MET 70 -3.656 -7.461 2.111 547 HE2 MET 70 HE2 MET 70 -4.160 -6.235 3.274 548 HE3 MET 70 HE3 MET 70 -3.422 -5.750 1.748 549 H ALA 71 H ALA 71 -7.536 -5.833 -4.095 550 HA ALA 71 HA ALA 71 -9.899 -7.539 -4.333 551 HB1 ALA 71 HB1 ALA 71 -10.941 -5.599 -5.399 552 HB2 ALA 71 HB2 ALA 71 -9.401 -4.739 -5.345 553 HB3 ALA 71 HB3 ALA 71 -10.222 -5.173 -3.846 554 H ASN 72 H ASN 72 -7.902 -5.685 -6.657 555 HA ASN 72 HA ASN 72 -8.864 -6.774 -9.006 556 HB2 ASN 72 HB2 ASN 72 -7.233 -4.824 -8.681 557 HB3 ASN 72 HB3 ASN 72 -5.957 -6.034 -8.606 558 HD21 ASN 72 HD21 ASN 72 -6.287 -3.921 -10.518 559 HD22 ASN 72 HD22 ASN 72 -6.427 -4.667 -12.067 560 H LEU 73 H LEU 73 -6.290 -8.036 -6.914 561 HA LEU 73 HA LEU 73 -5.342 -10.101 -8.540 562 HB2 LEU 73 HB2 LEU 73 -4.506 -9.207 -6.237 563 HB3 LEU 73 HB3 LEU 73 -5.587 -10.401 -5.552 564 HG LEU 73 HG LEU 73 -3.248 -11.181 -5.654 565 HD11 LEU 73 HD11 LEU 73 -5.049 -12.835 -5.736 566 HD12 LEU 73 HD12 LEU 73 -3.641 -13.359 -6.656 567 HD13 LEU 73 HD13 LEU 73 -5.062 -12.739 -7.497 568 HD21 LEU 73 HD21 LEU 73 -2.531 -9.965 -7.639 569 HD22 LEU 73 HD22 LEU 73 -3.575 -10.969 -8.650 570 HD23 LEU 73 HD23 LEU 73 -2.203 -11.689 -7.805 571 H GLU 74 H GLU 74 -7.902 -10.248 -6.039 572 HA GLU 74 HA GLU 74 -8.689 -12.912 -6.498 573 HB2 GLU 74 HB2 GLU 74 -10.266 -10.552 -5.443 574 HB3 GLU 74 HB3 GLU 74 -10.852 -12.209 -5.421 575 HG2 GLU 74 HG2 GLU 74 -8.364 -11.240 -4.016 576 HG3 GLU 74 HG3 GLU 74 -9.939 -11.464 -3.254 577 H HIS 75 H HIS 75 -9.865 -9.866 -7.885 578 HA HIS 75 HA HIS 75 -11.911 -10.893 -9.514 579 HB2 HIS 75 HB2 HIS 75 -11.553 -8.488 -9.002 580 HB3 HIS 75 HB3 HIS 75 -10.124 -8.498 -10.029 581 HD1 HIS 75 HD1 HIS 75 -10.779 -7.099 -11.966 582 HD2 HIS 75 HD2 HIS 75 -13.741 -9.834 -10.953 583 HE1 HIS 75 HE1 HIS 75 -12.555 -6.848 -13.717 584 HE2 HIS 75 HE2 HIS 75 -14.421 -8.357 -12.960 585 H HIS 76 H HIS 76 -8.447 -10.745 -9.961 586 HA HIS 76 HA HIS 76 -8.522 -11.682 -12.708 587 HB2 HIS 76 HB2 HIS 76 -6.765 -10.133 -11.987 588 HB3 HIS 76 HB3 HIS 76 -6.223 -11.282 -10.771 589 HD1 HIS 76 HD1 HIS 76 -4.674 -13.146 -11.525 590 HD2 HIS 76 HD2 HIS 76 -6.081 -10.822 -14.669 591 HE1 HIS 76 HE1 HIS 76 -3.283 -13.787 -13.511 592 HE2 HIS 76 HE2 HIS 76 -4.067 -12.282 -15.363 593 H HIS 77 H HIS 77 -8.202 -13.033 -9.511 594 HA HIS 77 HA HIS 77 -7.067 -15.548 -10.250 595 HB2 HIS 77 HB2 HIS 77 -6.874 -14.593 -7.986 596 HB3 HIS 77 HB3 HIS 77 -8.613 -14.743 -7.768 597 HD1 HIS 77 HD1 HIS 77 -5.449 -16.648 -7.585 598 HD2 HIS 77 HD2 HIS 77 -9.524 -17.433 -7.399 599 HE1 HIS 77 HE1 HIS 77 -5.643 -18.962 -6.642 600 HE2 HIS 77 HE2 HIS 77 -8.113 -19.374 -6.430 601 H HIS 78 H HIS 78 -10.314 -14.296 -10.146 602 HA HIS 78 HA HIS 78 -11.324 -16.808 -11.262 603 HB2 HIS 78 HB2 HIS 78 -11.701 -16.897 -8.789 604 HB3 HIS 78 HB3 HIS 78 -12.670 -15.435 -8.914 605 HD1 HIS 78 HD1 HIS 78 -12.691 -19.047 -10.054 606 HD2 HIS 78 HD2 HIS 78 -15.320 -15.880 -9.493 607 HE1 HIS 78 HE1 HIS 78 -14.979 -20.017 -10.360 608 HE2 HIS 78 HE2 HIS 78 -16.554 -18.129 -9.853 609 H HIS 79 H HIS 79 -11.494 -15.664 -13.232 610 HA HIS 79 HA HIS 79 -13.246 -13.317 -13.319 611 HB2 HIS 79 HB2 HIS 79 -11.047 -13.405 -14.559 612 HB3 HIS 79 HB3 HIS 79 -11.759 -14.625 -15.610 613 HD1 HIS 79 HD1 HIS 79 -12.647 -13.672 -17.717 614 HD2 HIS 79 HD2 HIS 79 -12.799 -10.912 -14.613 615 HE1 HIS 79 HE1 HIS 79 -13.544 -11.560 -18.733 616 HE2 HIS 79 HE2 HIS 79 -13.533 -9.881 -16.868 617 H HIS 80 H HIS 80 -13.341 -16.691 -13.906 618 HA HIS 80 HA HIS 80 -16.130 -16.450 -14.846 619 HB2 HIS 80 HB2 HIS 80 -13.964 -18.280 -15.855 620 HB3 HIS 80 HB3 HIS 80 -15.651 -18.775 -15.947 621 HD1 HIS 80 HD1 HIS 80 -13.127 -16.796 -17.690 622 HD2 HIS 80 HD2 HIS 80 -17.275 -16.967 -17.550 623 HE1 HIS 80 HE1 HIS 80 -13.922 -15.601 -19.747 624 HE2 HIS 80 HE2 HIS 80 -16.419 -15.868 -19.725 Start of MODEL 15 1 H1 MET 1 H1 MET 1 10.184 -14.394 2.872 2 H2 MET 1 H2 MET 1 9.905 -15.334 1.491 3 H3 MET 1 H3 MET 1 10.174 -13.669 1.345 4 HA MET 1 HA MET 1 12.414 -13.865 2.052 5 HB2 MET 1 HB2 MET 1 11.774 -16.808 2.390 6 HB3 MET 1 HB3 MET 1 13.393 -16.120 2.473 7 HG2 MET 1 HG2 MET 1 12.520 -16.488 4.697 8 HG3 MET 1 HG3 MET 1 12.724 -14.765 4.392 9 HE1 MET 1 HE1 MET 1 10.220 -17.713 4.899 10 HE2 MET 1 HE2 MET 1 9.857 -17.245 3.236 11 HE3 MET 1 HE3 MET 1 8.668 -16.967 4.513 12 H ALA 2 H ALA 2 14.153 -14.400 0.607 13 HA ALA 2 HA ALA 2 15.115 -14.751 -1.421 14 HB1 ALA 2 HB1 ALA 2 14.560 -17.089 -0.972 15 HB2 ALA 2 HB2 ALA 2 14.448 -16.728 -2.696 16 HB3 ALA 2 HB3 ALA 2 12.980 -16.866 -1.727 17 H GLY 3 H GLY 3 12.921 -12.775 -1.172 18 HA2 GLY 3 HA2 GLY 3 12.576 -12.271 -4.010 19 HA3 GLY 3 HA3 GLY 3 11.083 -12.621 -3.159 20 H ASP 4 H ASP 4 11.009 -10.330 -4.315 21 HA ASP 4 HA ASP 4 10.777 -8.460 -2.163 22 HB2 ASP 4 HB2 ASP 4 12.227 -6.689 -3.165 23 HB3 ASP 4 HB3 ASP 4 13.129 -8.079 -2.574 24 HA PRO 5 HA PRO 5 7.599 -8.278 -5.608 25 HB2 PRO 5 HB2 PRO 5 5.987 -7.596 -3.182 26 HB3 PRO 5 HB3 PRO 5 5.594 -8.671 -4.531 27 HG2 PRO 5 HG2 PRO 5 6.302 -9.689 -2.185 28 HG3 PRO 5 HG3 PRO 5 6.893 -10.416 -3.692 29 HD2 PRO 5 HD2 PRO 5 8.327 -8.622 -1.764 30 HD3 PRO 5 HD3 PRO 5 8.930 -10.044 -2.643 31 H MET 6 H MET 6 7.370 -6.079 -2.775 32 HA MET 6 HA MET 6 7.103 -3.817 -2.607 33 HB2 MET 6 HB2 MET 6 8.931 -3.867 -5.022 34 HB3 MET 6 HB3 MET 6 8.612 -2.451 -4.028 35 HG2 MET 6 HG2 MET 6 9.583 -3.618 -2.090 36 HG3 MET 6 HG3 MET 6 9.942 -5.001 -3.122 37 HE1 MET 6 HE1 MET 6 12.100 -3.499 -1.296 38 HE2 MET 6 HE2 MET 6 13.473 -3.428 -2.398 39 HE3 MET 6 HE3 MET 6 12.491 -4.889 -2.307 40 H THR 7 H THR 7 5.107 -5.225 -4.219 41 HA THR 7 HA THR 7 4.384 -4.004 -6.605 42 HB THR 7 HB THR 7 2.064 -4.734 -6.143 43 HG1 THR 7 HG1 THR 7 1.411 -5.102 -4.156 44 HG21 THR 7 HG21 THR 7 4.141 -6.760 -5.281 45 HG22 THR 7 HG22 THR 7 3.692 -6.390 -6.945 46 HG23 THR 7 HG23 THR 7 2.514 -7.125 -5.859 47 H PHE 8 H PHE 8 3.313 -3.117 -3.323 48 HA PHE 8 HA PHE 8 1.733 -0.918 -3.902 49 HB2 PHE 8 HB2 PHE 8 1.850 -1.794 -1.662 50 HB3 PHE 8 HB3 PHE 8 3.566 -1.428 -1.550 51 HD1 PHE 8 HD1 PHE 8 0.218 0.156 -1.852 52 HD2 PHE 8 HD2 PHE 8 4.293 0.632 -0.695 53 HE1 PHE 8 HE1 PHE 8 -0.320 2.340 -0.857 54 HE2 PHE 8 HE2 PHE 8 3.756 2.815 0.300 55 HZ PHE 8 HZ PHE 8 1.447 3.671 0.221 56 H TYR 9 H TYR 9 5.257 -1.062 -3.576 57 HA TYR 9 HA TYR 9 5.812 1.688 -3.656 58 HB2 TYR 9 HB2 TYR 9 7.431 -0.105 -3.017 59 HB3 TYR 9 HB3 TYR 9 7.545 -0.566 -4.709 60 HD1 TYR 9 HD1 TYR 9 8.414 1.996 -2.219 61 HD2 TYR 9 HD2 TYR 9 8.831 0.773 -6.279 62 HE1 TYR 9 HE1 TYR 9 10.247 3.609 -2.513 63 HE2 TYR 9 HE2 TYR 9 10.667 2.380 -6.579 64 HH TYR 9 HH TYR 9 11.461 4.499 -5.537 65 H ASN 10 H ASN 10 5.943 -0.692 -6.334 66 HA ASN 10 HA ASN 10 6.423 1.139 -8.403 67 HB2 ASN 10 HB2 ASN 10 6.680 -1.310 -8.640 68 HB3 ASN 10 HB3 ASN 10 4.931 -1.500 -8.567 69 HD21 ASN 10 HD21 ASN 10 3.692 -0.930 -10.351 70 HD22 ASN 10 HD22 ASN 10 4.388 -0.599 -11.894 71 H PHE 11 H PHE 11 3.384 0.073 -6.953 72 HA PHE 11 HA PHE 11 1.606 1.243 -8.807 73 HB2 PHE 11 HB2 PHE 11 0.885 -0.432 -7.171 74 HB3 PHE 11 HB3 PHE 11 1.227 0.681 -5.852 75 HD1 PHE 11 HD1 PHE 11 -1.007 0.018 -8.721 76 HD2 PHE 11 HD2 PHE 11 -0.343 2.370 -5.229 77 HE1 PHE 11 HE1 PHE 11 -3.310 0.871 -8.856 78 HE2 PHE 11 HE2 PHE 11 -2.645 3.222 -5.364 79 HZ PHE 11 HZ PHE 11 -4.135 2.473 -7.177 80 H ILE 12 H ILE 12 2.901 2.516 -5.729 81 HA ILE 12 HA ILE 12 1.419 4.957 -5.927 82 HB ILE 12 HB ILE 12 2.123 3.917 -3.772 83 HG12 ILE 12 HG12 ILE 12 2.687 6.047 -2.633 84 HG13 ILE 12 HG13 ILE 12 3.043 6.779 -4.195 85 HG21 ILE 12 HG21 ILE 12 4.861 4.968 -4.488 86 HG22 ILE 12 HG22 ILE 12 4.389 3.270 -4.401 87 HG23 ILE 12 HG23 ILE 12 4.390 4.261 -2.941 88 HD11 ILE 12 HD11 ILE 12 0.728 6.524 -4.865 89 HD12 ILE 12 HD12 ILE 12 0.843 7.413 -3.350 90 HD13 ILE 12 HD13 ILE 12 0.356 5.719 -3.340 91 H MET 13 H MET 13 4.427 3.926 -7.260 92 HA MET 13 HA MET 13 5.908 6.255 -7.475 93 HB2 MET 13 HB2 MET 13 5.588 3.983 -9.436 94 HB3 MET 13 HB3 MET 13 6.725 5.295 -9.693 95 HG2 MET 13 HG2 MET 13 6.743 3.422 -7.333 96 HG3 MET 13 HG3 MET 13 7.776 3.287 -8.752 97 HE1 MET 13 HE1 MET 13 6.708 5.941 -5.968 98 HE2 MET 13 HE2 MET 13 8.289 6.156 -5.218 99 HE3 MET 13 HE3 MET 13 7.514 4.571 -5.205 100 H GLY 14 H GLY 14 3.121 5.294 -9.442 101 HA2 GLY 14 HA2 GLY 14 3.239 7.296 -11.403 102 HA3 GLY 14 HA3 GLY 14 1.769 6.511 -10.848 103 H PHE 15 H PHE 15 1.807 7.379 -8.161 104 HA PHE 15 HA PHE 15 0.742 10.039 -8.452 105 HB2 PHE 15 HB2 PHE 15 1.186 8.406 -5.934 106 HB3 PHE 15 HB3 PHE 15 0.188 9.849 -6.069 107 HD1 PHE 15 HD1 PHE 15 0.492 6.308 -7.089 108 HD2 PHE 15 HD2 PHE 15 -2.046 9.727 -6.875 109 HE1 PHE 15 HE1 PHE 15 -1.444 4.903 -7.655 110 HE2 PHE 15 HE2 PHE 15 -3.984 8.319 -7.439 111 HZ PHE 15 HZ PHE 15 -3.686 5.906 -7.832 112 H GLN 16 H GLN 16 3.819 8.781 -7.830 113 HA GLN 16 HA GLN 16 4.797 11.067 -6.310 114 HB2 GLN 16 HB2 GLN 16 5.564 8.712 -5.886 115 HB3 GLN 16 HB3 GLN 16 6.333 8.719 -7.463 116 HG2 GLN 16 HG2 GLN 16 7.048 10.773 -5.398 117 HG3 GLN 16 HG3 GLN 16 7.754 9.160 -5.351 118 HE21 GLN 16 HE21 GLN 16 9.044 11.718 -5.768 119 HE22 GLN 16 HE22 GLN 16 9.839 11.624 -7.298 120 H ASN 17 H ASN 17 4.648 9.944 -9.591 121 HA ASN 17 HA ASN 17 6.708 11.350 -10.822 122 HB2 ASN 17 HB2 ASN 17 5.215 9.668 -11.918 123 HB3 ASN 17 HB3 ASN 17 3.934 10.878 -11.956 124 HD21 ASN 17 HD21 ASN 17 6.992 9.905 -13.262 125 HD22 ASN 17 HD22 ASN 17 6.992 10.992 -14.605 126 H ASP 18 H ASP 18 3.287 12.443 -10.775 127 HA ASP 18 HA ASP 18 4.210 15.222 -10.661 128 HB2 ASP 18 HB2 ASP 18 1.772 15.776 -10.929 129 HB3 ASP 18 HB3 ASP 18 2.463 14.870 -12.269 130 H ASN 19 H ASN 19 4.357 16.265 -8.768 131 HA ASN 19 HA ASN 19 4.204 14.788 -6.393 132 HB2 ASN 19 HB2 ASN 19 4.450 17.784 -6.701 133 HB3 ASN 19 HB3 ASN 19 4.849 16.856 -5.256 134 HD21 ASN 19 HD21 ASN 19 6.651 15.463 -5.315 135 HD22 ASN 19 HD22 ASN 19 7.907 15.676 -6.481 136 H THR 20 H THR 20 2.178 14.002 -6.002 137 HA THR 20 HA THR 20 0.017 15.883 -5.344 138 HB THR 20 HB THR 20 -1.402 13.876 -5.123 139 HG1 THR 20 HG1 THR 20 0.655 12.244 -6.150 140 HG21 THR 20 HG21 THR 20 -1.190 14.913 -7.334 141 HG22 THR 20 HG22 THR 20 -1.402 13.167 -7.471 142 HG23 THR 20 HG23 THR 20 0.196 13.883 -7.690 143 HA PRO 21 HA PRO 21 0.504 15.603 -0.899 144 HB2 PRO 21 HB2 PRO 21 -2.112 15.016 -0.133 145 HB3 PRO 21 HB3 PRO 21 -1.485 16.637 -0.446 146 HG2 PRO 21 HG2 PRO 21 -3.041 14.823 -2.261 147 HG3 PRO 21 HG3 PRO 21 -3.192 16.577 -2.026 148 HD2 PRO 21 HD2 PRO 21 -1.936 15.587 -4.168 149 HD3 PRO 21 HD3 PRO 21 -1.316 17.037 -3.346 150 H PHE 22 H PHE 22 -1.032 13.027 -2.671 151 HA PHE 22 HA PHE 22 -0.648 11.049 -0.585 152 HB2 PHE 22 HB2 PHE 22 -1.404 10.589 -3.479 153 HB3 PHE 22 HB3 PHE 22 -1.650 9.490 -2.124 154 HD1 PHE 22 HD1 PHE 22 -3.143 10.455 -0.173 155 HD2 PHE 22 HD2 PHE 22 -3.176 11.896 -4.182 156 HE1 PHE 22 HE1 PHE 22 -5.383 11.399 0.183 157 HE2 PHE 22 HE2 PHE 22 -5.417 12.842 -3.824 158 HZ PHE 22 HZ PHE 22 -6.524 12.596 -1.640 159 H GLY 23 H GLY 23 0.845 11.991 -3.656 160 HA2 GLY 23 HA2 GLY 23 2.695 9.891 -3.917 161 HA3 GLY 23 HA3 GLY 23 2.881 11.499 -4.594 162 H ILE 24 H ILE 24 2.716 12.598 -1.746 163 HA ILE 24 HA ILE 24 5.428 12.794 -1.105 164 HB ILE 24 HB ILE 24 3.081 12.999 0.804 165 HG12 ILE 24 HG12 ILE 24 2.800 14.499 -1.118 166 HG13 ILE 24 HG13 ILE 24 3.163 15.425 0.333 167 HG21 ILE 24 HG21 ILE 24 5.150 12.820 2.028 168 HG22 ILE 24 HG22 ILE 24 4.582 14.487 2.107 169 HG23 ILE 24 HG23 ILE 24 5.902 14.055 1.018 170 HD11 ILE 24 HD11 ILE 24 5.113 14.740 -1.860 171 HD12 ILE 24 HD12 ILE 24 5.483 15.669 -0.407 172 HD13 ILE 24 HD13 ILE 24 4.346 16.303 -1.596 173 H LEU 25 H LEU 25 3.002 10.447 -0.075 174 HA LEU 25 HA LEU 25 4.453 9.058 1.878 175 HB2 LEU 25 HB2 LEU 25 2.009 8.813 1.301 176 HB3 LEU 25 HB3 LEU 25 2.485 7.874 -0.095 177 HG LEU 25 HG LEU 25 1.674 6.582 1.936 178 HD11 LEU 25 HD11 LEU 25 4.408 5.904 0.863 179 HD12 LEU 25 HD12 LEU 25 2.861 5.480 0.129 180 HD13 LEU 25 HD13 LEU 25 3.316 4.792 1.689 181 HD21 LEU 25 HD21 LEU 25 4.388 7.349 3.013 182 HD22 LEU 25 HD22 LEU 25 3.282 6.177 3.728 183 HD23 LEU 25 HD23 LEU 25 2.829 7.879 3.653 184 H ALA 26 H ALA 26 4.275 8.550 -1.639 185 HA ALA 26 HA ALA 26 5.989 6.351 -1.856 186 HB1 ALA 26 HB1 ALA 26 5.633 8.588 -3.851 187 HB2 ALA 26 HB2 ALA 26 4.578 7.186 -3.689 188 HB3 ALA 26 HB3 ALA 26 6.253 6.971 -4.187 189 H GLU 27 H GLU 27 6.722 9.820 -1.892 190 HA GLU 27 HA GLU 27 9.467 9.663 -2.435 191 HB2 GLU 27 HB2 GLU 27 8.208 11.754 -2.554 192 HB3 GLU 27 HB3 GLU 27 7.930 11.716 -0.820 193 HG2 GLU 27 HG2 GLU 27 9.674 13.314 -1.444 194 HG3 GLU 27 HG3 GLU 27 10.295 12.041 -0.396 195 H HIS 28 H HIS 28 7.745 9.661 0.683 196 HA HIS 28 HA HIS 28 10.126 9.593 2.248 197 HB2 HIS 28 HB2 HIS 28 7.964 10.432 3.124 198 HB3 HIS 28 HB3 HIS 28 7.330 8.789 3.081 199 HD1 HIS 28 HD1 HIS 28 9.937 10.872 4.870 200 HD2 HIS 28 HD2 HIS 28 8.005 7.213 5.232 201 HE1 HIS 28 HE1 HIS 28 10.599 9.979 7.120 202 HE2 HIS 28 HE2 HIS 28 9.647 7.657 7.169 203 H VAL 29 H VAL 29 7.875 6.987 1.203 204 HA VAL 29 HA VAL 29 9.161 4.950 2.693 205 HB VAL 29 HB VAL 29 8.055 3.315 1.253 206 HG11 VAL 29 HG11 VAL 29 5.737 3.980 1.704 207 HG12 VAL 29 HG12 VAL 29 6.272 5.634 2.009 208 HG13 VAL 29 HG13 VAL 29 6.793 4.328 3.075 209 HG21 VAL 29 HG21 VAL 29 7.192 5.688 -0.411 210 HG22 VAL 29 HG22 VAL 29 6.638 4.026 -0.620 211 HG23 VAL 29 HG23 VAL 29 8.329 4.436 -0.906 212 H SER 30 H SER 30 9.981 6.455 -0.335 213 HA SER 30 HA SER 30 11.927 4.575 -1.214 214 HB2 SER 30 HB2 SER 30 11.118 6.318 -2.726 215 HB3 SER 30 HB3 SER 30 11.765 7.573 -1.668 216 HG SER 30 HG SER 30 13.364 7.360 -3.076 217 H GLU 31 H GLU 31 12.067 7.361 0.969 218 HA GLU 31 HA GLU 31 14.826 7.328 1.541 219 HB2 GLU 31 HB2 GLU 31 13.378 9.181 2.223 220 HB3 GLU 31 HB3 GLU 31 12.478 8.118 3.296 221 HG2 GLU 31 HG2 GLU 31 14.533 7.790 4.638 222 HG3 GLU 31 HG3 GLU 31 15.361 8.950 3.599 223 H ASP 32 H ASP 32 12.114 5.826 3.314 224 HA ASP 32 HA ASP 32 13.716 4.380 5.146 225 HB2 ASP 32 HB2 ASP 32 10.852 3.972 4.258 226 HB3 ASP 32 HB3 ASP 32 11.599 3.114 5.604 227 H LYS 33 H LYS 33 13.443 3.848 1.860 228 HA LYS 33 HA LYS 33 13.281 1.045 1.665 229 HB2 LYS 33 HB2 LYS 33 13.160 2.683 -0.241 230 HB3 LYS 33 HB3 LYS 33 14.896 2.893 -0.112 231 HG2 LYS 33 HG2 LYS 33 13.749 0.157 -0.555 232 HG3 LYS 33 HG3 LYS 33 13.902 1.282 -1.901 233 HD2 LYS 33 HD2 LYS 33 16.159 0.349 -0.116 234 HD3 LYS 33 HD3 LYS 33 15.834 -0.227 -1.749 235 HE2 LYS 33 HE2 LYS 33 16.545 2.609 -0.981 236 HE3 LYS 33 HE3 LYS 33 17.637 1.437 -1.712 237 HZ1 LYS 33 HZ1 LYS 33 15.174 2.543 -2.963 238 HZ2 LYS 33 HZ2 LYS 33 16.190 1.381 -3.662 239 HZ3 LYS 33 HZ3 LYS 33 16.767 2.941 -3.367 240 H ALA 34 H ALA 34 15.927 3.172 2.523 241 HA ALA 34 HA ALA 34 17.934 1.079 2.520 242 HB1 ALA 34 HB1 ALA 34 18.545 3.384 1.975 243 HB2 ALA 34 HB2 ALA 34 19.430 2.810 3.389 244 HB3 ALA 34 HB3 ALA 34 18.060 3.904 3.590 245 H PHE 35 H PHE 35 15.452 1.047 4.350 246 HA PHE 35 HA PHE 35 16.874 0.539 6.889 247 HB2 PHE 35 HB2 PHE 35 15.349 2.526 6.970 248 HB3 PHE 35 HB3 PHE 35 14.002 1.473 6.559 249 HD1 PHE 35 HD1 PHE 35 16.488 2.292 9.158 250 HD2 PHE 35 HD2 PHE 35 12.951 0.109 8.215 251 HE1 PHE 35 HE1 PHE 35 16.136 1.833 11.549 252 HE2 PHE 35 HE2 PHE 35 12.599 -0.353 10.605 253 HZ PHE 35 HZ PHE 35 14.189 0.509 12.274 254 HA PRO 36 HA PRO 36 15.542 -3.736 6.531 255 HB2 PRO 36 HB2 PRO 36 15.081 -4.136 9.274 256 HB3 PRO 36 HB3 PRO 36 16.607 -4.401 8.427 257 HG2 PRO 36 HG2 PRO 36 15.702 -2.032 10.014 258 HG3 PRO 36 HG3 PRO 36 17.314 -2.771 9.915 259 HD2 PRO 36 HD2 PRO 36 16.772 -0.497 8.626 260 HD3 PRO 36 HD3 PRO 36 17.789 -1.743 7.870 261 H ARG 37 H ARG 37 13.580 -3.662 5.517 262 HA ARG 37 HA ARG 37 11.175 -3.474 7.216 263 HB2 ARG 37 HB2 ARG 37 11.596 -2.338 4.442 264 HB3 ARG 37 HB3 ARG 37 10.004 -2.527 5.171 265 HG2 ARG 37 HG2 ARG 37 10.442 -0.913 6.821 266 HG3 ARG 37 HG3 ARG 37 12.183 -0.960 6.530 267 HD2 ARG 37 HD2 ARG 37 11.143 1.076 5.629 268 HD3 ARG 37 HD3 ARG 37 11.886 0.095 4.370 269 HE ARG 37 HE ARG 37 9.092 -0.452 4.685 270 HH11 ARG 37 HH11 ARG 37 11.378 1.680 3.252 271 HH12 ARG 37 HH12 ARG 37 10.313 2.165 1.983 272 HH21 ARG 37 HH21 ARG 37 7.719 0.150 3.060 273 HH22 ARG 37 HH22 ARG 37 8.246 1.300 1.882 274 H LEU 38 H LEU 38 12.401 -4.605 4.064 275 HA LEU 38 HA LEU 38 11.874 -6.380 2.745 276 HB2 LEU 38 HB2 LEU 38 11.749 -7.653 5.477 277 HB3 LEU 38 HB3 LEU 38 11.622 -8.579 3.994 278 HG LEU 38 HG LEU 38 13.887 -7.731 3.338 279 HD11 LEU 38 HD11 LEU 38 13.959 -6.679 6.166 280 HD12 LEU 38 HD12 LEU 38 13.963 -5.709 4.693 281 HD13 LEU 38 HD13 LEU 38 15.329 -6.763 5.058 282 HD21 LEU 38 HD21 LEU 38 13.608 -9.938 4.307 283 HD22 LEU 38 HD22 LEU 38 13.718 -9.259 5.933 284 HD23 LEU 38 HD23 LEU 38 15.116 -9.207 4.859 285 H GLU 39 H GLU 39 9.845 -5.111 2.271 286 HA GLU 39 HA GLU 39 7.411 -6.190 3.448 287 HB2 GLU 39 HB2 GLU 39 7.805 -3.916 1.487 288 HB3 GLU 39 HB3 GLU 39 6.274 -4.362 2.236 289 HG2 GLU 39 HG2 GLU 39 7.135 -3.824 4.428 290 HG3 GLU 39 HG3 GLU 39 8.731 -3.500 3.759 291 H GLU 40 H GLU 40 7.460 -8.272 2.561 292 HA GLU 40 HA GLU 40 6.935 -8.547 -0.322 293 HB2 GLU 40 HB2 GLU 40 7.125 -10.723 1.780 294 HB3 GLU 40 HB3 GLU 40 7.161 -10.930 0.036 295 HG2 GLU 40 HG2 GLU 40 9.329 -9.852 -0.084 296 HG3 GLU 40 HG3 GLU 40 9.282 -9.521 1.651 297 H ARG 41 H ARG 41 5.581 -9.613 2.769 298 HA ARG 41 HA ARG 41 3.095 -10.515 1.793 299 HB2 ARG 41 HB2 ARG 41 3.816 -9.564 4.579 300 HB3 ARG 41 HB3 ARG 41 2.441 -10.577 4.153 301 HG2 ARG 41 HG2 ARG 41 3.793 -12.423 3.666 302 HG3 ARG 41 HG3 ARG 41 5.249 -11.436 3.537 303 HD2 ARG 41 HD2 ARG 41 5.285 -12.718 5.595 304 HD3 ARG 41 HD3 ARG 41 5.159 -10.997 5.949 305 HE ARG 41 HE ARG 41 2.826 -11.357 6.480 306 HH11 ARG 41 HH11 ARG 41 4.731 -14.202 6.131 307 HH12 ARG 41 HH12 ARG 41 3.728 -15.134 7.184 308 HH21 ARG 41 HH21 ARG 41 1.550 -12.555 7.830 309 HH22 ARG 41 HH22 ARG 41 1.945 -14.215 8.139 310 H HIS 42 H HIS 42 1.361 -9.395 1.146 311 HA HIS 42 HA HIS 42 1.504 -6.639 0.707 312 HB2 HIS 42 HB2 HIS 42 -1.010 -8.326 0.741 313 HB3 HIS 42 HB3 HIS 42 -0.784 -6.799 -0.106 314 HD1 HIS 42 HD1 HIS 42 -1.672 -9.003 -1.858 315 HD2 HIS 42 HD2 HIS 42 2.353 -8.444 -0.981 316 HE1 HIS 42 HE1 HIS 42 -0.412 -10.173 -3.687 317 HE2 HIS 42 HE2 HIS 42 2.002 -10.012 -3.001 318 H GLN 43 H GLN 43 0.378 -8.331 3.502 319 HA GLN 43 HA GLN 43 -1.329 -6.224 4.477 320 HB2 GLN 43 HB2 GLN 43 -1.749 -8.624 4.933 321 HB3 GLN 43 HB3 GLN 43 -0.278 -8.689 5.888 322 HG2 GLN 43 HG2 GLN 43 -2.490 -6.788 6.591 323 HG3 GLN 43 HG3 GLN 43 -2.552 -8.476 7.084 324 HE21 GLN 43 HE21 GLN 43 0.347 -8.639 7.474 325 HE22 GLN 43 HE22 GLN 43 0.672 -7.782 8.939 326 H VAL 44 H VAL 44 2.056 -7.126 4.972 327 HA VAL 44 HA VAL 44 2.404 -6.005 7.530 328 HB VAL 44 HB VAL 44 4.791 -6.075 7.170 329 HG11 VAL 44 HG11 VAL 44 5.057 -8.432 6.526 330 HG12 VAL 44 HG12 VAL 44 3.414 -8.435 5.887 331 HG13 VAL 44 HG13 VAL 44 3.687 -8.192 7.612 332 HG21 VAL 44 HG21 VAL 44 5.771 -6.657 4.986 333 HG22 VAL 44 HG22 VAL 44 4.931 -5.108 4.940 334 HG23 VAL 44 HG23 VAL 44 4.175 -6.541 4.247 335 H ILE 45 H ILE 45 2.665 -4.506 4.343 336 HA ILE 45 HA ILE 45 3.922 -2.112 5.019 337 HB ILE 45 HB ILE 45 1.734 -2.459 2.951 338 HG12 ILE 45 HG12 ILE 45 4.734 -2.810 2.652 339 HG13 ILE 45 HG13 ILE 45 3.570 -4.128 2.721 340 HG21 ILE 45 HG21 ILE 45 3.971 -0.430 3.151 341 HG22 ILE 45 HG22 ILE 45 2.252 -0.115 3.392 342 HG23 ILE 45 HG23 ILE 45 2.848 -0.583 1.800 343 HD11 ILE 45 HD11 ILE 45 2.543 -3.320 0.656 344 HD12 ILE 45 HD12 ILE 45 4.258 -3.678 0.444 345 HD13 ILE 45 HD13 ILE 45 3.718 -2.006 0.590 346 H ARG 46 H ARG 46 0.517 -3.025 5.275 347 HA ARG 46 HA ARG 46 -0.525 -0.488 5.953 348 HB2 ARG 46 HB2 ARG 46 -1.963 -2.324 5.227 349 HB3 ARG 46 HB3 ARG 46 -1.547 -3.253 6.662 350 HG2 ARG 46 HG2 ARG 46 -2.644 -1.609 8.073 351 HG3 ARG 46 HG3 ARG 46 -3.009 -0.614 6.662 352 HD2 ARG 46 HD2 ARG 46 -4.459 -2.326 5.772 353 HD3 ARG 46 HD3 ARG 46 -3.998 -3.438 7.064 354 HE ARG 46 HE ARG 46 -5.001 -1.595 8.558 355 HH11 ARG 46 HH11 ARG 46 -6.200 -2.448 5.432 356 HH12 ARG 46 HH12 ARG 46 -7.815 -1.984 5.826 357 HH21 ARG 46 HH21 ARG 46 -7.080 -1.058 9.045 358 HH22 ARG 46 HH22 ARG 46 -8.305 -1.201 7.835 359 H ALA 47 H ALA 47 0.991 -3.005 7.892 360 HA ALA 47 HA ALA 47 0.314 -1.994 10.455 361 HB1 ALA 47 HB1 ALA 47 2.696 -3.655 9.627 362 HB2 ALA 47 HB2 ALA 47 1.123 -4.270 10.130 363 HB3 ALA 47 HB3 ALA 47 2.139 -3.406 11.281 364 H TYR 48 H TYR 48 3.197 -1.518 8.407 365 HA TYR 48 HA TYR 48 4.684 0.133 10.078 366 HB2 TYR 48 HB2 TYR 48 4.463 0.068 7.065 367 HB3 TYR 48 HB3 TYR 48 5.590 1.130 7.900 368 HD1 TYR 48 HD1 TYR 48 7.544 0.228 9.041 369 HD2 TYR 48 HD2 TYR 48 4.826 -2.350 7.016 370 HE1 TYR 48 HE1 TYR 48 9.199 -1.584 9.139 371 HE2 TYR 48 HE2 TYR 48 6.477 -4.171 7.111 372 HH TYR 48 HH TYR 48 8.905 -4.461 7.341 373 H VAL 49 H VAL 49 2.283 1.157 7.624 374 HA VAL 49 HA VAL 49 2.605 3.921 8.219 375 HB VAL 49 HB VAL 49 0.615 4.300 6.804 376 HG11 VAL 49 HG11 VAL 49 2.825 4.133 5.792 377 HG12 VAL 49 HG12 VAL 49 1.600 3.457 4.718 378 HG13 VAL 49 HG13 VAL 49 2.645 2.382 5.648 379 HG21 VAL 49 HG21 VAL 49 -0.712 2.341 7.367 380 HG22 VAL 49 HG22 VAL 49 0.499 1.282 6.641 381 HG23 VAL 49 HG23 VAL 49 -0.423 2.393 5.630 382 H MET 50 H MET 50 -0.111 1.686 9.045 383 HA MET 50 HA MET 50 -1.646 3.748 10.238 384 HB2 MET 50 HB2 MET 50 -1.856 0.756 10.604 385 HB3 MET 50 HB3 MET 50 -3.060 1.923 11.137 386 HG2 MET 50 HG2 MET 50 -3.256 2.655 8.738 387 HG3 MET 50 HG3 MET 50 -2.255 1.268 8.312 388 HE1 MET 50 HE1 MET 50 -6.474 1.029 10.166 389 HE2 MET 50 HE2 MET 50 -5.654 2.526 9.720 390 HE3 MET 50 HE3 MET 50 -5.077 1.579 11.091 391 H SER 51 H SER 51 0.942 1.848 11.508 392 HA SER 51 HA SER 51 0.246 2.320 14.285 393 HB2 SER 51 HB2 SER 51 1.392 0.245 13.719 394 HB3 SER 51 HB3 SER 51 2.749 1.144 13.044 395 HG SER 51 HG SER 51 3.035 0.354 15.247 396 H ASN 52 H ASN 52 2.486 3.721 11.917 397 HA ASN 52 HA ASN 52 3.541 5.482 14.044 398 HB2 ASN 52 HB2 ASN 52 4.872 4.737 11.434 399 HB3 ASN 52 HB3 ASN 52 5.580 5.689 12.736 400 HD21 ASN 52 HD21 ASN 52 4.755 2.525 11.636 401 HD22 ASN 52 HD22 ASN 52 5.555 