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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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638340 |
6k2i ![]() ![]() |
cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 1.162 -0.264 -1.456 2 H2 MET 1 HT2 MET 1 2.538 -1.161 -1.055 3 H3 MET 1 HT3 MET 1 1.765 -1.410 -2.538 4 HA MET 1 HA MET 1 3.100 1.091 -1.703 5 HB2 MET 1 HB2 MET 1 4.001 -1.038 -3.696 6 HB3 MET 1 HB1 MET 1 4.797 0.513 -3.454 7 HG2 MET 1 HG2 MET 1 4.559 -1.682 -1.378 8 HG3 MET 1 HG1 MET 1 5.993 -1.311 -2.339 9 HE1 MET 1 HE1 MET 1 6.994 -0.089 1.293 10 HE2 MET 1 HE2 MET 1 7.484 -1.091 -0.074 11 HE3 MET 1 HE3 MET 1 6.045 -1.510 0.860 12 H GLN 2 HN GLN 2 1.414 2.409 -2.363 13 HA GLN 2 HA GLN 2 0.085 2.157 -4.908 14 HB2 GLN 2 HB2 GLN 2 0.141 4.450 -2.901 15 HB3 GLN 2 HB1 GLN 2 -0.934 4.361 -4.299 16 HG2 GLN 2 HG2 GLN 2 -1.919 2.268 -3.343 17 HG3 GLN 2 HG1 GLN 2 -0.917 2.486 -1.906 18 HE21 GLN 2 HE21 GLN 2 -1.403 4.176 -0.473 19 HE22 GLN 2 HE22 GLN 2 -2.923 4.996 -0.507 20 H LEU 3 HN LEU 3 0.392 3.431 -6.761 21 HA LEU 3 HA LEU 3 3.076 4.414 -7.147 22 HB2 LEU 3 HB2 LEU 3 0.689 4.169 -8.999 23 HB3 LEU 3 HB1 LEU 3 2.132 5.031 -9.496 24 HG LEU 3 HG LEU 3 2.287 2.834 -10.406 25 HD11 LEU 3 HD11 LEU 3 4.364 3.777 -9.556 26 HD12 LEU 3 HD12 LEU 3 4.373 2.017 -9.421 27 HD13 LEU 3 HD13 LEU 3 4.102 3.014 -7.985 28 HD21 LEU 3 HD21 LEU 3 2.168 0.770 -9.104 29 HD22 LEU 3 HD22 LEU 3 0.668 1.684 -8.969 30 HD23 LEU 3 HD23 LEU 3 1.822 1.689 -7.634 31 H GLN 4 HN GLN 4 3.610 6.276 -6.312 32 HA GLN 4 HA GLN 4 1.871 8.620 -6.643 33 HB2 GLN 4 HB2 GLN 4 4.317 8.350 -4.838 34 HB3 GLN 4 HB1 GLN 4 3.142 9.668 -4.830 35 HG2 GLN 4 HG2 GLN 4 1.400 8.078 -4.033 36 HG3 GLN 4 HG1 GLN 4 2.600 6.784 -4.015 37 HE21 GLN 4 HE21 GLN 4 4.279 6.856 -2.445 38 HE22 GLN 4 HE22 GLN 4 4.095 7.777 -0.994 39 H LEU 5 HN LEU 5 2.348 9.629 -8.502 40 HA LEU 5 HA LEU 5 4.975 9.227 -9.756 41 HB2 LEU 5 HB2 LEU 5 2.358 10.325 -10.858 42 HB3 LEU 5 HB1 LEU 5 3.814 10.068 -11.806 43 HG LEU 5 HG LEU 5 2.187 7.875 -10.445 44 HD11 LEU 5 HD11 LEU 5 1.548 7.194 -12.717 45 HD12 LEU 5 HD12 LEU 5 2.397 8.591 -13.384 46 HD13 LEU 5 HD13 LEU 5 0.993 8.824 -12.341 47 HD21 LEU 5 HD21 LEU 5 4.560 7.260 -10.529 48 HD22 LEU 5 HD22 LEU 5 4.623 7.623 -12.256 49 HD23 LEU 5 HD23 LEU 5 3.632 6.284 -11.669 50 H VAL 6 HN VAL 6 6.430 10.708 -9.131 51 HA VAL 6 HA VAL 6 5.659 13.517 -8.627 52 HB VAL 6 HB VAL 6 8.306 12.099 -8.002 53 HG11 VAL 6 HG11 VAL 6 8.788 14.058 -6.559 54 HG12 VAL 6 HG12 VAL 6 7.288 14.819 -7.090 55 HG13 VAL 6 HG13 VAL 6 8.588 14.535 -8.249 56 HG21 VAL 6 HG21 VAL 6 6.465 11.115 -6.691 57 HG22 VAL 6 HG22 VAL 6 5.996 12.718 -6.122 58 HG23 VAL 6 HG23 VAL 6 7.553 12.035 -5.647 59 H GLU 7 HN GLU 7 5.736 14.665 -10.465 60 HA GLU 7 HA GLU 7 7.552 13.919 -12.648 61 HB2 GLU 7 HB2 GLU 7 5.150 15.792 -12.648 62 HB3 GLU 7 HB1 GLU 7 6.067 15.278 -14.067 63 HG2 GLU 7 HG2 GLU 7 5.393 12.936 -13.638 64 HG3 GLU 7 HG1 GLU 7 4.445 13.465 -12.250 65 H SER 8 HN SER 8 8.842 15.414 -13.720 66 HA SER 8 HA SER 8 9.339 18.068 -12.627 67 HB2 SER 8 HB2 SER 8 11.796 17.509 -12.268 68 HB3 SER 8 HB1 SER 8 10.706 16.724 -11.125 69 HG SER 8 HG SER 8 10.833 14.844 -12.432 70 H GLY 9 HN GLY 9 10.881 19.280 -13.971 71 HA2 GLY 9 HA2 GLY 9 12.087 19.604 -16.020 72 HA3 GLY 9 HA1 GLY 9 11.183 18.283 -16.752 73 H GLY 10 HN GLY 10 8.970 19.979 -14.985 74 HA2 GLY 10 HA2 GLY 10 7.630 21.136 -17.210 75 HA3 GLY 10 HA1 GLY 10 7.224 21.372 -15.518 76 H GLY 11 HN GLY 11 8.109 22.969 -18.244 77 HA2 GLY 11 HA2 GLY 11 8.612 25.474 -16.941 78 HA3 GLY 11 HA1 GLY 11 10.089 24.812 -17.649 79 H LEU 12 HN LEU 12 9.885 26.851 -18.945 80 HA LEU 12 HA LEU 12 7.940 26.642 -21.147 81 HB2 LEU 12 HB2 LEU 12 7.918 28.725 -19.764 82 HB3 LEU 12 HB1 LEU 12 9.541 29.060 -20.306 83 HG LEU 12 HG LEU 12 7.441 28.747 -22.430 84 HD11 LEU 12 HD11 LEU 12 6.730 31.084 -22.248 85 HD12 LEU 12 HD12 LEU 12 7.673 31.269 -20.766 86 HD13 LEU 12 HD13 LEU 12 6.297 30.165 -20.805 87 HD21 LEU 12 HD21 LEU 12 9.754 29.136 -23.131 88 HD22 LEU 12 HD22 LEU 12 9.822 30.619 -22.176 89 HD23 LEU 12 HD23 LEU 12 8.740 30.512 -23.564 90 H VAL 13 HN VAL 13 8.632 25.945 -23.010 91 HA VAL 13 HA VAL 13 11.387 26.515 -23.937 92 HB VAL 13 HB VAL 13 11.202 24.530 -25.437 93 HG11 VAL 13 HG11 VAL 13 10.794 23.826 -22.510 94 HG12 VAL 13 HG12 VAL 13 12.326 24.270 -23.265 95 HG13 VAL 13 HG13 VAL 13 11.515 22.774 -23.732 96 HG21 VAL 13 HG21 VAL 13 9.413 22.840 -25.136 97 HG22 VAL 13 HG22 VAL 13 8.746 24.384 -25.671 98 HG23 VAL 13 HG23 VAL 13 8.602 23.900 -23.980 99 H GLN 14 HN GLN 14 11.508 26.879 -26.285 100 HA GLN 14 HA GLN 14 9.233 28.366 -27.342 101 HB2 GLN 14 HB2 GLN 14 10.713 29.211 -29.040 102 HB3 GLN 14 HB1 GLN 14 11.569 29.307 -27.512 103 HG2 GLN 14 HG2 GLN 14 12.005 27.174 -29.623 104 HG3 GLN 14 HG1 GLN 14 12.993 28.617 -29.439 105 HE21 GLN 14 HE21 GLN 14 13.902 25.924 -29.386 106 HE22 GLN 14 HE22 GLN 14 14.601 25.645 -27.831 107 H ALA 15 HN ALA 15 8.367 27.956 -29.445 108 HA ALA 15 HA ALA 15 7.689 25.288 -30.042 109 HB1 ALA 15 HB1 ALA 15 6.249 27.204 -30.622 110 HB2 ALA 15 HB2 ALA 15 6.595 26.226 -32.049 111 HB3 ALA 15 HB3 ALA 15 7.441 27.756 -31.805 112 H GLY 16 HN GLY 16 9.037 23.781 -30.853 113 HA2 GLY 16 HA2 GLY 16 10.261 22.941 -32.786 114 HA3 GLY 16 HA1 GLY 16 11.044 24.510 -32.942 115 H GLY 17 HN GLY 17 11.160 24.333 -29.797 116 HA2 GLY 17 HA2 GLY 17 13.800 23.115 -29.618 117 HA3 GLY 17 HA1 GLY 17 12.918 23.929 -28.331 118 H SER 18 HN SER 18 14.245 21.659 -27.673 119 HA SER 18 HA SER 18 12.228 19.502 -27.527 120 HB2 SER 18 HB2 SER 18 14.172 18.052 -26.858 121 HB3 SER 18 HB1 SER 18 14.363 18.769 -28.457 122 HG SER 18 HG SER 18 15.650 19.470 -26.042 123 H LEU 19 HN LEU 19 11.416 18.864 -25.608 124 HA LEU 19 HA LEU 19 12.531 19.822 -23.061 125 HB2 LEU 19 HB2 LEU 19 10.519 21.165 -23.659 126 HB3 LEU 19 HB1 LEU 19 9.576 19.693 -23.797 127 HG LEU 19 HG LEU 19 9.821 19.266 -21.382 128 HD11 LEU 19 HD11 LEU 19 12.033 20.208 -20.982 129 HD12 LEU 19 HD12 LEU 19 10.858 20.926 -19.885 130 HD13 LEU 19 HD13 LEU 19 11.424 21.839 -21.284 131 HD21 LEU 19 HD21 LEU 19 8.855 22.086 -21.956 132 HD22 LEU 19 HD22 LEU 19 8.453 21.125 -20.531 133 HD23 LEU 19 HD23 LEU 19 7.906 20.606 -22.124 134 H ARG 20 HN ARG 20 12.814 18.227 -21.627 135 HA ARG 20 HA ARG 20 11.667 15.546 -22.122 136 HB2 ARG 20 HB2 ARG 20 14.158 15.683 -22.273 137 HB3 ARG 20 HB1 ARG 20 14.216 16.293 -20.622 138 HG2 ARG 20 HG2 ARG 20 13.145 14.111 -19.877 139 HG3 ARG 20 HG1 ARG 20 13.338 13.527 -21.533 140 HD2 ARG 20 HD2 ARG 20 15.170 12.733 -20.103 141 HD3 ARG 20 HD1 ARG 20 15.783 13.819 -21.357 142 HE ARG 20 HE ARG 20 15.170 15.091 -18.822 143 HH11 ARG 20 HH11 ARG 20 17.713 13.573 -20.714 144 HH12 ARG 20 HH12 ARG 20 18.987 14.293 -19.784 145 HH21 ARG 20 HH21 ARG 20 16.830 16.015 -17.619 146 HH22 ARG 20 HH22 ARG 20 18.484 15.686 -18.029 147 H LEU 21 HN LEU 21 10.221 14.893 -20.665 148 HA LEU 21 HA LEU 21 10.143 16.027 -17.963 149 HB2 LEU 21 HB2 LEU 21 8.140 14.369 -19.550 150 HB3 LEU 21 HB1 LEU 21 7.955 14.657 -17.832 151 HG LEU 21 HG LEU 21 6.516 16.192 -18.993 152 HD11 LEU 21 HD11 LEU 21 8.931 17.731 -18.016 153 HD12 LEU 21 HD12 LEU 21 7.612 17.104 -17.022 154 HD13 LEU 21 HD13 LEU 21 7.292 18.360 -18.213 155 HD21 LEU 21 HD21 LEU 21 7.275 17.814 -20.663 156 HD22 LEU 21 HD22 LEU 21 7.557 16.158 -21.200 157 HD23 LEU 21 HD23 LEU 21 8.905 17.130 -20.605 158 H SER 22 HN SER 22 10.249 14.696 -16.167 159 HA SER 22 HA SER 22 10.913 11.844 -16.486 160 HB2 SER 22 HB2 SER 22 12.709 12.193 -14.686 161 HB3 SER 22 HB1 SER 22 13.095 12.847 -16.276 162 HG SER 22 HG SER 22 11.851 14.496 -14.368 163 H CYS 23 HN CYS 23 9.671 10.688 -15.160 164 HA CYS 23 HA CYS 23 8.275 11.978 -12.897 165 HB2 CYS 23 HB2 CYS 23 6.768 11.433 -14.789 166 HB3 CYS 23 HB1 CYS 23 7.277 9.748 -14.721 167 HG CYS 23 HG CYS 23 4.717 10.953 -13.348 168 H VAL 24 HN VAL 24 9.447 11.332 -11.181 169 HA VAL 24 HA VAL 24 10.570 8.660 -10.967 170 HB VAL 24 HB VAL 24 10.557 10.851 -8.845 171 HG11 VAL 24 HG11 VAL 24 12.579 9.702 -7.987 172 HG12 VAL 24 HG12 VAL 24 12.405 8.470 -9.239 173 HG13 VAL 24 HG13 VAL 24 11.171 8.634 -7.988 174 HG21 VAL 24 HG21 VAL 24 11.551 11.791 -10.902 175 HG22 VAL 24 HG22 VAL 24 12.655 10.418 -11.015 176 HG23 VAL 24 HG23 VAL 24 12.789 11.549 -9.666 177 H ALA 25 HN ALA 25 9.477 6.993 -10.056 178 HA ALA 25 HA ALA 25 6.809 7.465 -8.984 179 HB1 ALA 25 HB1 ALA 25 6.501 5.035 -9.271 180 HB2 ALA 25 HB2 ALA 25 8.204 4.864 -9.715 181 HB3 ALA 25 HB3 ALA 25 7.107 5.778 -10.752 182 H SER 26 HN SER 26 7.036 8.162 -6.929 183 HA SER 26 HA SER 26 7.109 8.092 -4.681 184 HB2 SER 26 HB2 SER 26 7.209 5.073 -5.065 185 HB3 SER 26 HB1 SER 26 6.694 5.918 -3.606 186 HG SER 26 HG SER 26 5.354 6.759 -5.828 187 H GLY 27 HN GLY 27 9.576 8.509 -5.976 188 HA2 GLY 27 HA2 GLY 27 11.750 8.906 -5.224 189 HA3 GLY 27 HA1 GLY 27 11.488 7.796 -3.881 190 H ARG 28 HN ARG 28 10.969 5.457 -4.793 191 HA ARG 28 HA ARG 28 12.073 4.524 -7.205 192 HB2 ARG 28 HB2 ARG 28 14.242 5.073 -6.120 193 HB3 ARG 28 HB1 ARG 28 13.828 4.075 -4.737 194 HG2 ARG 28 HG2 ARG 28 14.046 2.060 -6.008 195 HG3 ARG 28 HG1 ARG 28 14.105 2.938 -7.539 196 HD2 ARG 28 HD2 ARG 28 16.335 2.079 -6.765 197 HD3 ARG 28 HD1 ARG 28 16.300 3.824 -7.027 198 HE ARG 28 HE ARG 28 16.205 2.504 -4.365 199 HH11 ARG 28 HH11 ARG 28 17.131 5.271 -6.336 200 HH12 ARG 28 HH12 ARG 28 18.011 6.038 -5.056 201 HH21 ARG 28 HH21 ARG 28 17.379 3.547 -2.692 202 HH22 ARG 28 HH22 ARG 28 18.154 5.069 -3.004 203 H THR 29 HN THR 29 9.895 3.750 -6.967 204 HA THR 29 HA THR 29 9.708 1.178 -5.545 205 HB THR 29 HB THR 29 7.478 3.268 -5.469 206 HG1 THR 29 HG1 THR 29 9.562 2.663 -3.677 207 HG21 THR 29 HG21 THR 29 6.669 0.917 -5.359 208 HG22 THR 29 HG22 THR 29 6.421 1.756 -3.829 209 HG23 THR 29 HG23 THR 29 7.754 0.615 -3.995 210 H PHE 30 HN PHE 30 8.309 -0.308 -6.516 211 HA PHE 30 HA PHE 30 7.288 0.298 -9.217 212 HB2 PHE 30 HB2 PHE 30 8.145 -1.854 -10.024 213 HB3 PHE 30 HB1 PHE 30 9.472 -0.914 -9.355 214 