1.659 12.896 402 H TYR 53 H TYR 53 1.446 5.625 11.457 403 HA TYR 53 HA TYR 53 2.118 8.450 10.899 404 HB2 TYR 53 HB2 TYR 53 0.892 6.375 9.071 405 HB3 TYR 53 HB3 TYR 53 0.922 8.095 8.696 406 HD1 TYR 53 HD1 TYR 53 3.275 5.354 9.705 407 HD2 TYR 53 HD2 TYR 53 2.679 8.889 7.407 408 HE1 TYR 53 HE1 TYR 53 5.523 5.105 8.749 409 HE2 TYR 53 HE2 TYR 53 4.929 8.650 6.450 410 HH TYR 53 HH TYR 53 6.873 5.804 6.993 411 H THR 54 H THR 54 0.561 9.975 11.026 412 HA THR 54 HA THR 54 -2.085 9.146 12.049 413 HB THR 54 HB THR 54 -2.278 11.441 12.946 414 HG1 THR 54 HG1 THR 54 -0.791 12.939 12.536 415 HG21 THR 54 HG21 THR 54 -1.310 9.700 14.380 416 HG22 THR 54 HG22 THR 54 -0.575 11.270 14.707 417 HG23 THR 54 HG23 THR 54 0.297 10.069 13.751 418 H ASP 55 H ASP 55 -0.470 11.015 9.565 419 HA ASP 55 HA ASP 55 -2.565 12.599 8.647 420 HB2 ASP 55 HB2 ASP 55 -0.211 11.414 7.171 421 HB3 ASP 55 HB3 ASP 55 -1.304 12.596 6.456 422 H HIS 56 H HIS 56 -4.522 11.979 8.011 423 HA HIS 56 HA HIS 56 -5.312 9.467 7.112 424 HB2 HIS 56 HB2 HIS 56 -6.522 12.190 6.617 425 HB3 HIS 56 HB3 HIS 56 -7.304 10.693 6.123 426 HD1 HIS 56 HD1 HIS 56 -8.355 9.246 7.967 427 HD2 HIS 56 HD2 HIS 56 -6.568 12.721 9.377 428 HE1 HIS 56 HE1 HIS 56 -9.155 9.501 10.329 429 HE2 HIS 56 HE2 HIS 56 -8.201 11.693 11.100 430 H GLN 57 H GLN 57 -4.134 12.243 5.248 431 HA GLN 57 HA GLN 57 -4.651 11.371 2.657 432 HB2 GLN 57 HB2 GLN 57 -2.242 12.904 3.672 433 HB3 GLN 57 HB3 GLN 57 -2.683 12.746 1.978 434 HG2 GLN 57 HG2 GLN 57 -4.351 14.079 4.111 435 HG3 GLN 57 HG3 GLN 57 -3.358 14.902 2.909 436 HE21 GLN 57 HE21 GLN 57 -6.299 13.156 3.477 437 HE22 GLN 57 HE22 GLN 57 -7.019 13.472 1.940 438 H LEU 58 H LEU 58 -2.045 10.414 4.834 439 HA LEU 58 HA LEU 58 -0.745 8.788 2.802 440 HB2 LEU 58 HB2 LEU 58 -0.117 9.003 5.753 441 HB3 LEU 58 HB3 LEU 58 0.914 8.318 4.508 442 HG LEU 58 HG LEU 58 0.150 11.233 4.792 443 HD11 LEU 58 HD11 LEU 58 1.782 10.475 6.441 444 HD12 LEU 58 HD12 LEU 58 2.510 11.580 5.275 445 HD13 LEU 58 HD13 LEU 58 2.806 9.842 5.149 446 HD21 LEU 58 HD21 LEU 58 1.687 11.642 2.929 447 HD22 LEU 58 HD22 LEU 58 0.338 10.621 2.434 448 HD23 LEU 58 HD23 LEU 58 1.922 9.907 2.731 449 H ILE 59 H ILE 59 -2.624 8.294 5.776 450 HA ILE 59 HA ILE 59 -2.444 5.493 5.924 451 HB ILE 59 HB ILE 59 -4.693 7.300 6.850 452 HG12 ILE 59 HG12 ILE 59 -2.519 7.856 7.860 453 HG13 ILE 59 HG13 ILE 59 -3.603 7.153 9.055 454 HG21 ILE 59 HG21 ILE 59 -4.087 4.428 7.574 455 HG22 ILE 59 HG22 ILE 59 -5.500 5.023 6.700 456 HG23 ILE 59 HG23 ILE 59 -5.267 5.449 8.395 457 HD11 ILE 59 HD11 ILE 59 -1.357 6.302 9.322 458 HD12 ILE 59 HD12 ILE 59 -1.346 5.732 7.653 459 HD13 ILE 59 HD13 ILE 59 -2.445 5.008 8.827 460 H GLU 60 H GLU 60 -5.088 7.478 4.544 461 HA GLU 60 HA GLU 60 -6.711 5.442 3.589 462 HB2 GLU 60 HB2 GLU 60 -6.243 8.211 2.454 463 HB3 GLU 60 HB3 GLU 60 -7.545 7.148 1.936 464 HG2 GLU 60 HG2 GLU 60 -7.170 8.121 4.764 465 HG3 GLU 60 HG3 GLU 60 -8.219 8.894 3.575 466 H THR 61 H THR 61 -4.072 7.119 1.879 467 HA THR 61 HA THR 61 -4.307 5.909 -0.611 468 HB THR 61 HB THR 61 -1.766 6.813 0.777 469 HG1 THR 61 HG1 THR 61 -2.496 8.739 0.316 470 HG21 THR 61 HG21 THR 61 -1.257 5.336 -1.121 471 HG22 THR 61 HG22 THR 61 -0.814 7.005 -1.480 472 HG23 THR 61 HG23 THR 61 -2.286 6.319 -2.165 473 H THR 62 H THR 62 -2.253 4.848 2.121 474 HA THR 62 HA THR 62 -1.280 2.513 0.839 475 HB THR 62 HB THR 62 -1.531 2.986 3.827 476 HG1 THR 62 HG1 THR 62 -0.212 4.589 3.254 477 HG21 THR 62 HG21 THR 62 -1.045 0.657 3.268 478 HG22 THR 62 HG22 THR 62 0.375 1.428 3.976 479 HG23 THR 62 HG23 THR 62 0.291 1.168 2.234 480 H ASN 63 H ASN 63 -3.861 2.956 3.250 481 HA ASN 63 HA ASN 63 -4.736 0.340 3.534 482 HB2 ASN 63 HB2 ASN 63 -5.537 2.130 4.966 483 HB3 ASN 63 HB3 ASN 63 -6.312 2.930 3.604 484 HD21 ASN 63 HD21 ASN 63 -8.256 2.134 2.833 485 HD22 ASN 63 HD22 ASN 63 -9.188 0.969 3.700 486 H ARG 64 H ARG 64 -5.555 2.695 1.042 487 HA ARG 64 HA ARG 64 -7.556 1.070 -0.220 488 HB2 ARG 64 HB2 ARG 64 -7.458 3.591 -0.255 489 HB3 ARG 64 HB3 ARG 64 -6.092 3.465 -1.354 490 HG2 ARG 64 HG2 ARG 64 -7.546 2.292 -2.976 491 HG3 ARG 64 HG3 ARG 64 -8.908 2.505 -1.871 492 HD2 ARG 64 HD2 ARG 64 -7.323 4.655 -3.278 493 HD3 ARG 64 HD3 ARG 64 -9.023 4.246 -3.507 494 HE ARG 64 HE ARG 64 -9.070 4.931 -0.962 495 HH11 ARG 64 HH11 ARG 64 -7.513 6.496 -3.601 496 HH12 ARG 64 HH12 ARG 64 -7.524 8.040 -2.834 497 HH21 ARG 64 HH21 ARG 64 -9.109 6.923 -0.003 498 HH22 ARG 64 HH22 ARG 64 -8.432 8.288 -0.825 499 H ALA 65 H ALA 65 -4.249 2.047 -1.129 500 HA ALA 65 HA ALA 65 -4.092 0.767 -3.589 501 HB1 ALA 65 HB1 ALA 65 -1.844 1.278 -1.639 502 HB2 ALA 65 HB2 ALA 65 -2.475 2.425 -2.824 503 HB3 ALA 65 HB3 ALA 65 -1.668 0.953 -3.364 504 H ILE 66 H ILE 66 -3.235 -0.546 -0.381 505 HA ILE 66 HA ILE 66 -2.233 -3.026 -1.255 506 HB ILE 66 HB ILE 66 -3.628 -2.313 1.335 507 HG12 ILE 66 HG12 ILE 66 -0.690 -2.598 0.627 508 HG13 ILE 66 HG13 ILE 66 -1.539 -1.082 0.909 509 HG21 ILE 66 HG21 ILE 66 -3.778 -4.721 0.975 510 HG22 ILE 66 HG22 ILE 66 -2.639 -4.359 2.272 511 HG23 ILE 66 HG23 ILE 66 -2.042 -4.801 0.671 512 HD11 ILE 66 HD11 ILE 66 -1.092 -3.251 2.948 513 HD12 ILE 66 HD12 ILE 66 -1.922 -1.720 3.227 514 HD13 ILE 66 HD13 ILE 66 -0.204 -1.733 2.829 515 H SER 67 H SER 67 -5.549 -1.976 -0.593 516 HA SER 67 HA SER 67 -6.846 -4.459 -0.769 517 HB2 SER 67 HB2 SER 67 -7.889 -1.720 -1.551 518 HB3 SER 67 HB3 SER 67 -8.889 -3.153 -1.304 519 HG SER 67 HG SER 67 -8.010 -1.411 0.513 520 H LEU 68 H LEU 68 -5.603 -2.357 -3.282 521 HA LEU 68 HA LEU 68 -6.860 -3.606 -5.501 522 HB2 LEU 68 HB2 LEU 68 -4.343 -1.986 -5.195 523 HB3 LEU 68 HB3 LEU 68 -4.747 -2.723 -6.732 524 HG LEU 68 HG LEU 68 -5.412 -0.375 -6.683 525 HD11 LEU 68 HD11 LEU 68 -6.728 -1.923 -8.030 526 HD12 LEU 68 HD12 LEU 68 -7.732 -0.622 -7.391 527 HD13 LEU 68 HD13 LEU 68 -7.795 -2.229 -6.658 528 HD21 LEU 68 HD21 LEU 68 -7.197 0.418 -5.208 529 HD22 LEU 68 HD22 LEU 68 -5.790 -0.112 -4.286 530 HD23 LEU 68 HD23 LEU 68 -7.217 -1.143 -4.386 531 H TYR 69 H TYR 69 -3.635 -4.123 -4.038 532 HA TYR 69 HA TYR 69 -3.154 -6.429 -5.726 533 HB2 TYR 69 HB2 TYR 69 -1.513 -5.191 -3.505 534 HB3 TYR 69 HB3 TYR 69 -0.988 -6.571 -4.473 535 HD1 TYR 69 HD1 TYR 69 -0.913 -6.254 -7.028 536 HD2 TYR 69 HD2 TYR 69 -1.095 -3.004 -4.280 537 HE1 TYR 69 HE1 TYR 69 -0.089 -4.737 -8.776 538 HE2 TYR 69 HE2 TYR 69 -0.268 -1.482 -6.023 539 HH TYR 69 HH TYR 69 -0.199 -2.298 -9.291 540 H MET 70 H MET 70 -5.210 -6.208 -3.375 541 HA MET 70 HA MET 70 -4.776 -9.013 -2.578 542 HB2 MET 70 HB2 MET 70 -6.071 -6.813 -0.947 543 HB3 MET 70 HB3 MET 70 -6.109 -8.517 -0.515 544 HG2 MET 70 HG2 MET 70 -3.656 -6.781 -0.740 545 HG3 MET 70 HG3 MET 70 -4.395 -7.372 0.745 546 HE1 MET 70 HE1 MET 70 -4.498 -9.966 1.402 547 HE2 MET 70 HE2 MET 70 -3.762 -11.248 0.440 548 HE3 MET 70 HE3 MET 70 -5.172 -10.386 -0.172 549 H ALA 71 H ALA 71 -7.570 -6.821 -2.243 550 HA ALA 71 HA ALA 71 -9.459 -8.797 -2.884 551 HB1 ALA 71 HB1 ALA 71 -11.094 -7.002 -2.924 552 HB2 ALA 71 HB2 ALA 71 -9.806 -5.802 -3.044 553 HB3 ALA 71 HB3 ALA 71 -9.970 -6.773 -1.580 554 H ASN 72 H ASN 72 -8.356 -6.039 -4.904 555 HA ASN 72 HA ASN 72 -9.820 -6.770 -7.203 556 HB2 ASN 72 HB2 ASN 72 -8.848 -4.517 -6.816 557 HB3 ASN 72 HB3 ASN 72 -7.239 -5.182 -7.057 558 HD21 ASN 72 HD21 ASN 72 -8.800 -3.113 -8.504 559 HD22 ASN 72 HD22 ASN 72 -8.745 -3.606 -10.158 560 H LEU 73 H LEU 73 -6.487 -7.524 -6.213 561 HA LEU 73 HA LEU 73 -5.707 -9.001 -8.453 562 HB2 LEU 73 HB2 LEU 73 -4.184 -8.324 -6.636 563 HB3 LEU 73 HB3 LEU 73 -4.960 -9.475 -5.561 564 HG LEU 73 HG LEU 73 -4.183 -11.328 -7.005 565 HD11 LEU 73 HD11 LEU 73 -2.547 -10.920 -8.767 566 HD12 LEU 73 HD12 LEU 73 -2.713 -9.178 -8.532 567 HD13 LEU 73 HD13 LEU 73 -4.077 -10.122 -9.129 568 HD21 LEU 73 HD21 LEU 73 -2.006 -9.468 -6.044 569 HD22 LEU 73 HD22 LEU 73 -1.793 -11.177 -6.425 570 HD23 LEU 73 HD23 LEU 73 -2.836 -10.696 -5.089 571 H GLU 74 H GLU 74 -7.533 -10.023 -5.574 572 HA GLU 74 HA GLU 74 -7.806 -12.740 -6.265 573 HB2 GLU 74 HB2 GLU 74 -9.578 -10.934 -4.612 574 HB3 GLU 74 HB3 GLU 74 -9.854 -12.663 -4.780 575 HG2 GLU 74 HG2 GLU 74 -7.671 -13.122 -3.788 576 HG3 GLU 74 HG3 GLU 74 -7.368 -11.392 -3.643 577 H HIS 75 H HIS 75 -9.623 -9.886 -7.306 578 HA HIS 75 HA HIS 75 -11.648 -11.323 -8.732 579 HB2 HIS 75 HB2 HIS 75 -10.595 -8.501 -9.016 580 HB3 HIS 75 HB3 HIS 75 -11.884 -9.133 -10.032 581 HD1 HIS 75 HD1 HIS 75 -14.188 -9.506 -8.926 582 HD2 HIS 75 HD2 HIS 75 -11.336 -7.862 -6.403 583 HE1 HIS 75 HE1 HIS 75 -15.459 -8.675 -6.937 584 HE2 HIS 75 HE2 HIS 75 -13.675 -7.962 -5.318 585 H HIS 76 H HIS 76 -8.351 -10.557 -9.389 586 HA HIS 76 HA HIS 76 -8.491 -10.943 -12.254 587 HB2 HIS 76 HB2 HIS 76 -6.868 -9.403 -11.092 588 HB3 HIS 76 HB3 HIS 76 -6.047 -10.822 -10.461 589 HD1 HIS 76 HD1 HIS 76 -4.503 -12.097 -12.062 590 HD2 HIS 76 HD2 HIS 76 -6.482 -8.911 -13.850 591 HE1 HIS 76 HE1 HIS 76 -3.365 -11.755 -14.275 592 HE2 HIS 76 HE2 HIS 76 -4.501 -9.747 -15.282 593 H HIS 77 H HIS 77 -8.894 -13.105 -9.889 594 HA HIS 77 HA HIS 77 -7.921 -15.323 -11.517 595 HB2 HIS 77 HB2 HIS 77 -6.051 -14.852 -9.972 596 HB3 HIS 77 HB3 HIS 77 -7.138 -15.023 -8.600 597 HD1 HIS 77 HD1 HIS 77 -5.977 -17.175 -11.530 598 HD2 HIS 77 HD2 HIS 77 -7.084 -17.517 -7.539 599 HE1 HIS 77 HE1 HIS 77 -5.618 -19.586 -10.936 600 HE2 HIS 77 HE2 HIS 77 -6.469 -19.799 -8.581 601 H HIS 78 H HIS 78 -9.360 -14.628 -8.311 602 HA HIS 78 HA HIS 78 -11.380 -16.726 -8.740 603 HB2 HIS 78 HB2 HIS 78 -10.656 -15.110 -6.277 604 HB3 HIS 78 HB3 HIS 78 -11.972 -16.279 -6.337 605 HD1 HIS 78 HD1 HIS 78 -9.039 -16.220 -4.755 606 HD2 HIS 78 HD2 HIS 78 -10.429 -18.788 -7.709 607 HE1 HIS 78 HE1 HIS 78 -7.686 -18.317 -4.513 608 HE2 HIS 78 HE2 HIS 78 -8.723 -19.927 -6.139 609 H HIS 79 H HIS 79 -13.528 -15.883 -7.369 610 HA HIS 79 HA HIS 79 -14.375 -13.394 -8.725 611 HB2 HIS 79 HB2 HIS 79 -16.082 -15.655 -7.641 612 HB3 HIS 79 HB3 HIS 79 -16.674 -14.236 -8.506 613 HD1 HIS 79 HD1 HIS 79 -16.268 -14.154 -11.068 614 HD2 HIS 79 HD2 HIS 79 -14.925 -17.634 -9.249 615 HE1 HIS 79 HE1 HIS 79 -15.761 -15.738 -12.942 616 HE2 HIS 79 HE2 HIS 79 -14.747 -17.745 -11.819 617 H HIS 80 H HIS 80 -12.896 -13.558 -6.188 618 HA HIS 80 HA HIS 80 -14.688 -13.027 -4.012 619 HB2 HIS 80 HB2 HIS 80 -12.541 -14.026 -3.558 620 HB3 HIS 80 HB3 HIS 80 -11.698 -12.694 -4.336 621 HD1 HIS 80 HD1 HIS 80 -11.670 -10.409 -3.031 622 HD2 HIS 80 HD2 HIS 80 -13.129 -13.648 -0.884 623 HE1 HIS 80 HE1 HIS 80 -11.599 -9.701 -0.625 624 HE2 HIS 80 HE2 HIS 80 -12.309 -11.740 0.659 Start of MODEL 16 1 H1 MET 1 H1 MET 1 14.278 -8.945 0.702 2 H2 MET 1 H2 MET 1 15.805 -8.516 0.130 3 H3 MET 1 H3 MET 1 15.319 -8.040 1.676 4 HA MET 1 HA MET 1 16.867 -9.864 1.810 5 HB2 MET 1 HB2 MET 1 14.022 -10.618 2.542 6 HB3 MET 1 HB3 MET 1 15.464 -11.416 3.164 7 HG2 MET 1 HG2 MET 1 14.549 -9.800 4.756 8 HG3 MET 1 HG3 MET 1 16.175 -9.358 4.233 9 HE1 MET 1 HE1 MET 1 15.853 -6.885 5.157 10 HE2 MET 1 HE2 MET 1 14.233 -7.303 5.714 11 HE3 MET 1 HE3 MET 1 14.484 -5.857 4.738 12 H ALA 2 H ALA 2 13.819 -11.350 0.612 13 HA ALA 2 HA ALA 2 15.385 -12.758 -1.449 14 HB1 ALA 2 HB1 ALA 2 13.421 -14.126 0.392 15 HB2 ALA 2 HB2 ALA 2 15.177 -14.282 0.462 16 HB3 ALA 2 HB3 ALA 2 14.294 -14.874 -0.945 17 H GLY 3 H GLY 3 12.007 -12.685 -0.255 18 HA2 GLY 3 HA2 GLY 3 11.013 -12.598 -2.993 19 HA3 GLY 3 HA3 GLY 3 10.049 -12.734 -1.532 20 H ASP 4 H ASP 4 11.977 -10.447 -3.442 21 HA ASP 4 HA ASP 4 10.325 -8.242 -2.359 22 HB2 ASP 4 HB2 ASP 4 12.794 -8.215 -1.807 23 HB3 ASP 4 HB3 ASP 4 13.111 -8.010 -3.525 24 HA PRO 5 HA PRO 5 9.373 -8.112 -6.856 25 HB2 PRO 5 HB2 PRO 5 6.716 -8.150 -6.716 26 HB3 PRO 5 HB3 PRO 5 7.648 -9.621 -6.412 27 HG2 PRO 5 HG2 PRO 5 6.341 -7.772 -4.458 28 HG3 PRO 5 HG3 PRO 5 6.450 -9.541 -4.428 29 HD2 PRO 5 HD2 PRO 5 8.112 -7.762 -3.033 30 HD3 PRO 5 HD3 PRO 5 8.436 -9.484 -3.315 31 H MET 6 H MET 6 8.950 -5.990 -4.256 32 HA MET 6 HA MET 6 8.476 -3.782 -4.006 33 HB2 MET 6 HB2 MET 6 9.212 -3.757 -6.941 34 HB3 MET 6 HB3 MET 6 8.944 -2.302 -5.991 35 HG2 MET 6 HG2 MET 6 10.787 -2.946 -4.508 36 HG3 MET 6 HG3 MET 6 11.066 -4.381 -5.499 37 HE1 MET 6 HE1 MET 6 14.100 -1.973 -6.334 38 HE2 MET 6 HE2 MET 6 13.638 -3.545 -5.682 39 HE3 MET 6 HE3 MET 6 13.269 -2.075 -4.782 40 H THR 7 H THR 7 6.202 -5.574 -4.766 41 HA THR 7 HA THR 7 4.572 -4.261 -6.689 42 HB THR 7 HB THR 7 2.674 -5.629 -5.725 43 HG1 THR 7 HG1 THR 7 3.996 -7.425 -4.367 44 HG21 THR 7 HG21 THR 7 3.555 -7.754 -6.565 45 HG22 THR 7 HG22 THR 7 5.194 -7.107 -6.491 46 HG23 THR 7 HG23 THR 7 4.024 -6.413 -7.612 47 H PHE 8 H PHE 8 5.190 -3.521 -3.394 48 HA PHE 8 HA PHE 8 2.857 -1.791 -3.135 49 HB2 PHE 8 HB2 PHE 8 3.708 -2.835 -1.114 50 HB3 PHE 8 HB3 PHE 8 5.310 -2.164 -1.396 51 HD1 PHE 8 HD1 PHE 8 1.778 -1.096 -0.839 52 HD2 PHE 8 HD2 PHE 8 5.907 -0.176 -0.346 53 HE1 PHE 8 HE1 PHE 8 1.179 0.879 0.500 54 HE2 PHE 8 HE2 PHE 8 5.312 1.801 0.993 55 HZ PHE 8 HZ PHE 8 2.943 2.331 1.418 56 H TYR 9 H TYR 9 6.385 -1.264 -3.153 57 HA TYR 9 HA TYR 9 6.355 1.518 -3.342 58 HB2 TYR 9 HB2 TYR 9 8.344 0.302 -2.693 59 HB3 TYR 9 HB3 TYR 9 8.427 -0.491 -4.262 60 HD1 TYR 9 HD1 TYR 9 8.462 2.946 -2.767 61 HD2 TYR 9 HD2 TYR 9 9.863 0.374 -5.860 62 HE1 TYR 9 HE1 TYR 9 9.933 4.739 -3.590 63 HE2 TYR 9 HE2 TYR 9 11.333 2.156 -6.684 64 HH TYR 9 HH TYR 9 11.285 4.781 -6.562 65 H ASN 10 H ASN 10 6.570 -0.878 -5.976 66 HA ASN 10 HA ASN 10 6.805 0.960 -8.096 67 HB2 ASN 10 HB2 ASN 10 7.345 -1.414 -8.348 68 HB3 ASN 10 HB3 ASN 10 5.657 -1.844 -8.099 69 HD21 ASN 10 HD21 ASN 10 7.951 -0.426 -10.290 70 HD22 ASN 10 HD22 ASN 10 6.950 -0.502 -11.692 71 H PHE 11 H PHE 11 3.946 -0.546 -6.632 72 HA PHE 11 HA PHE 11 2.028 0.346 -8.465 73 HB2 PHE 11 HB2 PHE 11 1.595 -1.398 -6.777 74 HB3 PHE 11 HB3 PHE 11 1.676 -0.187 -5.502 75 HD1 PHE 11 HD1 PHE 11 -0.237 -1.199 -8.521 76 HD2 PHE 11 HD2 PHE 11 -0.240 1.053 -4.902 77 HE1 PHE 11 HE1 PHE 11 -2.648 -0.792 -8.780 78 HE2 PHE 11 HE2 PHE 11 -2.652 1.462 -5.160 79 HZ PHE 11 HZ PHE 11 -3.861 0.539 -7.098 80 H ILE 12 H ILE 12 3.037 1.850 -5.370 81 HA ILE 12 HA ILE 12 1.284 4.054 -5.572 82 HB ILE 12 HB ILE 12 2.345 3.372 -3.452 83 HG12 ILE 12 HG12 ILE 12 2.840 5.677 -2.619 84 HG13 ILE 12 HG13 ILE 12 2.863 6.242 -4.286 85 HG21 ILE 12 HG21 ILE 12 4.858 4.600 -4.590 86 HG22 ILE 12 HG22 ILE 12 4.594 2.887 -4.269 87 HG23 ILE 12 HG23 ILE 12 4.643 4.035 -2.933 88 HD11 ILE 12 HD11 ILE 12 0.524 5.630 -4.536 89 HD12 ILE 12 HD12 ILE 12 0.752 6.744 -3.186 90 HD13 ILE 12 HD13 ILE 12 0.500 5.025 -2.879 91 H MET 13 H MET 13 4.580 3.589 -6.796 92 HA MET 13 HA MET 13 5.035 6.283 -7.551 93 HB2 MET 13 HB2 MET 13 6.209 3.732 -8.663 94 HB3 MET 13 HB3 MET 13 6.743 5.340 -9.128 95 HG2 MET 13 HG2 MET 13 7.197 5.735 -6.652 96 HG3 MET 13 HG3 MET 13 7.009 3.992 -6.460 97 HE1 MET 13 HE1 MET 13 9.826 2.746 -8.984 98 HE2 MET 13 HE2 MET 13 8.174 3.171 -9.434 99 HE3 MET 13 HE3 MET 13 8.476 2.237 -7.967 100 H GLY 14 H GLY 14 2.996 3.876 -8.909 101 HA2 GLY 14 HA2 GLY 14 2.822 4.722 -11.577 102 HA3 GLY 14 HA3 GLY 14 1.521 3.973 -10.668 103 H PHE 15 H PHE 15 1.779 6.290 -8.689 104 HA PHE 15 HA PHE 15 0.205 8.262 -10.222 105 HB2 PHE 15 HB2 PHE 15 0.356 7.894 -7.217 106 HB3 PHE 15 HB3 PHE 15 -0.755 8.940 -8.094 107 HD1 PHE 15 HD1 PHE 15 -2.604 7.963 -9.407 108 HD2 PHE 15 HD2 PHE 15 -0.051 5.540 -7.004 109 HE1 PHE 15 HE1 PHE 15 -4.243 6.130 -9.514 110 HE2 PHE 15 HE2 PHE 15 -1.686 3.707 -7.109 111 HZ PHE 15 HZ PHE 15 -3.784 4.001 -8.365 112 H GLN 16 H GLN 16 3.300 7.835 -9.239 113 HA GLN 16 HA GLN 16 3.829 10.451 -8.111 114 HB2 GLN 16 HB2 GLN 16 5.080 8.508 -7.295 115 HB3 GLN 16 HB3 GLN 16 5.720 8.220 -8.905 116 HG2 GLN 16 HG2 GLN 16 7.394 9.265 -7.515 117 HG3 GLN 16 HG3 GLN 16 6.915 10.367 -8.804 118 HE21 GLN 16 HE21 GLN 16 7.587 12.184 -7.679 119 HE22 GLN 16 HE22 GLN 16 6.772 12.767 -6.272 120 H ASN 17 H ASN 17 2.973 11.607 -9.984 121 HA ASN 17 HA ASN 17 5.125 12.235 -11.873 122 HB2 ASN 17 HB2 ASN 17 2.281 11.603 -12.719 123 HB3 ASN 17 HB3 ASN 17 3.498 12.319 -13.772 124 HD21 ASN 17 HD21 ASN 17 5.169 11.037 -14.547 125 HD22 ASN 17 HD22 ASN 17 5.154 9.315 -14.410 126 H ASP 18 H ASP 18 1.743 13.092 -11.132 127 HA ASP 18 HA ASP 18 2.403 15.941 -11.296 128 HB2 ASP 18 HB2 ASP 18 -0.268 14.544 -10.974 129 HB3 ASP 18 HB3 ASP 18 -0.038 16.275 -11.214 130 H ASN 19 H ASN 19 1.085 17.311 -9.584 131 HA ASN 19 HA ASN 19 1.958 16.549 -6.959 132 HB2 ASN 19 HB2 ASN 19 1.773 18.929 -7.811 133 HB3 ASN 19 HB3 ASN 19 0.026 18.777 -7.668 134 HD21 ASN 19 HD21 ASN 19 1.931 20.542 -6.302 135 HD22 ASN 19 HD22 ASN 19 1.676 20.281 -4.615 136 H THR 20 H THR 20 0.974 14.706 -6.254 137 HA THR 20 HA THR 20 -1.970 14.748 -5.951 138 HB THR 20 HB THR 20 -2.105 12.373 -6.385 139 HG1 THR 20 HG1 THR 20 0.289 11.726 -7.319 140 HG21 THR 20 HG21 THR 20 -2.175 13.811 -8.371 141 HG22 THR 20 HG22 THR 20 -1.431 12.255 -8.741 142 HG23 THR 20 HG23 THR 20 -0.423 13.687 -8.530 143 HA PRO 21 HA PRO 21 -1.418 13.719 -1.602 144 HB2 PRO 21 HB2 PRO 21 -3.545 11.676 -2.127 145 HB3 PRO 21 HB3 PRO 21 -3.453 12.903 -0.857 146 HG2 PRO 21 HG2 PRO 21 -5.078 13.250 -2.929 147 HG3 PRO 21 HG3 PRO 21 -4.148 14.618 -2.282 148 HD2 PRO 21 HD2 PRO 21 -3.664 12.990 -4.752 149 HD3 PRO 21 HD3 PRO 21 -3.451 14.734 -4.491 150 H PHE 22 H PHE 22 -1.520 11.241 -4.086 151 HA PHE 22 HA PHE 22 -0.449 9.092 -2.562 152 HB2 PHE 22 HB2 PHE 22 -0.373 9.560 -5.560 153 HB3 PHE 22 HB3 PHE 22 -0.049 8.028 -4.755 154 HD1 PHE 22 HD1 PHE 22 -2.641 10.438 -5.719 155 HD2 PHE 22 HD2 PHE 22 -1.854 6.690 -3.841 156 HE1 PHE 22 HE1 PHE 22 -5.033 9.874 -5.847 157 HE2 PHE 22 HE2 PHE 22 -4.243 6.126 -3.968 158 HZ PHE 22 HZ PHE 22 -5.838 7.715 -4.972 159 H GLY 23 H GLY 23 1.000 11.675 -4.487 160 HA2 GLY 23 HA2 GLY 23 3.645 10.751 -4.621 161 HA3 GLY 23 HA3 GLY 23 3.162 12.439 -4.645 162 H ILE 24 H ILE 24 1.929 12.281 -1.969 163 HA ILE 24 HA ILE 24 4.145 12.928 -0.347 164 HB ILE 24 HB ILE 24 1.357 12.124 0.537 165 HG12 ILE 24 HG12 ILE 24 1.313 14.021 -1.016 166 HG13 ILE 24 HG13 ILE 24 0.906 14.550 0.613 167 HG21 ILE 24 HG21 ILE 24 1.854 13.375 2.590 168 HG22 ILE 24 HG22 ILE 24 3.499 13.657 2.022 169 HG23 ILE 24 HG23 ILE 24 2.958 12.018 2.377 170 HD11 ILE 24 HD11 ILE 24 3.581 14.885 -0.730 171 HD12 ILE 24 HD12 ILE 24 3.164 15.429 0.895 172 HD13 ILE 24 HD13 ILE 24 2.363 16.138 -0.507 173 H LEU 25 H LEU 25 2.277 9.957 -0.717 174 HA LEU 25 HA LEU 25 3.685 8.530 1.338 175 HB2 LEU 25 HB2 LEU 25 1.328 8.072 0.566 176 HB3 LEU 25 HB3 LEU 25 1.995 7.414 -0.911 177 HG LEU 25 HG LEU 25 1.266 5.754 0.881 178 HD11 LEU 25 HD11 LEU 25 3.111 4.225 0.483 179 HD12 LEU 25 HD12 LEU 25 4.113 5.557 -0.096 180 HD13 LEU 25 HD13 LEU 25 2.668 5.082 -0.992 181 HD21 LEU 25 HD21 LEU 25 3.812 6.685 2.208 182 HD22 LEU 25 HD22 LEU 25 2.838 5.295 2.686 183 HD23 LEU 25 HD23 LEU 25 2.173 6.921 2.816 184 H ALA 26 H ALA 26 3.756 8.534 -2.222 185 HA ALA 26 HA ALA 26 5.566 6.486 -2.674 186 HB1 ALA 26 HB1 ALA 26 5.970 7.484 -4.847 187 HB2 ALA 26 HB2 ALA 26 5.308 9.021 -4.291 188 HB3 ALA 26 HB3 ALA 26 4.260 7.609 -4.430 189 H GLU 27 H GLU 27 6.440 9.985 -2.584 190 HA GLU 27 HA GLU 27 9.238 9.413 -2.680 191 HB2 GLU 27 HB2 GLU 27 7.787 11.983 -2.012 192 HB3 GLU 27 HB3 GLU 27 9.528 11.851 -2.244 193 HG2 GLU 27 HG2 GLU 27 9.083 10.998 -4.550 194 HG3 GLU 27 HG3 GLU 27 7.374 11.351 -4.292 195 H HIS 28 H HIS 28 7.069 9.221 -0.111 196 HA HIS 28 HA HIS 28 9.053 9.868 1.929 197 HB2 HIS 28 HB2 HIS 28 6.586 10.448 2.145 198 HB3 HIS 28 HB3 HIS 28 6.290 8.730 2.387 199 HD1 HIS 28 HD1 HIS 28 8.002 11.669 4.002 200 HD2 HIS 28 HD2 HIS 28 6.834 7.797 4.941 201 HE1 HIS 28 HE1 HIS 28 8.290 11.469 6.480 202 HE2 HIS 28 HE2 HIS 28 7.723 9.079 7.008 203 H VAL 29 H VAL 29 7.253 7.004 0.772 204 HA VAL 29 HA VAL 29 8.684 5.187 2.480 205 HB VAL 29 HB VAL 29 7.636 3.383 1.189 206 HG11 VAL 29 HG11 VAL 29 5.296 3.910 1.710 207 HG12 VAL 29 HG12 VAL 29 5.719 5.612 1.893 208 HG13 VAL 29 HG13 VAL 29 6.383 4.413 3.006 209 HG21 VAL 29 HG21 VAL 29 6.616 5.608 -0.585 210 HG22 VAL 29 HG22 VAL 29 6.045 3.939 -0.634 211 HG23 VAL 29 HG23 VAL 29 7.720 4.310 -1.042 212 H SER 30 H SER 30 9.262 6.580 -0.644 213 HA SER 30 HA SER 30 11.126 4.798 -1.730 214 HB2 SER 30 HB2 SER 30 10.314 6.732 -2.987 215 HB3 SER 30 HB3 SER 30 11.105 7.831 -1.860 216 HG SER 30 HG SER 30 12.384 7.568 -3.693 217 H GLU 31 H GLU 31 11.440 7.072 0.905 218 HA GLU 31 HA GLU 31 13.972 5.866 1.648 219 HB2 GLU 31 HB2 GLU 31 14.549 7.788 0.132 220 HB3 GLU 31 HB3 GLU 31 13.804 8.870 1.301 221 HG2 GLU 31 HG2 GLU 31 15.435 8.152 2.993 222 HG3 GLU 31 HG3 GLU 31 16.185 7.084 1.807 223 H ASP 32 H ASP 32 12.639 5.092 3.405 224 HA ASP 32 HA ASP 32 11.722 7.021 5.376 225 HB2 ASP 32 HB2 ASP 32 11.009 5.106 6.661 226 HB3 ASP 32 HB3 ASP 32 10.586 4.799 4.980 227 H LYS 33 H LYS 33 14.143 4.480 5.207 228 HA LYS 33 HA LYS 33 16.220 6.011 6.446 229 HB2 LYS 33 HB2 LYS 33 15.064 3.603 7.903 230 HB3 LYS 33 HB3 LYS 33 16.668 4.241 8.223 231 HG2 LYS 33 HG2 LYS 33 15.625 6.409 8.859 232 HG3 LYS 33 HG3 LYS 33 14.043 5.658 8.662 233 HD2 LYS 33 HD2 LYS 33 16.187 4.770 10.603 234 HD3 LYS 33 HD3 LYS 33 14.750 5.703 11.018 235 HE2 LYS 33 HE2 LYS 33 13.338 3.833 10.258 236 HE3 LYS 33 HE3 LYS 33 14.790 2.900 9.893 237 HZ1 LYS 33 HZ1 LYS 33 13.858 2.306 12.040 238 HZ2 LYS 33 HZ2 LYS 33 14.010 3.900 12.580 239 HZ3 LYS 33 HZ3 LYS 33 15.391 2.989 12.232 240 H ALA 34 H ALA 34 15.163 2.668 5.859 241 HA ALA 34 HA ALA 34 16.324 2.109 3.467 242 HB1 ALA 34 HB1 ALA 34 18.454 0.987 3.946 243 HB2 ALA 34 HB2 ALA 34 18.331 1.476 5.637 244 HB3 ALA 34 HB3 ALA 34 18.514 2.695 4.375 245 H PHE 35 H PHE 35 14.152 1.181 5.268 246 HA PHE 35 HA PHE 35 14.913 -1.659 5.573 247 HB2 PHE 35 HB2 PHE 35 13.270 -0.023 7.514 248 HB3 PHE 35 HB3 PHE 35 13.566 -1.754 7.645 249 HD1 PHE 35 HD1 PHE 35 15.881 -2.583 8.054 250 HD2 PHE 35 HD2 PHE 35 14.899 1.561 8.212 251 HE1 PHE 35 HE1 PHE 35 17.963 -2.141 9.289 252 HE2 PHE 35 HE2 PHE 35 16.976 2.007 9.449 253 HZ PHE 35 HZ PHE 35 18.510 0.155 9.985 254 HA PRO 36 HA PRO 36 10.942 -2.119 3.296 255 HB2 PRO 36 HB2 PRO 36 12.401 -4.290 1.962 256 HB3 PRO 36 HB3 PRO 36 11.559 -2.915 1.242 257 