HD1 PHE 30 HD1 PHE 30 10.108 -1.436 -6.840 215 HD2 PHE 30 HD2 PHE 30 7.896 -4.104 -9.342 216 HE1 PHE 30 HE1 PHE 30 10.703 -3.314 -5.373 217 HE2 PHE 30 HE2 PHE 30 8.495 -5.976 -7.867 218 HZ PHE 30 HZ PHE 30 9.897 -5.584 -5.882 219 H ARG 31 HN ARG 31 5.252 -0.384 -9.559 220 HA ARG 31 HA ARG 31 4.322 -2.954 -8.801 221 HB2 ARG 31 HB2 ARG 31 3.877 -1.520 -6.659 222 HB3 ARG 31 HB1 ARG 31 2.633 -0.707 -7.602 223 HG2 ARG 31 HG2 ARG 31 1.540 -2.940 -7.971 224 HG3 ARG 31 HG1 ARG 31 2.746 -3.664 -6.907 225 HD2 ARG 31 HD2 ARG 31 1.932 -2.200 -5.059 226 HD3 ARG 31 HD1 ARG 31 0.683 -1.568 -6.143 227 HE ARG 31 HE ARG 31 0.892 -4.432 -5.399 228 HH11 ARG 31 HH11 ARG 31 -1.104 -1.572 -5.786 229 HH12 ARG 31 HH12 ARG 31 -2.586 -2.438 -5.555 230 HH21 ARG 31 HH21 ARG 31 -1.058 -5.546 -5.114 231 HH22 ARG 31 HH22 ARG 31 -2.562 -4.680 -5.179 232 H SER 32 HN SER 32 4.689 -0.851 -11.009 233 HA SER 32 HA SER 32 1.946 -0.665 -12.090 234 HB2 SER 32 HB2 SER 32 3.113 1.503 -11.574 235 HB3 SER 32 HB1 SER 32 4.354 1.088 -12.755 236 HG SER 32 HG SER 32 2.774 2.397 -13.687 237 H ASN 33 HN ASN 33 1.655 -2.289 -13.480 238 HA ASN 33 HA ASN 33 3.777 -3.331 -15.207 239 HB2 ASN 33 HB2 ASN 33 0.862 -4.165 -14.874 240 HB3 ASN 33 HB1 ASN 33 2.041 -5.008 -15.875 241 HD21 ASN 33 HD21 ASN 33 0.510 -6.065 -13.649 242 HD22 ASN 33 HD22 ASN 33 1.658 -6.618 -12.481 243 H ALA 34 HN ALA 34 1.092 -1.147 -15.338 244 HA ALA 34 HA ALA 34 1.424 -0.753 -18.259 245 HB1 ALA 34 HB1 ALA 34 -1.013 -0.358 -18.449 246 HB2 ALA 34 HB2 ALA 34 -1.222 -0.761 -16.741 247 HB3 ALA 34 HB3 ALA 34 -0.677 -1.994 -17.880 248 H MET 35 HN MET 35 1.958 1.308 -18.689 249 HA MET 35 HA MET 35 1.265 3.515 -16.843 250 HB2 MET 35 HB2 MET 35 4.018 3.148 -18.120 251 HB3 MET 35 HB1 MET 35 3.521 4.485 -17.090 252 HG2 MET 35 HG2 MET 35 3.228 2.844 -15.226 253 HG3 MET 35 HG1 MET 35 3.916 1.603 -16.274 254 HE1 MET 35 HE1 MET 35 6.050 3.678 -17.819 255 HE2 MET 35 HE2 MET 35 6.421 1.997 -17.435 256 HE3 MET 35 HE3 MET 35 7.507 3.283 -16.910 257 H GLY 36 HN GLY 36 1.625 5.676 -17.920 258 HA2 GLY 36 HA2 GLY 36 1.584 5.709 -20.834 259 HA3 GLY 36 HA1 GLY 36 0.081 6.175 -20.052 260 H TRP 37 HN TRP 37 1.042 7.972 -21.616 261 HA TRP 37 HA TRP 37 1.698 10.147 -19.759 262 HB2 TRP 37 HB2 TRP 37 3.004 9.702 -22.491 263 HB3 TRP 37 HB1 TRP 37 2.962 11.279 -21.710 264 HD1 TRP 37 HD1 TRP 37 4.858 7.992 -21.634 265 HE1 TRP 37 HE1 TRP 37 6.793 8.180 -19.959 266 HE3 TRP 37 HE3 TRP 37 3.578 12.414 -19.373 267 HZ2 TRP 37 HZ2 TRP 37 7.659 9.937 -17.935 268 HZ3 TRP 37 HZ3 TRP 37 5.023 13.279 -17.571 269 HH2 TRP 37 HH2 TRP 37 7.027 12.061 -16.867 270 H PHE 38 HN PHE 38 0.325 11.795 -20.006 271 HA PHE 38 HA PHE 38 -1.557 11.882 -22.276 272 HB2 PHE 38 HB2 PHE 38 -2.285 11.768 -19.308 273 HB3 PHE 38 HB1 PHE 38 -3.411 12.281 -20.552 274 HD1 PHE 38 HD1 PHE 38 -1.411 9.339 -19.378 275 HD2 PHE 38 HD2 PHE 38 -4.704 10.674 -21.756 276 HE1 PHE 38 HE1 PHE 38 -2.134 7.009 -19.700 277 HE2 PHE 38 HE2 PHE 38 -5.411 8.341 -22.075 278 HZ PHE 38 HZ PHE 38 -4.128 6.506 -21.053 279 H ARG 39 HN ARG 39 -2.483 13.967 -22.602 280 HA ARG 39 HA ARG 39 -1.145 16.224 -21.209 281 HB2 ARG 39 HB2 ARG 39 -1.602 17.586 -23.160 282 HB3 ARG 39 HB1 ARG 39 -0.848 16.093 -23.706 283 HG2 ARG 39 HG2 ARG 39 -3.057 15.216 -24.392 284 HG3 ARG 39 HG1 ARG 39 -3.822 16.702 -23.827 285 HD2 ARG 39 HD2 ARG 39 -3.570 16.779 -26.227 286 HD3 ARG 39 HD1 ARG 39 -2.505 17.989 -25.502 287 HE ARG 39 HE ARG 39 -1.483 15.322 -26.247 288 HH11 ARG 39 HH11 ARG 39 -1.346 18.821 -26.673 289 HH12 ARG 39 HH12 ARG 39 0.147 18.775 -27.564 290 HH21 ARG 39 HH21 ARG 39 0.473 15.305 -27.481 291 HH22 ARG 39 HH22 ARG 39 1.153 16.803 -28.025 292 H GLN 40 HN GLN 40 -2.426 17.833 -20.306 293 HA GLN 40 HA GLN 40 -5.354 17.467 -20.233 294 HB2 GLN 40 HB2 GLN 40 -3.653 16.678 -18.117 295 HB3 GLN 40 HB1 GLN 40 -4.180 18.271 -17.611 296 HG2 GLN 40 HG2 GLN 40 -6.188 16.178 -18.458 297 HG3 GLN 40 HG1 GLN 40 -5.506 16.157 -16.837 298 HE21 GLN 40 HE21 GLN 40 -7.560 16.476 -15.950 299 HE22 GLN 40 HE22 GLN 40 -8.345 18.009 -15.996 300 H ALA 41 HN ALA 41 -6.478 19.444 -19.931 301 HA ALA 41 HA ALA 41 -4.963 21.970 -19.947 302 HB1 ALA 41 HB1 ALA 41 -6.828 21.154 -22.220 303 HB2 ALA 41 HB2 ALA 41 -5.075 21.295 -22.327 304 HB3 ALA 41 HB3 ALA 41 -6.050 22.733 -22.034 305 HA PRO 42 HA PRO 42 -8.486 23.377 -17.534 306 HB2 PRO 42 HB2 PRO 42 -8.897 25.959 -18.525 307 HB3 PRO 42 HB1 PRO 42 -7.666 25.522 -17.333 308 HG2 PRO 42 HG2 PRO 42 -7.386 25.854 -20.313 309 HG3 PRO 42 HG1 PRO 42 -6.309 26.422 -19.021 310 HD2 PRO 42 HD2 PRO 42 -5.698 24.224 -20.431 311 HD3 PRO 42 HD1 PRO 42 -5.380 24.283 -18.678 312 H GLY 43 HN GLY 43 -10.258 22.202 -18.022 313 HA2 GLY 43 HA2 GLY 43 -12.513 22.150 -18.771 314 HA3 GLY 43 HA1 GLY 43 -12.079 23.096 -20.184 315 H LYS 44 HN LYS 44 -9.655 21.076 -20.296 316 HA LYS 44 HA LYS 44 -11.084 19.017 -21.888 317 HB2 LYS 44 HB2 LYS 44 -8.225 19.997 -22.249 318 HB3 LYS 44 HB1 LYS 44 -9.081 18.866 -23.289 319 HG2 LYS 44 HG2 LYS 44 -9.997 21.730 -22.921 320 HG3 LYS 44 HG1 LYS 44 -8.780 21.289 -24.113 321 HD2 LYS 44 HD2 LYS 44 -10.797 21.380 -25.331 322 HD3 LYS 44 HD1 LYS 44 -10.532 19.661 -25.074 323 HE2 LYS 44 HE2 LYS 44 -12.237 19.583 -23.378 324 HE3 LYS 44 HE1 LYS 44 -12.372 21.336 -23.332 325 HZ1 LYS 44 HZ1 LYS 44 -14.188 20.395 -24.546 326 HZ2 LYS 44 HZ2 LYS 44 -13.146 19.562 -25.582 327 HZ3 LYS 44 HZ3 LYS 44 -13.209 21.251 -25.625 328 H GLU 45 HN GLU 45 -10.809 16.955 -21.348 329 HA GLU 45 HA GLU 45 -9.391 16.118 -19.004 330 HB2 GLU 45 HB2 GLU 45 -10.786 14.471 -21.152 331 HB3 GLU 45 HB1 GLU 45 -10.229 13.844 -19.599 332 HG2 GLU 45 HG2 GLU 45 -11.800 15.353 -18.429 333 HG3 GLU 45 HG1 GLU 45 -12.347 15.985 -19.983 334 H ARG 46 HN ARG 46 -8.028 14.075 -19.101 335 HA ARG 46 HA ARG 46 -5.633 14.682 -20.464 336 HB2 ARG 46 HB2 ARG 46 -4.632 12.785 -19.373 337 HB3 ARG 46 HB1 ARG 46 -5.644 13.635 -18.232 338 HG2 ARG 46 HG2 ARG 46 -6.477 11.066 -19.621 339 HG3 ARG 46 HG1 ARG 46 -5.659 11.117 -18.060 340 HD2 ARG 46 HD2 ARG 46 -7.528 12.371 -17.098 341 HD3 ARG 46 HD1 ARG 46 -8.346 12.390 -18.663 342 HE ARG 46 HE ARG 46 -7.960 9.733 -18.141 343 HH11 ARG 46 HH11 ARG 46 -9.505 12.338 -16.337 344 HH12 ARG 46 HH12 ARG 46 -10.695 11.293 -15.631 345 HH21 ARG 46 HH21 ARG 46 -9.538 8.394 -17.217 346 HH22 ARG 46 HH22 ARG 46 -10.716 9.061 -16.133 347 H GLU 47 HN GLU 47 -5.008 14.211 -22.508 348 HA GLU 47 HA GLU 47 -6.465 12.174 -24.062 349 HB2 GLU 47 HB2 GLU 47 -6.611 14.446 -24.976 350 HB3 GLU 47 HB1 GLU 47 -4.865 14.613 -24.960 351 HG2 GLU 47 HG2 GLU 47 -5.745 14.243 -27.228 352 HG3 GLU 47 HG1 GLU 47 -4.643 12.957 -26.735 353 H PHE 48 HN PHE 48 -5.388 10.567 -25.072 354 HA PHE 48 HA PHE 48 -3.030 9.551 -23.915 355 HB2 PHE 48 HB2 PHE 48 -4.918 8.203 -24.823 356 HB3 PHE 48 HB1 PHE 48 -4.489 8.699 -26.453 357 HD1 PHE 48 HD1 PHE 48 -3.341 6.741 -23.507 358 HD2 PHE 48 HD2 PHE 48 -2.765 7.529 -27.669 359 HE1 PHE 48 HE1 PHE 48 -1.852 4.796 -23.675 360 HE2 PHE 48 HE2 PHE 48 -1.274 5.582 -27.826 361 HZ PHE 48 HZ PHE 48 -0.813 4.217 -25.829 362 H VAL 49 HN VAL 49 -1.043 10.265 -24.281 363 HA VAL 49 HA VAL 49 -0.166 11.216 -26.932 364 HB VAL 49 HB VAL 49 1.240 11.457 -24.223 365 HG11 VAL 49 HG11 VAL 49 2.788 13.042 -25.346 366 HG12 VAL 49 HG12 VAL 49 2.009 12.708 -26.893 367 HG13 VAL 49 HG13 VAL 49 2.887 11.427 -26.055 368 HG21 VAL 49 HG21 VAL 49 -0.265 13.583 -25.799 369 HG22 VAL 49 HG22 VAL 49 0.646 13.866 -24.313 370 HG23 VAL 49 HG23 VAL 49 -0.792 12.843 -24.286 371 H ALA 50 HN ALA 50 0.702 8.967 -24.293 372 HA ALA 50 HA ALA 50 2.036 7.123 -26.112 373 HB1 ALA 50 HB1 ALA 50 3.594 8.475 -23.875 374 HB2 ALA 50 HB2 ALA 50 3.819 8.756 -25.602 375 HB3 ALA 50 HB3 ALA 50 4.191 7.175 -24.915 376 H ALA 51 HN ALA 51 2.817 5.133 -24.942 377 HA ALA 51 HA ALA 51 2.010 4.741 -22.201 378 HB1 ALA 51 HB1 ALA 51 -0.080 4.148 -23.356 379 HB2 ALA 51 HB2 ALA 51 0.636 2.752 -22.551 380 HB3 ALA 51 HB3 ALA 51 0.784 2.933 -24.299 381 H ILE 52 HN ILE 52 3.165 3.292 -21.145 382 HA ILE 52 HA ILE 52 5.162 1.616 -22.549 383 HB ILE 52 HB ILE 52 5.601 3.185 -19.960 384 HG12 ILE 52 HG12 ILE 52 6.928 3.622 -22.669 385 HG13 ILE 52 HG11 ILE 52 5.670 4.651 -21.990 386 HG21 ILE 52 HG21 ILE 52 7.549 1.399 -21.465 387 HG22 ILE 52 HG22 ILE 52 6.771 1.012 -19.928 388 HG23 ILE 52 HG23 ILE 52 7.918 2.347 -20.024 389 HD11 ILE 52 HD11 ILE 52 8.411 4.215 -20.796 390 HD12 ILE 52 HD12 ILE 52 7.154 5.283 -20.165 391 HD13 ILE 52 HD13 ILE 52 7.890 5.613 -21.726 392 H ARG 53 HN ARG 53 4.886 -0.474 -22.009 393 HA ARG 53 HA ARG 53 3.767 -1.182 -19.356 394 HB2 ARG 53 HB2 ARG 53 3.491 -2.552 -22.052 395 HB3 ARG 53 HB1 ARG 53 3.238 -3.434 -20.548 396 HG2 ARG 53 HG2 ARG 53 1.485 -1.725 -19.927 397 HG3 ARG 53 HG1 ARG 53 1.648 -1.050 -21.551 398 HD2 ARG 53 HD2 ARG 53 0.790 -3.033 -22.564 399 HD3 ARG 53 HD1 ARG 53 0.995 -3.975 -21.081 400 HE ARG 53 HE ARG 53 -0.833 -1.728 -20.886 401 HH11 ARG 53 HH11 ARG 53 -0.570 -5.166 -21.579 402 HH12 ARG 53 HH12 ARG 53 -2.213 -5.482 -21.146 403 HH21 ARG 53 HH21 ARG 53 -2.951 -2.184 -20.299 404 HH22 ARG 53 HH22 ARG 53 -3.566 -3.806 -20.438 405 H TRP 54 HN TRP 54 4.451 -3.520 -18.760 406 HA TRP 54 HA TRP 54 7.280 -3.721 -18.497 407 HB2 TRP 54 HB2 TRP 54 5.808 -4.700 -16.801 408 HB3 TRP 54 HB1 TRP 54 5.040 -5.737 -17.998 409 HD1 TRP 54 HD1 TRP 54 8.522 -5.304 -16.307 410 HE1 TRP 54 HE1 TRP 54 9.668 -7.600 -16.248 411 HE3 TRP 54 HE3 TRP 54 5.017 -8.053 -18.832 412 HZ2 TRP 54 HZ2 TRP 54 9.180 -10.215 -17.142 413 HZ3 TRP 54 HZ3 TRP 54 5.437 -10.457 -19.187 414 HH2 TRP 54 HH2 TRP 54 7.481 -11.510 -18.352 415 H SER 55 HN SER 55 8.268 -3.717 -20.492 416 HA SER 55 HA SER 55 9.231 -4.499 -22.378 417 HB2 SER 55 HB2 SER 55 9.630 -6.523 -20.933 418 HB3 SER 55 HB1 SER 55 8.146 -7.233 -21.561 419 HG SER 55 HG SER 55 10.052 -7.954 -22.653 420 H GLY 56 HN GLY 56 8.611 -6.169 -24.419 421 HA2 GLY 56 HA2 GLY 56 6.982 -6.884 -25.965 422 HA3 GLY 56 HA1 GLY 56 5.784 -5.881 -25.172 423 H GLY 57 HN GLY 57 7.938 -3.657 -25.270 424 HA2 GLY 57 HA2 GLY 57 8.885 -2.702 -27.510 425 HA3 GLY 57 HA1 GLY 57 7.176 -2.586 -27.915 426 H SER 58 HN SER 58 5.832 -1.556 -26.116 427 HA SER 58 HA SER 58 5.268 0.090 -24.689 428 HB2 SER 58 HB2 SER 58 8.171 -0.095 -23.808 429 HB3 SER 58 HB1 SER 58 6.877 0.686 -22.906 430 HG SER 58 HG SER 58 7.355 -1.539 -22.289 431 H THR 59 HN THR 59 4.909 1.428 -26.581 432 HA THR 59 HA THR 59 6.373 3.852 -26.888 433 HB THR 59 HB THR 59 6.967 3.398 -29.393 434 HG1 THR 59 HG1 THR 59 5.874 1.319 -29.402 435 HG21 THR 59 HG21 THR 59 8.693 1.997 -27.324 436 HG22 THR 59 HG22 THR 59 8.762 3.715 -27.732 437 HG23 THR 59 HG23 THR 59 9.202 2.499 -28.935 438 H TYR 60 HN TYR 60 4.826 5.252 -27.409 439 HA TYR 60 HA TYR 60 3.024 4.810 -29.652 440 HB2 TYR 60 HB2 TYR 60 1.968 5.494 -26.865 441 HB3 TYR 60 HB1 TYR 60 1.038 5.712 -28.338 442 HD1 TYR 60 HD1 TYR 60 2.436 3.209 -26.001 443 HD2 TYR 60 HD2 TYR 60 -0.040 3.791 -29.434 444 HE1 TYR 60 HE1 TYR 60 1.548 0.939 -25.742 445 HE2 TYR 60 HE2 TYR 60 -0.933 1.509 -29.169 446 HH TYR 60 HH TYR 60 -0.424 -0.334 -26.324 447 H TYR 61 HN TYR 61 2.358 6.765 -30.591 448 HA TYR 61 HA TYR 61 2.735 9.349 -29.433 449 HB2 TYR 61 HB2 TYR 61 4.417 10.175 -31.201 450 HB3 TYR 61 HB1 TYR 61 5.083 9.152 -29.932 451 HD1 TYR 61 HD1 TYR 61 4.239 9.318 -33.536 452 HD2 TYR 61 HD2 TYR 61 5.957 6.904 -30.458 453 HE1 TYR 61 HE1 TYR 61 5.184 7.819 -35.235 454 HE2 TYR 61 HE2 TYR 61 6.912 5.406 -32.166 455 HH TYR 61 HH TYR 61 7.107 6.244 -35.438 456 H ALA 62 HN ALA 62 1.988 11.054 -30.848 457 HA ALA 62 HA ALA 62 -0.126 10.244 -32.640 458 HB1 ALA 62 HB1 ALA 62 -0.431 12.148 -31.098 459 HB2 ALA 62 HB2 ALA 62 -0.629 12.657 -32.775 460 HB3 ALA 62 HB3 ALA 62 0.864 13.029 -31.912 461 H ASP 63 HN ASP 63 -0.343 11.048 -34.827 462 HA ASP 63 HA ASP 63 1.868 10.495 -36.502 463 HB2 ASP 63 HB2 ASP 63 -0.537 10.206 -37.154 464 HB3 ASP 63 HB1 ASP 63 -0.717 11.953 -37.206 465 H SER 64 HN SER 64 0.466 13.507 -35.351 466 HA SER 64 HA SER 64 1.864 15.316 -37.039 467 HB2 SER 64 HB2 SER 64 0.512 15.788 -34.361 468 HB3 SER 64 HB1 SER 64 0.970 17.041 -35.516 469 HG SER 64 HG SER 64 -1.251 16.380 -35.655 470 H VAL 65 HN VAL 65 2.870 13.555 -34.273 471 HA VAL 65 HA VAL 65 5.283 15.249 -33.911 472 HB VAL 65 HB VAL 65 5.315 14.681 -31.524 473 HG11 VAL 65 HG11 VAL 65 2.618 15.849 -32.327 474 HG12 VAL 65 HG12 VAL 65 4.129 16.742 -32.154 475 HG13 VAL 65 HG13 VAL 65 3.375 16.010 -30.737 476 HG21 VAL 65 HG21 VAL 65 4.253 12.472 -31.565 477 HG22 VAL 65 HG22 VAL 65 2.703 13.191 -31.996 478 HG23 VAL 65 HG23 VAL 65 3.413 13.515 -30.412 479 H LYS 66 HN LYS 66 4.618 12.824 -35.555 480 HA LYS 66 HA LYS 66 5.454 10.394 -34.655 481 HB2 LYS 66 HB2 LYS 66 4.386 10.649 -36.825 482 HB3 LYS 66 HB1 LYS 66 5.746 11.580 -37.441 483 HG2 LYS 66 HG2 LYS 66 7.191 9.574 -37.265 484 HG3 LYS 66 HG1 LYS 66 5.823 8.636 -36.671 485 HD2 LYS 66 HD2 LYS 66 5.746 10.017 -39.377 486 HD3 LYS 66 HD1 LYS 66 6.493 8.434 -39.179 487 HE2 LYS 66 HE2 LYS 66 4.197 8.212 -39.990 488 HE3 LYS 66 HE1 LYS 66 4.349 7.513 -38.382 489 HZ1 LYS 66 HZ1 LYS 66 3.298 9.418 -37.451 490 HZ2 LYS 66 HZ2 LYS 66 2.328 8.830 -38.706 491 HZ3 LYS 66 HZ3 LYS 66 3.271 10.215 -38.939 492 H GLY 67 HN GLY 67 7.270 9.869 -33.639 493 HA2 GLY 67 HA2 GLY 67 9.442 9.067 -33.639 494 HA3 GLY 67 HA1 GLY 67 9.813 10.031 -35.058 495 H ARG 68 HN ARG 68 8.745 12.499 -33.692 496 HA ARG 68 HA ARG 68 11.227 13.413 -32.585 497 HB2 ARG 68 HB2 ARG 68 8.554 14.857 -32.382 498 HB3 ARG 68 HB1 ARG 68 10.168 15.560 -32.349 499 HG2 ARG 68 HG2 ARG 68 10.406 14.846 -34.778 500 HG3 ARG 68 HG1 ARG 68 8.694 14.412 -34.737 501 HD2 ARG 68 HD2 ARG 68 9.956 17.152 -34.503 502 HD3 ARG 68 HD1 ARG 68 8.717 16.602 -35.633 503 HE ARG 68 HE ARG 68 8.296 17.167 -32.747 504 HH11 ARG 68 HH11 ARG 68 6.949 16.901 -35.975 505 HH12 ARG 68 HH12 ARG 68 5.418 17.573 -35.517 506 HH21 ARG 68 HH21 ARG 68 6.296 18.068 -32.169 507 HH22 ARG 68 HH22 ARG 68 5.047 18.234 -33.362 508 H PHE 69 HN PHE 69 8.000 12.738 -31.320 509 HA PHE 69 HA PHE 69 8.797 13.028 -28.537 510 HB2 PHE 69 HB2 PHE 69 6.161 12.312 -29.877 511 HB3 PHE 69 HB1 PHE 69 6.371 12.274 -28.131 512 HD1 PHE 69 HD1 PHE 69 4.578 13.905 -27.773 513 HD2 PHE 69 HD2 PHE 69 7.975 14.948 -30.167 514 HE1 PHE 69 HE1 PHE 69 3.940 16.282 -27.662 515 HE2 PHE 69 HE2 PHE 69 7.330 17.318 -30.039 516 HZ PHE 69 HZ PHE 69 5.311 17.989 -28.787 517 H THR 70 HN THR 70 9.555 11.421 -27.381 518 HA THR 70 HA THR 70 9.358 8.596 -28.174 519 HB THR 70 HB THR 70 11.969 10.035 -27.445 520 HG1 THR 70 HG1 THR 70 11.241 10.548 -29.562 521 HG21 THR 70 HG21 THR 70 13.092 7.919 -28.045 522 HG22 THR 70 HG22 THR 70 11.530 7.167 -28.372 523 HG23 THR 70 HG23 THR 70 11.943 7.653 -26.728 524 H ILE 71 HN ILE 71 9.629 7.161 -26.342 525 HA ILE 71 HA ILE 71 9.666 8.391 -23.667 526 HB ILE 71 HB ILE 71 7.813 6.866 -22.916 527 HG12 ILE 71 HG12 ILE 71 7.917 5.273 -24.916 528 HG13 ILE 71 HG11 ILE 71 6.305 5.756 -24.419 529 HG21 ILE 71 HG21 ILE 71 5.970 8.268 -23.713 530 HG22 ILE 71 HG22 ILE 71 7.020 8.939 -24.964 531 HG23 ILE 71 HG23 ILE 71 7.385 9.218 -23.260 532 HD11 ILE 71 HD11 ILE 71 7.819 6.869 -26.782 533 HD12 ILE 71 HD12 ILE 71 6.175 7.303 -26.300 534 HD13 ILE 71 HD13 ILE 71 6.533 5.663 -26.836 535 H SER 72 HN SER 72 10.226 6.963 -21.960 536 HA SER 72 HA SER 72 11.323 4.330 -22.569 537 HB2 SER 72 HB2 SER 72 13.187 5.859 -23.169 538 HB3 SER 72 HB1 SER 72 13.101 6.613 -21.579 539 HG SER 72 HG SER 72 14.182 4.994 -20.762 540 H ARG 73 HN ARG 73 11.474 3.045 -20.754 541 HA ARG 73 HA ARG 73 10.719 4.198 -18.127 542 HB2 ARG 73 HB2 ARG 73 9.140 2.472 -18.905 543 HB3 ARG 73 HB1 ARG 73 10.459 1.337 -19.165 544 HG2 ARG 73 HG2 ARG 73 10.910 1.368 -16.692 545 HG3 ARG 73 HG1 ARG 73 9.508 2.420 -16.485 546 HD2 ARG 73 HD2 ARG 73 8.079 0.621 -17.496 547 HD3 ARG 73 HD1 ARG 73 9.497 -0.432 -17.537 548 HE ARG 73 HE ARG 73 9.531 -0.000 -15.000 549 HH11 ARG 73 HH11 ARG 73 6.547 -0.213 -16.865 550 HH12 ARG 73 HH12 ARG 73 5.620 -0.801 -15.526 551 HH21 ARG 73 HH21 ARG 73 8.294 -0.786 -13.266 552 HH22 ARG 73 HH22 ARG 73 6.612 -1.146 -13.494 553 H ASP 74 HN ASP 74 12.361 4.370 -16.764 554 HA ASP 74 HA ASP 74 14.632 2.452 -16.879 555 HB2 ASP 74 HB2 ASP 74 14.531 5.388 -16.028 556 HB3 ASP 74 HB1 ASP 74 15.898 4.330 -15.692 557 H ASN 75 HN ASN 75 13.646 0.946 -15.562 558 HA ASN 75 HA ASN 75 12.219 1.680 -13.150 559 HB2 ASN 75 HB2 ASN 75 11.552 -0.184 -14.772 560 HB3 ASN 75 HB1 ASN 75 12.874 -1.141 -14.115 561 HD21 ASN 75 HD21 ASN 75 12.679 -1.960 -11.982 562 HD22 ASN 75 HD22 ASN 75 11.168 -1.981 -11.148 563 H ALA 76 HN ALA 76 15.457 0.991 -13.920 564 HA ALA 76 HA ALA 76 16.499 -0.247 -11.635 565 HB1 ALA 76 HB1 ALA 76 18.658 0.723 -12.308 566 HB2 ALA 76 HB2 ALA 76 17.825 1.846 -13.391 567 HB3 ALA 76 HB3 ALA 76 17.773 0.112 -13.708 568 H LYS 77 HN LYS 77 15.745 3.184 -12.219 569 HA LYS 77 HA LYS 77 16.028 3.683 -9.303 570 HB2 LYS 77 HB2 LYS 77 16.420 6.064 -9.781 571 HB3 LYS 77 HB1 LYS 77 17.679 5.043 -10.448 572 HG2 LYS 77 HG2 LYS 77 15.407 6.047 -12.181 573 HG3 LYS 77 HG1 LYS 77 16.807 7.064 -11.824 574 HD2 LYS 77 HD2 LYS 77 18.261 5.157 -12.726 575 HD3 LYS 77 HD1 LYS 77 16.768 4.408 -13.304 576 HE2 LYS 77 HE2 LYS 77 16.313 6.377 -14.710 577 HE3 LYS 77 HE1 LYS 77 17.760 7.175 -14.091 578 HZ1 LYS 77 HZ1 LYS 77 19.115 5.492 -15.103 579 HZ2 LYS 77 HZ2 LYS 77 18.086 6.141 -16.278 580 HZ3 LYS 77 HZ3 LYS 77 17.755 4.625 -15.612 581 H ASN 78 HN ASN 78 13.829 3.056 -11.557 582 HA ASN 78 HA ASN 78 11.640 3.343 -11.927 583 HB2 ASN 78 HB2 ASN 78 11.625 4.148 -8.996 584 HB3 ASN 78 HB1 ASN 78 10.179 3.781 -9.934 585 HD21 ASN 78 HD21 ASN 78 9.831 1.616 -10.621 586 HD22 ASN 78 HD22 ASN 78 10.634 0.293 -9.862 587 H THR 79 HN THR 79 12.534 5.088 -13.293 588 HA THR 79 HA THR 79 10.984 7.535 -12.838 589 HB THR 79 HB THR 79 13.867 7.548 -13.868 590 HG1 THR 79 HG1 THR 79 12.835 7.696 -11.336 591 HG21 THR 79 HG21 THR 79 12.473 9.360 -14.843 592 HG22 THR 79 HG22 THR 79 13.675 10.005 -13.723 593 HG23 THR 79 HG23 THR 79 11.991 9.857 -13.216 594 H VAL 80 HN VAL 80 9.865 8.114 -14.608 595 HA VAL 80 HA VAL 80 10.163 6.535 -17.089 596 HB VAL 80 HB VAL 80 7.675 8.025 -16.136 597 HG11 VAL 80 HG11 VAL 80 8.004 5.851 -18.234 598 HG12 VAL 80 HG12 VAL 80 7.705 7.562 -18.547 599 HG13 VAL 80 HG13 VAL 80 6.473 6.584 -17.748 600 HG21 VAL 80 HG21 VAL 80 6.769 5.851 -15.368 601 HG22 VAL 80 HG22 VAL 80 8.204 6.320 -14.453 602 HG23 VAL 80 HG23 VAL 80 8.322 5.086 -15.711 603 H TYR 81 HN TYR 81 10.753 7.665 -18.886 604 HA TYR 81 HA TYR 81 10.904 10.610 -18.696 605 HB2 TYR 81 HB2 TYR 81 12.528 8.654 -20.381 606 HB3 TYR 81 HB1 TYR 81 12.702 10.407 -20.437 607 HD1 TYR 81 HD1 TYR 81 13.302 7.386 -18.387 608 HD2 TYR 81 HD2 TYR 81 13.808 11.622 -18.606 609 HE1 TYR 81 HE1 TYR 81 14.884 7.294 -16.513 610 HE2 TYR 81 HE2 TYR 81 15.400 11.526 -16.736 611 HH TYR 81 HH TYR 81 15.905 10.011 -14.806 612 H LEU 82 HN LEU 82 9.808 11.858 -20.039 613 HA LEU 82 HA LEU 82 8.703 10.808 -22.587 614 HB2 LEU 82 HB2 LEU 82 6.947 11.551 -21.032 615 HB3 LEU 82 HB1 LEU 82 7.775 13.070 -20.764 616 HG LEU 82 HG LEU 82 7.322 13.668 -23.175 617 HD11 LEU 82 HD11 LEU 82 7.009 11.446 -24.125 618 HD12 LEU 82 HD12 LEU 82 5.593 12.454 -24.413 619 HD13 LEU 82 HD13 LEU 82 5.549 11.214 -23.156 620 HD21 LEU 82 HD21 LEU 82 5.937 14.553 -21.357 621 HD22 LEU 82 HD22 LEU 82 4.875 13.146 -21.464 622 HD23 LEU 82 HD23 LEU 82 4.977 14.281 -22.812 623 H GLN 83 HN GLN 83 10.485 11.269 -23.892 624 HA GLN 83 HA GLN 83 11.717 13.928 -23.817 625 HB2 GLN 83 HB2 GLN 83 13.201 11.945 -23.980 626 HB3 GLN 83 HB1 GLN 83 12.418 11.467 -25.479 627 HG2 GLN 83 HG2 GLN 83 14.615 12.552 -25.840 628 HG3 GLN 83 HG1 GLN 83 13.292 13.424 -26.621 629 HE21 GLN 83 HE21 GLN 83 12.760 15.506 -25.893 630 HE22 GLN 83 HE22 GLN 83 13.741 16.383 -24.771 631 H MET 84 HN MET 84 10.274 15.314 -24.697 632 HA MET 84 HA MET 84 9.061 14.763 -27.319 633 HB2 MET 84 HB2 MET 84 8.556 16.994 -25.299 634 HB3 MET 84 HB1 MET 84 7.699 16.810 -26.827 635 HG2 MET 84 HG2 MET 84 6.932 14.547 -26.006 636 HG3 