HG2 PRO 36 HG2 PRO 36 14.259 -3.148 1.205 258 HG3 PRO 36 HG3 PRO 36 13.436 -1.579 1.269 259 HD2 PRO 36 HD2 PRO 36 14.717 -3.143 3.495 260 HD3 PRO 36 HD3 PRO 36 14.787 -1.398 3.161 261 H ARG 37 H ARG 37 9.874 -3.010 5.045 262 HA ARG 37 HA ARG 37 10.981 -4.938 6.733 263 HB2 ARG 37 HB2 ARG 37 8.203 -3.861 6.423 264 HB3 ARG 37 HB3 ARG 37 8.516 -5.186 7.537 265 HG2 ARG 37 HG2 ARG 37 9.822 -2.464 7.607 266 HG3 ARG 37 HG3 ARG 37 8.577 -3.063 8.711 267 HD2 ARG 37 HD2 ARG 37 10.121 -4.862 9.423 268 HD3 ARG 37 HD3 ARG 37 11.361 -4.194 8.362 269 HE ARG 37 HE ARG 37 10.322 -2.359 10.340 270 HH11 ARG 37 HH11 ARG 37 12.741 -4.665 9.529 271 HH12 ARG 37 HH12 ARG 37 13.819 -4.151 10.776 272 HH21 ARG 37 HH21 ARG 37 11.720 -1.696 11.956 273 HH22 ARG 37 HH22 ARG 37 13.245 -2.492 12.136 274 H LEU 38 H LEU 38 8.222 -5.515 4.469 275 HA LEU 38 HA LEU 38 9.113 -8.175 3.925 276 HB2 LEU 38 HB2 LEU 38 8.321 -8.357 6.305 277 HB3 LEU 38 HB3 LEU 38 6.712 -7.939 5.750 278 HG LEU 38 HG LEU 38 6.678 -9.986 4.354 279 HD11 LEU 38 HD11 LEU 38 8.399 -11.709 4.698 280 HD12 LEU 38 HD12 LEU 38 9.334 -10.572 5.671 281 HD13 LEU 38 HD13 LEU 38 9.060 -10.250 3.959 282 HD21 LEU 38 HD21 LEU 38 6.448 -11.584 6.204 283 HD22 LEU 38 HD22 LEU 38 5.708 -10.030 6.589 284 HD23 LEU 38 HD23 LEU 38 7.275 -10.456 7.280 285 H GLU 39 H GLU 39 8.513 -8.305 1.839 286 HA GLU 39 HA GLU 39 5.963 -7.204 0.938 287 HB2 GLU 39 HB2 GLU 39 8.355 -8.355 -0.497 288 HB3 GLU 39 HB3 GLU 39 6.851 -8.015 -1.341 289 HG2 GLU 39 HG2 GLU 39 8.421 -5.956 0.205 290 HG3 GLU 39 HG3 GLU 39 8.587 -6.233 -1.527 291 H GLU 40 H GLU 40 6.770 -9.986 2.399 292 HA GLU 40 HA GLU 40 5.684 -12.076 0.896 293 HB2 GLU 40 HB2 GLU 40 6.886 -12.033 3.240 294 HB3 GLU 40 HB3 GLU 40 5.257 -11.901 3.875 295 HG2 GLU 40 HG2 GLU 40 6.102 -14.127 2.037 296 HG3 GLU 40 HG3 GLU 40 6.304 -14.212 3.781 297 H ARG 41 H ARG 41 4.005 -10.374 3.555 298 HA ARG 41 HA ARG 41 1.600 -10.193 1.858 299 HB2 ARG 41 HB2 ARG 41 1.596 -10.858 4.818 300 HB3 ARG 41 HB3 ARG 41 0.173 -10.645 3.801 301 HG2 ARG 41 HG2 ARG 41 0.783 -12.586 2.487 302 HG3 ARG 41 HG3 ARG 41 2.269 -12.777 3.414 303 HD2 ARG 41 HD2 ARG 41 0.835 -13.067 5.461 304 HD3 ARG 41 HD3 ARG 41 -0.566 -13.115 4.384 305 HE ARG 41 HE ARG 41 1.667 -15.019 4.100 306 HH11 ARG 41 HH11 ARG 41 -1.699 -14.364 4.409 307 HH12 ARG 41 HH12 ARG 41 -2.147 -16.022 4.245 308 HH21 ARG 41 HH21 ARG 41 1.085 -17.132 3.864 309 HH22 ARG 41 HH22 ARG 41 -0.583 -17.577 3.911 310 H HIS 42 H HIS 42 1.096 -8.116 1.553 311 HA HIS 42 HA HIS 42 2.493 -6.033 2.861 312 HB2 HIS 42 HB2 HIS 42 0.069 -5.942 1.055 313 HB3 HIS 42 HB3 HIS 42 0.983 -4.523 1.560 314 HD1 HIS 42 HD1 HIS 42 1.251 -7.585 -0.613 315 HD2 HIS 42 HD2 HIS 42 3.406 -4.138 0.247 316 HE1 HIS 42 HE1 HIS 42 3.075 -7.484 -2.330 317 HE2 HIS 42 HE2 HIS 42 4.459 -5.485 -1.689 318 H GLN 43 H GLN 43 -0.115 -7.775 4.011 319 HA GLN 43 HA GLN 43 -1.653 -5.912 5.394 320 HB2 GLN 43 HB2 GLN 43 -2.193 -8.319 5.249 321 HB3 GLN 43 HB3 GLN 43 -0.835 -8.684 6.307 322 HG2 GLN 43 HG2 GLN 43 -1.903 -7.399 8.108 323 HG3 GLN 43 HG3 GLN 43 -3.270 -7.065 7.046 324 HE21 GLN 43 HE21 GLN 43 -4.695 -8.742 6.537 325 HE22 GLN 43 HE22 GLN 43 -4.755 -10.195 7.463 326 H VAL 44 H VAL 44 1.543 -7.229 6.156 327 HA VAL 44 HA VAL 44 1.794 -6.273 8.782 328 HB VAL 44 HB VAL 44 4.236 -6.348 8.448 329 HG11 VAL 44 HG11 VAL 44 4.407 -8.732 7.897 330 HG12 VAL 44 HG12 VAL 44 2.768 -8.701 7.247 331 HG13 VAL 44 HG13 VAL 44 3.040 -8.406 8.965 332 HG21 VAL 44 HG21 VAL 44 4.395 -5.465 6.188 333 HG22 VAL 44 HG22 VAL 44 3.561 -6.885 5.548 334 HG23 VAL 44 HG23 VAL 44 5.162 -7.050 6.270 335 H ILE 45 H ILE 45 2.576 -4.681 5.700 336 HA ILE 45 HA ILE 45 3.435 -2.200 6.721 337 HB ILE 45 HB ILE 45 1.962 -2.714 4.117 338 HG12 ILE 45 HG12 ILE 45 4.946 -2.709 4.665 339 HG13 ILE 45 HG13 ILE 45 3.971 -4.144 4.361 340 HG21 ILE 45 HG21 ILE 45 3.069 -0.680 3.317 341 HG22 ILE 45 HG22 ILE 45 3.797 -0.445 4.907 342 HG23 ILE 45 HG23 ILE 45 2.047 -0.345 4.714 343 HD11 ILE 45 HD11 ILE 45 4.445 -1.891 2.423 344 HD12 ILE 45 HD12 ILE 45 3.464 -3.323 2.119 345 HD13 ILE 45 HD13 ILE 45 5.200 -3.483 2.379 346 H ARG 46 H ARG 46 0.268 -3.216 5.499 347 HA ARG 46 HA ARG 46 -1.306 -1.031 5.925 348 HB2 ARG 46 HB2 ARG 46 -2.064 -3.123 4.904 349 HB3 ARG 46 HB3 ARG 46 -1.997 -3.928 6.464 350 HG2 ARG 46 HG2 ARG 46 -3.761 -2.294 7.253 351 HG3 ARG 46 HG3 ARG 46 -3.914 -1.784 5.568 352 HD2 ARG 46 HD2 ARG 46 -4.359 -4.177 4.968 353 HD3 ARG 46 HD3 ARG 46 -4.397 -4.545 6.691 354 HE ARG 46 HE ARG 46 -6.243 -2.571 5.538 355 HH11 ARG 46 HH11 ARG 46 -5.698 -5.444 7.360 356 HH12 ARG 46 HH12 ARG 46 -7.383 -5.709 7.638 357 HH21 ARG 46 HH21 ARG 46 -8.382 -2.920 5.913 358 HH22 ARG 46 HH22 ARG 46 -8.891 -4.312 6.809 359 H ALA 47 H ALA 47 -0.536 -3.508 8.368 360 HA ALA 47 HA ALA 47 -2.135 -2.355 10.418 361 HB1 ALA 47 HB1 ALA 47 -1.538 -4.740 10.344 362 HB2 ALA 47 HB2 ALA 47 -1.118 -3.990 11.885 363 HB3 ALA 47 HB3 ALA 47 0.140 -4.319 10.692 364 H TYR 48 H TYR 48 1.367 -2.213 9.753 365 HA TYR 48 HA TYR 48 1.882 -0.813 12.216 366 HB2 TYR 48 HB2 TYR 48 3.679 -1.585 9.921 367 HB3 TYR 48 HB3 TYR 48 4.252 -0.708 11.340 368 HD1 TYR 48 HD1 TYR 48 3.028 -1.925 13.592 369 HD2 TYR 48 HD2 TYR 48 4.375 -3.820 10.019 370 HE1 TYR 48 HE1 TYR 48 3.280 -4.037 14.815 371 HE2 TYR 48 HE2 TYR 48 4.626 -5.943 11.240 372 HH TYR 48 HH TYR 48 3.277 -6.497 14.256 373 H VAL 49 H VAL 49 1.386 0.217 8.876 374 HA VAL 49 HA VAL 49 2.512 2.800 9.143 375 HB VAL 49 HB VAL 49 1.086 3.502 7.254 376 HG11 VAL 49 HG11 VAL 49 3.200 2.395 6.810 377 HG12 VAL 49 HG12 VAL 49 2.007 1.943 5.591 378 HG13 VAL 49 HG13 VAL 49 2.418 0.816 6.885 379 HG21 VAL 49 HG21 VAL 49 -0.949 2.280 7.789 380 HG22 VAL 49 HG22 VAL 49 -0.134 0.744 7.492 381 HG23 VAL 49 HG23 VAL 49 -0.404 1.871 6.164 382 H MET 50 H MET 50 -0.608 1.515 10.091 383 HA MET 50 HA MET 50 -1.794 4.054 10.712 384 HB2 MET 50 HB2 MET 50 -2.551 1.273 11.646 385 HB3 MET 50 HB3 MET 50 -3.543 2.714 11.817 386 HG2 MET 50 HG2 MET 50 -3.654 2.911 9.368 387 HG3 MET 50 HG3 MET 50 -2.707 1.433 9.221 388 HE1 MET 50 HE1 MET 50 -5.145 -1.228 10.778 389 HE2 MET 50 HE2 MET 50 -3.895 -0.317 11.628 390 HE3 MET 50 HE3 MET 50 -3.577 -0.966 10.018 391 H SER 51 H SER 51 0.578 2.212 12.218 392 HA SER 51 HA SER 51 -0.022 3.214 14.919 393 HB2 SER 51 HB2 SER 51 0.436 0.809 14.744 394 HB3 SER 51 HB3 SER 51 1.993 1.143 13.991 395 HG SER 51 HG SER 51 1.229 1.960 16.607 396 H ASN 52 H ASN 52 2.711 2.978 12.650 397 HA ASN 52 HA ASN 52 4.427 4.625 14.252 398 HB2 ASN 52 HB2 ASN 52 4.780 3.698 11.388 399 HB3 ASN 52 HB3 ASN 52 6.041 4.346 12.434 400 HD21 ASN 52 HD21 ASN 52 5.833 1.742 11.103 401 HD22 ASN 52 HD22 ASN 52 5.944 0.560 12.359 402 H TYR 53 H TYR 53 2.680 5.131 11.178 403 HA TYR 53 HA TYR 53 3.836 7.764 10.845 404 HB2 TYR 53 HB2 TYR 53 1.814 6.224 9.207 405 HB3 TYR 53 HB3 TYR 53 2.400 7.831 8.781 406 HD1 TYR 53 HD1 TYR 53 4.695 8.163 8.011 407 HD2 TYR 53 HD2 TYR 53 3.275 4.269 8.996 408 HE1 TYR 53 HE1 TYR 53 6.645 7.175 6.893 409 HE2 TYR 53 HE2 TYR 53 5.223 3.273 7.871 410 HH TYR 53 HH TYR 53 6.855 3.929 6.074 411 H THR 54 H THR 54 2.572 9.694 10.499 412 HA THR 54 HA THR 54 0.295 9.848 12.370 413 HB THR 54 HB THR 54 0.833 12.268 12.530 414 HG1 THR 54 HG1 THR 54 2.799 12.985 11.574 415 HG21 THR 54 HG21 THR 54 1.804 10.675 14.143 416 HG22 THR 54 HG22 THR 54 2.897 12.025 13.828 417 HG23 THR 54 HG23 THR 54 3.195 10.454 13.082 418 H ASP 55 H ASP 55 1.398 11.636 9.470 419 HA ASP 55 HA ASP 55 -1.049 12.718 8.713 420 HB2 ASP 55 HB2 ASP 55 1.230 11.860 6.905 421 HB3 ASP 55 HB3 ASP 55 -0.060 12.973 6.466 422 H HIS 56 H HIS 56 -2.904 11.866 7.892 423 HA HIS 56 HA HIS 56 -3.176 9.128 7.182 424 HB2 HIS 56 HB2 HIS 56 -4.978 11.506 6.689 425 HB3 HIS 56 HB3 HIS 56 -5.409 9.868 6.203 426 HD1 HIS 56 HD1 HIS 56 -6.126 12.094 8.788 427 HD2 HIS 56 HD2 HIS 56 -5.028 8.090 8.724 428 HE1 HIS 56 HE1 HIS 56 -6.903 11.154 10.976 429 HE2 HIS 56 HE2 HIS 56 -6.060 8.784 10.993 430 H GLN 57 H GLN 57 -2.296 11.966 5.353 431 HA GLN 57 HA GLN 57 -2.546 11.009 2.738 432 HB2 GLN 57 HB2 GLN 57 -0.347 12.751 3.896 433 HB3 GLN 57 HB3 GLN 57 -0.679 12.548 2.179 434 HG2 GLN 57 HG2 GLN 57 -2.606 13.714 4.187 435 HG3 GLN 57 HG3 GLN 57 -1.584 14.647 3.095 436 HE21 GLN 57 HE21 GLN 57 -2.104 14.724 0.911 437 HE22 GLN 57 HE22 GLN 57 -3.636 14.207 0.311 438 H LEU 58 H LEU 58 -0.400 10.055 5.264 439 HA LEU 58 HA LEU 58 1.116 8.292 3.471 440 HB2 LEU 58 HB2 LEU 58 1.413 8.762 6.450 441 HB3 LEU 58 HB3 LEU 58 2.482 7.792 5.454 442 HG LEU 58 HG LEU 58 2.084 10.778 5.166 443 HD11 LEU 58 HD11 LEU 58 3.220 10.242 7.249 444 HD12 LEU 58 HD12 LEU 58 4.334 10.979 6.099 445 HD13 LEU 58 HD13 LEU 58 4.382 9.238 6.377 446 HD21 LEU 58 HD21 LEU 58 2.678 9.697 3.055 447 HD22 LEU 58 HD22 LEU 58 4.055 8.913 3.832 448 HD23 LEU 58 HD23 LEU 58 4.017 10.668 3.666 449 H ILE 59 H ILE 59 -0.729 8.081 6.517 450 HA ILE 59 HA ILE 59 -0.845 5.298 6.726 451 HB ILE 59 HB ILE 59 -2.892 7.295 7.717 452 HG12 ILE 59 HG12 ILE 59 -0.448 6.153 9.101 453 HG13 ILE 59 HG13 ILE 59 -0.608 7.800 8.499 454 HG21 ILE 59 HG21 ILE 59 -2.324 4.469 8.624 455 HG22 ILE 59 HG22 ILE 59 -3.756 5.017 7.751 456 HG23 ILE 59 HG23 ILE 59 -3.453 5.587 9.391 457 HD11 ILE 59 HD11 ILE 59 -2.246 6.554 10.695 458 HD12 ILE 59 HD12 ILE 59 -2.428 8.198 10.081 459 HD13 ILE 59 HD13 ILE 59 -0.937 7.719 10.893 460 H GLU 60 H GLU 60 -3.563 7.407 5.683 461 HA GLU 60 HA GLU 60 -5.203 5.207 4.996 462 HB2 GLU 60 HB2 GLU 60 -6.093 7.433 5.643 463 HB3 GLU 60 HB3 GLU 60 -5.518 8.085 4.112 464 HG2 GLU 60 HG2 GLU 60 -7.034 6.692 2.875 465 HG3 GLU 60 HG3 GLU 60 -7.507 5.829 4.335 466 H THR 61 H THR 61 -3.204 7.374 3.008 467 HA THR 61 HA THR 61 -3.873 6.433 0.479 468 HB THR 61 HB THR 61 -1.112 7.255 1.426 469 HG1 THR 61 HG1 THR 61 -1.731 9.310 0.873 470 HG21 THR 61 HG21 THR 61 -1.057 6.087 -0.743 471 HG22 THR 61 HG22 THR 61 -0.676 7.801 -0.922 472 HG23 THR 61 HG23 THR 61 -2.273 7.200 -1.370 473 H THR 62 H THR 62 -1.558 5.077 2.824 474 HA THR 62 HA THR 62 -0.548 3.015 1.181 475 HB THR 62 HB THR 62 -0.765 3.132 4.201 476 HG1 THR 62 HG1 THR 62 0.667 4.658 3.421 477 HG21 THR 62 HG21 THR 62 -0.604 0.793 3.483 478 HG22 THR 62 HG22 THR 62 0.897 1.324 4.245 479 HG23 THR 62 HG23 THR 62 0.799 1.186 2.490 480 H ASN 63 H ASN 63 -2.984 2.678 3.825 481 HA ASN 63 HA ASN 63 -3.537 -0.016 3.155 482 HB2 ASN 63 HB2 ASN 63 -5.454 0.141 4.682 483 HB3 ASN 63 HB3 ASN 63 -3.996 0.815 5.396 484 HD21 ASN 63 HD21 ASN 63 -3.967 2.948 5.965 485 HD22 ASN 63 HD22 ASN 63 -5.349 3.978 5.850 486 H ARG 64 H ARG 64 -4.969 3.005 2.062 487 HA ARG 64 HA ARG 64 -7.199 1.926 0.702 488 HB2 ARG 64 HB2 ARG 64 -6.887 4.348 1.092 489 HB3 ARG 64 HB3 ARG 64 -5.533 4.354 -0.031 490 HG2 ARG 64 HG2 ARG 64 -7.132 3.599 -1.820 491 HG3 ARG 64 HG3 ARG 64 -8.440 3.851 -0.663 492 HD2 ARG 64 HD2 ARG 64 -6.497 5.962 -1.612 493 HD3 ARG 64 HD3 ARG 64 -8.156 5.769 -2.172 494 HE ARG 64 HE ARG 64 -7.694 6.251 0.679 495 HH11 ARG 64 HH11 ARG 64 -8.790 7.408 -2.380 496 HH12 ARG 64 HH12 ARG 64 -9.631 8.755 -1.693 497 HH21 ARG 64 HH21 ARG 64 -8.735 8.033 1.544 498 HH22 ARG 64 HH22 ARG 64 -9.587 9.105 0.491 499 H ALA 65 H ALA 65 -3.912 2.690 -0.470 500 HA ALA 65 HA ALA 65 -4.175 1.669 -3.065 501 HB1 ALA 65 HB1 ALA 65 -1.728 1.579 -3.102 502 HB2 ALA 65 HB2 ALA 65 -1.688 1.777 -1.348 503 HB3 ALA 65 HB3 ALA 65 -2.299 3.080 -2.370 504 H ILE 66 H ILE 66 -3.173 0.068 -0.057 505 HA ILE 66 HA ILE 66 -2.626 -2.473 -1.171 506 HB ILE 66 HB ILE 66 -3.499 -1.761 1.642 507 HG12 ILE 66 HG12 ILE 66 -1.393 -0.699 0.981 508 HG13 ILE 66 HG13 ILE 66 -1.095 -1.957 2.176 509 HG21 ILE 66 HG21 ILE 66 -3.942 -4.118 1.227 510 HG22 ILE 66 HG22 ILE 66 -2.553 -3.946 2.301 511 HG23 ILE 66 HG23 ILE 66 -2.308 -4.339 0.599 512 HD11 ILE 66 HD11 ILE 66 0.589 -1.995 0.442 513 HD12 ILE 66 HD12 ILE 66 -0.656 -2.182 -0.795 514 HD13 ILE 66 HD13 ILE 66 -0.383 -3.466 0.385 515 H SER 67 H SER 67 -5.630 -1.023 0.035 516 HA SER 67 HA SER 67 -7.235 -3.346 -0.081 517 HB2 SER 67 HB2 SER 67 -8.000 -0.424 -0.337 518 HB3 SER 67 HB3 SER 67 -9.173 -1.738 -0.234 519 HG SER 67 HG SER 67 -8.083 -0.482 1.767 520 H LEU 68 H LEU 68 -6.810 -0.734 -2.493 521 HA LEU 68 HA LEU 68 -8.313 -2.036 -4.522 522 HB2 LEU 68 HB2 LEU 68 -6.282 0.187 -4.564 523 HB3 LEU 68 HB3 LEU 68 -6.921 -0.465 -6.059 524 HG LEU 68 HG LEU 68 -8.116 1.556 -5.459 525 HD11 LEU 68 HD11 LEU 68 -9.370 -0.199 -6.597 526 HD12 LEU 68 HD12 LEU 68 -10.404 0.728 -5.510 527 HD13 LEU 68 HD13 LEU 68 -9.849 -0.881 -5.040 528 HD21 LEU 68 HD21 LEU 68 -8.858 0.156 -2.884 529 HD22 LEU 68 HD22 LEU 68 -9.476 1.716 -3.429 530 HD23 LEU 68 HD23 LEU 68 -7.765 1.531 -3.043 531 H TYR 69 H TYR 69 -4.906 -2.148 -3.628 532 HA TYR 69 HA TYR 69 -3.899 -3.597 -5.812 533 HB2 TYR 69 HB2 TYR 69 -2.324 -2.636 -4.318 534 HB3 TYR 69 HB3 TYR 69 -3.063 -3.401 -2.918 535 HD1 TYR 69 HD1 TYR 69 -1.212 -4.236 -6.067 536 HD2 TYR 69 HD2 TYR 69 -2.153 -5.375 -2.068 537 HE1 TYR 69 HE1 TYR 69 0.421 -6.072 -6.207 538 HE2 TYR 69 HE2 TYR 69 -0.525 -7.208 -2.203 539 HH TYR 69 HH TYR 69 1.782 -7.454 -4.663 540 H MET 70 H MET 70 -4.966 -4.868 -2.629 541 HA MET 70 HA MET 70 -4.717 -7.584 -3.388 542 HB2 MET 70 HB2 MET 70 -5.790 -8.127 -1.305 543 HB3 MET 70 HB3 MET 70 -4.694 -6.783 -1.037 544 HG2 MET 70 HG2 MET 70 -6.604 -6.256 0.197 545 HG3 MET 70 HG3 MET 70 -6.740 -5.279 -1.262 546 HE1 MET 70 HE1 MET 70 -9.161 -9.127 -0.463 547 HE2 MET 70 HE2 MET 70 -7.955 -8.460 0.637 548 HE3 MET 70 HE3 MET 70 -7.452 -9.167 -0.899 549 H ALA 71 H ALA 71 -7.424 -5.322 -3.540 550 HA ALA 71 HA ALA 71 -9.434 -7.213 -4.194 551 HB1 ALA 71 HB1 ALA 71 -10.770 -5.307 -4.878 552 HB2 ALA 71 HB2 ALA 71 -9.335 -4.280 -4.910 553 HB3 ALA 71 HB3 ALA 71 -9.916 -4.937 -3.380 554 H ASN 72 H ASN 72 -7.416 -5.111 -6.269 555 HA ASN 72 HA ASN 72 -8.475 -6.060 -8.730 556 HB2 ASN 72 HB2 ASN 72 -7.249 -3.903 -8.472 557 HB3 ASN 72 HB3 ASN 72 -5.759 -4.808 -8.228 558 HD21 ASN 72 HD21 ASN 72 -4.767 -3.957 -10.030 559 HD22 ASN 72 HD22 ASN 72 -5.233 -4.365 -11.640 560 H LEU 73 H LEU 73 -5.521 -6.913 -6.913 561 HA LEU 73 HA LEU 73 -4.518 -8.882 -8.628 562 HB2 LEU 73 HB2 LEU 73 -3.417 -7.871 -6.575 563 HB3 LEU 73 HB3 LEU 73 -4.383 -8.960 -5.606 564 HG LEU 73 HG LEU 73 -2.000 -9.675 -5.991 565 HD11 LEU 73 HD11 LEU 73 -3.709 -11.291 -5.312 566 HD12 LEU 73 HD12 LEU 73 -2.488 -12.017 -6.357 567 HD13 LEU 73 HD13 LEU 73 -4.075 -11.612 -7.008 568 HD21 LEU 73 HD21 LEU 73 -1.782 -8.943 -8.310 569 HD22 LEU 73 HD22 LEU 73 -2.952 -10.163 -8.815 570 HD23 LEU 73 HD23 LEU 73 -1.398 -10.656 -8.143 571 H GLU 74 H GLU 74 -6.769 -9.199 -5.890 572 HA GLU 74 HA GLU 74 -7.353 -11.910 -6.024 573 HB2 GLU 74 HB2 GLU 74 -8.155 -10.536 -4.211 574 HB3 GLU 74 HB3 GLU 74 -9.117 -9.559 -5.309 575 HG2 GLU 74 HG2 GLU 74 -10.519 -11.544 -5.785 576 HG3 GLU 74 HG3 GLU 74 -9.586 -12.449 -4.592 577 H HIS 75 H HIS 75 -9.018 -9.239 -7.713 578 HA HIS 75 HA HIS 75 -10.842 -10.939 -9.081 579 HB2 HIS 75 HB2 HIS 75 -11.271 -8.536 -8.610 580 HB3 HIS 75 HB3 HIS 75 -10.032 -8.108 -9.784 581 HD1 HIS 75 HD1 HIS 75 -13.448 -9.693 -9.583 582 HD2 HIS 75 HD2 HIS 75 -10.870 -8.091 -12.415 583 HE1 HIS 75 HE1 HIS 75 -14.785 -9.544 -11.695 584 HE2 HIS 75 HE2 HIS 75 -13.274 -8.359 -13.318 585 H HIS 76 H HIS 76 -7.610 -9.846 -9.818 586 HA HIS 76 HA HIS 76 -7.740 -10.579 -12.610 587 HB2 HIS 76 HB2 HIS 76 -6.236 -8.777 -11.662 588 HB3 HIS 76 HB3 HIS 76 -5.257 -10.058 -10.960 589 HD1 HIS 76 HD1 HIS 76 -3.886 -11.547 -12.633 590 HD2 HIS 76 HD2 HIS 76 -5.904 -8.366 -14.384 591 HE1 HIS 76 HE1 HIS 76 -2.913 -11.320 -14.931 592 HE2 HIS 76 HE2 HIS 76 -4.043 -9.299 -15.913 593 H HIS 77 H HIS 77 -6.556 -12.034 -9.621 594 HA HIS 77 HA HIS 77 -5.436 -14.368 -10.876 595 HB2 HIS 77 HB2 HIS 77 -4.631 -13.546 -8.688 596 HB3 HIS 77 HB3 HIS 77 -6.213 -13.864 -7.986 597 HD1 HIS 77 HD1 HIS 77 -6.734 -16.266 -7.294 598 HD2 HIS 77 HD2 HIS 77 -3.074 -15.865 -9.223 599 HE1 HIS 77 HE1 HIS 77 -5.555 -18.456 -6.965 600 HE2 HIS 77 HE2 HIS 77 -3.409 -18.240 -8.255 601 H HIS 78 H HIS 78 -8.484 -13.546 -9.315 602 HA HIS 78 HA HIS 78 -9.634 -16.174 -9.645 603 HB2 HIS 78 HB2 HIS 78 -10.312 -14.720 -7.785 604 HB3 HIS 78 HB3 HIS 78 -10.895 -13.511 -8.921 605 HD1 HIS 78 HD1 HIS 78 -11.827 -16.741 -7.313 606 HD2 HIS 78 HD2 HIS 78 -13.359 -14.115 -10.143 607 HE1 HIS 78 HE1 HIS 78 -14.215 -17.438 -7.658 608 HE2 HIS 78 HE2 HIS 78 -15.047 -15.956 -9.514 609 H HIS 79 H HIS 79 -9.546 -13.181 -11.430 610 HA HIS 79 HA HIS 79 -10.106 -12.601 -13.531 611 HB2 HIS 79 HB2 HIS 79 -9.063 -14.665 -14.247 612 HB3 HIS 79 HB3 HIS 79 -10.531 -15.575 -13.901 613 HD1 HIS 79 HD1 HIS 79 -11.757 -16.121 -15.972 614 HD2 HIS 79 HD2 HIS 79 -9.783 -12.479 -16.281 615 HE1 HIS 79 HE1 HIS 79 -12.283 -15.262 -18.270 616 HE2 HIS 79 HE2 HIS 79 -11.272 -12.961 -18.336 617 H HIS 80 H HIS 80 -12.469 -15.266 -13.060 618 HA HIS 80 HA HIS 80 -14.617 -13.252 -13.326 619 HB2 HIS 80 HB2 HIS 80 -14.243 -14.436 -15.479 620 HB3 HIS 80 HB3 HIS 80 -14.587 -15.962 -14.675 621 HD1 HIS 80 HD1 HIS 80 -17.046 -16.506 -14.167 622 HD2 HIS 80 HD2 HIS 80 -16.498 -12.805 -15.973 623 HE1 HIS 80 HE1 HIS 80 -19.336 -15.749 -14.854 624 HE2 HIS 80 HE2 HIS 80 -18.956 -13.600 -16.098 Start of MODEL 17 1 H1 MET 1 H1 MET 1 20.124 -9.279 -1.449 2 H2 MET 1 H2 MET 1 19.810 -10.308 -0.148 3 H3 MET 1 H3 MET 1 19.964 -8.646 0.113 4 HA MET 1 HA MET 1 17.652 -9.318 0.189 5 HB2 MET 1 HB2 MET 1 18.376 -7.671 -2.251 6 HB3 MET 1 HB3 MET 1 16.784 -7.720 -1.505 7 HG2 MET 1 HG2 MET 1 17.728 -6.783 0.557 8 HG3 MET 1 HG3 MET 1 19.315 -6.714 -0.212 9 HE1 MET 1 HE1 MET 1 18.294 -2.929 -0.051 10 HE2 MET 1 HE2 MET 1 19.514 -4.127 0.380 11 HE3 MET 1 HE3 MET 1 17.928 -4.165 1.153 12 H ALA 2 H ALA 2 16.311 -10.936 -0.359 13 HA ALA 2 HA ALA 2 15.945 -11.672 -3.143 14 HB1 ALA 2 HB1 ALA 2 16.910 -13.756 -1.178 15 HB2 ALA 2 HB2 ALA 2 17.862 -13.063 -2.491 16 HB3 ALA 2 HB3 ALA 2 16.439 -14.039 -2.854 17 H GLY 3 H GLY 3 13.766 -11.406 -3.205 18 HA2 GLY 3 HA2 GLY 3 11.928 -13.230 -2.623 19 HA3 GLY 3 HA3 GLY 3 12.103 -12.486 -1.043 20 H ASP 4 H ASP 4 12.319 -9.813 -1.697 21 HA ASP 4 HA ASP 4 9.528 -9.303 -2.410 22 HB2 ASP 4 HB2 ASP 4 10.154 -8.434 -0.287 23 HB3 ASP 4 HB3 ASP 4 11.611 -7.696 -0.940 24 HA PRO 5 HA PRO 5 10.972 -7.264 -6.193 25 HB2 PRO 5 HB2 PRO 5 8.682 -7.424 -7.549 26 HB3 PRO 5 HB3 PRO 5 9.649 -8.869 -7.236 27 HG2 PRO 5 HG2 PRO 5 7.150 -7.935 -5.885 28 HG3 PRO 5 HG3 PRO 5 7.650 -9.581 -6.309 29 HD2 PRO 5 HD2 PRO 5 7.909 -8.380 -3.785 30 HD3 PRO 5 HD3 PRO 5 8.735 -9.857 -4.325 31 H MET 6 H MET 6 9.295 -6.036 -3.684 32 HA MET 6 HA MET 6 8.584 -3.965 -3.062 33 HB2 MET 6 HB2 MET 6 9.905 -3.068 -5.639 34 HB3 MET 6 HB3 MET 6 9.429 -2.013 -4.317 35 HG2 MET 6 HG2 MET 6 11.028 -3.181 -2.849 36 HG3 MET 6 HG3 MET 6 11.531 -4.171 -4.215 37 HE1 MET 6 HE1 MET 6 13.089 -1.449 -6.605 38 HE2 MET 6 HE2 MET 6 11.404 -1.969 -6.589 39 HE3 MET 6 HE3 MET 6 12.697 -3.158 -6.414 40 H THR 7 H THR 7 6.525 -5.350 -4.008 41 HA THR 7 HA THR 7 5.222 -4.440 -6.330 42 HB THR 7 HB THR 7 3.182 -5.470 -5.467 43 HG1 THR 7 HG1 THR 7 3.829 -6.508 -3.173 44 HG21 THR 7 HG21 THR 7 5.639 -7.092 -4.765 45 HG22 THR 7 HG22 THR 7 4.922 -6.952 -6.370 46 HG23 THR 7 HG23 THR 7 4.029 -7.740 -5.070 47 H PHE 8 H PHE 8 4.545 -3.534 -2.927 48 HA PHE 8 HA PHE 8 2.614 -1.582 -3.435 49 HB2 PHE 8 HB2 PHE 8 3.084 -2.486 -1.190 50 HB3 PHE 8 HB3 PHE 8 4.634 -1.654 -1.174 51 HD1 PHE 8 HD1 PHE 8 0.967 -1.119 -1.242 52 HD2 PHE 8 HD2 PHE 8 4.789 0.603 -0.478 53 HE1 PHE 8 HE1 PHE 8 -0.120 0.856 -0.260 54 HE2 PHE 8 HE2 PHE 8 3.702 2.578 0.505 55 HZ PHE 8 HZ PHE 8 1.247 2.707 0.614 56 H TYR 9 H TYR 9 6.112 -1.104 -2.938 57 HA TYR 9 HA TYR 9 6.213 1.649 -3.361 58 HB2 TYR 9 HB2 TYR 9 8.080 0.332 -2.438 59 HB3 TYR 9 HB3 TYR 9 8.333 -0.423 -4.007 60 HD1 TYR 9 HD1 TYR 9 8.609 2.746 -2.118 61 HD2 TYR 9 HD2 TYR 9 9.547 0.718 -5.742 62 HE1 TYR 9 HE1 TYR 9 10.154 4.557 -2.726 63 HE2 TYR 9 HE2 TYR 9 11.096 2.525 -6.357 64 HH TYR 9 HH TYR 9 11.398 4.964 -5.815 65 H ASN 10 H ASN 10 6.445 -0.998 -5.716 66 HA ASN 10 HA ASN 10 7.156 0.460 -7.988 67 HB2 ASN 10 HB2 ASN 10 7.164 -2.016 -7.834 68 HB3 ASN 10 HB3 ASN 10 5.403 -2.010 -7.850 69 HD21 ASN 10 HD21 ASN 10 4.331 -1.513 -9.776 70 HD22 ASN 10 HD22 ASN 10 5.135 -1.534 -11.299 71 H PHE 11 H PHE 11 3.960 -0.104 -6.571 72 HA PHE 11 HA PHE 11 2.546 1.149 -8.748 73 HB2 PHE 11 HB2 PHE 11 1.386 -0.551 -7.511 74 HB3 PHE 11 HB3 PHE 11 1.686 0.273 -5.984 75 HD1 PHE 11 HD1 PHE 11 0.141 1.066 -9.305 76 HD2 PHE 11 HD2 PHE 11 -0.125 1.358 -5.061 77 HE1 PHE 11 HE1 PHE 11 -2.011 2.237 -9.521 78 HE2 PHE 11 HE2 PHE 11 -2.278 2.525 -5.276 79 HZ PHE 11 HZ PHE 11 -3.229 2.968 -7.506 80 H ILE 12 H ILE 12 3.141 2.090 -5.344 81 HA ILE 12 HA ILE 12 1.743 4.525 -5.529 82 HB ILE 12 HB ILE 12 2.212 3.368 -3.395 83 HG12 ILE 12 HG12 ILE 12 2.672 5.406 -2.063 84 HG13 ILE 12 HG13 ILE 12 3.208 6.232 -3.521 85 HG21 ILE 12 HG21 ILE 12 4.530 2.719 -3.791 86 HG22 ILE 12 HG22 ILE 12 4.388 3.644 -2.295 87 HG23 ILE 12 HG23 ILE 12 5.025 4.412 -3.750 88 HD11 ILE 12 HD11 ILE 12 0.972 6.041 -4.460 89 HD12 ILE 12 HD12 ILE 12 0.949 6.868 -2.904 90 HD13 ILE 12 HD13 ILE 12 0.430 5.187 -3.014 91 H MET 13 H MET 13 5.092 3.766 -6.288 92 HA MET 13 HA MET 13 6.238 6.304 -6.037 93 HB2 MET 13 HB2 MET 13 8.018 5.512 -7.478 94 HB3 MET 13 HB3 MET 13 7.534 4.231 -6.381 95 HG2 MET 13 HG2 MET 13 7.878 3.204 -8.462 96 HG3 MET 13 HG3 MET 13 6.131 3.308 -8.266 97 HE1 MET 13 HE1 MET 13 6.595 3.761 -12.137 98 HE2 MET 13 HE2 MET 13 5.758 2.861 -10.871 99 HE3 MET 13 HE3 MET 13 7.504 2.702 -11.060 100 H GLY 14 H GLY 14 4.193 5.034 -8.588 101 HA2 GLY 14 HA2 GLY 14 4.771 6.836 -10.653 102 HA3 GLY 14 HA3 GLY 14 3.221 6.047 -10.413 103 H PHE 15 H PHE 15 2.810 7.286 -7.778 104 HA PHE 15 HA PHE 15 1.544 9.707 -8.647 105 HB2 PHE 15 HB2 PHE 15 1.895 8.514 -5.882 106 HB3 PHE 15 HB3 PHE 15 0.902 9.925 -6.235 107 HD1 PHE 15 HD1 PHE 15 1.232 6.286 -6.717 108 HD2 PHE 15 HD2 PHE 15 -1.254 9.707 -7.252 109 HE1 PHE 15 HE1 PHE 15 -0.674 4.820 -7.225 110 HE2 PHE 15 HE2 PHE 15 -3.162 8.241 -7.758 111 HZ PHE 15 HZ PHE 15 -2.875 5.794 -7.745 112 H GLN 16 H GLN 16 4.650 8.979 -7.381 113 HA GLN 16 HA GLN 16 5.188 11.580 -6.243 114 HB2 GLN 16 HB2 GLN 16 6.257 9.379 -5.546 115 HB3 GLN 16 HB3 GLN 16 7.182 9.440 -7.033 116 HG2 GLN 16 HG2 GLN 16 7.306 11.757 -5.155 117 HG3 GLN 16 HG3 GLN 16 8.179 10.283 -4.750 118 HE21 GLN 16 HE21 GLN 16 9.865 9.604 -6.117 119 HE22 GLN 16 HE22 GLN 16 10.661 10.715 -7.169 120 H ASN 17 H ASN 17 5.554 10.011 -9.338 121 HA ASN 17 HA ASN 17 7.468 11.722 -10.505 122 HB2 ASN 17 HB2 ASN 17 5.297 10.071 -11.812 123 HB3 ASN 17 HB3 ASN 17 6.645 10.818 -12.666 124 HD21 ASN 17 HD21 ASN 17 5.935 8.010 -12.421 125 HD22 ASN 17 HD22 ASN 17 7.312 7.232 -11.732 126 H ASP 18 H ASP 18 4.205 12.340 -9.731 127 HA ASP 18 HA ASP 18 4.358 14.889 -11.192 128 HB2 ASP 18 HB2 ASP 18 2.822 13.446 -12.453 129 HB3 ASP 18 HB3 ASP 18 1.886 13.139 -10.991 130 H ASN 19 H ASN 19 3.255 16.651 -10.181 131 HA ASN 19 HA ASN 19 3.413 16.617 -7.345 132 HB2 ASN 19 HB2 ASN 19 2.231 18.686 -9.213 133 HB3 ASN 19 HB3 ASN 19 2.480 18.930 -7.485 134 HD21 ASN 19 HD21 ASN 19 3.990 18.684 -10.583 135 HD22 ASN 19 HD22 ASN 19 5.566 19.167 -10.079 136 H THR 20 H THR 20 2.006 14.899 -6.764 137 HA THR 20 HA THR 20 -0.876 15.603 -6.772 138 HB THR 20 HB THR 20 -1.421 13.247 -6.662 139 HG1 THR 20 HG1 THR 20 1.272 12.465 -6.945 140 HG21 THR 20 HG21 THR 20 -1.032 14.111 -8.914 141 HG22 THR 20 HG22 THR 20 -0.513 12.429 -8.806 142 HG23 THR 20 HG23 THR 20 0.684 13.722 -8.783 143 HA PRO 21 HA PRO 21 -0.785 15.606 -2.281 144 HB2 PRO 21 HB2 PRO 21 -3.212 14.394 -1.757 145 HB3 PRO 21 HB3 PRO 21 -3.021 16.099 -2.181 146 HG2 PRO 21 HG2 PRO 21 -3.773 13.784 -3.930 147 HG3 PRO 21 HG3 PRO 21 -4.453 15.424 -3.886 148 HD2 PRO 21 HD2 PRO 21 -2.702 14.684 -5.784 149 HD3 PRO 21 HD3 PRO 21 -2.677 16.323 -5.096 150 H PHE 22 H PHE 22 -1.601 12.632 -3.997 151 HA PHE 22 HA PHE 22 -1.037 10.849 -1.822 152 HB2 PHE 22 HB2 PHE 22 -1.145 10.264 -4.795 153 HB3 PHE 22 HB3 PHE 22 -1.214 9.074 -3.501 154 HD1 PHE 22 HD1 PHE 22 -3.228 8.811 -2.152 155 HD2 PHE 22 HD2 PHE 22 -3.063 11.629 -5.343 156 HE1 PHE 22 HE1 PHE 22 -5.680 9.004 -2.106 157 HE2 PHE 22 HE2 PHE 22 -5.515 11.825 -5.301 158 HZ PHE 22 HZ PHE 22 -6.827 10.508 -3.684 159 H GLY 23 H GLY 23 0.833 12.328 -4.379 160 HA2 GLY 23 HA2 GLY 23 3.074 10.693 -4.503 161 HA3 GLY 23 HA3 GLY 23 3.085 12.425 -4.778 162 H ILE 24 H ILE 24 2.131 12.820 -1.919 163 HA ILE 24 HA ILE 24 4.613 13.186 -0.653 164 HB ILE 24 HB ILE 24 1.855 12.962 0.574 165 HG12 ILE 24 HG12 ILE 24 3.507 15.366 -0.268 166 HG13 ILE 24 HG13 ILE 24 2.046 14.778 -1.055 167 HG21 ILE 24 HG21 ILE 24 2.777 14.126 2.522 168 HG22 ILE 24 HG22 ILE 24 4.389 14.063 1.804 169 HG23 ILE 24 HG23 ILE 24 3.569 12.571 2.270 170 HD11 ILE 24 HD11 ILE 24 1.604 16.743 0.307 171 HD12 ILE 24 HD12 ILE 24 2.207 15.903 1.734 172 HD13 ILE 24 HD13 ILE 24 0.746 15.335 0.927 173 H LEU 25 H LEU 25 2.236 10.547 -0.351 174 HA LEU 25 HA LEU 25 3.687 9.057 1.589 175 HB2 LEU 25 HB2 LEU 25 1.241 8.805 0.997 176 HB3 LEU 25 HB3 LEU 25 1.737 8.003 -0.476 177 HG LEU 25 HG LEU 25 0.962 6.520 1.440 178 HD11 LEU 25 HD11 LEU 25 2.172 5.615 -0.467 179 HD12 LEU 25 HD12 LEU 25 2.625 4.785 1.023 180 HD13 LEU 25 HD13 LEU 25 3.709 5.986 0.316 181 HD21 LEU 25 HD21 LEU 25 2.571 5.996 3.195 182 HD22 LEU 25 HD22 LEU 25 2.105 7.696 3.251 183 HD23 LEU 25 HD23 LEU 25 3.667 7.232 2.576 184 H ALA 26 H ALA 26 3.561 8.960 -1.949 185 HA ALA 26 HA ALA 26 5.274 6.793 -2.409 186 HB1 ALA 26 HB1 ALA 26 4.858 9.256 -4.104 187 HB2 ALA 26 HB2 ALA 26 3.884 7.786 -4.145 188 HB3 ALA 26 HB3 ALA 26 5.574 7.738 -4.649 189 H GLU 27 H GLU 27 6.050 10.264 -2.143 190 HA GLU 27 HA GLU 27 8.841 10.002 -2.490 191 HB2 GLU 27 HB2 GLU 27 7.670 12.161 -2.669 192 HB3 GLU 27 HB3 GLU 27 7.293 12.103 -0.952 193 HG2 GLU 27 HG2 GLU 27 9.740 12.121 -0.473 194 HG3 GLU 27 HG3 GLU 27 10.026 12.352 -2.197 195 H HIS 28 H HIS 28 6.771 9.923 0.383 196 HA HIS 28 HA HIS 28 8.840 9.933 2.294 197 HB2 HIS 28 HB2 HIS 28 6.343 10.364 2.670 198 HB3 HIS 28 HB3 HIS 28 6.162 8.611 2.732 199 HD1 HIS 28 HD1 HIS 28 7.028 11.495 4.778 200 HD2 HIS 28 HD2 HIS 28 7.731 7.401 4.895 201 HE1 HIS 28 HE1 HIS 28 7.773 11.003 7.127 202 HE2 HIS 28 HE2 HIS 28 8.388 8.564 7.102 203 H VAL 29 H VAL 29 7.110 7.180 0.767 204 HA VAL 29 HA VAL 29 8.505 5.189 2.242 205 HB VAL 29 HB VAL 29 7.744 3.572 0.561 206 HG11 VAL 29 HG11 VAL 29 5.316 3.930 0.830 207 HG12 VAL 29 HG12 VAL 29 5.638 5.574 1.382 208 HG13 VAL 29 HG13 VAL 29 6.208 4.197 2.327 209 HG21 VAL 29 HG21 VAL 29 6.736 5.983 -0.957 210 HG22 VAL 29 HG22 VAL 29 6.376 4.301 -1.351 211 HG23 VAL 29 HG23 VAL 29 8.032 4.899 -1.461 212 H SER 30 H SER 30 9.298 6.942 -0.706 213 HA SER 30 HA SER 30 11.585 5.436 -1.450 214 HB2 SER 30 HB2 SER 30 10.640 7.082 -2.980 215 HB3 SER 30 HB3 SER 30 10.988 8.385 -1.846 216 HG SER 30 HG SER 30 12.587 7.289 -3.712 217 H GLU 31 H GLU 31 11.015 7.793 1.033 218 HA GLU 31 HA GLU 31 13.813 8.013 1.786 219 HB2 GLU 31 HB2 GLU 31 12.547 9.997 2.089 220 HB3 GLU 31 HB3 GLU 31 11.221 9.139 2.851 221 HG2 GLU 31 HG2 GLU 31 13.748 8.947 4.323 222 HG3 GLU 31 HG3 GLU 31 13.149 10.594 4.148 223 H ASP 32 H ASP 32 10.921 6.345 2.842 224 HA ASP 32 HA ASP 32 11.962 5.456 5.359 225 HB2 ASP 32 HB2 ASP 32 9.556 5.945 4.878 226 HB3 ASP 32 HB3 ASP 32 9.506 4.516 3.856 227 H LYS 33 H LYS 33 12.342 4.320 2.169 228 HA LYS 33 HA LYS 33 12.433 1.512 2.653 229 HB2 LYS 33 HB2 LYS 33 13.452 1.335 0.435 230 HB3 LYS 33 HB3 LYS 33 12.062 2.411 0.409 231 HG2 LYS 33 HG2 LYS 33 13.571 4.350 0.462 232 HG3 LYS 33 HG3 LYS 33 14.958 3.259 0.455 233 HD2 LYS 33 HD2 LYS 33 12.847 3.344 -1.708 234 HD3 LYS 33 HD3 LYS 33 14.377 4.217 -1.788 235 HE2 LYS 33 HE2 LYS 33 14.154 1.221 -1.475 236 HE3 LYS 33 HE3 LYS 33 14.355 2.042 -3.023 237 HZ1 LYS 33 HZ1 LYS 33 16.256 2.214 -0.743 238 HZ2 LYS 33 HZ2 LYS 33 16.447 2.930 -2.263 239 HZ3 LYS 33 HZ3 LYS 33 16.462 1.249 -2.116 240 H ALA 34 H ALA 34 14.448 3.767 3.917 241 HA ALA 34 HA ALA 34 17.021 2.646 3.573 242 HB1 ALA 34 HB1 ALA 34 16.630 4.904 4.464 243 HB2 ALA 34 HB2 ALA 34 17.657 3.945 5.530 244 HB3 ALA 34 HB3 ALA 34 15.961 4.200 5.936 245 H PHE 35 H PHE 35 14.334 1.722 5.565 246 HA PHE 35 HA PHE 35 15.857 -0.113 7.223 247 HB2 PHE 35 HB2 PHE 35 13.919 1.006 8.192 248 HB3 PHE 35 HB3 PHE 35 12.879 0.386 6.917 249 HD1 PHE 35 HD1 PHE 35 14.916 -0.605 9.850 250 HD2 PHE 35 HD2 PHE 35 11.852 -1.736 7.113 251 HE1 PHE 35 HE1 PHE 35 14.393 -2.561 11.247 252 HE2 PHE 35 HE2 PHE 35 11.327 -3.690 8.506 253 HZ PHE 35 HZ PHE 35 12.596 -4.107 10.574 254 HA PRO 36 HA PRO 36 15.858 -3.589 4.339 255 HB2 PRO 36 HB2 PRO 36 15.477 -5.101 6.907 256 HB3 PRO 36 HB3 PRO 36 16.610 -5.405 5.582 257 HG2 PRO 36 HG2 PRO 36 17.456 -4.263 7.826 258 HG3 PRO 36 HG3 PRO 36 18.055 -3.708 6.252 259 HD2 PRO 36 HD2 PRO 36 16.084 -2.420 8.087 260 HD3 PRO 36 HD3 PRO 36 17.281 -1.673 7.010 261 H ARG 37 H ARG 37 13.980 -3.646 3.194 262 HA ARG 37 HA ARG 37 11.428 -3.614 4.523 263 HB2 ARG 37 HB2 ARG 37 12.031 -3.791 1.564 264 HB3 ARG 37 HB3 ARG 37 10.492 -3.351 2.290 265 HG2 ARG 37 HG2 ARG 37 13.037 -1.770 2.639 266 HG3 ARG 37 HG3 ARG 37 11.816 -1.428 1.415 267 HD2 ARG 37 HD2 ARG 37 11.296 -1.460 4.391 268 HD3 ARG 37 HD3 ARG 37 11.628 -0.007 3.449 269 HE ARG 37 HE ARG 37 9.429 -1.572 2.451 270 HH11 ARG 37 HH11 ARG 37 10.370 0.950 4.592 271 HH12 ARG 37 HH12 ARG 37 8.794 1.643 4.665 272 HH21 ARG 37 HH21 ARG 37 7.403 -0.689 2.512 273 HH22 ARG 37 HH22 ARG 37 7.123 0.720 3.479 274 H LEU 38 H LEU 38 12.332 -5.689 1.747 275 HA LEU 38 HA LEU 38 11.538 -7.735 1.117 276 HB2 LEU 38 HB2 LEU 38 12.120 -8.220 4.039 277 HB3 LEU 38 HB3 LEU 38 11.618 -9.502 2.957 278 HG LEU 38 HG LEU 38 14.006 -9.594 3.192 279 HD11 LEU 38 HD11 LEU 38 14.729 -9.400 0.880 280 HD12 LEU 38 HD12 LEU 38 13.322 -8.411 0.501 281 HD13 LEU 38 HD13 LEU 38 13.114 -10.098 0.971 282 HD21 LEU 38 HD21 LEU 38 15.480 -7.748 2.581 283 HD22 LEU 38 HD22 LEU 38 14.412 -7.294 3.908 284 HD23 LEU 38 HD23 LEU 38 14.083 -6.717 2.276 285 H GLU 39 H GLU 39 9.552 -5.844 1.642 286 HA GLU 39 HA GLU 39 7.605 -6.758 3.507 287 HB2 GLU 39 HB2 GLU 39 6.249 -4.868 2.613 288 HB3 GLU 39 HB3 GLU 39 7.858 -4.411 3.144 289 HG2 GLU 39 HG2 GLU 39 8.473 -4.710 0.619 290 HG3 GLU 39 HG3 GLU 39 6.739 -4.527 0.375 291 H GLU 40 H GLU 40 7.363 -6.412 -0.048 292 HA GLU 40 HA GLU 40 5.800 -7.092 -1.525 293 HB2 GLU 40 HB2 GLU 40 5.822 -9.490 -1.949 294 HB3 GLU 40 HB3 GLU 40 7.427 -8.869 -1.619 295 HG2 GLU 40 HG2 GLU 40 7.411 -9.837 0.580 296 HG3 GLU 40 HG3 GLU 40 5.727 -10.327 0.395 297 H ARG 41 H ARG 41 4.938 -9.237 1.238 298 HA ARG 41 HA ARG 41 2.253 -9.522 0.440 299 HB2 ARG 41 HB2 ARG 41 3.306 -9.845 3.258 300 HB3 ARG 41 HB3 ARG 41 1.889 -10.614 2.553 301 HG2 ARG 41 HG2 ARG 41 3.410 -11.806 0.967 302 HG3 ARG 41 HG3 ARG 41 4.778 -11.134 1.854 303 HD2 ARG 41 HD2 ARG 41 4.448 -13.315 2.709 304 HD3 ARG 41 HD3 ARG 41 3.806 -12.214 3.929 305 HE ARG 41 HE ARG 41 1.867 -13.227 2.032 306 HH11 ARG 41 HH11 ARG 41 3.375 -13.676 5.090 307 HH12 ARG 41 HH12 ARG 41 2.100 -14.663 5.705 308 HH21 ARG 41 HH21 ARG 41 0.234 -14.514 2.822 309 HH22 ARG 41 HH22 ARG 41 0.344 -15.147 4.423 310 H HIS 42 H HIS 42 0.546 -8.221 0.629 311 HA HIS 42 HA HIS 42 0.948 -5.542 1.523 312 HB2 HIS 42 HB2 HIS 42 -1.631 -6.850 0.638 313 HB3 HIS 42 HB3 HIS 42 -1.306 -5.118 0.719 314 HD1 HIS 42 HD1 HIS 42 -1.973 -7.047 -1.860 315 HD2 HIS 42 HD2 HIS 42 1.621 -5.213 -0.858 316 HE1 HIS 42 HE1 HIS 42 -0.676 -6.890 -4.002 317 HE2 HIS 42 HE2 HIS 42 1.579 -6.016 -3.313 318 H GLN 43 H GLN 43 -0.175 -8.305 3.195 319 HA GLN 43 HA GLN 43 -2.019 -7.152 4.999 320 HB2 GLN 43 HB2 GLN 43 -1.514 -9.643 4.589 321 HB3 GLN 43 HB3 GLN 43 -0.157 -9.438 5.681 322 HG2 GLN 43 HG2 GLN 43 -3.043 -8.937 6.408 323 HG3 GLN 43 HG3 GLN 43 -2.162 -10.421 6.751 324 HE21 GLN 43 HE21 GLN 43 -0.492 -10.355 8.311 325 HE22 GLN 43 HE22 GLN 43 -0.427 -9.107 9.501 326 H VAL 44 H VAL 44 1.412 -7.995 5.594 327 HA VAL 44 HA VAL 44 1.669 -6.732 8.065 328 HB VAL 44 HB VAL 44 4.091 -6.823 7.733 329 HG11 VAL 44 HG11 VAL 44 4.300 -9.246 7.277 330 HG12 VAL 44 HG12 VAL 44 2.640 -9.257 6.679 331 HG13 VAL 44 HG13 VAL 44 2.967 -8.871 8.368 332 HG21 VAL 44 HG21 VAL 44 5.055 -7.602 5.601 333 HG22 VAL 44 HG22 VAL 44 4.229 -6.054 5.420 334 HG23 VAL 44 HG23 VAL 44 3.457 -7.536 4.861 335 H ILE 45 H ILE 45 1.838 -5.376 4.840 336 HA ILE 45 HA ILE 45 3.047 -2.915 5.341 337 HB ILE 45 HB ILE 45 0.743 -3.474 3.451 338 HG12 ILE 45 HG12 ILE 45 2.696 -4.898 3.017 339 HG13 ILE 45 HG13 ILE 45 2.490 -3.714 1.733 340 HG21 ILE 45 HG21 ILE 45 1.498 -1.481 2.233 341 HG22 ILE 45 HG22 ILE 45 2.703 -1.174 3.479 342 HG23 ILE 45 HG23 ILE 45 0.989 -1.081 3.873 343 HD11 ILE 45 HD11 ILE 45 4.264 -2.348 2.732 344 HD12 ILE 45 HD12 ILE 45 4.821 -3.965 2.302 345 HD13 ILE 45 HD13 ILE 45 4.481 -3.569 3.986 346 H ARG 46 H ARG 46 -0.433 -3.741 5.535 347 HA ARG 46 HA ARG 46 -1.354 -1.219 6.323 348 HB2 ARG 46 HB2 ARG 46 -2.809 -3.093 5.554 349 HB3 ARG 46 HB3 ARG 46 -2.550 -3.893 7.103 350 HG2 ARG 46 HG2 ARG 46 -3.599 -1.992 8.253 351 HG3 ARG 46 HG3 ARG 46 -3.864 -1.201 6.698 352 HD2 ARG 46 HD2 ARG 46 -5.912 -2.248 7.365 353 HD3 ARG 46 HD3 ARG 46 -5.249 -3.155 6.009 354 HE ARG 46 HE ARG 46 -4.313 -4.530 8.115 355 HH11 ARG 46 HH11 ARG 46 -7.474 -3.364 7.395 356 HH12 ARG 46 HH12 ARG 46 -8.258 -4.675 8.204 357 HH21 ARG 46 HH21 ARG 46 -5.336 -6.190 9.172 358 HH22 ARG 46 HH22 ARG 46 -7.063 -6.246 9.202 359 H ALA 47 H ALA 47 -0.111 -3.897 8.266 360 HA ALA 47 HA ALA 47 -0.730 -2.818 10.814 361 HB1 ALA 47 HB1 ALA 47 -0.184 -5.182 10.472 362 HB2 ALA 47 HB2 ALA 47 0.866 -4.450 11.687 363 HB3 ALA 47 HB3 ALA 47 1.471 -4.742 10.055 364 H TYR 48 H TYR 48 2.306 -2.763 8.921 365 HA TYR 48 HA TYR 48 3.730 -1.242 10.851 366 HB2 TYR 48 HB2 TYR 48 4.272 -2.009 8.002 367 HB3 TYR 48 HB3 TYR 48 5.321 -0.854 8.818 368 HD1 TYR 48 HD1 TYR 48 3.979 -4.321 9.058 369 HD2 TYR 48 HD2 TYR 48 7.001 -1.592 10.306 370 HE1 TYR 48 HE1 TYR 48 5.201 -6.168 10.123 371 HE2 TYR 48 HE2 TYR 48 8.232 -3.435 11.368 372 HH TYR 48 HH TYR 48 7.478 -6.715 10.850 373 H VAL 49 H VAL 49 1.908 -0.243 7.955 374 HA VAL 49 HA VAL 49 2.803 2.455 8.027 375 HB VAL 49 HB VAL 49 0.943 3.014 6.553 376 HG11 VAL 49 HG11 VAL 49 2.934 2.028 5.575 377 HG12 VAL 49 HG12 VAL 49 1.498 1.514 4.689 378 HG13 VAL 49 HG13 VAL 49 2.277 0.407 5.819 379 HG21 VAL 49 HG21 VAL 49 -0.831 1.698 7.544 380 HG22 VAL 49 HG22 VAL 49 -0.026 0.200 7.072 381 HG23 VAL 49 HG23 VAL 49 -0.668 1.283 5.837 382 H MET 50 H MET 50 -0.027 0.851 9.481 383 HA MET 50 HA MET 50 -1.135 3.198 10.647 384 HB2 MET 50 HB2 MET 50 -1.389 0.281 11.417 385 HB3 MET 50 HB3 MET 50 -2.319 1.573 12.165 386 HG2 MET 50 HG2 MET 50 -3.354 2.101 10.030 387 HG3 MET 50 HG3 MET 50 -2.381 0.865 9.234 388 HE1 MET 50 HE1 MET 50 -5.202 1.533 11.901 389 HE2 MET 50 HE2 MET 50 -4.025 0.580 12.805 390 HE3 MET 50 HE3 MET 50 -5.598 -0.111 12.407 391 H SER 51 H SER 51 1.472 1.101 11.560 392 HA SER 51 HA SER 51 1.680 2.024 14.282 393 HB2 SER 51 HB2 SER 51 2.483 -0.210 13.699 394 HB3 SER 51 HB3 SER 51 3.639 0.477 12.558 395 HG SER 51 HG SER 51 4.834 1.261 14.220 396 H ASN 52 H ASN 52 3.322 2.763 11.226 397 HA ASN 52 HA ASN 52 5.155 4.599 12.575 398 HB2 ASN 52 HB2 ASN 52 5.019 3.804 9.656 399 HB3 ASN 52 HB3 ASN 52 6.301 4.745 10.414 400 HD21 ASN 52 HD21 ASN 52 6.540 2.251 9.012 401 HD22 ASN 52 HD22 ASN 52 7.198 1.117 10.130 402 H TYR 53 H TYR 53 2.946 4.805 9.745 403 HA TYR 53 HA TYR 53 3.303 7.654 9.570 404 HB2 TYR 53 HB2 TYR 53 1.332 5.903 8.076 405 HB3 TYR 53 HB3 TYR 53 1.814 7.541 7.645 406 HD1 TYR 53 HD1 TYR 53 4.757 7.399 8.014 407 HD2 TYR 53 HD2 TYR 53 2.064 4.591 6.272 408 HE1 TYR 53 HE1 TYR 53 6.584 6.492 6.642 409 HE2 TYR 53 HE2 TYR 53 3.891 3.684 4.903 410 HH TYR 53 HH TYR 53 7.116 4.297 5.487 411 H THR 54 H THR 54 2.452 8.803 11.212 412 HA THR 54 HA THR 54 -0.142 8.175 12.349 413 HB THR 54 HB THR 54 0.230 10.092 13.840 414 HG1 THR 54 HG1 THR 54 2.819 10.587 13.060 415 HG21 THR 54 HG21 THR 54 1.207 7.935 14.451 416 HG22 THR 54 HG22 THR 54 2.237 9.262 14.988 417 HG23 THR 54 HG23 THR 54 2.673 8.330 13.554 418 H ASP 55 H ASP 55 0.924 10.010 9.719 419 HA ASP 55 HA ASP 55 -1.013 12.127 9.848 420 HB2 ASP 55 HB2 ASP 55 1.130 12.432 8.691 421 HB3 ASP 55 HB3 ASP 55 0.699 11.170 7.539 422 H HIS 56 H HIS 56 -3.042 12.175 9.087 423 HA HIS 56 HA HIS 56 -4.421 9.818 8.488 424 HB2 HIS 56 HB2 HIS 56 -5.491 11.808 9.448 425 HB3 HIS 56 HB3 HIS 56 -5.256 12.673 7.933 426 HD1 HIS 56 HD1 HIS 56 -7.688 13.004 7.303 427 HD2 HIS 56 HD2 HIS 56 -6.771 9.034 8.135 428 HE1 HIS 56 HE1 HIS 56 -9.715 11.683 6.632 429 HE2 HIS 56 HE2 HIS 56 -9.056 9.278 6.958 430 H GLN 57 H GLN 57 -3.154 12.319 6.275 431 HA GLN 57 HA GLN 57 -4.461 11.321 3.956 432 HB2 GLN 57 HB2 GLN 57 -1.978 13.035 4.204 433 HB3 GLN 57 HB3 GLN 57 -2.823 12.720 2.695 434 HG2 GLN 57 HG2 GLN 57 -3.959 14.144 5.101 435 HG3 GLN 57 HG3 GLN 57 -3.420 14.894 3.600 436 HE21 GLN 57 HE21 GLN 57 -4.662 14.623 1.731 437 HE22 GLN 57 HE22 GLN 57 -6.308 14.112 1.800 438 H LEU 58 H LEU 58 -1.252 10.704 5.339 439 HA LEU 58 HA LEU 58 -0.271 9.018 3.309 440 HB2 LEU 58 HB2 LEU 58 0.260 8.870 6.286 441 HB3 LEU 58 HB3 LEU 58 1.210 8.075 5.043 442 HG LEU 58 HG LEU 58 0.959 11.058 5.484 443 HD11 LEU 58 HD11 LEU 58 2.410 9.933 7.090 444 HD12 LEU 58 HD12 LEU 58 3.349 10.936 5.984 445 HD13 LEU 58 HD13 LEU 58 3.312 9.187 5.769 446 HD21 LEU 58 HD21 LEU 58 2.517 9.584 3.353 447 HD22 LEU 58 HD22 LEU 58 2.554 11.321 3.653 448 HD23 LEU 58 HD23 LEU 58 1.070 10.556 3.086 449 H ILE 59 H ILE 59 -2.191 8.288 6.205 450 HA ILE 59 HA ILE 59 -2.406 5.501 5.816 451 HB ILE 59 HB ILE 59 -4.351 7.380 7.186 452 HG12 ILE 59 HG12 ILE 59 -2.098 5.688 8.314 453 HG13 ILE 59 HG13 ILE 59 -2.059 7.435 8.115 454 HG21 ILE 59 HG21 ILE 59 -4.088 4.373 7.408 455 HG22 ILE 59 HG22 ILE 59 -5.410 5.243 6.632 456 HG23 ILE 59 HG23 ILE 59 -5.163 5.388 8.370 457 HD11 ILE 59 HD11 ILE 59 -2.487 6.822 10.417 458 HD12 ILE 59 HD12 ILE 59 -3.913 5.905 9.929 459 HD13 ILE 59 HD13 ILE 59 -3.881 7.657 9.727 460 H GLU 60 H GLU 60 -4.581 8.153 4.825 461 HA GLU 60 HA GLU 60 -6.609 6.742 3.582 462 HB2 GLU 60 HB2 GLU 60 -5.358 9.391 2.824 463 HB3 GLU 60 HB3 GLU 60 -6.821 8.771 2.073 464 HG2 GLU 60 HG2 GLU 60 -6.502 9.345 5.016 465 HG3 GLU 60 HG3 GLU 60 -7.254 10.426 3.845 466 H THR 61 H THR 61 -3.655 7.994 2.040 467 HA THR 61 HA THR 61 -4.017 6.955 -0.516 468 HB THR 61 HB THR 61 -1.377 7.322 0.936 469 HG1 THR 61 HG1 THR 61 -2.374 9.293 0.944 470 HG21 THR 61 HG21 THR 61 -1.176 6.021 -1.150 471 HG22 THR 61 HG22 THR 61 -0.417 7.607 -1.294 472 HG23 THR 61 HG23 THR 61 -1.993 7.314 -2.029 473 H THR 62 H THR 62 -2.326 5.510 2.258 474 HA THR 62 HA THR 62 -1.371 3.228 0.902 475 HB THR 62 HB THR 62 -1.835 3.570 3.877 476 HG1 THR 62 HG1 THR 62 -0.317 5.040 3.449 477 HG21 THR 62 HG21 THR 62 -1.551 1.209 3.219 478 HG22 THR 62 HG22 THR 62 -0.165 1.798 4.134 479 HG23 THR 62 HG23 THR 62 -0.055 1.628 2.384 480 H ASN 63 H ASN 63 -4.117 3.444 3.236 481 HA ASN 63 HA ASN 63 -4.714 0.707 3.159 482 HB2 ASN 63 HB2 ASN 63 -6.636 1.176 4.415 483 HB3 ASN 63 HB3 ASN 63 -5.543 2.491 4.830 484 HD21 ASN 63 HD21 ASN 63 -6.025 4.579 4.082 485 HD22 ASN 63 HD22 ASN 63 -7.581 4.992 3.461 486 H ARG 64 H ARG 64 -5.891 3.343 1.139 487 HA ARG 64 HA ARG 64 -7.910 1.831 -0.186 488 HB2 ARG 64 HB2 ARG 64 -7.774 4.343 0.023 489 HB3 ARG 64 HB3 ARG 64 -6.522 4.313 -1.208 490 HG2 ARG 64 HG2 ARG 64 -8.029 3.582 -2.874 491 HG3 ARG 64 HG3 ARG 64 -9.260 3.156 -1.678 492 HD2 ARG 64 HD2 ARG 64 -8.294 5.931 -2.386 493 HD3 ARG 64 HD3 ARG 64 -9.875 5.235 -2.749 494 HE ARG 64 HE ARG 64 -9.853 5.049 -0.098 495 HH11 ARG 64 HH11 ARG 64 -8.997 7.703 -2.128 496 HH12 ARG 64 HH12 ARG 64 -9.380 8.877 -0.919 497 HH21 ARG 64 HH21 ARG 64 -10.320 6.580 1.438 498 HH22 ARG 64 HH22 ARG 64 -10.103 8.254 1.064 499 H ALA 65 H ALA 65 -4.536 2.608 -0.973 500 HA ALA 65 HA ALA 65 -4.430 1.353 -3.501 501 HB1 ALA 65 HB1 ALA 65 -2.702 2.886 -2.683 502 HB2 ALA 65 HB2 ALA 65 -2.009 1.346 -3.193 503 HB3 ALA 65 HB3 ALA 65 -2.216 1.697 -1.475 504 H ILE 66 H ILE 66 -3.771 0.120 -0.236 505 HA ILE 66 HA ILE 66 -3.082 -2.519 -0.895 506 HB ILE 66 HB ILE 66 -4.502 -1.487 1.576 507 HG12 ILE 66 HG12 ILE 66 -2.311 -0.447 1.230 508 HG13 ILE 66 HG13 ILE 66 -2.255 -1.543 2.605 509 HG21 ILE 66 HG21 ILE 66 -4.829 -3.894 1.349 510 HG22 ILE 66 HG22 ILE 66 -3.735 -3.537 2.686 511 HG23 ILE 66 HG23 ILE 66 -3.091 -4.125 1.153 512 HD11 ILE 66 HD11 ILE 66 -0.249 -1.722 1.254 513 HD12 ILE 66 HD12 ILE 66 -1.218 -2.123 -0.163 514 HD13 ILE 66 HD13 ILE 66 -1.166 -3.228 1.210 515 H SER 67 H SER 67 -6.275 -1.131 -0.098 516 HA SER 67 HA SER 67 -7.903 -3.344 -0.324 517 HB2 SER 67 HB2 SER 67 -8.840 -1.218 0.332 518 HB3 SER 67 HB3 SER 67 -8.426 -0.494 -1.220 519 HG SER 67 HG SER 67 -10.308 -2.588 -0.785 520 H LEU 68 H LEU 68 -6.821 -1.220 -2.974 521 HA LEU 68 HA LEU 68 -8.085 -2.583 -5.078 522 HB2 LEU 68 HB2 LEU 68 -5.504 -1.007 -5.138 523 HB3 LEU 68 HB3 LEU 68 -6.445 -1.464 -6.545 524 HG LEU 68 HG LEU 68 -7.360 0.403 -4.348 525 HD11 LEU 68 HD11 LEU 68 -6.544 0.968 -7.200 526 HD12 LEU 68 HD12 LEU 68 -5.637 1.398 -5.749 527 HD13 LEU 68 HD13 LEU 68 -7.204 2.144 -6.061 528 HD21 LEU 68 HD21 LEU 68 -9.221 -0.863 -5.293 529 HD22 LEU 68 HD22 LEU 68 -8.725 -0.395 -6.921 530 HD23 LEU 68 HD23 LEU 68 -9.294 0.830 -5.785 531 H TYR 69 H TYR 69 -4.675 -2.850 -3.993 532 HA TYR 69 HA TYR 69 -4.217 -5.048 -5.810 533 HB2 TYR 69 HB2 TYR 69 -2.498 -3.486 -3.919 534 HB3 TYR 69 HB3 TYR 69 -1.909 -5.018 -4.565 535 HD1 TYR 69 HD1 TYR 69 -3.095 -1.633 -5.514 536 HD2 TYR 69 HD2 TYR 69 -1.149 -5.196 -6.804 537 HE1 TYR 69 HE1 TYR 69 -2.463 -0.525 -7.615 538 HE2 TYR 69 HE2 TYR 69 -0.508 -4.093 -8.903 539 HH TYR 69 HH TYR 69 -0.733 -0.763 -9.392 540 H MET 70 H MET 70 -5.995 -5.246 -3.252 541 HA MET 70 HA MET 70 -5.042 -7.988 -2.689 542 HB2 MET 70 HB2 MET 70 -6.714 -6.173 -0.931 543 HB3 MET 70 HB3 MET 70 -6.426 -7.876 -0.597 544 HG2 MET 70 HG2 MET 70 -4.361 -5.684 -0.701 545 HG3 MET 70 HG3 MET 70 -4.943 -6.532 0.732 546 HE1 MET 70 HE1 MET 70 -4.460 -9.118 1.210 547 HE2 MET 70 HE2 MET 70 -3.541 -10.157 0.120 548 HE3 MET 70 HE3 MET 70 -5.118 -9.539 -0.370 549 H ALA 71 H ALA 71 -8.056 -6.060 -2.784 550 HA ALA 71 HA ALA 71 -9.828 -8.173 -3.220 551 HB1 ALA 71 HB1 ALA 71 -11.404 -6.476 -4.024 552 HB2 ALA 71 HB2 ALA 71 -10.087 -5.312 -4.148 553 HB3 ALA 71 HB3 ALA 71 -10.564 -5.938 -2.570 554 H ASN 72 H ASN 72 -8.205 -6.088 -5.632 555 HA ASN 72 HA ASN 72 -9.356 -7.264 -7.923 556 HB2 ASN 72 HB2 ASN 72 -8.205 -5.094 -7.981 557 HB3 ASN 72 HB3 ASN 72 -6.672 -5.882 -7.628 558 HD21 ASN 72 HD21 ASN 72 -5.733 -5.122 -9.523 559 HD22 ASN 72 HD22 ASN 72 -6.153 -5.748 -11.078 560 H LEU 73 H LEU 73 -6.385 -8.044 -6.141 561 HA LEU 73 HA LEU 73 -5.368 -9.988 -7.907 562 HB2 LEU 73 HB2 LEU 73 -4.043 -8.965 -6.111 563 HB3 LEU 73 HB3 LEU 73 -5.034 -9.770 -4.908 564 HG LEU 73 HG LEU 73 -4.224 -11.963 -5.718 565 HD11 LEU 73 HD11 LEU 73 -3.767 -11.357 -8.036 566 HD12 LEU 73 HD12 LEU 73 -2.348 -12.081 -7.280 567 HD13 LEU 73 HD13 LEU 73 -2.427 -10.333 -7.519 568 HD21 LEU 73 HD21 LEU 73 -2.018 -10.031 -4.991 569 HD22 LEU 73 HD22 LEU 73 -1.949 -11.788 -4.840 570 HD23 LEU 73 HD23 LEU 73 -3.084 -10.864 -3.859 571 H GLU 74 H GLU 74 -7.204 -10.463 -4.868 572 HA GLU 74 HA GLU 74 -7.596 -13.213 -5.051 573 HB2 GLU 74 HB2 GLU 74 -9.481 -11.146 -3.892 574 HB3 GLU 74 HB3 GLU 74 -9.539 -12.872 -3.562 575 HG2 GLU 74 HG2 GLU 74 -7.373 -12.774 -2.483 576 HG3 GLU 74 HG3 GLU 74 -7.222 -11.065 -2.886 577 H HIS 75 H HIS 75 -9.680 -10.597 -6.250 578 HA HIS 75 HA HIS 75 -11.701 -12.229 -7.347 579 HB2 HIS 75 HB2 HIS 75 -11.825 -9.751 -6.842 580 HB3 HIS 75 HB3 HIS 75 -10.907 -9.473 -8.315 581 HD1 HIS 75 HD1 HIS 75 -12.334 -8.949 -10.268 582 HD2 HIS 75 HD2 HIS 75 -14.331 -11.309 -7.492 583 HE1 HIS 75 HE1 HIS 75 -14.666 -9.205 -11.154 584 HE2 HIS 75 HE2 HIS 75 -15.903 -10.425 -9.339 585 H HIS 76 H HIS 76 -8.565 -11.335 -8.546 586 HA HIS 76 HA HIS 76 -9.144 -12.097 -11.291 587 HB2 HIS 76 HB2 HIS 76 -7.641 -10.210 -10.830 