MET 84 HG1 MET 84 7.608 14.964 -24.433 637 HE1 MET 84 HE1 MET 84 6.918 17.983 -23.970 638 HE2 MET 84 HE2 MET 84 6.497 16.765 -22.766 639 HE3 MET 84 HE3 MET 84 5.288 17.929 -23.303 640 H ASN 85 HN ASN 85 10.410 15.291 -28.972 641 HA ASN 85 HA ASN 85 11.986 17.783 -28.805 642 HB2 ASN 85 HB2 ASN 85 12.182 15.424 -30.708 643 HB3 ASN 85 HB1 ASN 85 13.024 16.943 -30.997 644 HD21 ASN 85 HD21 ASN 85 15.111 16.336 -30.714 645 HD22 ASN 85 HD22 ASN 85 15.748 15.665 -29.252 646 H SER 86 HN SER 86 11.639 19.478 -30.072 647 HA SER 86 HA SER 86 10.562 21.008 -31.286 648 HB2 SER 86 HB2 SER 86 11.341 19.604 -33.193 649 HB3 SER 86 HB1 SER 86 9.829 18.702 -33.139 650 HG SER 86 HG SER 86 9.479 20.241 -34.630 651 H LEU 87 HN LEU 87 9.185 21.095 -29.371 652 HA LEU 87 HA LEU 87 6.510 20.024 -29.477 653 HB2 LEU 87 HB2 LEU 87 7.666 22.178 -27.667 654 HB3 LEU 87 HB1 LEU 87 6.069 21.465 -27.511 655 HG LEU 87 HG LEU 87 7.399 19.193 -27.281 656 HD11 LEU 87 HD11 LEU 87 9.605 20.032 -27.832 657 HD12 LEU 87 HD12 LEU 87 9.566 19.387 -26.191 658 HD13 LEU 87 HD13 LEU 87 9.552 21.134 -26.452 659 HD21 LEU 87 HD21 LEU 87 7.472 19.463 -24.847 660 HD22 LEU 87 HD22 LEU 87 5.998 20.150 -25.527 661 HD23 LEU 87 HD23 LEU 87 7.316 21.214 -25.026 662 H LYS 88 HN LYS 88 4.627 21.143 -29.923 663 HA LYS 88 HA LYS 88 4.870 23.433 -31.728 664 HB2 LYS 88 HB2 LYS 88 2.347 21.918 -30.920 665 HB3 LYS 88 HB1 LYS 88 2.561 22.961 -32.324 666 HG2 LYS 88 HG2 LYS 88 3.798 20.225 -31.864 667 HG3 LYS 88 HG1 LYS 88 2.554 20.645 -33.043 668 HD2 LYS 88 HD2 LYS 88 5.440 21.622 -33.055 669 HD3 LYS 88 HD1 LYS 88 4.774 20.377 -34.109 670 HE2 LYS 88 HE2 LYS 88 3.357 22.011 -35.225 671 HE3 LYS 88 HE1 LYS 88 3.826 23.266 -34.074 672 HZ1 LYS 88 HZ1 LYS 88 6.084 23.111 -34.880 673 HZ2 LYS 88 HZ2 LYS 88 5.025 23.474 -36.143 674 HZ3 LYS 88 HZ3 LYS 88 5.641 21.910 -35.980 675 HA PRO 89 HA PRO 89 3.835 26.485 -28.668 676 HB2 PRO 89 HB2 PRO 89 2.144 28.220 -30.012 677 HB3 PRO 89 HB1 PRO 89 3.893 28.157 -30.273 678 HG2 PRO 89 HG2 PRO 89 1.689 26.853 -31.870 679 HG3 PRO 89 HG1 PRO 89 3.106 27.754 -32.452 680 HD2 PRO 89 HD2 PRO 89 3.075 25.064 -32.459 681 HD3 PRO 89 HD1 PRO 89 4.567 25.957 -32.072 682 H GLU 90 HN GLU 90 1.272 24.673 -30.146 683 HA GLU 90 HA GLU 90 -0.776 25.412 -28.211 684 HB2 GLU 90 HB2 GLU 90 -2.196 23.794 -29.477 685 HB3 GLU 90 HB1 GLU 90 -1.487 25.048 -30.491 686 HG2 GLU 90 HG2 GLU 90 0.285 23.397 -31.182 687 HG3 GLU 90 HG1 GLU 90 -0.591 22.154 -30.289 688 H ASP 91 HN ASP 91 1.872 23.418 -27.993 689 HA ASP 91 HA ASP 91 0.681 21.531 -26.089 690 HB2 ASP 91 HB2 ASP 91 3.569 21.985 -26.970 691 HB3 ASP 91 HB1 ASP 91 3.122 20.829 -25.723 692 H THR 92 HN THR 92 0.711 24.573 -25.746 693 HA THR 92 HA THR 92 1.932 24.875 -23.133 694 HB THR 92 HB THR 92 -0.067 26.628 -24.628 695 HG1 THR 92 HG1 THR 92 1.960 26.564 -25.620 696 HG21 THR 92 HG21 THR 92 0.536 28.414 -23.022 697 HG22 THR 92 HG22 THR 92 1.512 27.263 -22.107 698 HG23 THR 92 HG23 THR 92 -0.238 27.055 -22.202 699 H ALA 93 HN ALA 93 1.090 23.297 -21.819 700 HA ALA 93 HA ALA 93 -1.616 23.494 -20.834 701 HB1 ALA 93 HB1 ALA 93 -1.993 22.163 -22.888 702 HB2 ALA 93 HB2 ALA 93 -2.289 21.186 -21.449 703 HB3 ALA 93 HB3 ALA 93 -0.790 20.985 -22.357 704 H VAL 94 HN VAL 94 -1.849 21.169 -19.444 705 HA VAL 94 HA VAL 94 0.653 20.873 -17.881 706 HB VAL 94 HB VAL 94 -1.016 21.915 -16.489 707 HG11 VAL 94 HG11 VAL 94 -3.248 20.986 -16.015 708 HG12 VAL 94 HG12 VAL 94 -2.964 19.700 -17.189 709 HG13 VAL 94 HG13 VAL 94 -3.062 21.374 -17.730 710 HG21 VAL 94 HG21 VAL 94 -0.859 18.975 -15.767 711 HG22 VAL 94 HG22 VAL 94 -1.251 20.288 -14.653 712 HG23 VAL 94 HG23 VAL 94 0.351 20.202 -15.389 713 H TYR 95 HN TYR 95 1.618 19.037 -18.487 714 HA TYR 95 HA TYR 95 0.155 16.709 -19.449 715 HB2 TYR 95 HB2 TYR 95 3.059 17.514 -19.316 716 HB3 TYR 95 HB1 TYR 95 2.703 15.795 -19.365 717 HD1 TYR 95 HD1 TYR 95 2.821 14.825 -21.471 718 HD2 TYR 95 HD2 TYR 95 1.554 18.896 -21.203 719 HE1 TYR 95 HE1 TYR 95 2.663 14.935 -23.912 720 HE2 TYR 95 HE2 TYR 95 1.402 19.005 -23.656 721 HH TYR 95 HH TYR 95 2.345 17.853 -25.603 722 H LEU 96 HN LEU 96 0.248 14.664 -18.455 723 HA LEU 96 HA LEU 96 1.479 14.368 -15.851 724 HB2 LEU 96 HB2 LEU 96 -0.631 13.376 -14.852 725 HB3 LEU 96 HB1 LEU 96 -0.612 15.110 -15.067 726 HG LEU 96 HG LEU 96 -2.001 14.664 -17.241 727 HD11 LEU 96 HD11 LEU 96 -1.726 12.246 -17.392 728 HD12 LEU 96 HD12 LEU 96 -3.425 12.669 -17.205 729 HD13 LEU 96 HD13 LEU 96 -2.519 12.035 -15.828 730 HD21 LEU 96 HD21 LEU 96 -2.913 15.791 -15.264 731 HD22 LEU 96 HD22 LEU 96 -3.270 14.233 -14.515 732 HD23 LEU 96 HD23 LEU 96 -4.118 14.721 -15.984 733 H CYS 97 HN CYS 97 1.948 12.282 -15.294 734 HA CYS 97 HA CYS 97 2.083 10.349 -17.475 735 HB2 CYS 97 HB2 CYS 97 4.076 10.839 -16.038 736 HB3 CYS 97 HB1 CYS 97 3.213 10.188 -14.648 737 HG CYS 97 HG CYS 97 3.997 8.379 -17.442 738 H ALA 98 HN ALA 98 1.478 8.059 -17.018 739 HA ALA 98 HA ALA 98 -0.762 7.772 -15.107 740 HB1 ALA 98 HB1 ALA 98 -1.624 7.854 -17.415 741 HB2 ALA 98 HB2 ALA 98 -1.873 6.262 -16.694 742 HB3 ALA 98 HB3 ALA 98 -0.573 6.509 -17.863 743 H ALA 99 HN ALA 99 -1.071 5.621 -14.345 744 HA ALA 99 HA ALA 99 1.020 3.624 -14.622 745 HB1 ALA 99 HB1 ALA 99 1.528 3.531 -12.206 746 HB2 ALA 99 HB2 ALA 99 0.477 4.922 -11.918 747 HB3 ALA 99 HB3 ALA 99 1.952 5.111 -12.868 748 H GLY 100 HN GLY 100 0.433 1.664 -13.296 749 HA2 GLY 100 HA2 GLY 100 -1.691 0.923 -11.912 750 HA3 GLY 100 HA1 GLY 100 -2.450 1.144 -13.487 751 H VAL 101 HN VAL 101 -2.958 -1.123 -13.411 752 HA VAL 101 HA VAL 101 -0.694 -2.904 -14.130 753 HB VAL 101 HB VAL 101 -1.936 -4.802 -13.061 754 HG11 VAL 101 HG11 VAL 101 -1.395 -4.248 -10.704 755 HG12 VAL 101 HG12 VAL 101 -1.269 -2.540 -11.131 756 HG13 VAL 101 HG13 VAL 101 -0.124 -3.702 -11.804 757 HG21 VAL 101 HG21 VAL 101 -3.793 -2.649 -11.952 758 HG22 VAL 101 HG22 VAL 101 -3.806 -4.351 -11.479 759 HG23 VAL 101 HG23 VAL 101 -4.231 -3.889 -13.128 760 H TRP 102 HN TRP 102 -1.490 -4.866 -15.348 761 HA TRP 102 HA TRP 102 -3.134 -4.006 -17.577 762 HB2 TRP 102 HB2 TRP 102 -2.422 -6.136 -18.650 763 HB3 TRP 102 HB1 TRP 102 -1.054 -5.185 -18.090 764 HD1 TRP 102 HD1 TRP 102 0.384 -6.197 -16.021 765 HE1 TRP 102 HE1 TRP 102 0.627 -8.578 -15.098 766 HE3 TRP 102 HE3 TRP 102 -3.686 -8.369 -18.251 767 HZ2 TRP 102 HZ2 TRP 102 -0.702 -11.049 -15.280 768 HZ3 TRP 102 HZ3 TRP 102 -4.125 -10.755 -17.821 769 HH2 TRP 102 HH2 TRP 102 -2.661 -12.067 -16.365 770 H ARG 103 HN ARG 103 -5.076 -4.897 -18.209 771 HA ARG 103 HA ARG 103 -6.640 -6.364 -16.213 772 HB2 ARG 103 HB2 ARG 103 -7.591 -4.351 -17.355 773 HB3 ARG 103 HB1 ARG 103 -7.443 -5.168 -18.903 774 HG2 ARG 103 HG2 ARG 103 -9.743 -5.256 -18.203 775 HG3 ARG 103 HG1 ARG 103 -9.073 -6.887 -18.118 776 HD2 ARG 103 HD2 ARG 103 -8.798 -6.639 -15.670 777 HD3 ARG 103 HD1 ARG 103 -9.465 -5.005 -15.766 778 HE ARG 103 HE ARG 103 -11.186 -7.066 -16.848 779 HH11 ARG 103 HH11 ARG 103 -10.415 -5.270 -13.923 780 HH12 ARG 103 HH12 ARG 103 -11.936 -5.632 -13.178 781 HH21 ARG 103 HH21 ARG 103 -13.151 -7.534 -15.828 782 HH22 ARG 103 HH22 ARG 103 -13.464 -6.907 -14.242 783 H SER 104 HN SER 104 -7.499 -8.446 -16.576 784 HA SER 104 HA SER 104 -5.979 -10.231 -18.175 785 HB2 SER 104 HB2 SER 104 -8.619 -10.711 -16.735 786 HB3 SER 104 HB1 SER 104 -7.534 -11.966 -17.340 787 HG SER 104 HG SER 104 -6.745 -11.800 -15.386 788 H SER 105 HN SER 105 -8.857 -8.440 -18.870 789 HA SER 105 HA SER 105 -9.849 -9.944 -21.089 790 HB2 SER 105 HB2 SER 105 -11.234 -8.304 -19.867 791 HB3 SER 105 HB1 SER 105 -10.169 -6.990 -20.366 792 HG SER 105 HG SER 105 -11.282 -8.571 -22.383 793 H GLY 106 HN GLY 106 -7.192 -7.742 -20.695 794 HA2 GLY 106 HA2 GLY 106 -5.425 -7.589 -22.318 795 HA3 GLY 106 HA1 GLY 106 -6.598 -7.810 -23.607 796 H TRP 107 HN TRP 107 -8.038 -5.782 -21.502 797 HA TRP 107 HA TRP 107 -7.583 -3.378 -23.027 798 HB2 TRP 107 HB2 TRP 107 -9.823 -3.988 -22.106 799 HB3 TRP 107 HB1 TRP 107 -9.196 -3.867 -20.466 800 HD1 TRP 107 HD1 TRP 107 -9.109 -1.461 -19.391 801 HE1 TRP 107 HE1 TRP 107 -9.890 0.860 -20.140 802 HE3 TRP 107 HE3 TRP 107 -10.161 -2.492 -24.292 803 HZ2 TRP 107 HZ2 TRP 107 -10.843 2.106 -22.474 804 HZ3 TRP 107 HZ3 TRP 107 -11.018 -0.675 -25.718 805 HH2 TRP 107 HH2 TRP 107 -11.354 1.581 -24.825 806 H ASP 108 HN ASP 108 -6.632 -1.430 -22.258 807 HA ASP 108 HA ASP 108 -4.618 -1.747 -20.133 808 HB2 ASP 108 HB2 ASP 108 -3.913 -0.860 -22.377 809 HB3 ASP 108 HB1 ASP 108 -4.956 0.535 -22.130 810 H THR 109 HN THR 109 -4.955 -0.922 -18.152 811 HA THR 109 HA THR 109 -7.049 1.148 -17.767 812 HB THR 109 HB THR 109 -7.256 0.153 -15.411 813 HG1 THR 109 HG1 THR 109 -5.203 -1.071 -15.649 814 HG21 THR 109 HG21 THR 109 -8.698 -1.725 -16.081 815 HG22 THR 109 HG22 THR 109 -7.993 -1.707 -17.699 816 HG23 THR 109 HG23 THR 109 -8.951 -0.334 -17.141 817 HA PRO 110 HA PRO 110 -3.500 3.442 -15.897 818 HB2 PRO 110 HB2 PRO 110 -5.255 5.765 -16.509 819 HB3 PRO 110 HB1 PRO 110 -3.563 5.498 -16.941 820 HG2 PRO 110 HG2 PRO 110 -5.522 5.410 -18.797 821 HG3 PRO 110 HG1 PRO 110 -4.098 4.351 -18.895 822 HD2 PRO 110 HD2 PRO 110 -6.876 3.699 -17.892 823 HD3 PRO 110 HD1 PRO 110 -5.815 2.753 -18.966 824 H ASP 111 HN ASP 111 -3.958 2.660 -13.858 825 HA ASP 111 HA ASP 111 -6.409 3.196 -12.427 826 HB2 ASP 111 HB2 ASP 111 -4.959 1.122 -12.125 827 HB3 ASP 111 HB1 ASP 111 -3.775 2.130 -11.303 828 H TYR 112 HN TYR 112 -3.086 4.376 -12.310 829 HA TYR 112 HA TYR 112 -3.852 6.652 -10.587 830 HB2 TYR 112 HB2 TYR 112 -1.128 5.321 -10.989 831 HB3 TYR 112 HB1 TYR 112 -1.363 6.819 -10.093 832 HD1 TYR 112 HD1 TYR 112 -1.646 3.184 -9.960 833 HD2 TYR 112 HD2 TYR 112 -2.638 6.816 -7.941 834 HE1 TYR 112 HE1 TYR 112 -2.115 1.918 -7.908 835 HE2 TYR 112 HE2 TYR 112 -3.110 5.551 -5.891 836 HH TYR 112 HH TYR 112 -3.713 3.294 -5.221 837 H TRP 113 HN TRP 113 -2.850 8.667 -11.051 838 HA TRP 113 HA TRP 113 -1.618 9.087 -13.678 839 HB2 TRP 113 HB2 TRP 113 -4.003 10.654 -12.595 840 HB3 TRP 113 HB1 TRP 113 -2.975 11.255 -13.891 841 HD1 TRP 113 HD1 TRP 113 -3.046 