588 HB3 HIS 76 HB3 HIS 76 -6.540 -11.282 -9.973 589 HD1 HIS 76 HD1 HIS 76 -7.967 -10.839 -13.466 590 HD2 HIS 76 HD2 HIS 76 -4.598 -12.346 -11.562 591 HE1 HIS 76 HE1 HIS 76 -6.397 -11.496 -15.306 592 HE2 HIS 76 HE2 HIS 76 -4.316 -12.282 -14.130 593 H HIS 77 H HIS 77 -8.244 -13.753 -8.472 594 HA HIS 77 HA HIS 77 -6.440 -15.684 -9.344 595 HB2 HIS 77 HB2 HIS 77 -7.137 -15.428 -6.996 596 HB3 HIS 77 HB3 HIS 77 -8.730 -16.060 -7.391 597 HD1 HIS 77 HD1 HIS 77 -9.013 -18.531 -7.162 598 HD2 HIS 77 HD2 HIS 77 -5.011 -17.431 -7.393 599 HE1 HIS 77 HE1 HIS 77 -7.711 -20.637 -6.748 600 HE2 HIS 77 HE2 HIS 77 -5.296 -19.950 -6.874 601 H HIS 78 H HIS 78 -9.962 -15.625 -9.696 602 HA HIS 78 HA HIS 78 -9.841 -17.149 -12.110 603 HB2 HIS 78 HB2 HIS 78 -9.676 -19.040 -10.577 604 HB3 HIS 78 HB3 HIS 78 -11.079 -18.476 -9.678 605 HD1 HIS 78 HD1 HIS 78 -10.165 -19.913 -13.062 606 HD2 HIS 78 HD2 HIS 78 -13.499 -19.356 -10.645 607 HE1 HIS 78 HE1 HIS 78 -12.021 -21.172 -14.177 608 HE2 HIS 78 HE2 HIS 78 -13.968 -20.983 -12.599 609 H HIS 79 H HIS 79 -12.235 -16.691 -9.512 610 HA HIS 79 HA HIS 79 -13.617 -14.568 -10.704 611 HB2 HIS 79 HB2 HIS 79 -14.216 -16.359 -12.372 612 HB3 HIS 79 HB3 HIS 79 -15.052 -17.213 -11.079 613 HD1 HIS 79 HD1 HIS 79 -15.159 -13.817 -12.794 614 HD2 HIS 79 HD2 HIS 79 -17.676 -16.488 -10.837 615 HE1 HIS 79 HE1 HIS 79 -17.465 -12.861 -13.022 616 HE2 HIS 79 HE2 HIS 79 -18.979 -14.542 -11.932 617 H HIS 80 H HIS 80 -13.989 -13.662 -8.782 618 HA HIS 80 HA HIS 80 -14.647 -13.295 -6.639 619 HB2 HIS 80 HB2 HIS 80 -16.870 -14.030 -7.516 620 HB3 HIS 80 HB3 HIS 80 -16.483 -15.677 -7.034 621 HD1 HIS 80 HD1 HIS 80 -16.167 -16.046 -4.391 622 HD2 HIS 80 HD2 HIS 80 -17.985 -12.490 -5.537 623 HE1 HIS 80 HE1 HIS 80 -17.298 -15.172 -2.326 624 HE2 HIS 80 HE2 HIS 80 -18.463 -13.068 -3.064 Start of MODEL 18 1 H1 MET 1 H1 MET 1 20.539 -11.485 1.031 2 H2 MET 1 H2 MET 1 20.425 -12.510 -0.309 3 H3 MET 1 H3 MET 1 19.042 -12.145 0.594 4 HA MET 1 HA MET 1 19.204 -9.822 -0.051 5 HB2 MET 1 HB2 MET 1 21.464 -10.806 -1.816 6 HB3 MET 1 HB3 MET 1 20.776 -9.188 -1.852 7 HG2 MET 1 HG2 MET 1 21.529 -8.825 0.451 8 HG3 MET 1 HG3 MET 1 22.240 -10.438 0.467 9 HE1 MET 1 HE1 MET 1 23.398 -10.577 -2.575 10 HE2 MET 1 HE2 MET 1 24.230 -11.178 -1.141 11 HE3 MET 1 HE3 MET 1 25.059 -10.086 -2.248 12 H ALA 2 H ALA 2 17.122 -10.577 -0.656 13 HA ALA 2 HA ALA 2 16.546 -10.628 -3.411 14 HB1 ALA 2 HB1 ALA 2 16.410 -13.362 -2.113 15 HB2 ALA 2 HB2 ALA 2 17.558 -12.867 -3.358 16 HB3 ALA 2 HB3 ALA 2 15.837 -12.954 -3.732 17 H GLY 3 H GLY 3 14.165 -11.841 -3.634 18 HA2 GLY 3 HA2 GLY 3 12.047 -12.224 -2.684 19 HA3 GLY 3 HA3 GLY 3 12.574 -11.431 -1.211 20 H ASP 4 H ASP 4 13.175 -8.967 -1.740 21 HA ASP 4 HA ASP 4 10.658 -7.777 -2.097 22 HB2 ASP 4 HB2 ASP 4 12.258 -6.760 -0.633 23 HB3 ASP 4 HB3 ASP 4 13.410 -6.546 -1.950 24 HA PRO 5 HA PRO 5 10.957 -6.644 -6.470 25 HB2 PRO 5 HB2 PRO 5 8.431 -7.220 -7.125 26 HB3 PRO 5 HB3 PRO 5 9.613 -8.507 -6.875 27 HG2 PRO 5 HG2 PRO 5 7.344 -7.694 -5.166 28 HG3 PRO 5 HG3 PRO 5 8.181 -9.252 -5.253 29 HD2 PRO 5 HD2 PRO 5 8.594 -7.076 -3.369 30 HD3 PRO 5 HD3 PRO 5 9.335 -8.690 -3.374 31 H MET 6 H MET 6 9.857 -5.153 -3.808 32 HA MET 6 HA MET 6 8.823 -3.215 -3.239 33 HB2 MET 6 HB2 MET 6 9.567 -2.557 -6.091 34 HB3 MET 6 HB3 MET 6 8.872 -1.378 -4.990 35 HG2 MET 6 HG2 MET 6 11.336 -2.867 -4.188 36 HG3 MET 6 HG3 MET 6 11.452 -1.522 -5.318 37 HE1 MET 6 HE1 MET 6 9.174 -2.068 -2.028 38 HE2 MET 6 HE2 MET 6 10.184 -1.191 -0.879 39 HE3 MET 6 HE3 MET 6 10.794 -2.654 -1.656 40 H THR 7 H THR 7 6.950 -4.989 -3.443 41 HA THR 7 HA THR 7 4.990 -4.833 -5.427 42 HB THR 7 HB THR 7 3.415 -5.781 -3.765 43 HG1 THR 7 HG1 THR 7 4.847 -6.233 -1.662 44 HG21 THR 7 HG21 THR 7 6.189 -6.984 -3.656 45 HG22 THR 7 HG22 THR 7 4.974 -7.283 -4.901 46 HG23 THR 7 HG23 THR 7 4.693 -7.822 -3.245 47 H PHE 8 H PHE 8 4.810 -3.283 -2.201 48 HA PHE 8 HA PHE 8 2.580 -1.663 -2.808 49 HB2 PHE 8 HB2 PHE 8 3.176 -2.128 -0.507 50 HB3 PHE 8 HB3 PHE 8 4.735 -1.335 -0.704 51 HD1 PHE 8 HD1 PHE 8 1.072 -0.667 -0.854 52 HD2 PHE 8 HD2 PHE 8 4.967 0.925 -0.158 53 HE1 PHE 8 HE1 PHE 8 0.073 1.459 -0.125 54 HE2 PHE 8 HE2 PHE 8 3.967 3.053 0.571 55 HZ PHE 8 HZ PHE 8 1.518 3.321 0.588 56 H TYR 9 H TYR 9 6.060 -0.944 -2.857 57 HA TYR 9 HA TYR 9 5.864 1.807 -3.331 58 HB2 TYR 9 HB2 TYR 9 7.925 0.696 -2.565 59 HB3 TYR 9 HB3 TYR 9 8.093 -0.076 -4.137 60 HD1 TYR 9 HD1 TYR 9 7.733 3.343 -2.662 61 HD2 TYR 9 HD2 TYR 9 9.505 0.931 -5.695 62 HE1 TYR 9 HE1 TYR 9 9.009 5.285 -3.455 63 HE2 TYR 9 HE2 TYR 9 10.791 2.872 -6.495 64 HH TYR 9 HH TYR 9 10.622 5.359 -6.419 65 H ASN 10 H ASN 10 6.026 -0.890 -5.628 66 HA ASN 10 HA ASN 10 6.526 0.524 -7.975 67 HB2 ASN 10 HB2 ASN 10 6.540 -1.979 -7.675 68 HB3 ASN 10 HB3 ASN 10 4.782 -1.944 -7.767 69 HD21 ASN 10 HD21 ASN 10 3.803 -1.372 -9.748 70 HD22 ASN 10 HD22 ASN 10 4.672 -1.469 -11.234 71 H PHE 11 H PHE 11 3.536 0.217 -6.193 72 HA PHE 11 HA PHE 11 1.982 1.353 -8.397 73 HB2 PHE 11 HB2 PHE 11 0.993 -0.511 -7.124 74 HB3 PHE 11 HB3 PHE 11 1.069 0.452 -5.651 75 HD1 PHE 11 HD1 PHE 11 -0.494 0.250 -9.006 76 HD2 PHE 11 HD2 PHE 11 -0.636 2.015 -5.129 77 HE1 PHE 11 HE1 PHE 11 -2.707 1.194 -9.519 78 HE2 PHE 11 HE2 PHE 11 -2.850 2.959 -5.639 79 HZ PHE 11 HZ PHE 11 -3.886 2.548 -7.837 80 H ILE 12 H ILE 12 2.751 2.153 -4.995 81 HA ILE 12 HA ILE 12 1.324 4.566 -4.907 82 HB ILE 12 HB ILE 12 2.186 3.354 -2.906 83 HG12 ILE 12 HG12 ILE 12 2.778 5.403 -1.602 84 HG13 ILE 12 HG13 ILE 12 2.929 6.288 -3.114 85 HG21 ILE 12 HG21 ILE 12 4.476 3.722 -2.150 86 HG22 ILE 12 HG22 ILE 12 4.835 4.606 -3.633 87 HG23 ILE 12 HG23 ILE 12 4.448 2.886 -3.703 88 HD11 ILE 12 HD11 ILE 12 0.570 5.920 -3.579 89 HD12 ILE 12 HD12 ILE 12 0.799 6.715 -2.021 90 HD13 ILE 12 HD13 ILE 12 0.413 4.996 -2.085 91 H MET 13 H MET 13 4.585 3.894 -6.073 92 HA MET 13 HA MET 13 5.531 6.540 -6.231 93 HB2 MET 13 HB2 MET 13 7.176 5.696 -7.833 94 HB3 MET 13 HB3 MET 13 7.009 4.598 -6.472 95 HG2 MET 13 HG2 MET 13 7.173 3.252 -8.400 96 HG3 MET 13 HG3 MET 13 5.478 3.214 -7.922 97 HE1 MET 13 HE1 MET 13 7.106 5.716 -11.444 98 HE2 MET 13 HE2 MET 13 8.104 4.614 -10.493 99 HE3 MET 13 HE3 MET 13 7.457 6.079 -9.753 100 H GLY 14 H GLY 14 3.179 4.878 -8.131 101 HA2 GLY 14 HA2 GLY 14 3.217 6.338 -10.521 102 HA3 GLY 14 HA3 GLY 14 1.788 5.607 -9.809 103 H PHE 15 H PHE 15 1.978 7.224 -7.356 104 HA PHE 15 HA PHE 15 0.701 9.647 -8.322 105 HB2 PHE 15 HB2 PHE 15 1.231 8.701 -5.488 106 HB3 PHE 15 HB3 PHE 15 0.237 10.085 -5.933 107 HD1 PHE 15 HD1 PHE 15 -1.900 9.726 -7.162 108 HD2 PHE 15 HD2 PHE 15 0.370 6.483 -5.575 109 HE1 PHE 15 HE1 PHE 15 -3.867 8.258 -7.348 110 HE2 PHE 15 HE2 PHE 15 -1.595 5.017 -5.760 111 HZ PHE 15 HZ PHE 15 -3.715 5.900 -6.647 112 H GLN 16 H GLN 16 3.845 8.718 -7.523 113 HA GLN 16 HA GLN 16 4.752 11.356 -6.670 114 HB2 GLN 16 HB2 GLN 16 5.733 9.406 -5.587 115 HB3 GLN 16 HB3 GLN 16 6.241 8.759 -7.138 116 HG2 GLN 16 HG2 GLN 16 8.112 9.721 -5.915 117 HG3 GLN 16 HG3 GLN 16 7.813 10.595 -7.417 118 HE21 GLN 16 HE21 GLN 16 8.865 12.441 -6.658 119 HE22 GLN 16 HE22 GLN 16 8.172 13.463 -5.446 120 H ASN 17 H ASN 17 4.466 9.527 -9.587 121 HA ASN 17 HA ASN 17 6.399 10.603 -11.249 122 HB2 ASN 17 HB2 ASN 17 3.509 9.966 -11.910 123 HB3 ASN 17 HB3 ASN 17 4.768 10.249 -13.109 124 HD21 ASN 17 HD21 ASN 17 3.132 7.869 -12.579 125 HD22 ASN 17 HD22 ASN 17 4.252 6.585 -12.296 126 H ASP 18 H ASP 18 3.255 12.023 -10.384 127 HA ASP 18 HA ASP 18 4.287 14.649 -11.262 128 HB2 ASP 18 HB2 ASP 18 2.280 13.962 -12.502 129 HB3 ASP 18 HB3 ASP 18 1.412 13.717 -10.989 130 H ASN 19 H ASN 19 4.283 16.340 -9.767 131 HA ASN 19 HA ASN 19 4.493 15.628 -7.049 132 HB2 ASN 19 HB2 ASN 19 4.205 18.387 -8.258 133 HB3 ASN 19 HB3 ASN 19 4.738 18.046 -6.615 134 HD21 ASN 19 HD21 ASN 19 6.138 19.411 -8.762 135 HD22 ASN 19 HD22 ASN 19 7.604 18.532 -9.011 136 H THR 20 H THR 20 2.624 14.684 -6.307 137 HA THR 20 HA THR 20 0.275 16.455 -5.965 138 HB THR 20 HB THR 20 -1.123 14.460 -5.803 139 HG1 THR 20 HG1 THR 20 1.051 12.809 -6.566 140 HG21 THR 20 HG21 THR 20 -0.766 15.384 -8.045 141 HG22 THR 20 HG22 THR 20 -0.946 13.629 -8.111 142 HG23 THR 20 HG23 THR 20 0.653 14.358 -8.253 143 HA PRO 21 HA PRO 21 0.694 16.287 -1.510 144 HB2 PRO 21 HB2 PRO 21 -2.200 15.543 -1.459 145 HB3 PRO 21 HB3 PRO 21 -1.356 16.844 -0.610 146 HG2 PRO 21 HG2 PRO 21 -2.876 17.393 -2.724 147 HG3 PRO 21 HG3 PRO 21 -1.331 18.230 -2.485 148 HD2 PRO 21 HD2 PRO 21 -2.005 16.000 -4.367 149 HD3 PRO 21 HD3 PRO 21 -0.959 17.414 -4.619 150 H PHE 22 H PHE 22 -0.773 13.639 -3.260 151 HA PHE 22 HA PHE 22 -0.562 11.754 -1.067 152 HB2 PHE 22 HB2 PHE 22 -1.151 11.206 -3.989 153 HB3 PHE 22 HB3 PHE 22 -1.443 10.124 -2.630 154 HD1 PHE 22 HD1 PHE 22 -3.029 11.073 -0.761 155 HD2 PHE 22 HD2 PHE 22 -2.905 12.511 -4.771 156 HE1 PHE 22 HE1 PHE 22 -5.294 12.003 -0.498 157 HE2 PHE 22 HE2 PHE 22 -5.163 13.445 -4.511 158 HZ PHE 22 HZ PHE 22 -6.362 13.190 -2.374 159 H GLY 23 H GLY 23 1.202 12.551 -4.022 160 HA2 GLY 23 HA2 GLY 23 2.966 10.391 -4.162 161 HA3 GLY 23 HA3 GLY 23 3.318 12.012 -4.736 162 H ILE 24 H ILE 24 3.070 13.201 -2.058 163 HA ILE 24 HA ILE 24 5.662 13.209 -1.136 164 HB ILE 24 HB ILE 24 3.203 13.534 0.605 165 HG12 ILE 24 HG12 ILE 24 3.057 14.974 -1.366 166 HG13 ILE 24 HG13 ILE 24 3.365 15.941 0.071 167 HG21 ILE 24 HG21 ILE 24 5.254 13.337 1.907 168 HG22 ILE 24 HG22 ILE 24 4.635 14.987 1.979 169 HG23 ILE 24 HG23 ILE 24 6.009 14.606 0.943 170 HD11 ILE 24 HD11 ILE 24 4.657 16.728 -1.826 171 HD12 ILE 24 HD12 ILE 24 5.409 15.141 -1.994 172 HD13 ILE 24 HD13 ILE 24 5.718 16.120 -0.557 173 H LEU 25 H LEU 25 3.026 11.049 -0.138 174 HA LEU 25 HA LEU 25 4.402 9.630 1.874 175 HB2 LEU 25 HB2 LEU 25 1.925 9.610 1.425 176 HB3 LEU 25 HB3 LEU 25 2.227 8.591 0.036 177 HG LEU 25 HG LEU 25 1.388 7.436 2.136 178 HD11 LEU 25 HD11 LEU 25 4.009 6.434 1.022 179 HD12 LEU 25 HD12 LEU 25 2.419 6.190 0.297 180 HD13 LEU 25 HD13 LEU 25 2.791 5.475 1.865 181 HD21 LEU 25 HD21 LEU 25 4.207 7.946 3.089 182 HD22 LEU 25 HD22 LEU 25 3.006 6.925 3.884 183 HD23 LEU 25 HD23 LEU 25 2.741 8.664 3.758 184 H ALA 26 H ALA 26 4.085 9.065 -1.616 185 HA ALA 26 HA ALA 26 5.512 6.652 -1.775 186 HB1 ALA 26 HB1 ALA 26 5.755 7.149 -4.157 187 HB2 ALA 26 HB2 ALA 26 5.252 8.815 -3.866 188 HB3 ALA 26 HB3 ALA 26 4.118 7.491 -3.595 189 H GLU 27 H GLU 27 6.666 10.026 -2.060 190 HA GLU 27 HA GLU 27 9.384 9.344 -2.526 191 HB2 GLU 27 HB2 GLU 27 8.447 11.591 -3.002 192 HB3 GLU 27 HB3 GLU 27 8.277 11.873 -1.273 193 HG2 GLU 27 HG2 GLU 27 10.720 11.667 -1.016 194 HG3 GLU 27 HG3 GLU 27 10.871 11.427 -2.755 195 H HIS 28 H HIS 28 7.498 9.775 0.429 196 HA HIS 28 HA HIS 28 9.712 9.804 2.216 197 HB2 HIS 28 HB2 HIS 28 7.410 10.635 2.777 198 HB3 HIS 28 HB3 HIS 28 6.881 8.957 2.864 199 HD1 HIS 28 HD1 HIS 28 9.482 11.203 4.490 200 HD2 HIS 28 HD2 HIS 28 7.170 7.861 5.353 201 HE1 HIS 28 HE1 HIS 28 9.916 10.693 6.905 202 HE2 HIS 28 HE2 HIS 28 8.374 8.789 7.451 203 H VAL 29 H VAL 29 7.506 7.156 1.203 204 HA VAL 29 HA VAL 29 8.909 5.148 2.665 205 HB VAL 29 HB VAL 29 7.714 3.491 1.314 206 HG11 VAL 29 HG11 VAL 29 5.419 4.151 1.886 207 HG12 VAL 29 HG12 VAL 29 5.961 5.811 2.137 208 HG13 VAL 29 HG13 VAL 29 6.548 4.523 3.190 209 HG21 VAL 29 HG21 VAL 29 6.769 5.848 -0.331 210 HG22 VAL 29 HG22 VAL 29 6.161 4.196 -0.470 211 HG23 VAL 29 HG23 VAL 29 7.839 4.555 -0.876 212 H SER 30 H SER 30 9.302 6.521 -0.549 213 HA SER 30 HA SER 30 11.235 4.762 -1.591 214 HB2 SER 30 HB2 SER 30 10.119 6.526 -2.925 215 HB3 SER 30 HB3 SER 30 11.003 7.758 -2.029 216 HG SER 30 HG SER 30 11.768 6.417 -4.191 217 H GLU 31 H GLU 31 11.444 7.193 0.860 218 HA GLU 31 HA GLU 31 14.295 7.502 0.828 219 HB2 GLU 31 HB2 GLU 31 12.624 9.198 1.671 220 HB3 GLU 31 HB3 GLU 31 12.342 8.151 3.054 221 HG2 GLU 31 HG2 GLU 31 13.844 9.962 3.623 222 HG3 GLU 31 HG3 GLU 31 14.672 8.410 3.734 223 H ASP 32 H ASP 32 12.139 5.150 2.155 224 HA ASP 32 HA ASP 32 14.198 4.216 4.061 225 HB2 ASP 32 HB2 ASP 32 11.995 5.006 5.006 226 HB3 ASP 32 HB3 ASP 32 11.227 3.651 4.186 227 H LYS 33 H LYS 33 13.052 3.454 1.062 228 HA LYS 33 HA LYS 33 12.691 0.611 1.310 229 HB2 LYS 33 HB2 LYS 33 12.730 0.604 -1.167 230 HB3 LYS 33 HB3 LYS 33 11.607 1.788 -0.509 231 HG2 LYS 33 HG2 LYS 33 13.057 3.593 -1.034 232 HG3 LYS 33 HG3 LYS 33 14.398 2.507 -1.398 233 HD2 LYS 33 HD2 LYS 33 11.849 2.325 -2.978 234 HD3 LYS 33 HD3 LYS 33 13.020 3.592 -3.344 235 HE2 LYS 33 HE2 LYS 33 13.392 1.670 -4.779 236 HE3 LYS 33 HE3 LYS 33 14.754 1.880 -3.687 237 HZ1 LYS 33 HZ1 LYS 33 14.085 -0.444 -3.909 238 HZ2 LYS 33 HZ2 LYS 33 12.552 -0.074 -3.304 239 HZ3 LYS 33 HZ3 LYS 33 13.913 0.095 -2.318 240 H ALA 34 H ALA 34 15.243 1.538 2.407 241 HA ALA 34 HA ALA 34 17.318 0.769 0.538 242 HB1 ALA 34 HB1 ALA 34 17.696 2.582 2.140 243 HB2 ALA 34 HB2 ALA 34 18.860 1.276 2.363 244 HB3 ALA 34 HB3 ALA 34 17.502 1.446 3.475 245 H PHE 35 H PHE 35 15.746 -0.644 3.381 246 HA PHE 35 HA PHE 35 17.293 -3.130 2.952 247 HB2 PHE 35 HB2 PHE 35 16.206 -2.094 5.584 248 HB3 PHE 35 HB3 PHE 35 17.156 -3.559 5.355 249 HD1 PHE 35 HD1 PHE 35 19.547 -3.369 4.656 250 HD2 PHE 35 HD2 PHE 35 17.245 0.024 5.812 251 HE1 PHE 35 HE1 PHE 35 21.616 -2.085 5.003 252 HE2 PHE 35 HE2 PHE 35 19.311 1.311 6.159 253 HZ PHE 35 HZ PHE 35 21.498 0.256 5.756 254 HA PRO 36 HA PRO 36 13.141 -4.866 2.363 255 HB2 PRO 36 HB2 PRO 36 13.972 -7.396 1.774 256 HB3 PRO 36 HB3 PRO 36 13.988 -6.080 0.594 257 HG2 PRO 36 HG2 PRO 36 16.244 -7.175 2.237 258 HG3 PRO 36 HG3 PRO 36 16.233 -6.698 0.529 259 HD2 PRO 36 HD2 PRO 36 17.237 -5.108 2.494 260 HD3 PRO 36 HD3 PRO 36 16.483 -4.457 1.024 261 H ARG 37 H ARG 37 12.729 -4.563 4.646 262 HA ARG 37 HA ARG 37 13.692 -6.332 6.656 263 HB2 ARG 37 HB2 ARG 37 11.258 -4.530 6.664 264 HB3 ARG 37 HB3 ARG 37 11.986 -5.263 8.086 265 HG2 ARG 37 HG2 ARG 37 13.587 -3.462 6.293 266 HG3 ARG 37 HG3 ARG 37 12.523 -2.800 7.535 267 HD2 ARG 37 HD2 ARG 37 14.719 -4.808 8.060 268 HD3 ARG 37 HD3 ARG 37 14.885 -3.064 8.274 269 HE ARG 37 HE ARG 37 12.642 -4.057 9.701 270 HH11 ARG 37 HH11 ARG 37 16.088 -3.970 9.859 271 HH12 ARG 37 HH12 ARG 37 16.106 -4.012 11.587 272 HH21 ARG 37 HH21 ARG 37 12.684 -4.076 11.884 273 HH22 ARG 37 HH22 ARG 37 14.196 -4.043 12.726 274 H LEU 38 H LEU 38 10.213 -5.940 6.173 275 HA LEU 38 HA LEU 38 9.852 -8.569 5.053 276 HB2 LEU 38 HB2 LEU 38 8.366 -9.402 6.853 277 HB3 LEU 38 HB3 LEU 38 10.037 -9.245 7.345 278 HG LEU 38 HG LEU 38 9.216 -6.922 8.309 279 HD11 LEU 38 HD11 LEU 38 6.661 -8.528 8.309 280 HD12 LEU 38 HD12 LEU 38 6.951 -7.041 7.407 281 HD13 LEU 38 HD13 LEU 38 6.934 -7.012 9.170 282 HD21 LEU 38 HD21 LEU 38 10.172 -8.727 9.634 283 HD22 LEU 38 HD22 LEU 38 8.620 -9.564 9.641 284 HD23 LEU 38 HD23 LEU 38 8.788 -8.010 10.462 285 H GLU 39 H GLU 39 9.252 -5.590 4.793 286 HA GLU 39 HA GLU 39 6.359 -5.416 4.828 287 HB2 GLU 39 HB2 GLU 39 8.605 -3.506 4.275 288 HB3 GLU 39 HB3 GLU 39 6.978 -3.095 3.764 289 HG2 GLU 39 HG2 GLU 39 7.543 -2.106 5.925 290 HG3 GLU 39 HG3 GLU 39 6.180 -3.217 6.039 291 H GLU 40 H GLU 40 8.233 -6.987 2.776 292 HA GLU 40 HA GLU 40 7.573 -5.970 0.218 293 HB2 GLU 40 HB2 GLU 40 8.185 -8.846 0.944 294 HB3 GLU 40 HB3 GLU 40 8.289 -8.131 -0.656 295 HG2 GLU 40 HG2 GLU 40 10.496 -8.217 0.023 296 HG3 GLU 40 HG3 GLU 40 10.039 -6.553 0.380 297 H ARG 41 H ARG 41 5.543 -7.271 2.505 298 HA ARG 41 HA ARG 41 3.632 -8.356 0.524 299 HB2 ARG 41 HB2 ARG 41 4.634 -9.521 2.823 300 HB3 ARG 41 HB3 ARG 41 3.113 -8.857 3.389 301 HG2 ARG 41 HG2 ARG 41 3.436 -10.767 1.077 302 HG3 ARG 41 HG3 ARG 41 2.935 -11.203 2.710 303 HD2 ARG 41 HD2 ARG 41 1.034 -9.494 2.348 304 HD3 ARG 41 HD3 ARG 41 1.446 -9.619 0.637 305 HE ARG 41 HE ARG 41 0.906 -12.085 2.110 306 HH11 ARG 41 HH11 ARG 41 -0.117 -9.796 -0.257 307 HH12 ARG 41 HH12 ARG 41 -1.393 -10.810 -0.832 308 HH21 ARG 41 HH21 ARG 41 -0.705 -13.371 1.364 309 HH22 ARG 41 HH22 ARG 41 -1.728 -12.820 0.079 310 H HIS 42 H HIS 42 1.855 -7.096 0.118 311 HA HIS 42 HA HIS 42 1.363 -4.606 1.233 312 HB2 HIS 42 HB2 HIS 42 -0.459 -6.540 -0.182 313 HB3 HIS 42 HB3 HIS 42 -1.074 -5.004 0.416 314 HD1 HIS 42 HD1 HIS 42 0.817 -6.510 -2.370 315 HD2 HIS 42 HD2 HIS 42 0.059 -2.705 -0.877 316 HE1 HIS 42 HE1 HIS 42 1.454 -4.927 -4.205 317 HE2 HIS 42 HE2 HIS 42 0.794 -2.660 -3.353 318 H GLN 43 H GLN 43 0.163 -7.725 2.322 319 HA GLN 43 HA GLN 43 -1.801 -7.023 4.129 320 HB2 GLN 43 HB2 GLN 43 -1.231 -9.333 3.507 321 HB3 GLN 43 HB3 GLN 43 0.280 -9.204 4.397 322 HG2 GLN 43 HG2 GLN 43 -1.017 -8.889 6.483 323 HG3 GLN 43 HG3 GLN 43 -2.501 -9.135 5.560 324 HE21 GLN 43 HE21 GLN 43 -3.067 -10.979 6.703 325 HE22 GLN 43 HE22 GLN 43 -2.222 -12.474 6.525 326 H VAL 44 H VAL 44 1.720 -7.238 4.780 327 HA VAL 44 HA VAL 44 1.377 -6.410 7.524 328 HB VAL 44 HB VAL 44 3.811 -6.495 7.706 329 HG11 VAL 44 HG11 VAL 44 4.131 -8.882 7.192 330 HG12 VAL 44 HG12 VAL 44 2.667 -8.861 6.207 331 HG13 VAL 44 HG13 VAL 44 2.564 -8.578 7.944 332 HG21 VAL 44 HG21 VAL 44 3.805 -7.071 4.739 333 HG22 VAL 44 HG22 VAL 44 5.212 -7.129 5.801 334 HG23 VAL 44 HG23 VAL 44 4.393 -5.594 5.504 335 H ILE 45 H ILE 45 2.087 -4.811 4.497 336 HA ILE 45 HA ILE 45 3.168 -2.398 5.427 337 HB ILE 45 HB ILE 45 1.341 -2.898 3.060 338 HG12 ILE 45 HG12 ILE 45 3.610 -3.992 3.063 339 HG13 ILE 45 HG13 ILE 45 3.344 -2.876 1.726 340 HG21 ILE 45 HG21 ILE 45 2.095 -0.698 2.210 341 HG22 ILE 45 HG22 ILE 45 2.904 -0.401 3.749 342 HG23 ILE 45 HG23 ILE 45 1.148 -0.561 3.692 343 HD11 ILE 45 HD11 ILE 45 4.635 -1.167 2.900 344 HD12 ILE 45 HD12 ILE 45 5.574 -2.637 2.647 345 HD13 ILE 45 HD13 ILE 45 4.898 -2.286 4.237 346 H ARG 46 H ARG 46 -0.244 -3.331 4.974 347 HA ARG 46 HA ARG 46 -1.491 -0.946 5.631 348 HB2 ARG 46 HB2 ARG 46 -2.585 -3.044 4.770 349 HB3 ARG 46 HB3 ARG 46 -2.500 -3.693 6.402 350 HG2 ARG 46 HG2 ARG 46 -3.901 -1.817 7.192 351 HG3 ARG 46 HG3 ARG 46 -4.030 -1.243 5.528 352 HD2 ARG 46 HD2 ARG 46 -5.020 -3.461 4.920 353 HD3 ARG 46 HD3 ARG 46 -5.023 -3.870 6.635 354 HE ARG 46 HE ARG 46 -6.426 -1.450 5.793 355 HH11 ARG 46 HH11 ARG 46 -6.592 -4.716 6.896 356 HH12 ARG 46 HH12 ARG 46 -8.274 -4.607 7.281 357 HH21 ARG 46 HH21 ARG 46 -8.578 -1.334 6.296 358 HH22 ARG 46 HH22 ARG 46 -9.380 -2.713 6.963 359 H ALA 47 H ALA 47 -0.423 -3.526 7.839 360 HA ALA 47 HA ALA 47 -1.280 -2.164 10.215 361 HB1 ALA 47 HB1 ALA 47 0.638 -4.475 9.887 362 HB2 ALA 47 HB2 ALA 47 -1.102 -4.596 10.153 363 HB3 ALA 47 HB3 ALA 47 -0.060 -3.927 11.411 364 H TYR 48 H TYR 48 1.800 -2.505 8.504 365 HA TYR 48 HA TYR 48 3.477 -1.353 10.439 366 HB2 TYR 48 HB2 TYR 48 4.335 -2.642 8.537 367 HB3 TYR 48 HB3 TYR 48 3.791 -1.391 7.423 368 HD1 TYR 48 HD1 TYR 48 5.984 -1.820 10.421 369 HD2 TYR 48 HD2 TYR 48 5.328 0.230 6.746 370 HE1 TYR 48 HE1 TYR 48 8.144 -0.683 10.675 371 HE2 TYR 48 HE2 TYR 48 7.490 1.375 6.994 372 HH TYR 48 HH TYR 48 9.103 1.938 8.598 373 H VAL 49 H VAL 49 1.764 0.168 7.694 374 HA VAL 49 HA VAL 49 2.831 2.753 8.069 375 HB VAL 49 HB VAL 49 0.964 3.591 6.701 376 HG11 VAL 49 HG11 VAL 49 1.454 2.285 4.680 377 HG12 VAL 49 HG12 VAL 49 2.182 1.023 5.674 378 HG13 VAL 49 HG13 VAL 49 2.914 2.627 5.607 379 HG21 VAL 49 HG21 VAL 49 -0.848 2.212 7.575 380 HG22 VAL 49 HG22 VAL 49 -0.106 0.767 6.890 381 HG23 VAL 49 HG23 VAL 49 -0.730 2.027 5.825 382 H MET 50 H MET 50 -0.082 1.220 9.424 383 HA MET 50 HA MET 50 -0.982 3.559 10.804 384 HB2 MET 50 HB2 MET 50 -1.586 0.633 11.320 385 HB3 MET 50 HB3 MET 50 -2.440 1.980 12.060 386 HG2 MET 50 HG2 MET 50 -3.154 2.718 9.811 387 HG3 MET 50 HG3 MET 50 -2.364 1.300 9.126 388 HE1 MET 50 HE1 MET 50 -3.017 -0.870 11.428 389 HE2 MET 50 HE2 MET 50 -3.109 -1.218 9.700 390 HE3 MET 50 HE3 MET 50 -4.468 -1.610 10.753 391 H SER 51 H SER 51 1.586 1.412 11.371 392 HA SER 51 HA SER 51 1.743 1.936 14.244 393 HB2 SER 51 HB2 SER 51 2.327 -0.306 13.455 394 HB3 SER 51 HB3 SER 51 3.566 0.363 12.395 395 HG SER 51 HG SER 51 4.306 1.286 14.627 396 H ASN 52 H ASN 52 2.561 3.658 11.538 397 HA ASN 52 HA ASN 52 4.734 5.084 12.936 398 HB2 ASN 52 HB2 ASN 52 4.740 4.222 10.029 399 HB3 ASN 52 HB3 ASN 52 5.854 5.414 10.688 400 HD21 ASN 52 HD21 ASN 52 4.920 2.054 10.716 401 HD22 ASN 52 HD22 ASN 52 6.374 1.464 11.430 402 H TYR 53 H TYR 53 2.543 5.291 10.109 403 HA TYR 53 HA TYR 53 2.564 8.189 10.203 404 HB2 TYR 53 HB2 TYR 53 0.899 6.375 8.444 405 HB3 TYR 53 HB3 TYR 53 1.210 8.089 8.197 406 HD1 TYR 53 HD1 TYR 53 3.918 8.593 8.259 407 HD2 TYR 53 HD2 TYR 53 2.049 4.975 7.016 408 HE1 TYR 53 HE1 TYR 53 5.894 8.043 6.904 409 HE2 TYR 53 HE2 TYR 53 4.021 4.415 5.660 410 HH TYR 53 HH TYR 53 6.977 5.918 5.985 411 H THR 54 H THR 54 0.817 9.518 10.684 412 HA THR 54 HA THR 54 -1.419 8.234 12.141 413 HB THR 54 HB THR 54 -1.532 10.271 13.553 414 HG1 THR 54 HG1 THR 54 -0.088 11.896 13.319 415 HG21 THR 54 HG21 THR 54 -0.239 8.305 14.317 416 HG22 THR 54 HG22 THR 54 0.442 9.820 14.915 417 HG23 THR 54 HG23 THR 54 1.207 8.979 13.568 418 H ASP 55 H ASP 55 -0.522 11.152 10.299 419 HA ASP 55 HA ASP 55 -2.982 12.372 10.133 420 HB2 ASP 55 HB2 ASP 55 -0.679 12.346 8.189 421 HB3 ASP 55 HB3 ASP 55 -2.116 13.330 7.921 422 H HIS 56 H HIS 56 -4.655 12.453 8.696 423 HA HIS 56 HA HIS 56 -5.855 10.065 8.052 424 HB2 HIS 56 HB2 HIS 56 -6.912 12.350 8.308 425 HB3 HIS 56 HB3 HIS 56 -6.419 12.691 6.655 426 HD1 HIS 56 HD1 HIS 56 -7.844 11.700 4.783 427 HD2 HIS 56 HD2 HIS 56 -8.981 10.431 8.573 428 HE1 HIS 56 HE1 HIS 56 -10.063 10.580 4.480 429 HE2 HIS 56 HE2 HIS 56 -10.809 9.995 6.804 430 H GLN 57 H GLN 57 -4.366 12.313 5.687 431 HA GLN 57 HA GLN 57 -4.948 10.807 3.395 432 HB2 GLN 57 HB2 GLN 57 -2.673 12.748 3.868 433 HB3 GLN 57 HB3 GLN 57 -3.190 12.168 2.290 434 HG2 GLN 57 HG2 GLN 57 -5.386 13.189 2.630 435 HG3 GLN 57 HG3 GLN 57 -4.873 13.763 4.214 436 HE21 GLN 57 HE21 GLN 57 -4.545 14.178 0.778 437 HE22 GLN 57 HE22 GLN 57 -3.775 15.722 0.844 438 H LEU 58 H LEU 58 -2.139 10.665 5.540 439 HA LEU 58 HA LEU 58 -0.430 9.137 3.939 440 HB2 LEU 58 HB2 LEU 58 -0.652 9.160 6.953 441 HB3 LEU 58 HB3 LEU 58 0.707 8.523 6.046 442 HG LEU 58 HG LEU 58 -0.170 11.420 6.110 443 HD11 LEU 58 HD11 LEU 58 0.852 10.684 8.205 444 HD12 LEU 58 HD12 LEU 58 1.894 11.812 7.341 445 HD13 LEU 58 HD13 LEU 58 2.255 10.084 7.317 446 HD21 LEU 58 HD21 LEU 58 1.883 11.866 4.853 447 HD22 LEU 58 HD22 LEU 58 0.787 10.825 3.947 448 HD23 LEU 58 HD23 LEU 58 2.200 10.134 4.747 449 H ILE 59 H ILE 59 -2.927 8.074 6.227 450 HA ILE 59 HA ILE 59 -2.372 5.264 5.727 451 HB ILE 59 HB ILE 59 -4.625 6.536 7.304 452 HG12 ILE 59 HG12 ILE 59 -2.453 7.096 8.270 453 HG13 ILE 59 HG13 ILE 59 -3.282 5.932 9.295 454 HG21 ILE 59 HG21 ILE 59 -3.648 3.675 7.247 455 HG22 ILE 59 HG22 ILE 59 -5.176 4.268 6.597 456 HG23 ILE 59 HG23 ILE 59 -4.881 4.319 8.334 457 HD11 ILE 59 HD11 ILE 59 -0.931 5.405 9.117 458 HD12 ILE 59 HD12 ILE 59 -1.056 5.326 7.360 459 HD13 ILE 59 HD13 ILE 59 -1.898 4.140 8.359 460 H GLU 60 H GLU 60 -4.859 7.629 4.889 461 HA GLU 60 HA GLU 60 -6.814 5.972 3.819 462 HB2 GLU 60 HB2 GLU 60 -7.209 8.310 4.286 463 HB3 GLU 60 HB3 GLU 60 -6.036 8.795 3.072 464 HG2 GLU 60 HG2 GLU 60 -7.460 7.964 1.302 465 HG3 GLU 60 HG3 GLU 60 -8.611 7.342 2.485 466 H THR 61 H THR 61 -4.221 7.658 1.993 467 HA THR 61 HA THR 61 -4.871 6.520 -0.514 468 HB THR 61 HB THR 61 -2.170 7.550 0.404 469 HG1 THR 61 HG1 THR 61 -4.391 8.874 -0.804 470 HG21 THR 61 HG21 THR 61 -1.760 7.971 -1.980 471 HG22 THR 61 HG22 THR 61 -3.312 7.237 -2.383 472 HG23 THR 61 HG23 THR 61 -2.028 6.255 -1.678 473 H THR 62 H THR 62 -2.520 5.546 1.965 474 HA THR 62 HA THR 62 -1.269 3.458 0.591 475 HB THR 62 HB THR 62 -1.758 3.772 3.563 476 HG1 THR 62 HG1 THR 62 -0.209 5.182 3.345 477 HG21 THR 62 HG21 THR 62 0.070 2.167 3.887 478 HG22 THR 62 HG22 THR 62 0.139 1.887 2.147 479 HG23 THR 62 HG23 THR 62 -1.297 1.422 3.060 480 H ASN 63 H ASN 63 -4.099 3.307 2.764 481 HA ASN 63 HA ASN 63 -4.448 0.561 2.863 482 HB2 ASN 63 HB2 ASN 63 -5.687 2.243 4.230 483 HB3 ASN 63 HB3 ASN 63 -6.664 2.630 2.820 484 HD21 ASN 63 HD21 ASN 63 -8.198 1.147 2.111 485 HD22 ASN 63 HD22 ASN 63 -8.712 -0.184 3.084 486 H ARG 64 H ARG 64 -5.454 2.805 0.347 487 HA ARG 64 HA ARG 64 -7.094 1.063 -1.151 488 HB2 ARG 64 HB2 ARG 64 -6.979 3.538 -1.429 489 HB3 ARG 64 HB3 ARG 64 -5.392 3.355 -2.161 490 HG2 ARG 64 HG2 ARG 64 -6.339 2.136 -4.021 491 HG3 ARG 64 HG3 ARG 64 -7.932 2.151 -3.260 492 HD2 ARG 64 HD2 ARG 64 -6.371 4.516 -4.305 493 HD3 ARG 64 HD3 ARG 64 -7.886 3.868 -4.937 494 HE ARG 64 HE ARG 64 -8.204 4.621 -2.229 495 HH11 ARG 64 HH11 ARG 64 -7.943 5.992 -5.394 496 HH12 ARG 64 HH12 ARG 64 -8.770 7.440 -4.933 497 HH21 ARG 64 HH21 ARG 64 -9.229 6.481 -1.670 498 HH22 ARG 64 HH22 ARG 64 -9.486 7.718 -2.859 499 H ALA 65 H ALA 65 -3.645 1.903 -1.527 500 HA ALA 65 HA ALA 65 -3.092 0.214 -3.707 501 HB1 ALA 65 HB1 ALA 65 -0.740 0.537 -3.144 502 HB2 ALA 65 HB2 ALA 65 -1.192 1.160 -1.556 503 HB3 ALA 65 HB3 ALA 65 -1.627 2.056 -3.012 504 H ILE 66 H ILE 66 -3.488 -0.512 -0.348 505 HA ILE 66 HA ILE 66 -2.122 -3.034 -0.351 506 HB ILE 66 HB ILE 66 -4.297 -2.058 1.520 507 HG12 ILE 66 HG12 ILE 66 -2.429 -0.506 1.542 508 HG13 ILE 66 HG13 ILE 66 -2.413 -1.450 3.027 509 HG21 ILE 66 HG21 ILE 66 -3.994 -4.470 1.640 510 HG22 ILE 66 HG22 ILE 66 -3.379 -3.698 3.102 511 HG23 ILE 66 HG23 ILE 66 -2.256 -4.259 1.863 512 HD11 ILE 66 HD11 ILE 66 -0.678 -1.964 0.624 513 HD12 ILE 66 HD12 ILE 66 -0.635 -2.837 2.157 514 HD13 ILE 66 HD13 ILE 66 -0.181 -1.133 2.097 515 H SER 67 H SER 67 -5.571 -2.145 -0.394 516 HA SER 67 HA SER 67 -6.574 -4.772 -0.580 517 HB2 SER 67 HB2 SER 67 -7.981 -2.933 0.174 518 HB3 SER 67 HB3 SER 67 -7.849 -2.146 -1.398 519 HG SER 67 HG SER 67 -9.173 -4.578 -0.762 520 H LEU 68 H LEU 68 -5.730 -2.430 -3.111 521 HA LEU 68 HA LEU 68 -6.955 -3.608 -5.302 522 HB2 LEU 68 HB2 LEU 68 -4.336 -2.115 -5.169 523 HB3 LEU 68 HB3 LEU 68 -5.155 -2.519 -6.668 524 HG LEU 68 HG LEU 68 -6.254 -0.729 -4.488 525 HD11 LEU 68 HD11 LEU 68 -5.208 -0.050 -7.234 526 HD12 LEU 68 HD12 LEU 68 -4.420 0.312 -5.698 527 HD13 LEU 68 HD13 LEU 68 -5.956 1.076 -6.101 528 HD21 LEU 68 HD21 LEU 68 -8.037 -1.945 -5.627 529 HD22 LEU 68 HD22 LEU 68 -7.408 -1.429 -7.194 530 HD23 LEU 68 HD23 LEU 68 -8.060 -0.238 -6.066 531 H TYR 69 H TYR 69 -3.472 -4.094 -4.496 532 HA TYR 69 HA TYR 69 -3.337 -6.312 -6.338 533 HB2 TYR 69 HB2 TYR 69 -1.333 -5.000 -4.523 534 HB3 TYR 69 HB3 TYR 69 -0.954 -6.511 -5.347 535 HD1 TYR 69 HD1 TYR 69 -1.314 -6.545 -7.919 536 HD2 TYR 69 HD2 TYR 69 -0.965 -2.960 -5.642 537 HE1 TYR 69 HE1 TYR 69 -0.711 -5.315 -9.959 538 HE2 TYR 69 HE2 TYR 69 -0.364 -1.722 -7.683 539 HH TYR 69 HH TYR 69 -0.835 -2.922 -10.770 540 H MET 70 H MET 70 -5.013 -6.479 -3.774 541 HA MET 70 HA MET 70 -4.151 -9.237 -3.194 542 HB2 MET 70 HB2 MET 70 -5.297 -7.270 -1.192 543 HB3 MET 70 HB3 MET 70 -5.066 -8.986 -0.883 544 HG2 MET 70 HG2 MET 70 -2.635 -8.677 -1.291 545 HG3 MET 70 HG3 MET 70 -2.923 -6.944 -1.440 546 HE1 MET 70 HE1 MET 70 -3.550 -9.370 2.441 547 HE2 MET 70 HE2 MET 70 -2.936 -10.055 0.936 548 HE3 MET 70 HE3 MET 70 -4.617 -9.528 1.047 549 H ALA 71 H ALA 71 -6.990 -7.177 -2.465 550 HA ALA 71 HA ALA 71 -8.850 -9.297 -2.757 551 HB1 ALA 71 HB1 ALA 71 -9.273 -7.345 -1.342 552 HB2 ALA 71 HB2 ALA 71 -10.565 -7.580 -2.521 553 HB3 ALA 71 HB3 ALA 71 -9.356 -6.320 -2.776 554 H ASN 72 H ASN 72 -7.972 -6.606 -4.937 555 HA ASN 72 HA ASN 72 -9.842 -7.260 -6.974 556 HB2 ASN 72 HB2 ASN 72 -8.643 -5.057 -6.691 557 HB3 ASN 72 HB3 ASN 72 -7.195 -5.829 -7.320 558 HD21 ASN 72 HD21 ASN 72 -8.742 -3.588 -8.357 559 HD22 ASN 72 HD22 ASN 72 -9.184 -4.031 -9.965 560 H LEU 73 H LEU 73 -6.468 -8.178 -6.418 561 HA LEU 73 HA LEU 73 -5.913 -9.573 -8.759 562 HB2 LEU 73 HB2 LEU 73 -4.362 -9.002 -6.816 563 HB3 LEU 73 HB3 LEU 73 -5.000 -10.412 -6.000 564 HG LEU 73 HG LEU 73 -2.776 -10.750 -7.096 565 HD11 LEU 73 HD11 LEU 73 -4.973 -12.510 -8.183 566 HD12 LEU 73 HD12 LEU 73 -4.208 -12.670 -6.603 567 HD13 LEU 73 HD13 LEU 73 -3.262 -12.923 -8.070 568 HD21 LEU 73 HD21 LEU 73 -3.118 -9.360 -9.065 569 HD22 LEU 73 HD22 LEU 73 -4.346 -10.481 -9.660 570 HD23 LEU 73 HD23 LEU 73 -2.666 -11.002 -9.521 571 H GLU 74 H GLU 74 -7.105 -10.993 -5.678 572 HA GLU 74 HA GLU 74 -7.642 -13.534 -6.803 573 HB2 GLU 74 HB2 GLU 74 -8.904 -13.981 -4.722 574 HB3 GLU 74 HB3 GLU 74 -7.307 -13.316 -4.419 575 HG2 GLU 74 HG2 GLU 74 -8.314 -11.108 -4.032 576 HG3 GLU 74 HG3 GLU 74 -9.911 -11.802 -4.306 577 H HIS 75 H HIS 75 -9.558 -10.596 -6.669 578 HA HIS 75 HA HIS 75 -12.076 -11.729 -7.284 579 HB2 HIS 75 HB2 HIS 75 -11.666 -9.330 -6.580 580 HB3 HIS 75 HB3 HIS 75 -11.100 -9.015 -8.218 581 HD1 HIS 75 HD1 HIS 75 -12.867 -8.558 -9.977 582 HD2 HIS 75 HD2 HIS 75 -14.470 -10.022 -6.428 583 HE1 HIS 75 HE1 HIS 75 -15.355 -8.382 -10.234 584 HE2 HIS 75 HE2 HIS 75 -16.305 -9.402 -8.141 585 H HIS 76 H HIS 76 -9.411 -10.630 -9.370 586 HA HIS 76 HA HIS 76 -10.659 -11.267 -11.840 587 HB2 HIS 76 HB2 HIS 76 -7.742 -11.035 -11.079 588 HB3 HIS 76 HB3 HIS 76 -8.282 -11.346 -12.724 589 HD1 HIS 76 HD1 HIS 76 -6.726 -8.764 -11.723 590 HD2 HIS 76 HD2 HIS 76 -10.799 -9.041 -12.486 591 HE1 HIS 76 HE1 HIS 76 -7.474 -6.426 -12.230 592 HE2 HIS 76 HE2 HIS 76 -9.964 -6.596 -12.533 593 H HIS 77 H HIS 77 -8.833 -13.192 -9.530 594 HA HIS 77 HA HIS 77 -8.454 -15.517 -11.042 595 HB2 HIS 77 HB2 HIS 77 -7.455 -15.175 -8.815 596 HB3 HIS 77 HB3 HIS 77 -9.045 -15.294 -8.074 597 HD1 HIS 77 HD1 HIS 77 -6.560 -17.426 -9.985 598 HD2 HIS 77 HD2 HIS 77 -9.812 -17.840 -7.432 599 HE1 HIS 77 HE1 HIS 77 -6.698 -19.875 -9.461 600 HE2 HIS 77 HE2 HIS 77 -8.551 -20.070 -7.773 601 H HIS 78 H HIS 78 -11.295 -14.353 -9.306 602 HA HIS 78 HA HIS 78 -12.899 -16.635 -10.170 603 HB2 HIS 78 HB2 HIS 78 -13.640 -14.123 -8.640 604 HB3 HIS 78 HB3 HIS 78 -14.783 -15.394 -9.062 605 HD1 HIS 78 HD1 HIS 78 -14.775 -17.511 -7.641 606 HD2 HIS 78 HD2 HIS 78 -11.783 -14.815 -6.605 607 HE1 HIS 78 HE1 HIS 78 -13.838 -18.345 -5.464 608 HE2 HIS 78 HE2 HIS 78 -12.119 -16.632 -4.801 609 H HIS 79 H HIS 79 -12.822 -16.425 -12.452 610 HA HIS 79 HA HIS 79 -13.522 -14.065 -13.852 611 HB2 HIS 79 HB2 HIS 79 -12.329 -16.013 -14.864 612 HB3 HIS 79 HB3 HIS 79 -13.832 -16.928 -14.806 613 HD1 HIS 79 HD1 HIS 79 -15.566 -16.447 -16.626 614 HD2 HIS 79 HD2 HIS 79 -12.276 -13.917 -16.786 615 HE1 HIS 79 HE1 HIS 79 -15.773 -15.216 -18.798 616 HE2 HIS 79 HE2 HIS 79 -13.890 -13.555 -18.774 617 H HIS 80 H HIS 80 -15.399 -16.318 -12.124 618 HA HIS 80 HA HIS 80 -17.755 -14.742 -12.414 619 HB2 HIS 80 HB2 HIS 80 -17.893 -16.080 -14.503 620 HB3 HIS 80 HB3 HIS 80 -17.859 -17.556 -13.543 621 HD1 HIS 80 HD1 HIS 80 -20.007 -18.208 -12.290 622 HD2 HIS 80 HD2 HIS 80 -20.325 -14.669 -14.442 623 HE1 HIS 80 HE1 HIS 80 -22.459 -17.663 -12.331 624 HE2 HIS 80 HE2 HIS 80 -22.600 -15.432 -13.482 Start of MODEL 19 1 H1 MET 1 H1 MET 1 18.215 -16.626 -2.820 2 H2 MET 1 H2 MET 1 19.575 -16.438 -1.833 3 H3 MET 1 H3 MET 1 18.679 -15.084 -2.302 4 HA MET 1 HA MET 1 17.749 -17.291 -0.553 5 HB2 MET 1 HB2 MET 1 19.347 -15.796 0.555 6 HB3 MET 1 HB3 MET 1 18.394 -14.396 0.077 7 HG2 MET 1 HG2 MET 1 18.052 -15.024 2.430 8 HG3 MET 1 HG3 MET 1 16.566 -15.103 1.486 9 HE1 MET 1 HE1 MET 1 19.462 -17.193 3.154 10 HE2 MET 1 HE2 MET 1 19.533 -17.698 1.466 11 HE3 MET 1 HE3 MET 1 19.003 -18.835 2.704 12 H ALA 2 H ALA 2 16.931 -13.971 -1.618 13 HA ALA 2 HA ALA 2 14.151 -14.815 -2.019 14 HB1 ALA 2 HB1 ALA 2 14.210 -13.950 0.255 15 HB2 ALA 2 HB2 ALA 2 13.301 -12.858 -0.790 16 HB3 ALA 2 HB3 ALA 2 14.950 -12.453 -0.312 17 H GLY 3 H GLY 3 12.938 -12.549 -2.722 18 HA2 GLY 3 HA2 GLY 3 14.644 -11.137 -4.663 19 HA3 GLY 3 HA3 GLY 3 13.199 -11.952 -5.243 20 H ASP 4 H ASP 4 13.838 -9.121 -5.371 21 HA ASP 4 HA ASP 4 11.955 -7.900 -3.487 22 HB2 ASP 4 HB2 ASP 4 12.843 -5.734 -4.571 23 HB3 ASP 4 HB3 ASP 4 13.946 -6.654 -3.554 24 HA PRO 5 HA PRO 5 9.065 -8.179 -7.004 25 HB2 PRO 5 HB2 PRO 5 6.789 -8.112 -5.559 26 HB3 PRO 5 HB3 PRO 5 7.782 -9.571 -5.670 27 HG2 PRO 5 HG2 PRO 5 7.648 -7.531 -3.472 28 HG3 PRO 5 HG3 PRO 5 7.701 -9.301 -3.352 29 HD2 PRO 5 HD2 PRO 5 9.896 -7.697 -3.015 30 HD3 PRO 5 HD3 PRO 5 9.987 -9.370 -3.598 31 H MET 6 H MET 6 9.188 -5.802 -4.419 32 HA MET 6 HA MET 6 8.594 -3.613 -4.247 33 HB2 MET 6 HB2 MET 6 9.044 -3.723 -7.238 34 HB3 MET 6 HB3 MET 6 8.893 -2.238 -6.306 35 HG2 MET 6 HG2 MET 6 11.033 -4.334 -5.956 36 HG3 MET 6 HG3 MET 6 11.228 -2.779 -6.762 37 HE1 MET 6 HE1 MET 6 9.629 -0.771 -4.941 38 HE2 MET 6 HE2 MET 6 11.257 -0.456 -5.542 39 HE3 MET 6 HE3 MET 6 10.888 -0.240 -3.830 40 H THR 7 H THR 7 6.425 -5.632 -4.838 41 HA THR 7 HA THR 7 4.498 -4.392 -6.555 42 HB THR 7 HB THR 7 2.935 -6.152 -5.674 43 HG1 THR 7 HG1 THR 7 4.197 -7.843 -4.436 44 HG21 THR 7 HG21 THR 7 4.154 -8.045 -6.688 45 HG22 THR 7 HG22 THR 7 5.637 -7.092 -6.658 46 HG23 THR 7 HG23 THR 7 4.278 -6.578 -7.660 47 H PHE 8 H PHE 8 5.414 -2.902 -4.043 48 HA PHE 8 HA PHE 8 2.686 -2.076 -3.272 49 HB2 PHE 8 HB2 PHE 8 3.838 -2.820 -1.280 50 HB3 PHE 8 HB3 PHE 8 5.263 -1.869 -1.687 51 HD1 PHE 8 HD1 PHE 8 1.647 -1.530 -0.865 52 HD2 PHE 8 HD2 PHE 8 5.500 0.293 -0.836 53 HE1 PHE 8 HE1 PHE 8 0.751 0.351 0.442 54 HE2 PHE 8 HE2 PHE 8 4.606 2.170 0.473 55 HZ PHE 8 HZ PHE 8 2.230 2.203 1.115 56 H TYR 9 H TYR 9 5.992 -0.726 -3.427 57 HA TYR 9 HA TYR 9 5.258 1.912 -4.057 58 HB2 TYR 9 HB2 TYR 9 7.493 1.338 -3.254 59 HB3 TYR 9 HB3 TYR 9 7.801 0.389 -4.702 60 HD1 TYR 9 HD1 TYR 9 7.145 3.865 -3.524 61 HD2 TYR 9 HD2 TYR 9 8.742 1.402 -6.613 62 HE1 TYR 9 HE1 TYR 9 8.091 5.855 -4.618 63 HE2 TYR 9 HE2 TYR 9 9.692 3.387 -7.708 64 HH TYR 9 HH TYR 9 10.011 6.354 -6.210 65 H ASN 10 H ASN 10 5.542 -0.940 -6.036 66 HA ASN 10 HA ASN 10 5.787 0.108 -8.594 67 HB2 ASN 10 HB2 ASN 10 5.886 -2.289 -8.063 68 HB3 ASN 10 HB3 ASN 10 4.159 -2.290 -7.713 69 HD21 ASN 10 HD21 ASN 10 2.705 -2.218 -9.403 70 HD22 ASN 10 HD22 ASN 10 3.177 -2.491 -11.040 71 H PHE 11 H PHE 11 2.850 -0.258 -6.633 72 HA PHE 11 HA PHE 11 1.017 0.597 -8.623 73 HB2 PHE 11 HB2 PHE 11 0.278 -0.644 -6.648 74 HB3 PHE 11 HB3 PHE 11 0.788 0.673 -5.599 75 HD1 PHE 11 HD1 PHE 11 -1.691 -0.395 -8.108 76 HD2 PHE 11 HD2 PHE 11 -0.584 2.625 -5.312 77 HE1 PHE 11 HE1 PHE 11 -3.925 0.614 -8.311 78 HE2 PHE 11 HE2 PHE 11 -2.818 3.634 -5.514 79 HZ PHE 11 HZ PHE 11 -4.490 2.630 -7.015 80 H ILE 12 H ILE 12 2.528 2.321 -5.903 81 HA ILE 12 HA ILE 12 1.245 4.805 -6.640 82 HB ILE 12 HB ILE 12 1.687 3.965 -4.257 83 HG12 ILE 12 HG12 ILE 12 2.061 6.275 -3.396 84 HG13 ILE 12 HG13 ILE 12 2.486 6.785 -5.026 85 HG21 ILE 12 HG21 ILE 12 4.441 5.054 -4.848 86 HG22 ILE 12 HG22 ILE 12 4.030 3.370 -4.518 87 HG23 ILE 12 HG23 ILE 12 3.838 4.589 -3.257 88 HD11 ILE 12 HD11 ILE 12 -0.184 5.705 -4.154 89 HD12 ILE 12 HD12 ILE 12 0.240 6.218 -5.788 90 HD13 ILE 12 HD13 ILE 12 0.208 7.395 -4.475 91 H MET 13 H MET 13 3.969 3.249 -7.752 92 HA MET 13 HA MET 13 5.898 5.260 -8.012 93 HB2 MET 13 HB2 MET 13 6.106 2.768 -8.572 94 HB3 MET 13 HB3 MET 13 5.351 3.149 -10.112 95 HG2 MET 13 HG2 MET 13 7.919 4.363 -9.102 96 HG3 MET 13 HG3 MET 13 7.814 3.008 -10.223 97 HE1 MET 13 HE1 MET 13 9.464 4.434 -11.840 98 HE2 MET 13 HE2 MET 13 9.436 5.769 -10.686 99 HE3 MET 13 HE3 MET 13 9.088 6.068 -12.388 100 H GLY 14 H GLY 14 6.328 6.782 -9.671 101 HA2 GLY 14 HA2 GLY 14 5.741 8.075 -11.579 102 HA3 GLY 14 HA3 GLY 14 4.134 7.361 -11.543 103 H PHE 15 H PHE 15 3.495 7.785 -8.841 104 HA PHE 15 HA PHE 15 2.758 10.539 -8.804 105 HB2 PHE 15 HB2 PHE 15 2.604 8.389 -6.677 106 HB3 PHE 15 HB3 PHE 15 1.953 10.009 -6.467 107 HD1 PHE 15 HD1 PHE 15 1.585 6.835 -8.290 108 HD2 PHE 15 HD2 PHE 15 -0.082 10.680 -7.533 109 HE1 PHE 15 HE1 PHE 15 -0.518 6.129 -9.354 110 HE2 PHE 15 HE2 PHE 15 -2.188 9.979 -8.592 111 HZ PHE 15 HZ PHE 15 -2.409 7.701 -9.506 112 H GLN 16 H GLN 16 5.496 8.783 -7.609 113 HA GLN 16 HA GLN 16 6.497 10.754 -5.799 114 HB2 GLN 16 HB2 GLN 16 7.172 8.243 -6.137 115 HB3 GLN 16 HB3 GLN 16 8.250 8.865 -7.376 116 HG2 GLN 16 HG2 GLN 16 8.293 9.732 -4.485 117 HG3 GLN 16 HG3 GLN 16 9.315 8.469 -5.162 118 HE21 GLN 16 HE21 GLN 16 8.754 11.884 -4.948 119 HE22 GLN 16 HE22 GLN 16 10.241 12.369 -5.679 120 H ASN 17 H ASN 17 5.848 12.548 -7.302 121 HA ASN 17 HA ASN 17 7.884 13.845 -8.664 122 HB2 ASN 17 HB2 ASN 17 7.876 12.068 -10.307 123 HB3 ASN 17 HB3 ASN 17 6.127 12.151 -10.468 124 HD21 ASN 17 HD21 ASN 17 5.218 13.769 -11.704 125 HD22 ASN 17 HD22 ASN 17 6.153 14.770 -12.758 126 H ASP 18 H ASP 18 4.412 13.128 -8.765 127 HA ASP 18 HA ASP 18 3.773 15.921 -9.366 128 HB2 ASP 18 HB2 ASP 18 2.039 13.446 -9.225 129 HB3 ASP 18 HB3 ASP 18 1.442 15.058 -9.617 130 H ASN 19 H ASN 19 2.528 17.234 -8.060 131 HA ASN 19 HA ASN 19 2.716 16.695 -5.224 132 HB2 ASN 19 HB2 ASN 19 1.574 19.099 -6.673 133 HB3 ASN 19 HB3 ASN 19 1.964 19.008 -4.957 134 HD21 ASN 19 HD21 ASN 19 2.981 20.760 -7.094 135 HD22 ASN 19 HD22 ASN 19 4.696 20.565 -7.070 136 H THR 20 H THR 20 1.207 14.899 -5.161 137 HA THR 20 HA THR 20 -1.584 15.829 -4.840 138 HB THR 20 HB THR 20 -2.447 13.699 -5.673 139 HG1 THR 20 HG1 THR 20 -0.382 12.598 -6.891 140 HG21 THR 20 HG21 THR 20 -0.501 14.946 -7.628 141 HG22 THR 20 HG22 THR 20 -2.165 15.455 -7.341 142 HG23 THR 20 HG23 THR 20 -1.836 13.878 -8.060 143 HA PRO 21 HA PRO 21 -1.610 13.903 -0.771 144 HB2 PRO 21 HB2 PRO 21 -4.011 12.384 -1.732 145 HB3 PRO 21 HB3 PRO 21 -3.789 13.308 -0.239 146 HG2 PRO 21 HG2 PRO 21 -5.199 14.339 -2.233 147 HG3 PRO 21 HG3 PRO 21 -4.078 15.359 -1.312 148 HD2 PRO 21 HD2 PRO 21 -3.759 14.187 -4.047 149 HD3 PRO 21 HD3 PRO 21 -3.234 15.767 -3.432 150 H PHE 22 H PHE 22 -2.022 11.861 -3.610 151 HA PHE 22 HA PHE 22 -1.057 9.468 -2.314 152 HB2 PHE 22 HB2 PHE 22 -1.498 10.091 -5.249 153 HB3 PHE 22 HB3 PHE 22 -1.125 8.499 -4.596 154 HD1 PHE 22 HD1 PHE 22 -3.693 11.119 -4.864 155 HD2 PHE 22 HD2 PHE 22 -2.805 7.193 -3.449 156 HE1 PHE 22 HE1 PHE 22 -6.092 10.703 -4.514 157 HE2 PHE 22 HE2 PHE 22 -5.207 6.777 -3.098 158 HZ PHE 22 HZ PHE 22 -6.852 8.530 -3.629 159 H GLY 23 H GLY 23 0.259 11.960 -4.466 160 HA2 GLY 23 HA2 GLY 23 2.795 10.839 -4.936 161 HA3 GLY 23 HA3 GLY 23 2.416 12.554 -4.980 162 H ILE 24 H ILE 24 1.620 12.832 -2.261 163 HA ILE 24 HA ILE 24 3.994 13.338 -0.909 164 HB ILE 24 HB ILE 24 1.300 12.685 0.318 165 HG12 ILE 24 HG12 ILE 24 2.512 15.361 -0.436 166 HG13 ILE 24 HG13 ILE 24 1.218 14.547 -1.309 167 HG21 ILE 24 HG21 ILE 24 2.095 13.996 2.258 168 HG22 ILE 24 HG22 ILE 24 3.685 14.118 1.504 169 HG23 ILE 24 HG23 ILE 24 3.057 12.543 1.988 170 HD11 ILE 24 HD11 ILE 24 -0.214 14.731 0.670 171 HD12 ILE 24 HD12 ILE 24 0.331 16.303 0.086 172 HD13 ILE 24 HD13 ILE 24 1.080 15.587 1.512 173 H LEU 25 H LEU 25 1.831 10.538 -0.562 174 HA LEU 25 HA LEU 25 3.382 9.093 1.288 175 HB2 LEU 25 HB2 LEU 25 0.979 8.691 0.747 176 HB3 LEU 25 HB3 LEU 25 1.462 8.018 -0.794 177 HG LEU 25 HG LEU 25 0.842 6.374 1.057 178 HD11 LEU 25 HD11 LEU 25 3.568 6.024 -0.186 179 HD12 LEU 25 HD12 LEU 25 2.032 5.704 -0.990 180 HD13 LEU 25 HD13 LEU 25 2.506 4.749 0.414 181 HD21 LEU 25 HD21 LEU 25 3.570 7.138 2.103 182 HD22 LEU 25 HD22 LEU 25 2.551 5.824 2.697 183 HD23 LEU 25 HD23 LEU 25 2.029 7.498 2.882 184 H ALA 26 H ALA 26 3.172 8.780 -2.270 185 HA ALA 26 HA ALA 26 5.033 6.786 -2.714 186 HB1 ALA 26 HB1 ALA 26 3.623 7.804 -4.463 187 HB2 ALA 26 HB2 ALA 26 5.315 7.701 -4.948 188 HB3 ALA 26 HB3 ALA 26 4.637 9.245 -4.426 189 H GLU 27 H GLU 27 5.628 10.247 -2.294 190 HA GLU 27 HA GLU 27 8.432 10.139 -2.764 191 HB2 GLU 27 HB2 GLU 27 7.054 12.179 -3.007 192 HB3 GLU 27 HB3 GLU 27 6.795 12.202 -1.269 193 HG2 GLU 27 HG2 GLU 27 9.209 12.517 -0.923 194 HG3 GLU 27 HG3 GLU 27 9.447 12.521 -2.671 195 H HIS 28 H HIS 28 6.452 9.971 0.168 196 HA HIS 28 HA HIS 28 8.690 10.226 1.943 197 HB2 HIS 28 HB2 HIS 28 6.279 10.877 2.459 198 HB3 HIS 28 HB3 HIS 28 5.970 9.161 2.704 199 HD1 HIS 28 HD1 HIS 28 7.246 8.021 4.737 200 HD2 HIS 28 HD2 HIS 28 7.526 12.164 4.556 201 HE1 HIS 28 HE1 HIS 28 8.107 8.741 6.983 202 HE2 HIS 28 HE2 HIS 28 8.390 11.233 6.804 203 H VAL 29 H VAL 29 6.971 7.468 0.549 204 HA VAL 29 HA VAL 29 8.240 5.546 2.285 205 HB VAL 29 HB VAL 29 7.344 3.820 0.791 206 HG11 VAL 29 HG11 VAL 29 4.958 4.301 1.109 207 HG12 VAL 29 HG12 VAL 29 5.349 5.985 1.456 208 HG13 VAL 29 HG13 VAL 29 5.908 4.708 2.539 209 HG21 VAL 29 HG21 VAL 29 6.401 6.119 -0.931 210 HG22 VAL 29 HG22 VAL 29 5.950 4.429 -1.145 211 HG23 VAL 29 HG23 VAL 29 7.628 4.929 -1.361 212 H SER 30 H SER 30 9.130 7.150 -0.641 213 HA SER 30 HA SER 30 11.395 5.320 -1.088 214 HB2 SER 30 HB2 SER 30 10.057 6.027 -3.060 215 HB3 SER 30 HB3 SER 30 10.487 7.706 -2.733 216 HG SER 30 HG SER 30 12.713 7.032 -2.994 217 H GLU 31 H GLU 31 11.064 7.279 1.173 218 HA GLU 31 HA GLU 31 12.907 9.426 0.748 219 HB2 GLU 31 HB2 GLU 31 11.023 9.613 2.308 220 HB3 GLU 31 HB3 GLU 31 11.704 8.335 3.303 221 HG2 GLU 31 HG2 GLU 31 13.620 9.739 3.832 222 HG3 GLU 31 HG3 GLU 31 12.988 11.013 2.794 223 H ASP 32 H ASP 32 13.154 6.222 2.239 224 HA ASP 32 HA ASP 32 15.973 6.789 2.919 225 HB2 ASP 32 HB2 ASP 32 14.218 6.121 4.729 226 HB3 ASP 32 HB3 ASP 32 14.394 4.495 4.081 227 H LYS 33 H LYS 33 16.896 4.191 3.248 228 HA LYS 33 HA LYS 33 17.858 3.477 0.789 229 HB2 LYS 33 HB2 LYS 33 17.467 1.807 3.274 230 HB3 LYS 33 HB3 LYS 33 18.394 1.261 1.881 231 HG2 LYS 33 HG2 LYS 33 19.987 3.044 2.163 232 HG3 LYS 33 HG3 LYS 33 19.014 3.766 3.446 233 HD2 LYS 33 HD2 LYS 33 20.166 0.980 3.629 234 HD3 LYS 33 HD3 LYS 33 21.025 2.413 4.197 235 HE2 LYS 33 HE2 LYS 33 18.318 1.475 5.154 236 HE3 LYS 33 HE3 LYS 33 19.839 1.284 6.022 237 HZ1 LYS 33 HZ1 LYS 33 18.671 3.166 6.893 238 HZ2 LYS 33 HZ2 LYS 33 18.486 3.843 5.356 239 HZ3 LYS 33 HZ3 LYS 33 20.022 3.736 6.049 240 H ALA 34 H ALA 34 14.925 2.216 2.324 241 HA ALA 34 HA ALA 34 13.081 1.213 1.462 242 HB1 ALA 34 HB1 ALA 34 12.594 1.419 -0.912 243 HB2 ALA 34 HB2 ALA 34 14.268 1.881 -1.228 244 HB3 ALA 34 HB3 ALA 34 13.229 2.936 -0.270 245 H PHE 35 H PHE 35 15.696 -0.327 1.829 246 HA PHE 35 HA PHE 35 15.493 -2.528 -0.021 247 HB2 PHE 35 HB2 PHE 35 17.019 -2.191 2.574 248 HB3 PHE 35 HB3 PHE 35 17.052 -3.678 1.634 249 HD1 PHE 35 HD1 PHE 35 17.760 -3.443 -0.858 250 HD2 PHE 35 HD2 PHE 35 18.586 -0.532 2.139 251 HE1 PHE 35 HE1 PHE 35 19.590 -2.547 -2.237 252 HE2 PHE 35 HE2 PHE 35 20.417 0.368 0.765 253 HZ PHE 35 HZ PHE 35 20.922 -0.639 -1.422 254 HA PRO 36 HA PRO 36 12.109 -4.607 1.967 255 HB2 PRO 36 HB2 PRO 36 12.432 -7.103 0.930 256 HB3 PRO 36 HB3 PRO 36 11.828 -5.739 -0.020 257 HG2 PRO 36 HG2 PRO 36 14.605 -6.872 0.110 258 HG3 PRO 36 HG3 PRO 36 13.667 -6.383 -1.314 259 HD2 PRO 36 HD2 PRO 36 15.576 -4.804 -0.232 260 HD3 PRO 36 HD3 PRO 36 14.119 -4.132 -0.993 261 H ARG 37 H ARG 37 11.665 -5.863 3.765 262 HA ARG 37 HA ARG 37 13.995 -7.032 5.154 263 HB2 ARG 37 HB2 ARG 37 11.354 -6.053 6.264 264 HB3 ARG 37 HB3 ARG 37 12.656 -6.745 7.221 265 HG2 ARG 37 HG2 ARG 37 12.908 -4.228 5.574 266 HG3 ARG 37 HG3 ARG 37 12.544 -4.267 7.301 267 HD2 ARG 37 HD2 ARG 37 15.037 -5.340 5.975 268 HD3 ARG 37 HD3 ARG 37 14.919 -3.864 6.934 269 HE ARG 37 HE ARG 37 14.019 -6.052 8.465 270 HH11 ARG 37 HH11 ARG 37 16.937 -4.743 7.188 271 HH12 ARG 37 HH12 ARG 37 17.914 -5.425 8.440 272 HH21 ARG 37 HH21 ARG 37 15.283 -6.906 10.064 273 HH22 ARG 37 HH22 ARG 37 16.991 -6.628 10.044 274 H LEU 38 H LEU 38 10.462 -7.585 5.115 275 HA LEU 38 HA LEU 38 10.788 -10.396 4.463 276 HB2 LEU 38 HB2 LEU 38 11.255 -10.285 6.892 277 HB3 LEU 38 HB3 LEU 38 9.689 -9.552 7.159 278 HG LEU 38 HG LEU 38 9.678 -12.221 5.834 279 HD11 LEU 38 HD11 LEU 38 9.943 -13.408 7.962 280 HD12 LEU 38 HD12 LEU 38 10.359 -11.892 8.762 281 HD13 LEU 38 HD13 LEU 38 11.416 -12.551 7.513 282 HD21 LEU 38 HD21 LEU 38 8.043 -10.992 8.063 283 HD22 LEU 38 HD22 LEU 38 7.745 -12.562 7.314 284 HD23 LEU 38 HD23 LEU 38 7.584 -11.087 6.363 285 H GLU 39 H GLU 39 9.190 -7.632 4.071 286 HA GLU 39 HA GLU 39 6.454 -8.350 4.515 287 HB2 GLU 39 HB2 GLU 39 7.625 -5.992 3.017 288 HB3 GLU 39 HB3 GLU 39 5.948 -6.156 3.515 289 HG2 GLU 39 HG2 GLU 39 7.083 -4.676 5.028 290 HG3 GLU 39 HG3 GLU 39 6.672 -6.164 5.875 291 H GLU 40 H GLU 40 6.255 -10.267 3.211 292 HA GLU 40 HA GLU 40 6.319 -9.964 0.314 293 HB2 GLU 40 HB2 GLU 40 7.044 -12.064 1.539 294 HB3 GLU 40 HB3 GLU 40 5.354 -12.345 1.922 295 HG2 GLU 40 HG2 GLU 40 6.212 -12.007 -0.930 296 HG3 GLU 40 HG3 GLU 40 6.466 -13.542 -0.109 297 H ARG 41 H ARG 41 3.870 -10.804 2.773 298 HA ARG 41 HA ARG 41 1.660 -10.387 0.993 299 HB2 ARG 41 HB2 ARG 41 1.757 -10.651 4.006 300 HB3 ARG 41 HB3 ARG 41 0.279 -10.612 3.052 301 HG2 ARG 41 HG2 ARG 41 2.449 -12.705 2.878 302 HG3 ARG 41 HG3 ARG 41 0.872 -12.894 3.651 303 HD2 ARG 41 HD2 ARG 41 -0.212 -12.492 1.460 304 HD3 ARG 41 HD3 ARG 41 1.383 -12.388 0.713 305 HE ARG 41 HE ARG 41 1.077 -14.832 2.115 306 HH11 ARG 41 HH11 ARG 41 0.123 -13.249 -0.797 307 HH12 ARG 41 HH12 ARG 41 -0.042 -14.735 -1.667 308 HH21 ARG 41 HH21 ARG 41 0.832 -16.724 0.980 309 HH22 ARG 41 HH22 ARG 41 0.342 -16.663 -0.680 310 H HIS 42 H HIS 42 0.040 -8.723 1.175 311 HA HIS 42 HA HIS 42 1.356 -6.142 1.599 312 HB2 HIS 42 HB2 HIS 42 -1.081 -6.918 -0.008 313 HB3 HIS 42 HB3 HIS 42 -0.483 -5.267 0.139 314 HD1 HIS 42 HD1 HIS 42 0.534 -8.636 -1.243 315 HD2 HIS 42 HD2 HIS 42 1.626 -4.632 -1.521 316 HE1 HIS 42 HE1 HIS 42 2.215 -8.519 -3.101 317 HE2 HIS 42 HE2 HIS 42 2.888 -6.103 -3.228 318 H GLN 43 H GLN 43 -1.167 -7.998 3.072 319 HA GLN 43 HA GLN 43 -2.850 -5.860 3.906 320 HB2 GLN 43 HB2 GLN 43 -3.178 -8.514 3.905 321 HB3 GLN 43 HB3 GLN 43 -2.648 -8.341 5.568 322 HG2 GLN 43 HG2 GLN 43 -5.047 -7.018 4.304 323 HG3 GLN 43 HG3 GLN 43 -5.063 -8.367 5.433 324 HE21 GLN 43 HE21 GLN 43 -4.523 -7.968 7.618 325 HE22 GLN 43 HE22 GLN 43 -4.632 -6.380 8.290 326 H VAL 44 H VAL 44 -0.119 -7.520 5.468 327 HA VAL 44 HA VAL 44 -0.225 -6.334 7.988 328 HB VAL 44 HB VAL 44 2.214 -6.782 8.160 329 HG11 VAL 44 HG11 VAL 44 2.055 -9.223 7.869 330 HG12 VAL 44 HG12 VAL 44 0.564 -9.006 6.952 331 HG13 VAL 44 HG13 VAL 44 0.625 -8.552 8.655 332 HG21 VAL 44 HG21 VAL 44 3.394 -7.842 6.297 333 HG22 VAL 44 HG22 VAL 44 2.843 -6.228 5.845 334 HG23 VAL 44 HG23 VAL 44 1.973 -7.651 5.269 335 H ILE 45 H ILE 45 0.770 -4.912 4.974 336 HA ILE 45 HA ILE 45 2.384 -2.810 5.960 337 HB ILE 45 HB ILE 45 0.651 -2.782 3.476 338 HG12 ILE 45 HG12 ILE 45 2.115 -4.752 3.495 339 HG13 ILE 45 HG13 ILE 45 2.654 -3.598 2.283 340 HG21 ILE 45 HG21 ILE 45 2.333 -1.175 2.625 341 HG22 ILE 45 HG22 ILE 45 3.105 -1.177 4.211 342 HG23 ILE 45 HG23 ILE 45 1.459 -0.569 4.033 343 HD11 ILE 45 HD11 ILE 45 4.431 -2.849 3.774 344 HD12 ILE 45 HD12 ILE 45 4.523 -4.585 3.484 345 HD13 ILE 45 HD13 ILE 45 3.877 -3.981 5.009 346 H ARG 46 H ARG 46 -1.085 -3.224 5.734 347 HA ARG 46 HA ARG 46 -1.947 -0.577 6.076 348 HB2 ARG 46 HB2 ARG 46 -3.555 -2.213 5.450 349 HB3 ARG 46 HB3 ARG 46 -3.176 -3.233 6.830 350 HG2 ARG 46 HG2 ARG 46 -4.231 -1.698 8.338 351 HG3 ARG 46 HG3 ARG 46 -4.448 -0.508 7.055 352 HD2 ARG 46 HD2 ARG 46 -5.678 -3.258 6.947 353 HD3 ARG 46 HD3 ARG 46 -6.487 -1.883 7.695 354 HE ARG 46 HE ARG 46 -6.364 -0.788 5.481 355 HH11 ARG 46 HH11 ARG 46 -6.055 -4.219 5.609 356 HH12 ARG 46 HH12 ARG 46 -6.731 -4.445 4.035 357 HH21 ARG 46 HH21 ARG 46 -7.210 -1.098 3.447 358 HH22 ARG 46 HH22 ARG 46 -7.374 -2.705 2.829 359 H ALA 47 H ALA 47 -1.202 -3.054 8.525 360 HA ALA 47 HA ALA 47 -1.737 -1.352 10.759 361 HB1 ALA 47 HB1 ALA 47 -0.142 -3.915 10.633 362 HB2 ALA 47 HB2 ALA 47 -1.870 -3.780 10.964 363 HB3 ALA 47 HB3 ALA 47 -0.698 -3.120 12.106 364 H TYR 48 H TYR 48 1.153 -2.165 8.916 365 HA TYR 48 HA TYR 48 3.179 -1.298 10.570 366 HB2 TYR 48 HB2 TYR 48 3.525 -2.428 8.406 367 HB3 TYR 48 HB3 TYR 48 3.011 -0.976 7.560 368 HD1 TYR 48 HD1 TYR 48 5.632 -2.308 9.838 369 HD2 TYR 48 HD2 TYR 48 4.578 0.712 7.026 370 HE1 TYR 48 HE1 TYR 48 7.955 -1.515 9.825 371 HE2 TYR 48 HE2 TYR 48 6.904 1.513 7.008 372 HH TYR 48 HH TYR 48 9.469 -0.267 8.359 373 H VAL 49 H VAL 49 1.423 0.722 8.194 374 HA VAL 49 HA VAL 49 2.823 3.103 8.941 375 HB VAL 49 HB VAL 49 1.189 4.298 7.516 376 HG11 VAL 49 HG11 VAL 49 3.193 3.373 6.522 377 HG12 VAL 49 HG12 VAL 49 1.842 3.201 5.402 378 HG13 VAL 49 HG13 VAL 49 2.408 1.805 6.321 379 HG21 VAL 49 HG21 VAL 49 -0.796 2.937 7.971 380 HG22 VAL 49 HG22 VAL 49 -0.056 1.562 7.150 381 HG23 VAL 49 HG23 VAL 49 -0.474 3.015 6.239 382 H MET 50 H MET 50 -0.110 1.596 10.114 383 HA MET 50 HA MET 50 -1.289 3.867 11.326 384 HB2 MET 50 HB2 MET 50 -1.450 0.936 12.049 385 HB3 MET 50 HB3 MET 50 -2.423 2.180 12.819 386 HG2 MET 50 HG2 MET 50 -3.442 2.724 10.661 387 HG3 MET 50 HG3 MET 50 -2.463 1.476 9.887 388 HE1 MET 50 HE1 MET 50 -4.079 1.269 13.453 389 HE2 MET 50 HE2 MET 50 -5.647 0.540 13.101 390 HE3 MET 50 HE3 MET 50 -5.292 2.175 12.548 391 H SER 51 H SER 51 1.454 1.978 12.208 392 HA SER 51 HA SER 51 1.509 3.019 14.947 393 HB2 SER 51 HB2 SER 51 2.047 0.663 14.696 394 HB3 SER 51 HB3 SER 51 3.307 1.037 13.519 395 HG SER 51 HG SER 51 3.710 0.740 16.011 396 H ASN 52 H ASN 52 3.103 3.499 11.864 397 HA ASN 52 HA ASN 52 5.250 5.055 13.111 398 HB2 ASN 52 HB2 ASN 52 4.884 4.035 10.289 399 HB3 ASN 52 HB3 ASN 52 6.231 5.055 10.788 400 HD21 ASN 52 HD21 ASN 52 6.222 2.313 9.770 401 HD22 ASN 52 HD22 ASN 52 7.024 1.371 10.971 402 H TYR 53 H TYR 53 2.647 5.509 10.710 403 HA TYR 53 HA TYR 53 3.476 8.293 10.352 404 HB2 TYR 53 HB2 TYR 53 1.551 6.548 8.813 405 HB3 TYR 53 HB3 TYR 53 1.767 8.264 8.487 406 HD1 TYR 53 HD1 TYR 53 4.903 7.880 9.255 407 HD2 TYR 53 HD2 TYR 53 2.221 6.151 6.425 408 HE1 TYR 53 HE1 TYR 53 6.792 7.401 7.765 409 HE2 TYR 53 HE2 TYR 53 4.115 5.664 4.932 410 HH TYR 53 HH TYR 53 7.285 5.719 5.888 411 H THR 54 H THR 54 2.231 10.052 10.756 412 HA THR 54 HA THR 54 -0.231 9.663 12.344 413 HB THR 54 HB THR 54 0.154 11.983 13.167 414 HG1 THR 54 HG1 THR 54 2.319 12.839 12.724 415 HG21 THR 54 HG21 THR 54 1.002 10.084 14.476 416 HG22 THR 54 HG22 THR 54 2.064 11.486 14.619 417 HG23 THR 54 HG23 THR 54 2.518 10.139 13.574 418 H ASP 55 H ASP 55 1.165 11.440 9.635 419 HA ASP 55 HA ASP 55 -1.032 13.103 9.060 420 HB2 ASP 55 HB2 ASP 55 1.082 12.036 7.175 421 HB3 ASP 55 HB3 ASP 55 0.044 13.429 6.881 422 H HIS 56 H HIS 56 -2.938 12.744 8.088 423 HA HIS 56 HA HIS 56 -3.948 10.176 7.682 424 HB2 HIS 56 HB2 HIS 56 -4.968 12.760 6.477 425 HB3 HIS 56 HB3 HIS 56 -5.889 11.270 6.651 426 HD1 HIS 56 HD1 HIS 56 -5.291 14.396 8.292 427 HD2 HIS 56 HD2 HIS 56 -6.109 10.518 9.554 428 HE1 HIS 56 HE1 HIS 56 -6.102 14.611 10.661 429 HE2 HIS 56 HE2 HIS 56 -6.697 12.269 11.360 430 H GLN 57 H GLN 57 -2.583 12.435 5.305 431 HA GLN 57 HA GLN 57 -3.251 10.954 2.988 432 HB2 GLN 57 HB2 GLN 57 -0.987 12.913 3.448 433 HB3 GLN 57 HB3 GLN 57 -1.435 12.267 1.877 434 HG2 GLN 57 HG2 GLN 57 -2.398 14.427 2.047 435 HG3 GLN 57 HG3 GLN 57 -3.708 13.259 2.195 436 HE21 GLN 57 HE21 GLN 57 -1.436 14.072 4.748 437 HE22 GLN 57 HE22 GLN 57 -2.590 14.841 5.780 438 H LEU 58 H LEU 58 -0.644 10.633 5.293 439 HA LEU 58 HA LEU 58 0.818 8.717 3.669 440 HB2 LEU 58 HB2 LEU 58 1.170 9.542 6.558 441 HB3 LEU 58 HB3 LEU 58 2.261 8.496 5.668 442 HG LEU 58 HG LEU 58 1.718 11.412 5.068 443 HD11 LEU 58 HD11 LEU 58 3.058 11.092 7.081 444 HD12 LEU 58 HD12 LEU 58 4.039 11.751 5.772 445 HD13 LEU 58 HD13 LEU 58 4.164 10.043 6.194 446 HD21 LEU 58 HD21 LEU 58 2.155 10.161 3.020 447 HD22 LEU 58 HD22 LEU 58 3.612 9.473 3.735 448 HD23 LEU 58 HD23 LEU 58 3.519 11.205 3.416 449 H ILE 59 H ILE 59 -1.576 8.682 6.216 450 HA ILE 59 HA ILE 59 -1.266 5.909 6.898 451 HB ILE 59 HB ILE 59 -3.564 7.803 7.450 452 HG12 ILE 59 HG12 ILE 59 -1.272 6.928 9.235 453 HG13 ILE 59 HG13 ILE 59 -1.407 8.499 8.454 454 HG21 ILE 59 HG21 ILE 59 -2.964 5.086 8.632 455 HG22 ILE 59 HG22 ILE 59 -4.316 5.494 7.575 456 HG23 ILE 59 HG23 ILE 59 -4.222 6.187 9.193 457 HD11 ILE 59 HD11 ILE 59 -3.268 7.389 10.544 458 HD12 ILE 59 HD12 ILE 59 -3.436 8.953 9.748 459 HD13 ILE 59 HD13 ILE 59 -2.042 8.634 10.779 460 H GLU 60 H GLU 60 -4.016 7.620 5.316 461 HA GLU 60 HA GLU 60 -5.380 5.251 4.680 462 HB2 GLU 60 HB2 GLU 60 -6.519 7.418 4.793 463 HB3 GLU 60 HB3 GLU 60 -5.662 7.953 3.350 464 HG2 GLU 60 HG2 GLU 60 -6.760 6.273 2.011 465 HG3 GLU 60 HG3 GLU 60 -7.526 5.582 3.438 466 H THR 61 H THR 61 -3.532 7.374 2.457 467 HA THR 61 HA THR 61 -3.881 6.096 0.077 468 HB THR 61 HB THR 61 -1.219 7.180 1.040 469 HG1 THR 61 HG1 THR 61 -2.051 9.109 0.714 470 HG21 THR 61 HG21 THR 61 -0.994 5.868 -1.020 471 HG22 THR 61 HG22 THR 61 -0.768 7.586 -1.350 472 HG23 THR 61 HG23 THR 61 -2.292 6.798 -1.769 473 H THR 62 H THR 62 -1.473 5.183 2.523 474 HA THR 62 HA THR 62 -0.251 3.073 1.157 475 HB THR 62 HB THR 62 -0.677 3.359 4.142 476 HG1 THR 62 HG1 THR 62 0.809 4.851 3.959 477 HG21 THR 62 HG21 THR 62 -0.081 1.067 3.562 478 HG22 THR 62 HG22 THR 62 1.285 1.869 4.336 479 HG23 THR 62 HG23 THR 62 1.269 1.646 2.589 480 H ASN 63 H ASN 63 -2.756 2.751 3.719 481 HA ASN 63 HA ASN 63 -3.079 -0.043 3.189 482 HB2 ASN 63 HB2 ASN 63 -4.776 -0.034 4.898 483 HB3 ASN 63 HB3 ASN 63 -3.437 0.970 5.436 484 HD21 ASN 63 HD21 ASN 63 -3.748 3.189 5.625 485 HD22 ASN 63 HD22 ASN 63 -5.319 3.899 5.590 486 H ARG 64 H ARG 64 -4.328 2.709 1.704 487 HA ARG 64 HA ARG 64 -6.790 1.525 0.757 488 HB2 ARG 64 HB2 ARG 64 -6.541 3.967 1.147 489 HB3 ARG 64 HB3 ARG 64 -5.362 4.036 -0.154 490 HG2 ARG 64 HG2 ARG 64 -7.040 3.417 -1.774 491 HG3 ARG 64 HG3 ARG 64 -8.231 3.175 -0.495 492 HD2 ARG 64 HD2 ARG 64 -7.956 5.591 0.112 493 HD3 ARG 64 HD3 ARG 64 -6.937 5.777 -1.318 494 HE ARG 64 HE ARG 64 -8.970 4.982 -2.584 495 HH11 ARG 64 HH11 ARG 64 -9.231 6.702 0.402 496 HH12 ARG 64 HH12 ARG 64 -10.809 7.292 0.034 497 HH21 ARG 64 HH21 ARG 64 -10.988 5.726 -3.020 498 HH22 ARG 64 HH22 ARG 64 -11.800 6.737 -1.878 499 H ALA 65 H ALA 65 -3.575 2.262 -0.591 500 HA ALA 65 HA ALA 65 -3.985 1.393 -3.222 501 HB1 ALA 65 HB1 ALA 65 -2.000 2.627 -2.498 502 HB2 ALA 65 HB2 ALA 65 -1.555 1.141 -3.339 503 HB3 ALA 65 HB3 ALA 65 -1.456 1.223 -1.579 504 H ILE 66 H ILE 66 -3.117 -0.418 -0.327 505 HA ILE 66 HA ILE 66 -2.538 -2.920 -1.380 506 HB ILE 66 HB ILE 66 -4.056 -2.355 1.181 507 HG12 ILE 66 HG12 ILE 66 -1.976 -1.079 1.111 508 HG13 ILE 66 HG13 ILE 66 -1.837 -2.391 2.275 509 HG21 ILE 66 HG21 ILE 66 -4.179 -4.700 0.613 510 HG22 ILE 66 HG22 ILE 66 -3.070 -4.490 1.968 511 HG23 ILE 66 HG23 ILE 66 -2.439 -4.765 0.345 512 HD11 ILE 66 HD11 ILE 66 0.198 -2.108 0.974 513 HD12 ILE 66 HD12 ILE 66 -0.703 -2.390 -0.516 514 HD13 ILE 66 HD13 ILE 66 -0.536 -3.682 0.674 515 H SER 67 H SER 67 -5.679 -1.439 -0.747 516 HA SER 67 HA SER 67 -7.337 -3.673 -1.081 517 HB2 SER 67 HB2 SER 67 -8.176 -1.579 -0.152 518 HB3 SER 67 HB3 SER 67 -7.909 -0.759 -1.689 519 HG SER 67 HG SER 67 -10.087 -1.375 -1.432 520 H LEU 68 H LEU 68 -6.094 -1.381 -3.503 521 HA LEU 68 HA LEU 68 -7.577 -2.292 -5.703 522 HB2 LEU 68 HB2 LEU 68 -4.855 -0.991 -5.559 523 HB3 LEU 68 HB3 LEU 68 -5.635 -1.380 -7.080 524 HG LEU 68 HG LEU 68 -5.995 0.947 -6.628 525 HD11 LEU 68 HD11 LEU 68 -7.864 -0.207 -7.657 526 HD12 LEU 68 HD12 LEU 68 -8.437 1.083 -6.602 527 HD13 LEU 68 HD13 LEU 68 -8.526 -0.597 -6.069 528 HD21 LEU 68 HD21 LEU 68 -5.632 0.922 -4.205 529 HD22 LEU 68 HD22 LEU 68 -7.198 0.141 -3.978 530 HD23 LEU 68 HD23 LEU 68 -7.112 1.776 -4.634 531 H TYR 69 H TYR 69 -4.301 -3.273 -4.644 532 HA TYR 69 HA TYR 69 -3.912 -5.253 -6.609 533 HB2 TYR 69 HB2 TYR 69 -2.707 -4.780 -3.898 534 HB3 TYR 69 HB3 TYR 69 -2.331 -6.257 -4.777 535 HD1 TYR 69 HD1 TYR 69 -1.936 -5.545 -7.483 536 HD2 TYR 69 HD2 TYR 69 -0.946 -3.267 -4.023 537 HE1 TYR 69 HE1 TYR 69 -0.182 -4.384 -8.755 538 HE2 TYR 69 HE2 TYR 69 0.809 -2.104 -5.292 539 HH TYR 69 HH TYR 69 1.029 -2.189 -8.634 540 H MET 70 H MET 70 -5.013 -5.647 -3.225 541 HA MET 70 HA MET 70 -5.291 -8.441 -3.338 542 HB2 MET 70 HB2 MET 70 -6.691 -6.429 -1.568 543 HB3 MET 70 HB3 MET 70 -6.751 -8.170 -1.323 544 HG2 MET 70 HG2 MET 70 -4.280 -8.176 -1.097 545 HG3 MET 70 HG3 MET 70 -4.302 -6.417 -1.216 546 HE1 MET 70 HE1 MET 70 -5.347 -9.544 0.937 547 HE2 MET 70 HE2 MET 70 -6.894 -8.768 0.595 548 HE3 MET 70 HE3 MET 70 -6.257 -8.779 2.239 549 H ALA 71 H ALA 71 -7.711 -5.891 -3.942 550 HA ALA 71 HA ALA 71 -9.928 -7.605 -4.287 551 HB1 ALA 71 HB1 ALA 71 -11.041 -5.700 -5.309 552 HB2 ALA 71 HB2 ALA 71 -9.495 -4.870 -5.496 553 HB3 ALA 71 HB3 ALA 71 -10.136 -5.189 -3.884 554 H ASN 72 H ASN 72 -7.590 -6.318 -6.659 555 HA ASN 72 HA ASN 72 -8.922 -7.453 -8.918 556 HB2 ASN 72 HB2 ASN 72 -7.366 -5.524 -9.096 557 HB3 ASN 72 HB3 ASN 72 -6.027 -6.584 -8.671 558 HD21 ASN 72 HD21 ASN 72 -8.350 -5.754 -11.121 559 HD22 ASN 72 HD22 ASN 72 -7.577 -6.609 -12.411 560 H LEU 73 H LEU 73 -6.074 -8.425 -7.020 561 HA LEU 73 HA LEU 73 -5.326 -10.665 -8.505 562 HB2 LEU 73 HB2 LEU 73 -4.054 -9.470 -6.642 563 HB3 LEU 73 HB3 LEU 73 -5.008 -10.400 -5.508 564 HG LEU 73 HG LEU 73 -2.690 -11.282 -5.944 565 HD11 LEU 73 HD11 LEU 73 -4.460 -12.719 -5.023 566 HD12 LEU 73 HD12 LEU 73 -3.319 -13.615 -6.024 567 HD13 LEU 73 HD13 LEU 73 -4.909 -13.197 -6.661 568 HD21 LEU 73 HD21 LEU 73 -2.552 -10.805 -8.326 569 HD22 LEU 73 HD22 LEU 73 -3.841 -11.964 -8.653 570 HD23 LEU 73 HD23 LEU 73 -2.291 -12.522 -8.022 571 H GLU 74 H GLU 74 -7.519 -10.481 -5.675 572 HA GLU 74 HA GLU 74 -7.983 -13.244 -5.447 573 HB2 GLU 74 HB2 GLU 74 -9.934 -12.672 -4.110 574 HB3 GLU 74 HB3 GLU 74 -8.581 -11.632 -3.683 575 HG2 GLU 74 HG2 GLU 74 -9.524 -9.790 -4.864 576 HG3 GLU 74 HG3 GLU 74 -10.773 -10.809 -5.579 577 H HIS 75 H HIS 75 -9.600 -10.804 -7.441 578 HA HIS 75 HA HIS 75 -11.622 -12.691 -8.322 579 HB2 HIS 75 HB2 HIS 75 -11.062 -9.843 -9.185 580 HB3 HIS 75 HB3 HIS 75 -12.441 -10.806 -9.710 581 HD1 HIS 75 HD1 HIS 75 -11.862 -8.187 -7.518 582 HD2 HIS 75 HD2 HIS 75 -13.729 -11.867 -7.032 583 HE1 HIS 75 HE1 HIS 75 -13.345 -7.925 -5.519 584 HE2 HIS 75 HE2 HIS 75 -14.353 -10.198 -5.156 585 H HIS 76 H HIS 76 -8.523 -11.589 -9.428 586 HA HIS 76 HA HIS 76 -8.823 -12.575 -12.116 587 HB2 HIS 76 HB2 HIS 76 -7.194 -10.810 -11.604 588 HB3 HIS 76 HB3 HIS 76 -6.321 -11.908 -10.540 589 HD1 HIS 76 HD1 HIS 76 -7.296 -11.673 -14.208 590 HD2 HIS 76 HD2 HIS 76 -4.320 -13.273 -11.784 591 HE1 HIS 76 HE1 HIS 76 -5.605 -12.667 -15.774 592 HE2 HIS 76 HE2 HIS 76 -3.856 -13.691 -14.293 593 H HIS 77 H HIS 77 -7.245 -13.784 -9.162 594 HA HIS 77 HA HIS 77 -6.544 -16.332 -10.250 595 HB2 HIS 77 HB2 HIS 77 -5.487 -15.256 -8.223 596 HB3 HIS 77 HB3 HIS 77 -6.966 -15.599 -7.336 597 HD1 HIS 77 HD1 HIS 77 -7.188 -17.897 -6.333 598 HD2 HIS 77 HD2 HIS 77 -3.999 -17.622 -8.978 599 HE1 HIS 77 HE1 HIS 77 -5.897 -20.023 -6.046 600 HE2 HIS 77 HE2 HIS 77 -4.081 -19.910 -7.778 601 H HIS 78 H HIS 78 -9.086 -15.280 -8.005 602 HA HIS 78 HA HIS 78 -11.159 -16.015 -7.516 603 HB2 HIS 78 HB2 HIS 78 -11.450 -14.968 -9.722 604 HB3 HIS 78 HB3 HIS 78 -11.246 -16.542 -10.486 605 HD1 HIS 78 HD1 HIS 78 -13.430 -15.414 -7.565 606 HD2 HIS 78 HD2 HIS 78 -13.734 -17.361 -11.225 607 HE1 HIS 78 HE1 HIS 78 -15.836 -16.072 -7.777 608 HE2 HIS 78 HE2 HIS 78 -16.019 -17.169 -10.030 609 H HIS 79 H HIS 79 -11.597 -17.713 -6.338 610 HA HIS 79 HA HIS 79 -12.324 -20.194 -7.527 611 HB2 HIS 79 HB2 HIS 79 -9.882 -20.525 -7.513 612 HB3 HIS 79 HB3 HIS 79 -9.848 -20.226 -5.779 613 HD1 HIS 79 HD1 HIS 79 -9.224 -22.449 -4.852 614 HD2 HIS 79 HD2 HIS 79 -12.263 -22.736 -7.666 615 HE1 HIS 79 HE1 HIS 79 -9.944 -24.854 -4.818 616 HE2 HIS 79 HE2 HIS 79 -11.945 -24.933 -6.338 617 H HIS 80 H HIS 80 -11.588 -18.364 -4.606 618 HA HIS 80 HA HIS 80 -13.660 -19.871 -3.152 619 HB2 HIS 80 HB2 HIS 80 -11.143 -19.157 -2.314 620 HB3 HIS 80 HB3 HIS 80 -12.115 -17.854 -1.641 621 HD1 HIS 80 HD1 HIS 80 -13.544 -18.409 0.397 622 HD2 HIS 80 HD2 HIS 80 -11.794 -21.751 -1.337 623 HE1 HIS 80 HE1 HIS 80 -13.940 -20.285 2.012 624 HE2 HIS 80 HE2 HIS 80 -12.695 -22.240 1.031 Start of MODEL 20 1 H1 MET 1 H1 MET 1 15.867 -12.939 -6.732 2 H2 MET 1 H2 MET 1 16.928 -13.339 -5.477 3 H3 MET 1 H3 MET 1 17.375 -12.188 -6.631 4 HA MET 1 HA MET 1 16.736 -11.189 -4.513 5 HB2 MET 1 HB2 MET 1 16.489 -9.984 -6.689 6 HB3 MET 1 HB3 MET 1 14.822 -10.541 -6.775 7 HG2 MET 1 HG2 MET 1 14.311 -9.322 -4.712 8 HG3 MET 1 HG3 MET 1 15.981 -8.760 -4.633 9 HE1 MET 1 HE1 MET 1 17.060 -7.087 -6.491 10 HE2 MET 1 HE2 MET 1 16.164 -6.550 -7.912 11 HE3 MET 1 HE3 MET 1 16.583 -8.252 -7.726 12 H ALA 2 H ALA 2 13.629 -11.867 -6.137 13 HA ALA 2 HA ALA 2 12.431 -13.530 -4.263 14 HB1 ALA 2 HB1 ALA 2 11.089 -12.001 -2.896 15 HB2 ALA 2 HB2 ALA 2 11.890 -10.616 -3.639 16 HB3 ALA 2 HB3 ALA 2 12.811 -11.731 -2.629 17 H GLY 3 H GLY 3 9.901 -13.256 -4.313 18 HA2 GLY 3 HA2 GLY 3 9.093 -12.991 -7.074 19 HA3 GLY 3 HA3 GLY 3 8.060 -13.420 -5.718 20 H ASP 4 H ASP 4 9.887 -10.613 -6.902 21 HA ASP 4 HA ASP 4 9.527 -8.388 -6.892 22 HB2 ASP 4 HB2 ASP 4 7.661 -9.287 -8.441 23 HB3 ASP 4 HB3 ASP 4 6.570 -8.882 -7.116 24 HA PRO 5 HA PRO 5 8.167 -7.797 -2.574 25 HB2 PRO 5 HB2 PRO 5 10.464 -6.914 -1.571 26 HB3 PRO 5 HB3 PRO 5 10.268 -8.625 -1.977 27 HG2 PRO 5 HG2 PRO 5 11.713 -6.475 -3.475 28 HG3 PRO 5 HG3 PRO 5 12.153 -8.178 -3.252 29 HD2 PRO 5 HD2 PRO 5 10.858 -7.072 -5.498 30 HD3 PRO 5 HD3 PRO 5 11.002 -8.801 -5.114 31 H MET 6 H MET 6 8.732 -5.767 -5.120 32 HA MET 6 HA MET 6 8.665 -3.302 -3.483 33 HB2 MET 6 HB2 MET 6 9.675 -3.699 -6.312 34 HB3 MET 6 HB3 MET 6 9.618 -2.156 -5.469 35 HG2 MET 6 HG2 MET 6 11.200 -2.962 -3.820 36 HG3 MET 6 HG3 MET 6 11.211 -4.554 -4.575 37 HE1 MET 6 HE1 MET 6 12.139 -5.019 -7.011 38 HE2 MET 6 HE2 MET 6 12.891 -3.794 -8.035 39 HE3 MET 6 HE3 MET 6 11.161 -3.724 -7.701 40 H THR 7 H THR 7 6.529 -5.190 -4.875 41 HA THR 7 HA THR 7 4.995 -3.955 -6.745 42 HB THR 7 HB THR 7 2.973 -4.929 -5.677 43 HG1 THR 7 HG1 THR 7 4.733 -5.810 -3.617 44 HG21 THR 7 HG21 THR 7 5.382 -6.760 -5.674 45 HG22 THR 7 HG22 THR 7 4.390 -6.353 -7.076 46 HG23 THR 7 HG23 THR 7 3.696 -7.274 -5.742 47 H PHE 8 H PHE 8 4.828 -3.195 -3.252 48 HA PHE 8 HA PHE 8 2.774 -1.326 -3.301 49 HB2 PHE 8 HB2 PHE 8 3.752 -2.200 -1.220 50 HB3 PHE 8 HB3 PHE 8 5.241 -1.317 -1.535 51 HD1 PHE 8 HD1 PHE 8 1.616 -0.876 -0.857 52 HD2 PHE 8 HD2 PHE 8 5.483 0.920 -0.821 53 HE1 PHE 8 HE1 PHE 8 0.703 1.065 0.348 54 HE2 PHE 8 HE2 PHE 8 4.570 2.862 0.384 55 HZ PHE 8 HZ PHE 8 2.177 2.935 0.970 56 H TYR 9 H TYR 9 6.274 -0.697 -3.631 57 HA TYR 9 HA TYR 9 6.017 2.077 -4.139 58 HB2 TYR 9 HB2 TYR 9 8.129 1.029 -3.391 59 HB3 TYR 9 HB3 TYR 9 8.259 0.195 -4.934 60 HD1 TYR 9 HD1 TYR 9 8.312 3.544 -3.335 61 HD2 TYR 9 HD2 TYR 9 9.193 1.288 -6.840 62 HE1 TYR 9 HE1 TYR 9 9.541 5.462 -4.257 63 HE2 TYR 9 HE2 TYR 9 10.423 3.205 -7.765 64 HH TYR 9 HH TYR 9 10.500 5.648 -7.503 65 H ASN 10 H ASN 10 6.177 -0.745 -6.275 66 HA ASN 10 HA ASN 10 6.338 0.596 -8.740 67 HB2 ASN 10 HB2 ASN 10 6.751 -1.846 -8.375 68 HB3 ASN 10 HB3 ASN 10 5.016 -2.074 -8.187 69 HD21 ASN 10 HD21 ASN 10 4.816 -3.413 -9.954 70 HD22 ASN 10 HD22 ASN 10 4.999 -2.856 -11.579 71 H PHE 11 H PHE 11 3.645 0.094 -6.593 72 HA PHE 11 HA PHE 11 1.609 0.706 -8.551 73 HB2 PHE 11 HB2 PHE 11 1.161 -0.701 -6.535 74 HB3 PHE 11 HB3 PHE 11 1.396 0.720 -5.524 75 HD1 PHE 11 HD1 PHE 11 -0.825 -0.945 -7.919 76 HD2 PHE 11 HD2 PHE 11 -0.285 2.483 -5.442 77 HE1 PHE 11 HE1 PHE 11 -3.198 -0.366 -8.202 78 HE2 PHE 11 HE2 PHE 11 -2.659 3.060 -5.723 79 HZ PHE 11 HZ PHE 11 -4.118 1.636 -7.104 80 H ILE 12 H ILE 12 3.002 2.436 -5.760 81 HA ILE 12 HA ILE 12 1.542 4.843 -6.332 82 HB ILE 12 HB ILE 12 2.236 4.086 -4.030 83 HG12 ILE 12 HG12 ILE 12 2.726 6.374 -3.204 84 HG13 ILE 12 HG13 ILE 12 3.063 6.890 -4.854 85 HG21 ILE 12 HG21 ILE 12 4.950 5.097 -4.892 86 HG22 ILE 12 HG22 ILE 12 4.525 3.424 -4.524 87 HG23 ILE 12 HG23 ILE 12 4.492 4.642 -3.249 88 HD11 ILE 12 HD11 ILE 12 0.850 7.577 -4.137 89 HD12 ILE 12 HD12 ILE 12 0.411 5.898 -3.823 90 HD13 ILE 12 HD13 ILE 12 0.749 6.430 -5.471 91 H MET 13 H MET 13 4.448 3.531 -7.517 92 HA MET 13 HA MET 13 6.004 5.789 -8.063 93 HB2 MET 13 HB2 MET 13 6.779 3.461 -8.338 94 HB3 MET 13 HB3 MET 13 5.711 3.269 -9.722 95 HG2 MET 13 HG2 MET 13 6.973 4.922 -10.964 96 HG3 MET 13 HG3 MET 13 7.992 5.236 -9.560 97 HE1 MET 13 HE1 MET 13 7.972 1.227 -11.863 98 HE2 MET 13 HE2 MET 13 7.010 2.624 -12.346 99 HE3 MET 13 HE3 MET 13 6.637 1.772 -10.849 100 H GLY 14 H GLY 14 6.045 7.286 -9.704 101 HA2 GLY 14 HA2 GLY 14 5.300 8.216 -11.787 102 HA3 GLY 14 HA3 GLY 14 3.847 7.234 -11.678 103 H PHE 15 H PHE 15 2.954 7.780 -9.149 104 HA PHE 15 HA PHE 15 1.704 10.304 -9.357 105 HB2 PHE 15 HB2 PHE 15 2.067 8.524 -6.927 106 HB3 PHE 15 HB3 PHE 15 0.963 9.891 -7.015 107 HD1 PHE 15 HD1 PHE 15 1.691 6.561 -8.494 108 HD2 PHE 15 HD2 PHE 15 -1.207 9.627 -7.885 109 HE1 PHE 15 HE1 PHE 15 -0.061 5.073 -9.365 110 HE2 PHE 15 HE2 PHE 15 -2.961 8.141 -8.757 111 HZ PHE 15 HZ PHE 15 -2.393 5.862 -9.497 112 H GLN 16 H GLN 16 4.692 9.293 -7.926 113 HA GLN 16 HA GLN 16 5.265 11.355 -6.140 114 HB2 GLN 16 HB2 GLN 16 6.518 9.128 -6.761 115 HB3 GLN 16 HB3 GLN 16 7.391 10.140 -7.895 116 HG2 GLN 16 HG2 GLN 16 7.268 10.631 -4.921 117 HG3 GLN 16 HG3 GLN 16 8.552 9.743 -5.734 118 HE21 GLN 16 HE21 GLN 16 7.258 12.859 -5.016 119 HE22 GLN 16 HE22 GLN 16 8.536 13.780 -5.718 120 H ASN 17 H ASN 17 5.303 11.348 -9.632 121 HA ASN 17 HA ASN 17 7.060 13.535 -10.036 122 HB2 ASN 17 HB2 ASN 17 6.543 11.887 -11.790 123 HB3 ASN 17 HB3 ASN 17 4.886 12.479 -11.856 124 HD21 ASN 17 HD21 ASN 17 4.466 14.446 -12.834 125 HD22 ASN 17 HD22 ASN 17 5.635 15.267 -13.802 126 H ASP 18 H ASP 18 3.601 13.366 -9.410 127 HA ASP 18 HA ASP 18 3.434 16.291 -9.743 128 HB2 ASP 18 HB2 ASP 18 0.916 15.881 -9.699 129 HB3 ASP 18 HB3 ASP 18 1.790 15.310 -11.114 130 H ASN 19 H ASN 19 3.146 17.586 -8.058 131 HA ASN 19 HA ASN 19 3.452 16.648 -5.417 132 HB2 ASN 19 HB2 ASN 19 2.572 19.368 -6.418 133 HB3 ASN 19 HB3 ASN 19 3.030 19.011 -4.754 134 HD21 ASN 19 HD21 ASN 19 4.175 19.392 -8.017 135 HD22 ASN 19 HD22 ASN 19 5.855 19.473 -7.624 136 H THR 20 H THR 20 1.870 15.190 -4.930 137 HA THR 20 HA THR 20 -0.785 16.275 -4.249 138 HB THR 20 HB THR 20 -1.879 14.217 -5.098 139 HG1 THR 20 HG1 THR 20 0.287 13.509 -6.697 140 HG21 THR 20 HG21 THR 20 -1.837 16.186 -6.550 141 HG22 THR 20 HG22 THR 20 -1.733 14.704 -7.501 142 HG23 THR 20 HG23 THR 20 -0.287 15.674 -7.218 143 HA PRO 21 HA PRO 21 -0.656 13.748 -0.462 144 HB2 PRO 21 HB2 PRO 21 -2.999 12.284 -1.643 145 HB3 PRO 21 HB3 PRO 21 -2.779 12.909 -0.003 146 HG2 PRO 21 HG2 PRO 21 -4.300 14.223 -1.741 147 HG3 PRO 21 HG3 PRO 21 -3.228 15.107 -0.641 148 HD2 PRO 21 HD2 PRO 21 -2.931 14.589 -3.564 149 HD3 PRO 21 HD3 PRO 21 -2.406 15.988 -2.605 150 H PHE 22 H PHE 22 -1.245 12.102 -3.547 151 HA PHE 22 HA PHE 22 -0.150 9.578 -2.771 152 HB2 PHE 22 