9.854 -16.261 842 HE1 TRP 113 HE1 TRP 113 -4.957 8.511 -17.328 843 HE3 TRP 113 HE3 TRP 113 -5.972 9.120 -12.117 844 HZ2 TRP 113 HZ2 TRP 113 -7.365 7.297 -16.543 845 HZ3 TRP 113 HZ3 TRP 113 -8.068 7.851 -12.366 846 HH2 TRP 113 HH2 TRP 113 -8.752 6.956 -14.538 847 H GLY 114 HN GLY 114 -0.619 11.328 -13.752 848 HA2 GLY 114 HA2 GLY 114 1.153 11.526 -11.491 849 HA3 GLY 114 HA1 GLY 114 1.258 12.421 -13.000 850 H GLN 115 HN GLN 115 1.891 13.827 -10.888 851 HA GLN 115 HA GLN 115 -0.283 15.051 -9.456 852 HB2 GLN 115 HB2 GLN 115 2.603 15.990 -9.728 853 HB3 GLN 115 HB1 GLN 115 1.442 16.558 -8.532 854 HG2 GLN 115 HG2 GLN 115 2.620 13.774 -8.732 855 HG3 GLN 115 HG1 GLN 115 3.008 14.993 -7.524 856 HE21 GLN 115 HE21 GLN 115 1.501 15.413 -5.854 857 HE22 GLN 115 HE22 GLN 115 0.213 14.316 -5.497 858 H GLY 116 HN GLY 116 1.178 15.596 -12.515 859 HA2 GLY 116 HA2 GLY 116 0.283 16.960 -14.202 860 HA3 GLY 116 HA1 GLY 116 -0.477 17.976 -12.987 861 H THR 117 HN THR 117 2.332 17.432 -14.895 862 HA THR 117 HA THR 117 3.763 19.712 -13.719 863 HB THR 117 HB THR 117 5.154 17.761 -14.045 864 HG1 THR 117 HG1 THR 117 5.831 20.042 -14.762 865 HG21 THR 117 HG21 THR 117 4.434 17.829 -16.996 866 HG22 THR 117 HG22 THR 117 3.924 16.597 -15.839 867 HG23 THR 117 HG23 THR 117 5.633 16.769 -16.248 868 H GLN 118 HN GLN 118 3.370 21.650 -14.522 869 HA GLN 118 HA GLN 118 1.942 22.174 -16.951 870 HB2 GLN 118 HB2 GLN 118 3.325 23.968 -14.922 871 HB3 GLN 118 HB1 GLN 118 2.512 24.623 -16.339 872 HG2 GLN 118 HG2 GLN 118 0.991 22.810 -14.473 873 HG3 GLN 118 HG1 GLN 118 1.289 24.479 -14.007 874 HE21 GLN 118 HE21 GLN 118 0.713 23.613 -17.403 875 HE22 GLN 118 HE22 GLN 118 -0.853 24.319 -17.492 876 H VAL 119 HN VAL 119 2.914 21.890 -18.873 877 HA VAL 119 HA VAL 119 5.631 22.975 -19.343 878 HB VAL 119 HB VAL 119 5.716 21.620 -21.386 879 HG11 VAL 119 HG11 VAL 119 4.845 19.921 -19.012 880 HG12 VAL 119 HG12 VAL 119 6.469 20.552 -19.294 881 HG13 VAL 119 HG13 VAL 119 5.788 19.354 -20.396 882 HG21 VAL 119 HG21 VAL 119 3.346 21.649 -22.062 883 HG22 VAL 119 HG22 VAL 119 2.922 20.615 -20.698 884 HG23 VAL 119 HG23 VAL 119 3.940 19.988 -21.997 885 H THR 120 HN THR 120 5.785 24.843 -20.473 886 HA THR 120 HA THR 120 3.388 25.876 -21.903 887 HB THR 120 HB THR 120 5.452 27.477 -20.308 888 HG1 THR 120 HG1 THR 120 3.287 26.135 -19.512 889 HG21 THR 120 HG21 THR 120 4.517 28.796 -22.187 890 HG22 THR 120 HG22 THR 120 3.932 29.395 -20.634 891 HG23 THR 120 HG23 THR 120 2.882 28.405 -21.646 892 H VAL 121 HN VAL 121 3.930 25.482 -24.019 893 HA VAL 121 HA VAL 121 6.657 26.096 -24.936 894 HB VAL 121 HB VAL 121 4.349 25.044 -26.610 895 HG11 VAL 121 HG11 VAL 121 6.201 26.017 -27.920 896 HG12 VAL 121 HG12 VAL 121 6.144 24.267 -28.137 897 HG13 VAL 121 HG13 VAL 121 7.360 24.984 -27.077 898 HG21 VAL 121 HG21 VAL 121 5.284 22.784 -26.263 899 HG22 VAL 121 HG22 VAL 121 4.744 23.497 -24.741 900 HG23 VAL 121 HG23 VAL 121 6.466 23.442 -25.128 901 H SER 122 HN SER 122 6.837 28.300 -24.888 902 HA SER 122 HA SER 122 4.863 30.097 -25.936 903 HB2 SER 122 HB2 SER 122 6.645 30.711 -24.260 904 HB3 SER 122 HB1 SER 122 7.846 30.619 -25.551 905 HG SER 122 HG SER 122 5.582 32.341 -25.449 906 H SER 123 HN SER 123 4.795 31.178 -27.927 907 HA SER 123 HA SER 123 5.850 29.865 -30.236 908 HB2 SER 123 HB2 SER 123 4.452 32.562 -29.983 909 HB3 SER 123 HB1 SER 123 4.722 31.693 -31.494 910 HG SER 123 HG SER 123 3.157 30.341 -31.013 911 H LEU 124 HN LEU 124 8.098 29.907 -29.857 912 HA LEU 124 HA LEU 124 10.229 30.539 -30.209 913 HB2 LEU 124 HB2 LEU 124 8.847 32.517 -32.061 914 HB3 LEU 124 HB1 LEU 124 10.589 32.366 -31.980 915 HG LEU 124 HG LEU 124 9.883 31.142 -33.901 916 HD11 LEU 124 HD11 LEU 124 10.471 29.130 -31.720 917 HD12 LEU 124 HD12 LEU 124 11.658 30.070 -32.633 918 HD13 LEU 124 HD13 LEU 124 10.657 28.880 -33.460 919 HD21 LEU 124 HD21 LEU 124 7.517 30.871 -33.392 920 HD22 LEU 124 HD22 LEU 124 7.889 29.646 -32.178 921 HD23 LEU 124 HD23 LEU 124 8.223 29.331 -33.884 922 H GLU 125 HN GLU 125 8.827 31.737 -27.935 923 HA GLU 125 HA GLU 125 10.594 34.057 -27.435 924 HB2 GLU 125 HB2 GLU 125 7.674 33.706 -26.661 925 HB3 GLU 125 HB1 GLU 125 8.716 34.886 -25.874 926 HG2 GLU 125 HG2 GLU 125 8.081 34.820 -28.844 927 HG3 GLU 125 HG1 GLU 125 7.293 35.862 -27.657 928 H HIS 126 HN HIS 126 10.902 34.475 -25.100 929 HA HIS 126 HA HIS 126 10.919 32.100 -23.364 930 HB2 HIS 126 HB2 HIS 126 13.378 33.824 -23.978 931 HB3 HIS 126 HB1 HIS 126 13.306 32.555 -22.754 932 HD1 HIS 126 HD1 HIS 126 13.675 33.109 -26.415 933 HD2 HIS 126 HD2 HIS 126 13.323 29.907 -23.798 934 HE1 HIS 126 HE1 HIS 126 14.278 31.081 -27.754 935 HE2 HIS 126 HE2 HIS 126 14.279 29.204 -26.088 936 H HIS 127 HN HIS 127 11.574 32.794 -21.077 937 HA HIS 127 HA HIS 127 10.778 35.579 -20.469 938 HB2 HIS 127 HB2 HIS 127 9.589 33.038 -19.309 939 HB3 HIS 127 HB1 HIS 127 9.566 34.534 -18.386 940 HD1 HIS 127 HD1 HIS 127 7.784 36.208 -18.935 941 HD2 HIS 127 HD2 HIS 127 8.023 33.166 -21.751 942 HE1 HIS 127 HE1 HIS 127 5.777 36.502 -20.414 943 HE2 HIS 127 HE2 HIS 127 5.832 34.519 -21.961 944 H HIS 128 HN HIS 128 12.088 36.570 -19.146 945 HA HIS 128 HA HIS 128 14.314 35.239 -17.821 946 HB2 HIS 128 HB2 HIS 128 13.571 38.171 -18.220 947 HB3 HIS 128 HB1 HIS 128 14.956 37.667 -17.259 948 HD1 HIS 128 HD1 HIS 128 13.955 38.427 -20.690 949 HD2 HIS 128 HD2 HIS 128 16.974 36.274 -18.817 950 HE1 HIS 128 HE1 HIS 128 15.740 38.130 -22.430 951 HE2 HIS 128 HE2 HIS 128 17.481 36.681 -21.321 952 H HIS 129 HN HIS 129 14.648 35.240 -15.581 953 HA HIS 129 HA HIS 129 12.511 36.218 -13.805 954 HB2 HIS 129 HB2 HIS 129 13.448 33.314 -13.927 955 HB3 HIS 129 HB1 HIS 129 12.543 33.988 -12.574 956 HD1 HIS 129 HD1 HIS 129 12.064 32.325 -15.743 957 HD2 HIS 129 HD2 HIS 129 9.894 35.027 -13.447 958 HE1 HIS 129 HE1 HIS 129 9.719 32.220 -16.625 959 HE2 HIS 129 HE2 HIS 129 8.419 33.867 -15.227 960 H HIS 130 HN HIS 130 13.723 37.680 -12.778 961 HA HIS 130 HA HIS 130 16.441 37.123 -11.857 962 HB2 HIS 130 HB2 HIS 130 14.720 39.637 -11.617 963 HB3 HIS 130 HB1 HIS 130 16.401 39.520 -11.101 964 HD1 HIS 130 HD1 HIS 130 18.221 39.374 -12.977 965 HD2 HIS 130 HD2 HIS 130 14.346 39.963 -14.360 966 HE1 HIS 130 HE1 HIS 130 18.465 40.082 -15.374 967 HE2 HIS 130 HE2 HIS 130 16.102 40.310 -16.229 968 H HIS 131 HN HIS 131 17.098 37.162 -9.690 969 HA HIS 131 HA HIS 131 15.070 36.173 -7.807 970 HB2 HIS 131 HB2 HIS 131 18.111 36.020 -7.791 971 HB3 HIS 131 HB1 HIS 131 17.086 35.401 -6.497 972 HD1 HIS 131 HD1 HIS 131 18.461 34.520 -9.792 973 HD2 HIS 131 HD2 HIS 131 15.396 33.198 -7.315 974 HE1 HIS 131 HE1 HIS 131 17.786 32.272 -10.694 975 HE2 HIS 131 HE2 HIS 131 15.784 31.611 -9.320 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 -2.554 0.089 -2.046 2 H2 MET 1 HT2 MET 1 -2.468 -1.463 -2.699 3 H3 MET 1 HT3 MET 1 -3.045 -0.180 -3.637 4 HA MET 1 HA MET 1 -0.309 -0.440 -2.575 5 HB2 MET 1 HB2 MET 1 -1.329 -0.738 -5.434 6 HB3 MET 1 HB1 MET 1 0.359 -0.790 -4.948 7 HG2 MET 1 HG2 MET 1 -0.455 -3.027 -5.368 8 HG3 MET 1 HG1 MET 1 -0.099 -2.847 -3.648 9 HE1 MET 1 HE1 MET 1 -1.468 -5.077 -3.139 10 HE2 MET 1 HE2 MET 1 -1.888 -5.283 -4.841 11 HE3 MET 1 HE3 MET 1 -3.149 -5.328 -3.607 12 H GLN 2 HN GLN 2 0.161 1.594 -1.963 13 HA GLN 2 HA GLN 2 -0.902 3.946 -3.292 14 HB2 GLN 2 HB2 GLN 2 1.128 3.723 -1.024 15 HB3 GLN 2 HB1 GLN 2 0.324 5.202 -1.549 16 HG2 GLN 2 HG2 GLN 2 -1.848 4.306 -0.820 17 HG3 GLN 2 HG1 GLN 2 -1.082 2.786 -0.354 18 HE21 GLN 2 HE21 GLN 2 -1.705 2.944 1.816 19 HE22 GLN 2 HE22 GLN 2 -1.028 4.108 2.897 20 H LEU 3 HN LEU 3 0.037 3.603 -5.405 21 HA LEU 3 HA LEU 3 2.947 3.704 -5.701 22 HB2 LEU 3 HB2 LEU 3 1.228 2.325 -7.158 23 HB3 LEU 3 HB1 LEU 3 0.962 3.834 -7.998 24 HG LEU 3 HG LEU 3 2.519 2.330 -9.199 25 HD11 LEU 3 HD11 LEU 3 3.931 4.836 -8.273 26 HD12 LEU 3 HD12 LEU 3 2.748 4.724 -9.578 27 HD13 LEU 3 HD13 LEU 3 4.293 3.891 -9.725 28 HD21 LEU 3 HD21 LEU 3 4.392 2.654 -6.838 29 HD22 LEU 3 HD22 LEU 3 4.757 1.838 -8.362 30 HD23 LEU 3 HD23 LEU 3 3.523 1.185 -7.291 31 H GLN 4 HN GLN 4 3.933 5.617 -5.577 32 HA GLN 4 HA GLN 4 2.458 8.126 -6.099 33 HB2 GLN 4 HB2 GLN 4 5.036 7.670 -4.527 34 HB3 GLN 4 HB1 GLN 4 4.197 9.214 -4.697 35 HG2 GLN 4 HG2 GLN 4 2.232 8.235 -3.525 36 HG3 GLN 4 HG1 GLN 4 3.122 6.730 -3.322 37 HE21 GLN 4 HE21 GLN 4 4.568 9.952 -2.947 38 HE22 GLN 4 HE22 GLN 4 4.815 9.829 -1.244 39 H LEU 5 HN LEU 5 2.879 9.174 -7.925 40 HA LEU 5 HA LEU 5 5.424 8.768 -9.393 41 HB2 LEU 5 HB2 LEU 5 2.659 9.600 -10.348 42 HB3 LEU 5 HB1 LEU 5 4.083 9.612 -11.371 43 HG LEU 5 HG LEU 5 2.912 7.110 -10.090 44 HD11 LEU 5 HD11 LEU 5 2.660 8.110 -12.943 45 HD12 LEU 5 HD12 LEU 5 1.372 8.042 -11.736 46 HD13 LEU 5 HD13 LEU 5 2.095 6.552 -12.332 47 HD21 LEU 5 HD21 LEU 5 4.411 5.882 -11.618 48 HD22 LEU 5 HD22 LEU 5 5.328 6.902 -10.514 49 HD23 LEU 5 HD23 LEU 5 5.099 7.406 -12.191 50 H VAL 6 HN VAL 6 6.784 10.417 -8.997 51 HA VAL 6 HA VAL 6 5.803 13.141 -8.446 52 HB VAL 6 HB VAL 6 8.609 11.980 -8.046 53 HG11 VAL 6 HG11 VAL 6 9.055 14.043 -6.722 54 HG12 VAL 6 HG12 VAL 6 7.462 14.663 -7.159 55 HG13 VAL 6 HG13 VAL 6 8.685 14.422 -8.407 56 HG21 VAL 6 HG21 VAL 6 8.067 11.983 -5.624 57 HG22 VAL 6 HG22 VAL 6 6.980 10.924 -6.526 58 HG23 VAL 6 HG23 VAL 6 6.424 12.515 -5.995 59 H GLU 7 HN GLU 7 5.545 14.235 -10.284 60 HA GLU 7 HA GLU 7 7.233 13.789 -12.632 61 HB2 GLU 7 HB2 GLU 7 4.707 15.452 -12.265 62 HB3 GLU 7 HB1 GLU 7 5.572 15.253 -13.792 63 HG2 GLU 7 HG2 GLU 7 5.122 12.856 -13.781 64 HG3 GLU 7 HG1 GLU 7 4.338 12.985 -12.203 65 H SER 8 HN SER 8 8.491 15.294 -13.585 66 HA SER 8 HA SER 8 8.774 18.047 -12.707 67 HB2 SER 8 HB2 SER 8 11.068 16.043 -12.398 68 HB3 SER 8 HB1 SER 8 11.228 17.796 -12.224 69 HG SER 8 HG SER 8 9.484 16.186 -10.662 70 H GLY 9 HN GLY 9 9.724 19.314 -14.330 71 HA2 GLY 9 HA2 GLY 9 11.497 19.077 -16.203 72 HA3 GLY 9 HA1 GLY 9 10.324 17.966 -16.903 73 H GLY 10 HN GLY 10 8.039 19.553 -15.926 74 HA2 GLY 10 HA2 GLY 10 7.439 20.935 -18.273 75 HA3 GLY 10 HA1 GLY 10 6.571 21.086 -16.758 76 H GLY 11 HN GLY 11 7.852 22.899 -19.027 77 HA2 GLY 11 HA2 GLY 11 8.255 25.263 -17.428 78 HA3 GLY 11 HA1 GLY 11 9.751 24.645 -18.128 79 H LEU 12 HN LEU 12 9.409 26.974 -18.990 80 HA LEU 12 HA LEU 12 7.728 27.092 -21.376 81 HB2 LEU 12 HB2 LEU 12 7.937 29.048 -19.773 82 HB3 LEU 12 HB1 LEU 12 9.595 29.204 -20.304 83 HG LEU 12 HG LEU 12 8.684 29.490 -22.685 84 HD11 LEU 12 HD11 LEU 12 6.445 28.617 -22.314 85 HD12 LEU 12 HD12 LEU 12 6.382 30.275 -22.898 86 HD13 LEU 12 HD13 LEU 12 6.093 29.938 -21.192 87 HD21 LEU 12 HD21 LEU 12 9.622 31.381 -21.445 88 HD22 LEU 12 HD22 LEU 12 8.065 31.663 -20.661 89 HD23 LEU 12 HD23 LEU 12 8.231 31.885 -22.406 90 H VAL 13 HN VAL 13 8.513 26.348 -23.230 91 HA VAL 13 HA VAL 13 11.319 26.967 -23.994 92 HB VAL 13 HB VAL 13 11.334 24.956 -25.470 93 HG11 VAL 13 HG11 VAL 13 10.792 24.286 -22.549 94 HG12 VAL 13 HG12 VAL 13 12.345 24.764 -23.236 95 HG13 VAL 13 HG13 VAL 13 11.611 23.228 -23.704 96 HG21 VAL 13 HG21 VAL 13 8.909 24.699 -25.840 97 HG22 VAL 13 HG22 VAL 13 8.684 24.242 -24.150 98 HG23 VAL 13 HG23 VAL 13 9.599 23.189 -25.231 99 H GLN 14 HN GLN 14 11.597 27.475 -26.255 100 HA GLN 14 HA GLN 14 9.346 28.753 -27.540 101 HB2 GLN 14 HB2 GLN 14 10.872 29.397 -29.319 102 HB3 GLN 14 HB1 GLN 14 11.659 29.685 -27.780 103 HG2 GLN 14 HG2 GLN 14 12.210 27.275 -29.541 104 HG3 GLN 14 HG1 GLN 14 13.155 28.772 -29.568 105 HE21 GLN 14 HE21 GLN 14 12.386 25.874 -27.745 106 HE22 GLN 14 HE22 GLN 14 13.723 25.982 -26.649 107 H ALA 15 HN ALA 15 8.402 28.151 -29.527 108 HA ALA 15 HA ALA 15 7.904 25.459 -30.078 109 HB1 ALA 15 HB1 ALA 15 6.383 27.258 -30.757 110 HB2 ALA 15 HB2 ALA 15 6.831 26.270 -32.148 111 HB3 ALA 15 HB3 ALA 15 7.577 27.852 -31.913 112 H GLY 16 HN GLY 16 8.826 23.986 -31.466 113 HA2 GLY 16 HA2 GLY 16 10.366 23.138 -33.012 114 HA3 GLY 16 HA1 GLY 16 11.215 24.678 -33.031 115 H GLY 17 HN GLY 17 10.860 24.402 -29.897 116 HA2 GLY 17 HA2 GLY 17 13.546 23.400 -29.459 117 HA3 GLY 17 HA1 GLY 17 12.485 24.155 -28.280 118 H SER 18 HN SER 18 13.625 22.334 -27.074 119 HA SER 18 HA SER 18 12.006 19.854 -27.118 120 HB2 SER 18 HB2 SER 18 14.096 18.641 -26.427 121 HB3 SER 18 HB1 SER 18 14.238 19.374 -28.027 122 HG SER 18 HG SER 18 16.078 19.910 -26.949 123 H LEU 19 HN LEU 19 11.699 18.862 -25.061 124 HA LEU 19 HA LEU 19 12.648 20.091 -22.619 125 HB2 LEU 19 HB2 LEU 19 10.587 21.422 -23.262 126 HB3 LEU 19 HB1 LEU 19 9.647 19.942 -23.164 127 HG LEU 19 HG LEU 19 10.216 19.769 -20.733 128 HD11 LEU 19 HD11 LEU 19 11.525 22.480 -21.099 129 HD12 LEU 19 HD12 LEU 19 12.340 20.963 -20.705 130 HD13 LEU 19 HD13 LEU 19 11.213 21.679 -19.557 131 HD21 LEU 19 HD21 LEU 19 8.104 20.800 -21.414 132 HD22 LEU 19 HD22 LEU 19 8.887 22.380 -21.521 133 HD23 LEU 19 HD23 LEU 19 8.739 21.570 -19.959 134 H ARG 20 HN ARG 20 13.131 18.423 -21.289 135 HA ARG 20 HA ARG 20 11.993 15.767 -21.860 136 HB2 ARG 20 HB2 ARG 20 14.499 16.036 -21.774 137 HB3 ARG 20 HB1 ARG 20 14.358 16.438 -20.065 138 HG2 ARG 20 HG2 ARG 20 12.972 14.021 -20.221 139 HG3 ARG 20 HG1 ARG 20 14.251 13.801 -21.415 140 HD2 ARG 20 HD2 ARG 20 15.037 12.947 -19.310 141 HD3 ARG 20 HD1 ARG 20 15.916 14.445 -19.640 142 HE ARG 20 HE ARG 20 13.597 14.949 -18.059 143 HH11 ARG 20 HH11 ARG 20 16.897 13.745 -17.791 144 HH12 ARG 20 HH12 ARG 20 17.004 14.084 -16.096 145 HH21 ARG 20 HH21 ARG 20 13.764 15.368 -15.823 146 HH22 ARG 20 HH22 ARG 20 15.241 15.010 -14.989 147 H LEU 21 HN LEU 21 10.306 15.214 -20.691 148 HA LEU 21 HA LEU 21 9.876 16.093 -17.952 149 HB2 LEU 21 HB2 LEU 21 8.234 14.286 -19.786 150 HB3 LEU 21 HB1 LEU 21 7.758 14.723 -18.157 151 HG LEU 21 HG LEU 21 6.480 16.081 -19.658 152 HD11 LEU 21 HD11 LEU 21 8.683 17.806 -18.524 153 HD12 LEU 21 HD12 LEU 21 7.251 17.234 -17.666 154 HD13 LEU 21 HD13 LEU 21 7.076 18.346 -19.020 155 HD21 LEU 21 HD21 LEU 21 7.427 17.555 -21.363 156 HD22 LEU 21 HD22 LEU 21 7.844 15.871 -21.675 157 HD23 LEU 21 HD23 LEU 21 9.052 16.963 -20.995 158 H SER 22 HN SER 22 9.563 14.544 -16.243 159 HA SER 22 HA SER 22 10.628 11.851 -16.489 160 HB2 SER 22 HB2 SER 22 12.299 12.314 -14.595 161 HB3 SER 22 HB1 SER 22 12.717 13.023 -16.154 162 HG SER 22 HG SER 22 11.196 14.641 -14.493 163 H CYS 23 HN CYS 23 9.667 10.537 -15.020 164 HA CYS 23 HA CYS 23 8.102 11.692 -12.794 165 HB2 CYS 23 HB2 CYS 23 6.596 11.234 -14.716 166 HB3 CYS 23 HB1 CYS 23 7.135 9.557 -14.747 167 HG CYS 23 HG CYS 23 5.002 8.953 -13.442 168 H VAL 24 HN VAL 24 9.267 10.957 -11.132 169 HA VAL 24 HA VAL 24 10.573 8.348 -11.133 170 HB VAL 24 HB VAL 24 10.543 10.483 -8.948 171 HG11 VAL 24 HG11 VAL 24 12.643 9.410 -8.177 172 HG12 VAL 24 HG12 VAL 24 12.477 8.181 -9.433 173 HG13 VAL 24 HG13 VAL 24 11.284 8.281 -8.135 174 HG21 VAL 24 HG21 VAL 24 11.403 11.458 -11.055 175 HG22 VAL 24 HG22 VAL 24 12.585 10.153 -11.184 176 HG23 VAL 24 HG23 VAL 24 12.685 11.303 -9.851 177 H ALA 25 HN ALA 25 9.710 6.561 -10.120 178 HA ALA 25 HA ALA 25 7.115 6.820 -8.801 179 HB1 ALA 25 HB1 ALA 25 7.021 4.363 -8.964 180 HB2 ALA 25 HB2 ALA 25 8.679 4.329 -9.578 181 HB3 ALA 25 HB3 ALA 25 7.400 5.092 -10.525 182 H SER 26 HN SER 26 7.494 7.669 -6.847 183 HA SER 26 HA SER 26 8.096 7.957 -4.688 184 HB2 SER 26 HB2 SER 26 6.351 6.213 -4.601 185 HB3 SER 26 HB1 SER 26 7.588 4.962 -4.684 186 HG SER 26 HG SER 26 8.314 5.551 -2.678 187 H GLY 27 HN GLY 27 10.357 8.236 -5.870 188 HA2 GLY 27 HA2 GLY 27 12.635 8.263 -5.514 189 HA3 GLY 27 HA1 GLY 27 12.419 7.159 -4.157 190 H ARG 28 HN ARG 28 12.050 4.875 -4.677 191 HA ARG 28 HA ARG 28 12.712 3.859 -7.322 192 HB2 ARG 28 HB2 ARG 28 14.520 3.439 -4.899 193 HB3 ARG 28 HB1 ARG 28 14.481 2.272 -6.217 194 HG2 ARG 28 HG2 ARG 28 15.286 3.933 -7.790 195 HG3 ARG 28 HG1 ARG 28 15.174 5.204 -6.577 196 HD2 ARG 28 HD2 ARG 28 17.004 2.797 -6.324 197 HD3 ARG 28 HD1 ARG 28 17.510 4.341 -7.014 198 HE ARG 28 HE ARG 28 16.790 3.820 -4.201 199 HH11 ARG 28 HH11 ARG 28 18.121 6.049 -6.588 200 HH12 ARG 28 HH12 ARG 28 18.736 7.141 -5.396 201 HH21 ARG 28 HH21 ARG 28 17.601 5.279 -2.657 202 HH22 ARG 28 HH22 ARG 28 18.450 6.705 -3.164 203 H THR 29 HN THR 29 10.473 3.202 -7.086 204 HA THR 29 HA THR 29 10.407 0.465 -6.021 205 HB THR 29 HB THR 29 9.119 1.894 -4.388 206 HG1 THR 29 HG1 THR 29 7.228 0.497 -4.485 207 HG21 THR 29 HG21 THR 29 7.182 2.313 -6.701 208 HG22 THR 29 HG22 THR 29 8.176 3.570 -5.960 209 HG23 THR 29 HG23 THR 29 6.910 2.779 -5.021 210 H PHE 30 HN PHE 30 9.254 -0.976 -7.348 211 HA PHE 30 HA PHE 30 8.088 0.143 -9.832 212 HB2 PHE 30 HB2 PHE 30 10.353 -0.804 -10.289 213 HB3 PHE 30 HB1 PHE 30 9.839 -2.355 -9.639 214 HD1 PHE 30 HD1 PHE 30 8.761 -3.955 -11.067 215 HD2 PHE 30 HD2 PHE 30 9.144 0.101 -12.381 216 HE1 PHE 30 HE1 PHE 30 7.952 -4.596 -13.302 217 HE2 PHE 30 HE2 PHE 30 8.336 -0.551 -14.610 218 HZ PHE 30 HZ PHE 30 7.738 -2.896 -15.074 219 H ARG 31 HN ARG 31 6.006 -0.277 -9.759 220 HA ARG 31 HA ARG 31 5.085 -3.063 -9.538 221 HB2 ARG 31 HB2 ARG 31 3.719 -0.708 -8.142 222 HB3 ARG 31 HB1 ARG 31 2.999 -2.302 -8.350 223 HG2 ARG 31 HG2 ARG 31 4.992 -3.212 -7.006 224 HG3 ARG 31 HG1 ARG 31 5.346 -1.528 -6.602 225 HD2 ARG 31 HD2 ARG 31 4.020 -2.608 -4.829 226 HD3 ARG 31 HD1 ARG 31 3.109 -1.298 -5.587 227 HE ARG 31 HE ARG 31 1.845 -2.960 -6.820 228 HH11 ARG 31 HH11 ARG 31 3.679 -4.247 -4.091 229 HH12 ARG 31 HH12 ARG 31 2.696 -5.666 -3.957 230 HH21 ARG 31 HH21 ARG 31 0.607 -4.838 -6.651 231 HH22 ARG 31 HH22 ARG 31 0.952 -6.002 -5.416 232 H SER 32 HN SER 32 5.459 -0.427 -11.354 233 HA SER 32 HA SER 32 2.849 -0.077 -12.522 234 HB2 SER 32 HB2 SER 32 5.534 1.071 -13.381 235 HB3 SER 32 HB1 SER 32 3.939 1.655 -13.852 236 HG SER 32 HG SER 32 4.542 2.950 -12.199 237 H ASN 33 HN ASN 33 2.361 -2.071 -13.388 238 HA ASN 33 HA ASN 33 3.952 -3.362 -15.449 239 HB2 ASN 33 HB2 ASN 33 1.147 -3.899 -14.370 240 HB3 ASN 33 HB1 ASN 33 1.965 -4.919 -15.547 241 HD21 ASN 33 HD21 ASN 33 1.956 -3.839 -12.207 242 HD22 ASN 33 HD22 ASN 33 2.948 -5.116 -11.599 243 H ALA 34 HN ALA 34 1.346 -1.121 -15.177 244 HA ALA 34 HA ALA 34 1.241 -0.698 -18.104 245 HB1 ALA 34 HB1 ALA 34 -1.146 -0.048 -17.845 246 HB2 ALA 34 HB2 ALA 34 -1.083 -0.466 -16.128 247 HB3 ALA 34 HB3 ALA 34 -0.887 -1.722 -17.351 248 H MET 35 HN MET 35 1.349 1.472 -18.706 249 HA MET 35 HA MET 35 1.213 3.648 -16.766 250 HB2 MET 35 HB2 MET 35 3.833 2.838 -18.089 251 HB3 MET 35 HB1 MET 35 3.541 4.522 -17.691 252 HG2 MET 35 HG2 MET 35 3.637 4.139 -15.398 253 HG3 MET 35 HG1 MET 35 3.269 2.423 -15.555 254 HE1 MET 35 HE1 MET 35 5.228 1.332 -17.742 255 HE2 MET 35 HE2 MET 35 4.969 0.570 -16.173 256 HE3 MET 35 HE3 MET 35 6.608 0.866 -16.748 257 H GLY 36 HN GLY 36 1.338 5.782 -17.853 258 HA2 GLY 36 HA2 GLY 36 1.360 5.932 -20.721 259 HA3 GLY 36 HA1 GLY 36 -0.275 6.032 -20.072 260 H TRP 37 HN TRP 37 1.834 7.964 -21.375 261 HA TRP 37 HA TRP 37 1.442 10.244 -19.559 262 HB2 TRP 37 HB2 TRP 37 2.785 10.074 -22.304 263 HB3 TRP 37 HB1 TRP 37 2.614 11.560 -21.379 264 HD1 TRP 37 HD1 TRP 37 4.708 8.388 -21.561 265 HE1 TRP 37 HE1 TRP 37 6.716 8.607 -19.981 266 HE3 TRP 37 HE3 TRP 37 3.341 12.674 -19.089 267 HZ2 TRP 37 HZ2 TRP 37 7.609 10.343 -17.942 268 HZ3 TRP 37 HZ3 TRP 37 4.841 13.552 -17.336 269 HH2 TRP 37 HH2 TRP 37 6.936 12.406 -16.776 270 H PHE 38 HN PHE 38 -0.296 11.467 -19.720 271 HA PHE 38 HA PHE 38 -1.980 11.466 -22.155 272 HB2 PHE 38 HB2 PHE 38 -2.828 11.956 -19.249 273 HB3 PHE 38 HB1 PHE 38 -3.891 12.032 -20.648 274 HD1 PHE 38 HD1 PHE 38 -4.999 10.070 -21.415 275 HD2 PHE 38 HD2 PHE 38 -1.743 9.683 -18.673 276 HE1 PHE 38 HE1 PHE 38 -5.498 7.681 -21.145 277 HE2 PHE 38 HE2 PHE 38 -2.248 7.293 -18.419 278 HZ PHE 38 HZ PHE 38 -4.124 6.288 -19.654 279 H ARG 39 HN ARG 39 -2.641 13.468 -22.910 280 HA ARG 39 HA ARG 39 -1.447 15.902 -21.724 281 HB2 ARG 39 HB2 ARG 39 -2.026 16.990 -23.896 282 HB3 ARG 39 HB1 ARG 39 -0.952 15.625 -24.092 283 HG2 ARG 39 HG2 ARG 39 -2.314 14.865 -25.718 284 HG3 ARG 39 HG1 ARG 39 -3.510 14.511 -24.477 285 HD2 ARG 39 HD2 ARG 39 -3.328 17.212 -25.862 286 HD3 ARG 39 HD1 ARG 39 -4.313 15.884 -26.478 287 HE ARG 39 HE ARG 39 -4.783 16.772 -23.733 288 HH11 ARG 39 HH11 ARG 39 -5.889 16.848 -27.033 