HB2 PHE 22 -0.524 10.744 -5.546 153 HB3 PHE 22 HB3 PHE 22 -0.233 9.049 -5.170 154 HD1 PHE 22 HD1 PHE 22 -1.994 7.662 -4.223 155 HD2 PHE 22 HD2 PHE 22 -2.697 11.757 -5.168 156 HE1 PHE 22 HE1 PHE 22 -4.417 7.285 -4.046 157 HE2 PHE 22 HE2 PHE 22 -5.123 11.381 -4.991 158 HZ PHE 22 HZ PHE 22 -5.986 9.145 -4.427 159 H GLY 23 H GLY 23 1.102 12.358 -4.607 160 HA2 GLY 23 HA2 GLY 23 3.659 11.403 -5.206 161 HA3 GLY 23 HA3 GLY 23 3.238 13.095 -5.000 162 H ILE 24 H ILE 24 2.537 13.099 -2.300 163 HA ILE 24 HA ILE 24 5.027 13.296 -0.996 164 HB ILE 24 HB ILE 24 2.247 13.124 0.192 165 HG12 ILE 24 HG12 ILE 24 2.558 15.043 -1.310 166 HG13 ILE 24 HG13 ILE 24 2.419 15.578 0.361 167 HG21 ILE 24 HG21 ILE 24 3.899 12.533 1.884 168 HG22 ILE 24 HG22 ILE 24 3.219 14.125 2.220 169 HG23 ILE 24 HG23 ILE 24 4.828 13.987 1.512 170 HD11 ILE 24 HD11 ILE 24 4.975 15.325 -1.212 171 HD12 ILE 24 HD12 ILE 24 4.849 15.848 0.469 172 HD13 ILE 24 HD13 ILE 24 4.132 16.823 -0.815 173 H LEU 25 H LEU 25 2.493 10.791 -0.807 174 HA LEU 25 HA LEU 25 3.706 9.118 1.077 175 HB2 LEU 25 HB2 LEU 25 1.361 8.968 0.141 176 HB3 LEU 25 HB3 LEU 25 2.043 8.227 -1.290 177 HG LEU 25 HG LEU 25 0.984 6.658 0.395 178 HD11 LEU 25 HD11 LEU 25 3.886 6.124 -0.239 179 HD12 LEU 25 HD12 LEU 25 2.529 5.848 -1.330 180 HD13 LEU 25 HD13 LEU 25 2.659 4.922 0.164 181 HD21 LEU 25 HD21 LEU 25 2.256 6.044 2.365 182 HD22 LEU 25 HD22 LEU 25 1.824 7.752 2.421 183 HD23 LEU 25 HD23 LEU 25 3.468 7.271 1.996 184 H ALA 26 H ALA 26 3.908 8.979 -2.488 185 HA ALA 26 HA ALA 26 5.722 6.858 -2.706 186 HB1 ALA 26 HB1 ALA 26 5.384 9.218 -4.562 187 HB2 ALA 26 HB2 ALA 26 4.448 7.724 -4.599 188 HB3 ALA 26 HB3 ALA 26 6.172 7.691 -4.964 189 H GLU 27 H GLU 27 6.353 10.352 -2.507 190 HA GLU 27 HA GLU 27 9.166 10.193 -2.732 191 HB2 GLU 27 HB2 GLU 27 7.929 12.273 -3.086 192 HB3 GLU 27 HB3 GLU 27 7.440 12.291 -1.396 193 HG2 GLU 27 HG2 GLU 27 9.743 12.596 -0.698 194 HG3 GLU 27 HG3 GLU 27 10.289 12.488 -2.372 195 H HIS 28 H HIS 28 7.001 10.017 0.051 196 HA HIS 28 HA HIS 28 9.015 10.199 2.040 197 HB2 HIS 28 HB2 HIS 28 6.548 10.618 2.379 198 HB3 HIS 28 HB3 HIS 28 6.315 8.873 2.341 199 HD1 HIS 28 HD1 HIS 28 8.436 11.365 4.289 200 HD2 HIS 28 HD2 HIS 28 6.432 7.763 4.827 201 HE1 HIS 28 HE1 HIS 28 8.686 10.815 6.721 202 HE2 HIS 28 HE2 HIS 28 7.459 8.648 7.038 203 H VAL 29 H VAL 29 7.384 7.390 0.533 204 HA VAL 29 HA VAL 29 8.802 5.463 2.080 205 HB VAL 29 HB VAL 29 8.006 3.785 0.493 206 HG11 VAL 29 HG11 VAL 29 5.590 4.154 0.772 207 HG12 VAL 29 HG12 VAL 29 5.898 5.842 1.185 208 HG13 VAL 29 HG13 VAL 29 6.488 4.553 2.238 209 HG21 VAL 29 HG21 VAL 29 6.981 6.110 -1.147 210 HG22 VAL 29 HG22 VAL 29 6.662 4.403 -1.461 211 HG23 VAL 29 HG23 VAL 29 8.305 5.032 -1.593 212 H SER 30 H SER 30 9.590 7.216 -0.832 213 HA SER 30 HA SER 30 11.778 5.648 -1.715 214 HB2 SER 30 HB2 SER 30 10.820 7.372 -3.151 215 HB3 SER 30 HB3 SER 30 11.280 8.629 -2.003 216 HG SER 30 HG SER 30 12.933 7.049 -3.666 217 H GLU 31 H GLU 31 11.415 7.832 0.944 218 HA GLU 31 HA GLU 31 14.205 8.337 1.410 219 HB2 GLU 31 HB2 GLU 31 12.405 9.849 2.187 220 HB3 GLU 31 HB3 GLU 31 11.826 8.598 3.275 221 HG2 GLU 31 HG2 GLU 31 14.051 8.675 4.417 222 HG3 GLU 31 HG3 GLU 31 14.453 10.064 3.409 223 H ASP 32 H ASP 32 12.210 5.632 1.935 224 HA ASP 32 HA ASP 32 13.438 4.738 4.395 225 HB2 ASP 32 HB2 ASP 32 10.991 4.376 3.523 226 HB3 ASP 32 HB3 ASP 32 11.690 3.002 2.669 227 H LYS 33 H LYS 33 13.574 1.928 3.850 228 HA LYS 33 HA LYS 33 16.282 1.691 3.244 229 HB2 LYS 33 HB2 LYS 33 14.903 0.137 4.629 230 HB3 LYS 33 HB3 LYS 33 14.189 -0.487 3.152 231 HG2 LYS 33 HG2 LYS 33 15.884 -2.007 3.865 232 HG3 LYS 33 HG3 LYS 33 16.468 -1.184 2.417 233 HD2 LYS 33 HD2 LYS 33 17.838 0.296 3.766 234 HD3 LYS 33 HD3 LYS 33 17.183 -0.401 5.249 235 HE2 LYS 33 HE2 LYS 33 18.150 -2.594 4.589 236 HE3 LYS 33 HE3 LYS 33 18.881 -1.814 3.186 237 HZ1 LYS 33 HZ1 LYS 33 20.108 -0.368 4.704 238 HZ2 LYS 33 HZ2 LYS 33 20.464 -2.000 4.971 239 HZ3 LYS 33 HZ3 LYS 33 19.438 -1.172 6.031 240 H ALA 34 H ALA 34 13.465 1.255 1.159 241 HA ALA 34 HA ALA 34 13.213 1.017 -1.089 242 HB1 ALA 34 HB1 ALA 34 14.947 1.741 -2.599 243 HB2 ALA 34 HB2 ALA 34 16.161 1.625 -1.322 244 HB3 ALA 34 HB3 ALA 34 14.888 2.842 -1.223 245 H PHE 35 H PHE 35 14.750 -1.098 0.774 246 HA PHE 35 HA PHE 35 15.019 -3.095 -1.380 247 HB2 PHE 35 HB2 PHE 35 16.659 -2.887 1.168 248 HB3 PHE 35 HB3 PHE 35 16.720 -4.246 0.052 249 HD1 PHE 35 HD1 PHE 35 17.264 -3.614 -2.446 250 HD2 PHE 35 HD2 PHE 35 18.202 -1.176 0.919 251 HE1 PHE 35 HE1 PHE 35 18.995 -2.465 -3.761 252 HE2 PHE 35 HE2 PHE 35 19.934 -0.025 -0.397 253 HZ PHE 35 HZ PHE 35 20.330 -0.669 -2.739 254 HA PRO 36 HA PRO 36 11.818 -5.508 0.390 255 HB2 PRO 36 HB2 PRO 36 13.106 -8.006 0.607 256 HB3 PRO 36 HB3 PRO 36 12.212 -7.400 -0.786 257 HG2 PRO 36 HG2 PRO 36 15.153 -7.391 -0.277 258 HG3 PRO 36 HG3 PRO 36 14.274 -7.632 -1.801 259 HD2 PRO 36 HD2 PRO 36 15.495 -5.318 -1.272 260 HD3 PRO 36 HD3 PRO 36 13.922 -5.344 -2.097 261 H ARG 37 H ARG 37 11.465 -4.768 2.449 262 HA ARG 37 HA ARG 37 13.089 -5.807 4.654 263 HB2 ARG 37 HB2 ARG 37 10.700 -3.961 4.859 264 HB3 ARG 37 HB3 ARG 37 11.952 -4.238 6.063 265 HG2 ARG 37 HG2 ARG 37 13.596 -3.218 4.474 266 HG3 ARG 37 HG3 ARG 37 12.239 -2.796 3.432 267 HD2 ARG 37 HD2 ARG 37 12.736 -0.866 4.731 268 HD3 ARG 37 HD3 ARG 37 11.252 -1.553 5.394 269 HE ARG 37 HE ARG 37 13.264 -2.660 6.886 270 HH11 ARG 37 HH11 ARG 37 12.275 0.574 6.171 271 HH12 ARG 37 HH12 ARG 37 12.866 1.190 7.675 272 HH21 ARG 37 HH21 ARG 37 14.008 -1.844 8.802 273 HH22 ARG 37 HH22 ARG 37 13.838 -0.156 9.143 274 H LEU 38 H LEU 38 9.567 -5.370 4.306 275 HA LEU 38 HA LEU 38 9.129 -8.169 5.112 276 HB2 LEU 38 HB2 LEU 38 7.784 -5.768 6.371 277 HB3 LEU 38 HB3 LEU 38 7.377 -7.441 6.700 278 HG LEU 38 HG LEU 38 10.060 -6.181 7.320 279 HD11 LEU 38 HD11 LEU 38 9.354 -6.238 9.655 280 HD12 LEU 38 HD12 LEU 38 7.763 -6.824 9.168 281 HD13 LEU 38 HD13 LEU 38 8.291 -5.209 8.694 282 HD21 LEU 38 HD21 LEU 38 8.898 -8.855 8.111 283 HD22 LEU 38 HD22 LEU 38 10.457 -8.208 8.623 284 HD23 LEU 38 HD23 LEU 38 10.178 -8.595 6.925 285 H GLU 39 H GLU 39 8.723 -6.306 2.648 286 HA GLU 39 HA GLU 39 5.868 -6.081 2.337 287 HB2 GLU 39 HB2 GLU 39 8.061 -5.673 0.289 288 HB3 GLU 39 HB3 GLU 39 6.382 -5.195 0.103 289 HG2 GLU 39 HG2 GLU 39 7.611 -3.244 0.636 290 HG3 GLU 39 HG3 GLU 39 6.683 -3.672 2.072 291 H GLU 40 H GLU 40 6.408 -8.791 2.743 292 HA GLU 40 HA GLU 40 6.482 -10.144 0.187 293 HB2 GLU 40 HB2 GLU 40 5.987 -11.232 2.970 294 HB3 GLU 40 HB3 GLU 40 6.182 -12.217 1.526 295 HG2 GLU 40 HG2 GLU 40 8.460 -11.242 1.247 296 HG3 GLU 40 HG3 GLU 40 8.249 -10.430 2.797 297 H ARG 41 H ARG 41 4.049 -10.309 2.825 298 HA ARG 41 HA ARG 41 2.018 -10.986 0.833 299 HB2 ARG 41 HB2 ARG 41 2.068 -11.151 3.839 300 HB3 ARG 41 HB3 ARG 41 0.584 -11.374 2.918 301 HG2 ARG 41 HG2 ARG 41 1.713 -13.196 1.650 302 HG3 ARG 41 HG3 ARG 41 3.098 -13.030 2.731 303 HD2 ARG 41 HD2 ARG 41 1.788 -13.694 4.624 304 HD3 ARG 41 HD3 ARG 41 0.294 -13.624 3.686 305 HE ARG 41 HE ARG 41 2.039 -15.447 2.466 306 HH11 ARG 41 HH11 ARG 41 0.164 -15.134 5.337 307 HH12 ARG 41 HH12 ARG 41 -0.094 -16.835 5.481 308 HH21 ARG 41 HH21 ARG 41 1.694 -17.603 2.639 309 HH22 ARG 41 HH22 ARG 41 0.768 -18.228 3.961 310 H HIS 42 H HIS 42 3.138 -8.163 2.056 311 HA HIS 42 HA HIS 42 2.440 -6.034 1.644 312 HB2 HIS 42 HB2 HIS 42 -0.155 -7.217 0.632 313 HB3 HIS 42 HB3 HIS 42 0.436 -5.584 0.348 314 HD1 HIS 42 HD1 HIS 42 0.688 -9.056 -0.901 315 HD2 HIS 42 HD2 HIS 42 2.630 -5.427 -1.489 316 HE1 HIS 42 HE1 HIS 42 2.040 -9.347 -2.995 317 HE2 HIS 42 HE2 HIS 42 3.346 -7.210 -3.217 318 H GLN 43 H GLN 43 -0.293 -7.938 2.975 319 HA GLN 43 HA GLN 43 -1.750 -5.941 4.158 320 HB2 GLN 43 HB2 GLN 43 -2.549 -8.222 4.037 321 HB3 GLN 43 HB3 GLN 43 -1.299 -8.762 5.149 322 HG2 GLN 43 HG2 GLN 43 -2.316 -7.475 6.950 323 HG3 GLN 43 HG3 GLN 43 -3.540 -6.864 5.837 324 HE21 GLN 43 HE21 GLN 43 -5.194 -7.744 7.120 325 HE22 GLN 43 HE22 GLN 43 -5.524 -9.439 7.129 326 H VAL 44 H VAL 44 1.170 -7.447 5.483 327 HA VAL 44 HA VAL 44 1.042 -6.510 8.107 328 HB VAL 44 HB VAL 44 3.500 -6.698 8.174 329 HG11 VAL 44 HG11 VAL 44 2.137 -8.703 8.442 330 HG12 VAL 44 HG12 VAL 44 3.641 -9.084 7.606 331 HG13 VAL 44 HG13 VAL 44 2.136 -8.956 6.696 332 HG21 VAL 44 HG21 VAL 44 3.281 -7.183 5.195 333 HG22 VAL 44 HG22 VAL 44 4.742 -7.391 6.162 334 HG23 VAL 44 HG23 VAL 44 4.033 -5.787 5.969 335 H ILE 45 H ILE 45 2.117 -4.834 5.191 336 HA ILE 45 HA ILE 45 3.328 -2.582 6.332 337 HB ILE 45 HB ILE 45 1.721 -2.693 3.763 338 HG12 ILE 45 HG12 ILE 45 4.701 -3.091 4.194 339 HG13 ILE 45 HG13 ILE 45 3.547 -4.384 3.885 340 HG21 ILE 45 HG21 ILE 45 3.095 -0.771 3.067 341 HG22 ILE 45 HG22 ILE 45 3.847 -0.736 4.663 342 HG23 ILE 45 HG23 ILE 45 2.124 -0.401 4.491 343 HD11 ILE 45 HD11 ILE 45 3.053 -3.405 1.694 344 HD12 ILE 45 HD12 ILE 45 4.758 -3.817 1.876 345 HD13 ILE 45 HD13 ILE 45 4.239 -2.136 2.007 346 H ARG 46 H ARG 46 -0.074 -3.228 5.588 347 HA ARG 46 HA ARG 46 -1.095 -0.652 6.091 348 HB2 ARG 46 HB2 ARG 46 -2.226 -2.656 4.940 349 HB3 ARG 46 HB3 ARG 46 -2.625 -3.222 6.553 350 HG2 ARG 46 HG2 ARG 46 -3.406 -0.471 5.638 351 HG3 ARG 46 HG3 ARG 46 -4.379 -1.881 5.230 352 HD2 ARG 46 HD2 ARG 46 -3.643 -1.073 8.046 353 HD3 ARG 46 HD3 ARG 46 -5.160 -0.659 7.252 354 HE ARG 46 HE ARG 46 -4.654 -3.470 7.214 355 HH11 ARG 46 HH11 ARG 46 -5.780 -0.915 9.236 356 HH12 ARG 46 HH12 ARG 46 -6.803 -1.957 10.160 357 HH21 ARG 46 HH21 ARG 46 -5.962 -4.784 8.402 358 HH22 ARG 46 HH22 ARG 46 -6.930 -4.119 9.673 359 H ALA 47 H ALA 47 -0.325 -3.327 8.235 360 HA ALA 47 HA ALA 47 -1.556 -2.248 10.569 361 HB1 ALA 47 HB1 ALA 47 -0.254 -3.915 11.793 362 HB2 ALA 47 HB2 ALA 47 0.711 -4.235 10.351 363 HB3 ALA 47 HB3 ALA 47 -1.008 -4.627 10.367 364 H TYR 48 H TYR 48 1.824 -2.253 9.402 365 HA TYR 48 HA TYR 48 2.931 -0.857 11.573 366 HB2 TYR 48 HB2 TYR 48 3.861 -1.081 8.704 367 HB3 TYR 48 HB3 TYR 48 4.816 -0.330 9.977 368 HD1 TYR 48 HD1 TYR 48 5.260 -1.812 12.089 369 HD2 TYR 48 HD2 TYR 48 4.120 -3.369 8.293 370 HE1 TYR 48 HE1 TYR 48 6.175 -4.004 12.720 371 HE2 TYR 48 HE2 TYR 48 5.029 -5.566 8.917 372 HH TYR 48 HH TYR 48 6.705 -6.486 10.482 373 H VAL 49 H VAL 49 1.561 0.397 8.524 374 HA VAL 49 HA VAL 49 2.443 3.055 8.876 375 HB VAL 49 HB VAL 49 0.762 3.730 7.233 376 HG11 VAL 49 HG11 VAL 49 2.863 2.718 6.478 377 HG12 VAL 49 HG12 VAL 49 1.536 2.368 5.372 378 HG13 VAL 49 HG13 VAL 49 2.102 1.127 6.491 379 HG21 VAL 49 HG21 VAL 49 -1.119 2.366 7.964 380 HG22 VAL 49 HG22 VAL 49 -0.272 0.899 7.472 381 HG23 VAL 49 HG23 VAL 49 -0.782 2.073 6.258 382 H MET 50 H MET 50 -0.389 1.391 10.157 383 HA MET 50 HA MET 50 -1.729 3.744 11.080 384 HB2 MET 50 HB2 MET 50 -1.968 0.876 12.023 385 HB3 MET 50 HB3 MET 50 -3.059 2.178 12.478 386 HG2 MET 50 HG2 MET 50 -3.679 2.445 10.102 387 HG3 MET 50 HG3 MET 50 -2.637 1.080 9.701 388 HE1 MET 50 HE1 MET 50 -4.435 -1.820 11.711 389 HE2 MET 50 HE2 MET 50 -3.174 -0.753 12.326 390 HE3 MET 50 HE3 MET 50 -3.053 -1.408 10.694 391 H SER 51 H SER 51 0.985 1.993 12.228 392 HA SER 51 HA SER 51 0.805 3.183 14.914 393 HB2 SER 51 HB2 SER 51 1.318 0.794 14.855 394 HB3 SER 51 HB3 SER 51 2.713 1.096 13.820 395 HG SER 51 HG SER 51 3.393 0.896 15.953 396 H ASN 52 H ASN 52 2.691 3.351 11.966 397 HA ASN 52 HA ASN 52 4.726 5.033 13.220 398 HB2 ASN 52 HB2 ASN 52 4.482 3.749 10.505 399 HB3 ASN 52 HB3 ASN 52 5.715 4.963 10.844 400 HD21 ASN 52 HD21 ASN 52 4.562 1.759 11.665 401 HD22 ASN 52 HD22 ASN 52 6.030 1.222 12.396 402 H TYR 53 H TYR 53 2.046 5.362 10.947 403 HA TYR 53 HA TYR 53 2.728 8.209 10.597 404 HB2 TYR 53 HB2 TYR 53 0.858 6.474 8.962 405 HB3 TYR 53 HB3 TYR 53 1.206 8.172 8.653 406 HD1 TYR 53 HD1 TYR 53 4.152 8.224 9.078 407 HD2 TYR 53 HD2 TYR 53 1.698 5.379 7.071 408 HE1 TYR 53 HE1 TYR 53 6.062 7.578 7.672 409 HE2 TYR 53 HE2 TYR 53 3.602 4.726 5.660 410 HH TYR 53 HH TYR 53 6.769 5.518 6.348 411 H THR 54 H THR 54 1.209 9.823 10.951 412 HA THR 54 HA THR 54 -1.086 9.046 12.654 413 HB THR 54 HB THR 54 -0.911 11.323 13.644 414 HG1 THR 54 HG1 THR 54 0.846 12.625 13.114 415 HG21 THR 54 HG21 THR 54 0.218 9.437 14.744 416 HG22 THR 54 HG22 THR 54 1.131 10.934 14.949 417 HG23 THR 54 HG23 THR 54 1.660 9.731 13.773 418 H ASP 55 H ASP 55 -0.134 10.786 9.802 419 HA ASP 55 HA ASP 55 -2.571 12.360 9.695 420 HB2 ASP 55 HB2 ASP 55 -0.446 13.386 9.043 421 HB3 ASP 55 HB3 ASP 55 -0.254 12.198 7.755 422 H HIS 56 H HIS 56 -4.028 12.377 7.941 423 HA HIS 56 HA HIS 56 -5.008 9.849 7.215 424 HB2 HIS 56 HB2 HIS 56 -5.655 12.572 6.058 425 HB3 HIS 56 HB3 HIS 56 -6.586 11.108 5.759 426 HD1 HIS 56 HD1 HIS 56 -6.510 13.971 7.904 427 HD2 HIS 56 HD2 HIS 56 -7.609 9.987 8.344 428 HE1 HIS 56 HE1 HIS 56 -7.965 13.898 9.944 429 HE2 HIS 56 HE2 HIS 56 -8.501 11.464 10.267 430 H GLN 57 H GLN 57 -3.288 12.277 5.201 431 HA GLN 57 HA GLN 57 -3.647 10.995 2.744 432 HB2 GLN 57 HB2 GLN 57 -1.455 12.846 3.692 433 HB3 GLN 57 HB3 GLN 57 -1.538 12.254 2.039 434 HG2 GLN 57 HG2 GLN 57 -2.519 14.373 1.983 435 HG3 GLN 57 HG3 GLN 57 -3.872 13.247 1.942 436 HE21 GLN 57 HE21 GLN 57 -5.224 13.103 3.760 437 HE22 GLN 57 HE22 GLN 57 -5.222 14.314 4.990 438 H LEU 58 H LEU 58 -1.125 10.507 5.167 439 HA LEU 58 HA LEU 58 0.464 8.767 3.548 440 HB2 LEU 58 HB2 LEU 58 0.403 9.128 6.548 441 HB3 LEU 58 HB3 LEU 58 1.631 8.238 5.668 442 HG LEU 58 HG LEU 58 1.089 11.205 5.424 443 HD11 LEU 58 HD11 LEU 58 2.120 10.585 7.558 444 HD12 LEU 58 HD12 LEU 58 3.229 11.499 6.537 445 HD13 LEU 58 HD13 LEU 58 3.411 9.750 6.694 446 HD21 LEU 58 HD21 LEU 58 3.108 11.267 4.048 447 HD22 LEU 58 HD22 LEU 58 1.868 10.255 3.313 448 HD23 LEU 58 HD23 LEU 58 3.238 9.509 4.139 449 H ILE 59 H ILE 59 -1.990 8.187 6.064 450 HA ILE 59 HA ILE 59 -1.601 5.332 6.044 451 HB ILE 59 HB ILE 59 -3.840 6.966 7.263 452 HG12 ILE 59 HG12 ILE 59 -1.314 5.859 8.530 453 HG13 ILE 59 HG13 ILE 59 -1.585 7.551 8.125 454 HG21 ILE 59 HG21 ILE 59 -3.002 4.109 7.802 455 HG22 ILE 59 HG22 ILE 59 -4.461 4.616 6.949 456 HG23 ILE 59 HG23 ILE 59 -4.263 4.998 8.659 457 HD11 ILE 59 HD11 ILE 59 -3.431 7.632 9.720 458 HD12 ILE 59 HD12 ILE 59 -1.922 7.149 10.489 459 HD13 ILE 59 HD13 ILE 59 -3.153 5.938 10.129 460 H GLU 60 H GLU 60 -4.225 7.470 4.929 461 HA GLU 60 HA GLU 60 -6.005 5.536 4.022 462 HB2 GLU 60 HB2 GLU 60 -6.491 7.964 4.338 463 HB3 GLU 60 HB3 GLU 60 -5.603 8.307 2.863 464 HG2 GLU 60 HG2 GLU 60 -7.878 6.380 2.741 465 HG3 GLU 60 HG3 GLU 60 -8.233 8.096 2.892 466 H THR 61 H THR 61 -3.545 7.295 2.109 467 HA THR 61 HA THR 61 -4.033 6.082 -0.359 468 HB THR 61 HB THR 61 -1.362 7.061 0.691 469 HG1 THR 61 HG1 THR 61 -2.241 8.969 0.537 470 HG21 THR 61 HG21 THR 61 -1.098 5.740 -1.344 471 HG22 THR 61 HG22 THR 61 -0.835 7.448 -1.693 472 HG23 THR 61 HG23 THR 61 -2.358 6.679 -2.144 473 H THR 62 H THR 62 -2.016 4.979 2.335 474 HA THR 62 HA THR 62 -0.670 2.903 0.977 475 HB THR 62 HB THR 62 -1.295 3.163 3.929 476 HG1 THR 62 HG1 THR 62 0.197 4.658 3.704 477 HG21 THR 62 HG21 THR 62 0.548 1.551 4.260 478 HG22 THR 62 HG22 THR 62 0.638 1.312 2.515 479 HG23 THR 62 HG23 THR 62 -0.811 0.830 3.399 480 H ASN 63 H ASN 63 -3.484 2.622 3.220 481 HA ASN 63 HA ASN 63 -3.870 -0.135 2.724 482 HB2 ASN 63 HB2 ASN 63 -6.084 0.131 3.770 483 HB3 ASN 63 HB3 ASN 63 -4.823 0.920 4.706 484 HD21 ASN 63 HD21 ASN 63 -4.856 3.132 4.929 485 HD22 ASN 63 HD22 ASN 63 -6.198 4.097 4.435 486 H ARG 64 H ARG 64 -5.047 2.726 1.116 487 HA ARG 64 HA ARG 64 -6.964 1.664 -0.601 488 HB2 ARG 64 HB2 ARG 64 -6.334 4.083 -0.248 489 HB3 ARG 64 HB3 ARG 64 -4.930 3.807 -1.269 490 HG2 ARG 64 HG2 ARG 64 -6.411 3.256 -3.146 491 HG3 ARG 64 HG3 ARG 64 -7.814 3.552 -2.113 492 HD2 ARG 64 HD2 ARG 64 -6.875 5.874 -1.723 493 HD3 ARG 64 HD3 ARG 64 -5.732 5.534 -3.020 494 HE ARG 64 HE ARG 64 -7.686 5.275 -4.496 495 HH11 ARG 64 HH11 ARG 64 -8.101 6.939 -1.505 496 HH12 ARG 64 HH12 ARG 64 -9.397 7.922 -2.108 497 HH21 ARG 64 HH21 ARG 64 -9.361 6.543 -5.258 498 HH22 ARG 64 HH22 ARG 64 -10.095 7.700 -4.201 499 H ALA 65 H ALA 65 -3.482 2.156 -1.247 500 HA ALA 65 HA ALA 65 -3.324 0.948 -3.748 501 HB1 ALA 65 HB1 ALA 65 -0.930 0.732 -3.331 502 HB2 ALA 65 HB2 ALA 65 -1.191 0.995 -1.607 503 HB3 ALA 65 HB3 ALA 65 -1.523 2.289 -2.759 504 H ILE 66 H ILE 66 -2.810 -0.557 -0.554 505 HA ILE 66 HA ILE 66 -2.123 -3.122 -1.427 506 HB ILE 66 HB ILE 66 -3.607 -2.381 1.108 507 HG12 ILE 66 HG12 ILE 66 -1.497 -1.147 0.878 508 HG13 ILE 66 HG13 ILE 66 -1.376 -2.342 2.161 509 HG21 ILE 66 HG21 ILE 66 -3.754 -4.768 0.673 510 HG22 ILE 66 HG22 ILE 66 -2.667 -4.465 2.027 511 HG23 ILE 66 HG23 ILE 66 -2.008 -4.856 0.438 512 HD11 ILE 66 HD11 ILE 66 -0.249 -2.595 -0.620 513 HD12 ILE 66 HD12 ILE 66 -0.154 -3.828 0.638 514 HD13 ILE 66 HD13 ILE 66 0.657 -2.277 0.859 515 H SER 67 H SER 67 -5.323 -1.696 -0.902 516 HA SER 67 HA SER 67 -6.858 -4.052 -1.131 517 HB2 SER 67 HB2 SER 67 -7.770 -1.928 -0.258 518 HB3 SER 67 HB3 SER 67 -7.660 -1.220 -1.870 519 HG SER 67 HG SER 67 -9.167 -3.561 -1.285 520 H LEU 68 H LEU 68 -5.621 -1.829 -3.595 521 HA LEU 68 HA LEU 68 -7.001 -3.060 -5.779 522 HB2 LEU 68 HB2 LEU 68 -4.735 -1.102 -5.587 523 HB3 LEU 68 HB3 LEU 68 -5.147 -1.819 -7.132 524 HG LEU 68 HG LEU 68 -6.180 0.363 -6.918 525 HD11 LEU 68 HD11 LEU 68 -8.226 -1.851 -6.739 526 HD12 LEU 68 HD12 LEU 68 -7.375 -1.329 -8.194 527 HD13 LEU 68 HD13 LEU 68 -8.500 -0.234 -7.392 528 HD21 LEU 68 HD21 LEU 68 -6.328 0.501 -4.488 529 HD22 LEU 68 HD22 LEU 68 -7.589 -0.733 -4.481 530 HD23 LEU 68 HD23 LEU 68 -7.889 0.833 -5.236 531 H TYR 69 H TYR 69 -4.553 -4.263 -3.909 532 HA TYR 69 HA TYR 69 -3.574 -6.002 -6.076 533 HB2 TYR 69 HB2 TYR 69 -2.486 -5.368 -3.338 534 HB3 TYR 69 HB3 TYR 69 -1.945 -6.788 -4.229 535 HD1 TYR 69 HD1 TYR 69 -0.949 -6.437 -6.547 536 HD2 TYR 69 HD2 TYR 69 -1.525 -3.249 -3.779 537 HE1 TYR 69 HE1 TYR 69 0.677 -5.078 -7.785 538 HE2 TYR 69 HE2 TYR 69 0.103 -1.881 -5.017 539 HH TYR 69 HH TYR 69 1.979 -2.187 -6.553 540 H MET 70 H MET 70 -4.732 -6.222 -2.703 541 HA MET 70 HA MET 70 -4.973 -9.043 -2.701 542 HB2 MET 70 HB2 MET 70 -6.391 -7.030 -0.942 543 HB3 MET 70 HB3 MET 70 -6.228 -8.748 -0.615 544 HG2 MET 70 HG2 MET 70 -3.886 -6.870 -0.864 545 HG3 MET 70 HG3 MET 70 -4.674 -7.258 0.662 546 HE1 MET 70 HE1 MET 70 -1.845 -9.973 -1.741 547 HE2 MET 70 HE2 MET 70 -1.986 -8.220 -1.873 548 HE3 MET 70 HE3 MET 70 -3.250 -9.259 -2.531 549 H ALA 71 H ALA 71 -7.676 -6.688 -2.526 550 HA ALA 71 HA ALA 71 -9.712 -8.523 -3.096 551 HB1 ALA 71 HB1 ALA 71 -11.134 -6.577 -3.486 552 HB2 ALA 71 HB2 ALA 71 -9.709 -5.542 -3.595 553 HB3 ALA 71 HB3 ALA 71 -10.111 -6.334 -2.070 554 H ASN 72 H ASN 72 -7.618 -6.743 -5.245 555 HA ASN 72 HA ASN 72 -9.163 -7.144 -7.621 556 HB2 ASN 72 HB2 ASN 72 -7.465 -5.323 -7.299 557 HB3 ASN 72 HB3 ASN 72 -6.202 -6.547 -7.393 558 HD21 ASN 72 HD21 ASN 72 -5.286 -5.699 -9.229 559 HD22 ASN 72 HD22 ASN 72 -6.052 -5.765 -10.773 560 H LEU 73 H LEU 73 -6.200 -8.692 -6.341 561 HA LEU 73 HA LEU 73 -5.812 -10.604 -8.333 562 HB2 LEU 73 HB2 LEU 73 -4.284 -10.013 -6.386 563 HB3 LEU 73 HB3 LEU 73 -5.287 -11.035 -5.381 564 HG LEU 73 HG LEU 73 -3.151 -12.090 -6.143 565 HD11 LEU 73 HD11 LEU 73 -5.068 -13.468 -5.458 566 HD12 LEU 73 HD12 LEU 73 -4.075 -14.250 -6.686 567 HD13 LEU 73 HD13 LEU 73 -5.617 -13.518 -7.135 568 HD21 LEU 73 HD21 LEU 73 -3.021 -11.113 -8.364 569 HD22 LEU 73 HD22 LEU 73 -4.451 -12.015 -8.866 570 HD23 LEU 73 HD23 LEU 73 -2.966 -12.872 -8.452 571 H GLU 74 H GLU 74 -7.616 -10.931 -5.276 572 HA GLU 74 HA GLU 74 -8.545 -13.527 -5.573 573 HB2 GLU 74 HB2 GLU 74 -9.922 -11.165 -4.272 574 HB3 GLU 74 HB3 GLU 74 -10.412 -12.840 -4.061 575 HG2 GLU 74 HG2 GLU 74 -7.769 -11.646 -3.237 576 HG3 GLU 74 HG3 GLU 74 -9.106 -12.065 -2.168 577 H HIS 75 H HIS 75 -9.963 -10.526 -6.825 578 HA HIS 75 HA HIS 75 -12.361 -11.707 -7.783 579 HB2 HIS 75 HB2 HIS 75 -12.209 -9.321 -7.302 580 HB3 HIS 75 HB3 HIS 75 -11.008 -9.117 -8.573 581 HD1 HIS 75 HD1 HIS 75 -11.910 -8.424 -10.780 582 HD2 HIS 75 HD2 HIS 75 -14.828 -10.186 -8.407 583 HE1 HIS 75 HE1 HIS 75 -14.047 -8.208 -12.075 584 HE2 HIS 75 HE2 HIS 75 -15.818 -9.038 -10.501 585 H HIS 76 H HIS 76 -9.162 -11.383 -9.188 586 HA HIS 76 HA HIS 76 -10.095 -12.075 -11.860 587 HB2 HIS 76 HB2 HIS 76 -7.312 -11.643 -10.754 588 HB3 HIS 76 HB3 HIS 76 -7.638 -12.088 -12.427 589 HD1 HIS 76 HD1 HIS 76 -9.479 -10.291 -13.586 590 HD2 HIS 76 HD2 HIS 76 -7.070 -8.976 -10.468 591 HE1 HIS 76 HE1 HIS 76 -9.488 -7.787 -13.740 592 HE2 HIS 76 HE2 HIS 76 -7.915 -7.024 -11.936 593 H HIS 77 H HIS 77 -8.276 -13.657 -9.235 594 HA HIS 77 HA HIS 77 -7.849 -16.060 -10.735 595 HB2 HIS 77 HB2 HIS 77 -6.397 -15.322 -8.819 596 HB3 HIS 77 HB3 HIS 77 -7.711 -15.756 -7.726 597 HD1 HIS 77 HD1 HIS 77 -5.270 -17.296 -10.142 598 HD2 HIS 77 HD2 HIS 77 -7.943 -18.474 -7.186 599 HE1 HIS 77 HE1 HIS 77 -4.856 -19.744 -9.804 600 HE2 HIS 77 HE2 HIS 77 -6.375 -20.402 -7.912 601 H HIS 78 H HIS 78 -10.254 -15.055 -8.319 602 HA HIS 78 HA HIS 78 -11.631 -17.578 -8.335 603 HB2 HIS 78 HB2 HIS 78 -11.824 -16.055 -6.416 604 HB3 HIS 78 HB3 HIS 78 -12.566 -14.833 -7.441 605 HD1 HIS 78 HD1 HIS 78 -15.017 -14.760 -7.239 606 HD2 HIS 78 HD2 HIS 78 -13.539 -18.564 -6.469 607 HE1 HIS 78 HE1 HIS 78 -17.015 -16.143 -6.632 608 HE2 HIS 78 HE2 HIS 78 -16.124 -18.479 -6.403 609 H HIS 79 H HIS 79 -12.246 -18.224 -10.322 610 HA HIS 79 HA HIS 79 -12.875 -16.616 -12.502 611 HB2 HIS 79 HB2 HIS 79 -12.216 -18.979 -12.675 612 HB3 HIS 79 HB3 HIS 79 -13.754 -19.469 -11.975 613 HD1 HIS 79 HD1 HIS 79 -12.248 -18.098 -15.136 614 HD2 HIS 79 HD2 HIS 79 -15.910 -19.496 -13.753 615 HE1 HIS 79 HE1 HIS 79 -13.681 -18.359 -17.175 616 HE2 HIS 79 HE2 HIS 79 -15.935 -19.058 -16.303 617 H HIS 80 H HIS 80 -14.906 -17.526 -9.864 618 HA HIS 80 HA HIS 80 -17.051 -17.034 -9.302 619 HB2 HIS 80 HB2 HIS 80 -16.653 -14.772 -10.160 620 HB3 HIS 80 HB3 HIS 80 -17.027 -15.304 -11.797 621 HD1 HIS 80 HD1 HIS 80 -19.505 -15.618 -12.403 622 HD2 HIS 80 HD2 HIS 80 -18.888 -14.416 -8.478 623 HE1 HIS 80 HE1 HIS 80 -21.763 -14.948 -11.545 624 HE2 HIS 80 HE2 HIS 80 -21.392 -14.473 -9.107
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