289 HH12 ARG 39 HH12 ARG 39 -7.499 17.321 -26.601 290 HH21 ARG 39 HH21 ARG 39 -6.897 17.310 -23.163 291 HH22 ARG 39 HH22 ARG 39 -8.078 17.576 -24.407 292 H GLN 40 HN GLN 40 -2.784 17.545 -20.992 293 HA GLN 40 HA GLN 40 -5.691 17.343 -21.423 294 HB2 GLN 40 HB2 GLN 40 -5.220 16.221 -19.255 295 HB3 GLN 40 HB1 GLN 40 -4.351 17.639 -18.685 296 HG2 GLN 40 HG2 GLN 40 -6.413 18.943 -18.684 297 HG3 GLN 40 HG1 GLN 40 -7.300 17.590 -19.388 298 HE21 GLN 40 HE21 GLN 40 -8.757 17.517 -17.669 299 HE22 GLN 40 HE22 GLN 40 -8.331 16.936 -16.100 300 H ALA 41 HN ALA 41 -6.478 19.280 -21.958 301 HA ALA 41 HA ALA 41 -4.746 21.653 -21.845 302 HB1 ALA 41 HB1 ALA 41 -6.340 22.585 -23.488 303 HB2 ALA 41 HB2 ALA 41 -7.340 21.140 -23.345 304 HB3 ALA 41 HB3 ALA 41 -5.715 21.023 -24.017 305 HA PRO 42 HA PRO 42 -6.992 23.794 -18.562 306 HB2 PRO 42 HB2 PRO 42 -7.691 26.226 -19.857 307 HB3 PRO 42 HB1 PRO 42 -6.183 25.901 -18.998 308 HG2 PRO 42 HG2 PRO 42 -6.766 25.715 -21.943 309 HG3 PRO 42 HG1 PRO 42 -5.323 26.349 -21.123 310 HD2 PRO 42 HD2 PRO 42 -5.247 23.931 -22.231 311 HD3 PRO 42 HD1 PRO 42 -4.496 24.188 -20.636 312 H GLY 43 HN GLY 43 -8.897 22.891 -18.026 313 HA2 GLY 43 HA2 GLY 43 -11.185 22.663 -17.833 314 HA3 GLY 43 HA1 GLY 43 -11.388 23.874 -19.087 315 H LYS 44 HN LYS 44 -9.440 21.057 -19.676 316 HA LYS 44 HA LYS 44 -11.554 19.841 -21.364 317 HB2 LYS 44 HB2 LYS 44 -8.623 20.291 -22.053 318 HB3 LYS 44 HB1 LYS 44 -9.659 19.199 -22.961 319 HG2 LYS 44 HG2 LYS 44 -10.619 22.027 -22.651 320 HG3 LYS 44 HG1 LYS 44 -9.221 21.769 -23.690 321 HD2 LYS 44 HD2 LYS 44 -11.278 21.762 -25.022 322 HD3 LYS 44 HD1 LYS 44 -10.520 20.173 -25.064 323 HE2 LYS 44 HE2 LYS 44 -12.169 19.346 -23.417 324 HE3 LYS 44 HE1 LYS 44 -12.918 20.942 -23.359 325 HZ1 LYS 44 HZ1 LYS 44 -13.456 20.711 -25.705 326 HZ2 LYS 44 HZ2 LYS 44 -14.135 19.461 -24.789 327 HZ3 LYS 44 HZ3 LYS 44 -12.762 19.175 -25.735 328 H GLU 45 HN GLU 45 -10.828 17.608 -22.064 329 HA GLU 45 HA GLU 45 -10.444 15.958 -19.742 330 HB2 GLU 45 HB2 GLU 45 -10.914 14.079 -21.220 331 HB3 GLU 45 HB1 GLU 45 -12.043 15.373 -21.585 332 HG2 GLU 45 HG2 GLU 45 -9.565 14.733 -23.227 333 HG3 GLU 45 HG1 GLU 45 -11.187 14.150 -23.599 334 H ARG 46 HN ARG 46 -8.881 14.151 -19.651 335 HA ARG 46 HA ARG 46 -6.271 14.830 -20.805 336 HB2 ARG 46 HB2 ARG 46 -5.196 13.352 -19.279 337 HB3 ARG 46 HB1 ARG 46 -6.356 14.275 -18.350 338 HG2 ARG 46 HG2 ARG 46 -6.750 11.394 -19.231 339 HG3 ARG 46 HG1 ARG 46 -6.125 11.889 -17.659 340 HD2 ARG 46 HD2 ARG 46 -8.252 13.010 -17.151 341 HD3 ARG 46 HD1 ARG 46 -8.881 12.564 -18.743 342 HE ARG 46 HE ARG 46 -8.103 10.202 -17.537 343 HH11 ARG 46 HH11 ARG 46 -10.455 12.703 -16.794 344 HH12 ARG 46 HH12 ARG 46 -11.521 11.604 -15.981 345 HH21 ARG 46 HH21 ARG 46 -9.529 8.786 -16.492 346 HH22 ARG 46 HH22 ARG 46 -11.000 9.400 -15.805 347 H GLU 47 HN GLU 47 -6.013 14.176 -22.769 348 HA GLU 47 HA GLU 47 -7.203 11.749 -23.846 349 HB2 GLU 47 HB2 GLU 47 -7.474 13.784 -25.164 350 HB3 GLU 47 HB1 GLU 47 -5.745 14.088 -25.144 351 HG2 GLU 47 HG2 GLU 47 -6.451 13.278 -27.328 352 HG3 GLU 47 HG1 GLU 47 -5.366 12.118 -26.569 353 H PHE 48 HN PHE 48 -6.068 10.020 -24.462 354 HA PHE 48 HA PHE 48 -3.554 9.388 -23.329 355 HB2 PHE 48 HB2 PHE 48 -5.321 7.727 -23.663 356 HB3 PHE 48 HB1 PHE 48 -5.292 7.981 -25.402 357 HD1 PHE 48 HD1 PHE 48 -3.804 6.724 -26.786 358 HD2 PHE 48 HD2 PHE 48 -3.295 6.657 -22.542 359 HE1 PHE 48 HE1 PHE 48 -2.172 4.903 -27.008 360 HE2 PHE 48 HE2 PHE 48 -1.667 4.835 -22.774 361 HZ PHE 48 HZ PHE 48 -1.102 3.963 -25.005 362 H VAL 49 HN VAL 49 -1.602 9.955 -24.060 363 HA VAL 49 HA VAL 49 -1.127 10.595 -26.898 364 HB VAL 49 HB VAL 49 0.784 10.936 -24.532 365 HG11 VAL 49 HG11 VAL 49 2.075 12.440 -26.024 366 HG12 VAL 49 HG12 VAL 49 0.965 12.088 -27.350 367 HG13 VAL 49 HG13 VAL 49 1.981 10.805 -26.687 368 HG21 VAL 49 HG21 VAL 49 -0.997 13.033 -25.821 369 HG22 VAL 49 HG22 VAL 49 0.221 13.341 -24.579 370 HG23 VAL 49 HG23 VAL 49 -1.191 12.352 -24.203 371 H ALA 50 HN ALA 50 0.452 8.764 -24.252 372 HA ALA 50 HA ALA 50 1.315 6.653 -26.084 373 HB1 ALA 50 HB1 ALA 50 3.314 8.314 -24.506 374 HB2 ALA 50 HB2 ALA 50 3.099 8.350 -26.257 375 HB3 ALA 50 HB3 ALA 50 3.691 6.883 -25.473 376 H ALA 51 HN ALA 51 2.230 4.780 -24.943 377 HA ALA 51 HA ALA 51 1.661 4.658 -22.041 378 HB1 ALA 51 HB1 ALA 51 -0.226 3.578 -23.208 379 HB2 ALA 51 HB2 ALA 51 0.698 2.419 -22.259 380 HB3 ALA 51 HB3 ALA 51 0.890 2.475 -24.013 381 H ILE 52 HN ILE 52 3.029 3.501 -20.850 382 HA ILE 52 HA ILE 52 5.338 2.177 -22.133 383 HB ILE 52 HB ILE 52 5.247 3.476 -19.365 384 HG12 ILE 52 HG12 ILE 52 7.110 4.976 -20.415 385 HG13 ILE 52 HG11 ILE 52 6.515 4.417 -21.973 386 HG21 ILE 52 HG21 ILE 52 7.559 2.109 -20.782 387 HG22 ILE 52 HG22 ILE 52 6.683 1.490 -19.381 388 HG23 ILE 52 HG23 ILE 52 7.656 2.954 -19.235 389 HD11 ILE 52 HD11 ILE 52 5.638 6.592 -21.398 390 HD12 ILE 52 HD12 ILE 52 4.946 5.953 -19.909 391 HD13 ILE 52 HD13 ILE 52 4.334 5.408 -21.473 392 H ARG 53 HN ARG 53 5.406 0.074 -21.850 393 HA ARG 53 HA ARG 53 3.741 -1.262 -19.798 394 HB2 ARG 53 HB2 ARG 53 4.185 -2.113 -22.702 395 HB3 ARG 53 HB1 ARG 53 3.304 -3.052 -21.494 396 HG2 ARG 53 HG2 ARG 53 1.634 -1.236 -21.303 397 HG3 ARG 53 HG1 ARG 53 2.513 -0.303 -22.515 398 HD2 ARG 53 HD2 ARG 53 0.586 -1.410 -23.520 399 HD3 ARG 53 HD1 ARG 53 2.082 -2.074 -24.185 400 HE ARG 53 HE ARG 53 0.369 -3.406 -22.157 401 HH11 ARG 53 HH11 ARG 53 2.751 -3.673 -24.731 402 HH12 ARG 53 HH12 ARG 53 2.562 -5.388 -24.892 403 HH21 ARG 53 HH21 ARG 53 0.123 -5.666 -22.403 404 HH22 ARG 53 HH22 ARG 53 1.089 -6.514 -23.570 405 H TRP 54 HN TRP 54 4.497 -3.747 -19.828 406 HA TRP 54 HA TRP 54 7.026 -4.187 -18.851 407 HB2 TRP 54 HB2 TRP 54 5.541 -6.121 -20.679 408 HB3 TRP 54 HB1 TRP 54 6.748 -6.542 -19.467 409 HD1 TRP 54 HD1 TRP 54 5.936 -6.319 -16.839 410 HE1 TRP 54 HE1 TRP 54 3.600 -6.585 -15.814 411 HE3 TRP 54 HE3 TRP 54 3.109 -5.720 -21.064 412 HZ2 TRP 54 HZ2 TRP 54 0.914 -6.523 -16.657 413 HZ3 TRP 54 HZ3 TRP 54 0.658 -5.833 -20.860 414 HH2 TRP 54 HH2 TRP 54 -0.414 -6.231 -18.702 415 H SER 55 HN SER 55 8.907 -5.337 -19.836 416 HA SER 55 HA SER 55 10.104 -4.031 -22.002 417 HB2 SER 55 HB2 SER 55 11.355 -5.294 -20.257 418 HB3 SER 55 HB1 SER 55 10.743 -6.812 -20.917 419 HG SER 55 HG SER 55 12.372 -6.739 -22.219 420 H GLY 56 HN GLY 56 10.006 -4.286 -24.168 421 HA2 GLY 56 HA2 GLY 56 9.620 -5.531 -26.193 422 HA3 GLY 56 HA1 GLY 56 8.442 -6.524 -25.345 423 H GLY 57 HN GLY 57 7.492 -3.849 -24.054 424 HA2 GLY 57 HA2 GLY 57 5.734 -2.952 -26.276 425 HA3 GLY 57 HA1 GLY 57 5.354 -2.861 -24.559 426 H SER 58 HN SER 58 5.158 -0.730 -24.118 427 HA SER 58 HA SER 58 5.728 1.382 -23.594 428 HB2 SER 58 HB2 SER 58 8.584 0.407 -23.984 429 HB3 SER 58 HB1 SER 58 8.112 1.888 -23.147 430 HG SER 58 HG SER 58 7.765 -0.793 -22.355 431 H THR 59 HN THR 59 4.735 1.393 -26.000 432 HA THR 59 HA THR 59 6.094 3.488 -27.427 433 HB THR 59 HB THR 59 5.525 1.357 -29.441 434 HG1 THR 59 HG1 THR 59 7.615 0.916 -27.561 435 HG21 THR 59 HG21 THR 59 8.019 3.008 -28.937 436 HG22 THR 59 HG22 THR 59 6.687 3.479 -29.995 437 HG23 THR 59 HG23 THR 59 7.667 2.061 -30.384 438 H TYR 60 HN TYR 60 4.514 4.830 -27.907 439 HA TYR 60 HA TYR 60 2.338 4.109 -29.653 440 HB2 TYR 60 HB2 TYR 60 1.784 5.003 -26.811 441 HB3 TYR 60 HB1 TYR 60 0.736 5.600 -28.082 442 HD1 TYR 60 HD1 TYR 60 1.425 2.843 -25.859 443 HD2 TYR 60 HD2 TYR 60 -0.562 3.888 -29.495 444 HE1 TYR 60 HE1 TYR 60 0.008 0.850 -25.662 445 HE2 TYR 60 HE2 TYR 60 -1.977 1.886 -29.298 446 HH TYR 60 HH TYR 60 -2.247 0.112 -26.456 447 H TYR 61 HN TYR 61 2.287 5.681 -31.126 448 HA TYR 61 HA TYR 61 2.431 8.465 -30.535 449 HB2 TYR 61 HB2 TYR 61 4.474 8.984 -31.897 450 HB3 TYR 61 HB1 TYR 61 4.851 8.074 -30.441 451 HD1 TYR 61 HD1 TYR 61 4.778 7.966 -34.131 452 HD2 TYR 61 HD2 TYR 61 5.648 5.722 -30.595 453 HE1 TYR 61 HE1 TYR 61 5.971 6.299 -35.483 454 HE2 TYR 61 HE2 TYR 61 6.846 4.060 -31.949 455 HH TYR 61 HH TYR 61 6.834 3.257 -34.295 456 H ALA 62 HN ALA 62 1.477 9.625 -32.133 457 HA ALA 62 HA ALA 62 0.560 8.422 -34.592 458 HB1 ALA 62 HB1 ALA 62 -0.263 10.700 -35.112 459 HB2 ALA 62 HB2 ALA 62 0.585 11.334 -33.697 460 HB3 ALA 62 HB3 ALA 62 -0.748 10.195 -33.492 461 H ASP 63 HN ASP 63 1.249 9.180 -36.746 462 HA ASP 63 HA ASP 63 4.052 9.411 -37.126 463 HB2 ASP 63 HB2 ASP 63 2.627 8.439 -38.864 464 HB3 ASP 63 HB1 ASP 63 1.767 9.962 -39.064 465 H SER 64 HN SER 64 1.511 11.763 -36.749 466 HA SER 64 HA SER 64 2.791 14.127 -37.581 467 HB2 SER 64 HB2 SER 64 0.372 13.966 -37.187 468 HB3 SER 64 HB1 SER 64 0.642 13.691 -35.465 469 HG SER 64 HG SER 64 1.707 15.981 -36.681 470 H VAL 65 HN VAL 65 2.931 12.345 -34.519 471 HA VAL 65 HA VAL 65 4.822 14.336 -33.382 472 HB VAL 65 HB VAL 65 4.280 13.442 -31.145 473 HG11 VAL 65 HG11 VAL 65 1.967 14.312 -30.939 474 HG12 VAL 65 HG12 VAL 65 1.787 14.249 -32.694 475 HG13 VAL 65 HG13 VAL 65 2.963 15.348 -31.968 476 HG21 VAL 65 HG21 VAL 65 3.733 11.111 -31.708 477 HG22 VAL 65 HG22 VAL 65 2.274 11.631 -32.553 478 HG23 VAL 65 HG23 VAL 65 2.402 11.841 -30.805 479 H LYS 66 HN LYS 66 5.139 11.831 -35.235 480 HA LYS 66 HA LYS 66 6.845 9.998 -33.858 481 HB2 LYS 66 HB2 LYS 66 5.597 9.381 -35.892 482 HB3 LYS 66 HB1 LYS 66 6.477 10.563 -36.838 483 HG2 LYS 66 HG2 LYS 66 7.955 8.289 -35.497 484 HG3 LYS 66 HG1 LYS 66 7.070 7.999 -36.993 485 HD2 LYS 66 HD2 LYS 66 9.328 10.009 -36.626 486 HD3 LYS 66 HD1 LYS 66 9.468 8.435 -37.410 487 HE2 LYS 66 HE2 LYS 66 7.749 10.754 -38.375 488 HE3 LYS 66 HE1 LYS 66 9.295 10.257 -39.062 489 HZ1 LYS 66 HZ1 LYS 66 7.575 9.373 -40.408 490 HZ2 LYS 66 HZ2 LYS 66 6.748 8.726 -39.086 491 HZ3 LYS 66 HZ3 LYS 66 8.239 8.073 -39.559 492 H GLY 67 HN GLY 67 9.027 10.052 -33.570 493 HA2 GLY 67 HA2 GLY 67 11.219 10.765 -33.594 494 HA3 GLY 67 HA1 GLY 67 10.852 11.803 -34.960 495 H ARG 68 HN ARG 68 8.656 12.458 -32.589 496 HA ARG 68 HA ARG 68 10.101 14.867 -31.665 497 HB2 ARG 68 HB2 ARG 68 7.121 14.339 -32.053 498 HB3 ARG 68 HB1 ARG 68 7.790 15.816 -31.362 499 HG2 ARG 68 HG2 ARG 68 8.876 16.357 -33.478 500 HG3 ARG 68 HG1 ARG 68 8.319 14.830 -34.179 501 HD2 ARG 68 HD2 ARG 68 6.946 16.848 -34.815 502 HD3 ARG 68 HD1 ARG 68 6.020 15.529 -34.091 503 HE ARG 68 HE ARG 68 6.895 17.517 -32.189 504 HH11 ARG 68 HH11 ARG 68 4.287 16.675 -34.415 505 HH12 ARG 68 HH12 ARG 68 3.141 17.716 -33.635 506 HH21 ARG 68 HH21 ARG 68 5.388 18.865 -31.204 507 HH22 ARG 68 HH22 ARG 68 3.761 18.945 -31.800 508 H PHE 69 HN PHE 69 7.230 13.049 -30.578 509 HA PHE 69 HA PHE 69 7.986 13.362 -27.780 510 HB2 PHE 69 HB2 PHE 69 5.510 12.328 -29.220 511 HB3 PHE 69 HB1 PHE 69 5.687 12.197 -27.469 512 HD1 PHE 69 HD1 PHE 69 4.882 13.971 -26.131 513 HD2 PHE 69 HD2 PHE 69 5.843 14.753 -30.227 514 HE1 PHE 69 HE1 PHE 69 4.028 16.267 -25.906 515 HE2 PHE 69 HE2 PHE 69 4.989 17.044 -29.990 516 HZ PHE 69 HZ PHE 69 4.083 17.803 -27.830 517 H THR 70 HN THR 70 9.098 11.859 -26.745 518 HA THR 70 HA THR 70 9.297 9.094 -27.795 519 HB THR 70 HB THR 70 11.615 10.718 -26.619 520 HG1 THR 70 HG1 THR 70 10.777 11.485 -28.727 521 HG21 THR 70 HG21 THR 70 13.027 8.923 -27.583 522 HG22 THR 70 HG22 THR 70 11.581 8.082 -28.148 523 HG23 THR 70 HG23 THR 70 11.876 8.263 -26.417 524 H ILE 71 HN ILE 71 8.969 7.580 -26.238 525 HA ILE 71 HA ILE 71 8.992 8.415 -23.400 526 HB ILE 71 HB ILE 71 7.343 6.681 -22.874 527 HG12 ILE 71 HG12 ILE 71 7.841 5.118 -24.824 528 HG13 ILE 71 HG11 ILE 71 6.143 5.338 -24.455 529 HG21 ILE 71 HG21 ILE 71 6.375 8.592 -25.016 530 HG22 ILE 71 HG22 ILE 71 6.565 8.934 -23.296 531 HG23 ILE 71 HG23 ILE 71 5.356 7.767 -23.829 532 HD11 ILE 71 HD11 ILE 71 7.645 6.588 -26.749 533 HD12 ILE 71 HD12 ILE 71 5.941 6.856 -26.379 534 HD13 ILE 71 HD13 ILE 71 6.506 5.248 -26.830 535 H SER 72 HN SER 72 10.075 7.233 -21.968 536 HA SER 72 HA SER 72 11.326 4.678 -22.652 537 HB2 SER 72 HB2 SER 72 12.916 7.109 -21.690 538 HB3 SER 72 HB1 SER 72 13.561 5.476 -21.875 539 HG SER 72 HG SER 72 12.457 6.073 -24.182 540 H ARG 73 HN ARG 73 11.744 3.429 -20.812 541 HA ARG 73 HA ARG 73 11.152 4.611 -18.157 542 HB2 ARG 73 HB2 ARG 73 9.371 3.005 -18.853 543 HB3 ARG 73 HB1 ARG 73 10.586 1.751 -19.050 544 HG2 ARG 73 HG2 ARG 73 11.131 2.066 -16.561 545 HG3 ARG 73 HG1 ARG 73 9.677 3.064 -16.466 546 HD2 ARG 73 HD2 ARG 73 9.194 0.770 -15.757 547 HD3 ARG 73 HD1 ARG 73 8.328 1.135 -17.256 548 HE ARG 73 HE ARG 73 10.892 -0.070 -17.709 549 HH11 ARG 73 HH11 ARG 73 7.538 -0.881 -16.998 550 HH12 ARG 73 HH12 ARG 73 7.669 -2.471 -17.670 551 HH21 ARG 73 HH21 ARG 73 11.048 -2.113 -18.578 552 HH22 ARG 73 HH22 ARG 73 9.678 -3.178 -18.558 553 H ASP 74 HN ASP 74 12.796 4.514 -16.827 554 HA ASP 74 HA ASP 74 15.050 2.689 -17.267 555 HB2 ASP 74 HB2 ASP 74 15.500 5.152 -16.928 556 HB3 ASP 74 HB1 ASP 74 14.819 5.035 -15.311 557 H ASN 75 HN ASN 75 15.305 0.953 -15.970 558 HA ASN 75 HA ASN 75 13.331 0.359 -13.903 559 HB2 ASN 75 HB2 ASN 75 13.948 -1.353 -15.607 560 HB3 ASN 75 HB1 ASN 75 15.601 -1.359 -15.008 561 HD21 ASN 75 HD21 ASN 75 15.677 -3.456 -14.303 562 HD22 ASN 75 HD22 ASN 75 14.686 -4.110 -13.051 563 H ALA 76 HN ALA 76 16.697 1.308 -14.102 564 HA ALA 76 HA ALA 76 17.720 0.156 -11.741 565 HB1 ALA 76 HB1 ALA 76 19.605 1.704 -12.002 566 HB2 ALA 76 HB2 ALA 76 18.681 2.664 -13.162 567 HB3 ALA 76 HB3 ALA 76 19.144 1.008 -13.556 568 H LYS 77 HN LYS 77 16.479 3.507 -12.293 569 HA LYS 77 HA LYS 77 16.008 3.721 -9.370 570 HB2 LYS 77 HB2 LYS 77 16.129 6.200 -9.561 571 HB3 LYS 77 HB1 LYS 77 17.651 5.393 -9.880 572 HG2 LYS 77 HG2 LYS 77 15.857 6.321 -12.137 573 HG3 LYS 77 HG1 LYS 77 16.982 7.423 -11.335 574 HD2 LYS 77 HD2 LYS 77 18.843 5.790 -11.892 575 HD3 LYS 77 HD1 LYS 77 17.667 4.881 -12.845 576 HE2 LYS 77 HE2 LYS 77 17.305 6.939 -14.248 577 HE3 LYS 77 HE1 LYS 77 18.615 7.722 -13.352 578 HZ1 LYS 77 HZ1 LYS 77 19.464 6.786 -15.383 579 HZ2 LYS 77 HZ2 LYS 77 18.826 5.266 -15.007 580 HZ3 LYS 77 HZ3 LYS 77 20.085 5.904 -14.079 581 H ASN 78 HN ASN 78 14.359 2.898 -11.918 582 HA ASN 78 HA ASN 78 12.169 2.793 -12.481 583 HB2 ASN 78 HB2 ASN 78 11.877 3.388 -9.512 584 HB3 ASN 78 HB1 ASN 78 10.546 2.851 -10.533 585 HD21 ASN 78 HD21 ASN 78 11.941 0.939 -12.100 586 HD22 ASN 78 HD22 ASN 78 12.381 -0.373 -11.070 587 H THR 79 HN THR 79 12.936 4.918 -13.588 588 HA THR 79 HA THR 79 10.987 7.069 -12.969 589 HB THR 79 HB THR 79 13.864 7.445 -13.935 590 HG1 THR 79 HG1 THR 79 13.061 7.034 -11.518 591 HG21 THR 79 HG21 THR 79 11.732 9.518 -13.279 592 HG22 THR 79 HG22 THR 79 12.374 9.169 -14.888 593 HG23 THR 79 HG23 THR 79 13.419 9.873 -13.652 594 H VAL 80 HN VAL 80 9.739 7.631 -14.648 595 HA VAL 80 HA VAL 80 10.221 6.465 -17.317 596 HB VAL 80 HB VAL 80 7.645 7.605 -16.132 597 HG11 VAL 80 HG11 VAL 80 6.518 6.533 -18.073 598 HG12 VAL 80 HG12 VAL 80 8.092 6.077 -18.726 599 HG13 VAL 80 HG13 VAL 80 7.657 7.784 -18.585 600 HG21 VAL 80 HG21 VAL 80 8.469 4.697 -16.488 601 HG22 VAL 80 HG22 VAL 80 6.885 5.254 -15.939 602 HG23 VAL 80 HG23 VAL 80 8.316 5.552 -14.948 603 H TYR 81 HN TYR 81 10.909 7.804 -18.861 604 HA TYR 81 HA TYR 81 10.772 10.724 -18.496 605 HB2 TYR 81 HB2 TYR 81 12.532 9.063 -20.357 606 HB3 TYR 81 HB1 TYR 81 12.628 10.807 -20.135 607 HD1 TYR 81 HD1 TYR 81 13.522 7.541 -18.718 608 HD2 TYR 81 HD2 TYR 81 13.506 11.756 -17.983 609 HE1 TYR 81 HE1 TYR 81 15.091 7.222 -16.856 610 HE2 TYR 81 HE2 TYR 81 15.085 11.434 -16.127 611 HH TYR 81 HH TYR 81 16.827 8.636 -15.640 612 H LEU 82 HN LEU 82 9.851 12.053 -20.016 613 HA LEU 82 HA LEU 82 8.968 10.922 -22.614 614 HB2 LEU 82 HB2 LEU 82 6.977 11.427 -21.285 615 HB3 LEU 82 HB1 LEU 82 7.588 13.020 -20.893 616 HG LEU 82 HG LEU 82 7.318 13.712 -23.272 617 HD11 LEU 82 HD11 LEU 82 7.598 11.555 -24.387 618 HD12 LEU 82 HD12 LEU 82 6.086 12.324 -24.865 619 HD13 LEU 82 HD13 LEU 82 6.067 10.989 -23.709 620 HD21 LEU 82 HD21 LEU 82 4.860 13.831 -23.283 621 HD22 LEU 82 HD22 LEU 82 5.513 14.160 -21.680 622 HD23 LEU 82 HD23 LEU 82 4.788 12.588 -22.029 623 H GLN 83 HN GLN 83 10.749 11.554 -23.745 624 HA GLN 83 HA GLN 83 11.841 14.236 -23.553 625 HB2 GLN 83 HB2 GLN 83 13.355 12.304 -23.937 626 HB3 GLN 83 HB1 GLN 83 12.541 11.946 -25.452 627 HG2 GLN 83 HG2 GLN 83 14.707 13.095 -25.775 628 HG3 GLN 83 HG1 GLN 83 13.356 14.014 -26.437 629 HE21 GLN 83 HE21 GLN 83 12.837 16.026 -25.528 630 HE22 GLN 83 HE22 GLN 83 13.838 16.815 -24.360 631 H MET 84 HN MET 84 10.388 15.688 -24.267 632 HA MET 84 HA MET 84 8.972 15.424 -26.793 633 HB2 MET 84 HB2 MET 84 9.229 17.775 -24.862 634 HB3 MET 84 HB1 MET 84 8.198 17.753 -26.285 635 HG2 MET 84 HG2 MET 84 6.871 15.929 -25.279 636 HG3 MET 84 HG1 MET 84 7.898 16.000 -23.839 637 HE1 MET 84 HE1 MET 84 5.544 16.358 -22.441 638 HE2 MET 84 HE2 MET 84 4.610 16.426 -23.937 639 HE3 MET 84 HE3 MET 84 4.457 17.712 -22.742 640 H ASN 85 HN ASN 85 9.947 15.884 -28.657 641 HA ASN 85 HA ASN 85 11.886 18.121 -28.833 642 HB2 ASN 85 HB2 ASN 85 11.775 15.535 -30.452 643 HB3 ASN 85 HB1 ASN 85 12.698 16.944 -30.962 644 HD21 ASN 85 HD21 ASN 85 14.696 15.971 -30.851 645 HD22 ASN 85 HD22 ASN 85 15.435 15.471 -29.368 646 H SER 86 HN SER 86 11.534 19.589 -30.521 647 HA SER 86 HA SER 86 10.339 20.901 -31.921 648 HB2 SER 86 HB2 SER 86 10.814 19.060 -33.525 649 HB3 SER 86 HB1 SER 86 9.337 18.235 -33.031 650 HG SER 86 HG SER 86 8.608 19.332 -34.700 651 H LEU 87 HN LEU 87 9.253 21.283 -29.719 652 HA LEU 87 HA LEU 87 6.480 20.501 -29.474 653 HB2 LEU 87 HB2 LEU 87 8.299 22.327 -27.886 654 HB3 LEU 87 HB1 LEU 87 6.567 22.314 -27.579 655 HG LEU 87 HG LEU 87 8.391 19.884 -27.342 656 HD11 LEU 87 HD11 LEU 87 7.141 21.574 -25.150 657 HD12 LEU 87 HD12 LEU 87 8.857 21.489 -25.561 658 HD13 LEU 87 HD13 LEU 87 8.038 20.068 -24.921 659 HD21 LEU 87 HD21 LEU 87 5.443 20.209 -26.671 660 HD22 LEU 87 HD22 LEU 87 6.431 18.784 -26.334 661 HD23 LEU 87 HD23 LEU 87 6.120 19.260 -27.999 662 H LYS 88 HN LYS 88 4.687 21.714 -29.882 663 HA LYS 88 HA LYS 88 4.982 24.096 -31.599 664 HB2 LYS 88 HB2 LYS 88 2.525 22.347 -31.111 665 HB3 LYS 88 HB1 LYS 88 2.720 23.554 -32.378 666 HG2 LYS 88 HG2 LYS 88 4.205 20.912 -32.157 667 HG3 LYS 88 HG1 LYS 88 2.889 21.273 -33.273 668 HD2 LYS 88 HD2 LYS 88 5.507 22.813 -33.303 669 HD3 LYS 88 HD1 LYS 88 5.299 21.309 -34.193 670 HE2 LYS 88 HE2 LYS 88 4.964 23.173 -35.695 671 HE3 LYS 88 HE1 LYS 88 3.426 22.353 -35.464 672 HZ1 LYS 88 HZ1 LYS 88 2.764 24.107 -33.949 673 HZ2 LYS 88 HZ2 LYS 88 3.198 24.748 -35.451 674 HZ3 LYS 88 HZ3 LYS 88 4.255 24.875 -34.138 675 HA PRO 89 HA PRO 89 3.536 26.885 -28.416 676 HB2 PRO 89 HB2 PRO 89 1.597 28.432 -29.672 677 HB3 PRO 89 HB1 PRO 89 3.337 28.644 -29.912 678 HG2 PRO 89 HG2 PRO 89 1.364 27.092 -31.597 679 HG3 PRO 89 HG1 PRO 89 2.608 28.252 -32.119 680 HD2 PRO 89 HD2 PRO 89 3.069 25.629 -32.308 681 HD3 PRO 89 HD1 PRO 89 4.367 26.718 -31.758 682 H GLU 90 HN GLU 90 1.161 24.953 -30.072 683 HA GLU 90 HA GLU 90 -1.142 25.336 -28.474 684 HB2 GLU 90 HB2 GLU 90 -1.956 23.263 -29.555 685 HB3 GLU 90 HB1 GLU 90 -1.227 24.364 -30.725 686 HG2 GLU 90 HG2 GLU 90 0.871 23.029 -30.642 687 HG3 GLU 90 HG1 GLU 90 0.093 21.896 -29.537 688 H ASP 91 HN ASP 91 1.780 23.592 -27.830 689 HA ASP 91 HA ASP 91 0.684 21.785 -25.838 690 HB2 ASP 91 HB2 ASP 91 3.572 22.479 -26.553 691 HB3 ASP 91 HB1 ASP 91 3.099 21.219 -25.421 692 H THR 92 HN THR 92 0.168 24.659 -25.410 693 HA THR 92 HA THR 92 1.355 25.092 -22.776 694 HB THR 92 HB THR 92 -0.853 26.609 -24.252 695 HG1 THR 92 HG1 THR 92 1.247 26.738 -25.213 696 HG21 THR 92 HG21 THR 92 -0.471 28.424 -22.606 697 HG22 THR 92 HG22 THR 92 0.658 27.394 -21.725 698 HG23 THR 92 HG23 THR 92 -1.049 26.955 -21.812 699 H ALA 93 HN ALA 93 0.673 23.319 -21.570 700 HA ALA 93 HA ALA 93 -2.063 22.963 -20.781 701 HB1 ALA 93 HB1 ALA 93 -2.222 22.007 -23.050 702 HB2 ALA 93 HB2 ALA 93 -2.420 20.742 -21.839 703 HB3 ALA 93 HB3 ALA 93 -0.889 20.906 -22.700 704 H VAL 94 HN VAL 94 -2.254 20.713 -19.610 705 HA VAL 94 HA VAL 94 0.196 20.200 -18.056 706 HB VAL 94 HB VAL 94 -1.596 21.014 -16.639 707 HG11 VAL 94 HG11 VAL 94 -3.370 18.760 -17.626 708 HG12 VAL 94 HG12 VAL 94 -3.568 20.473 -17.996 709 HG13 VAL 94 HG13 VAL 94 -3.768 19.903 -16.338 710 HG21 VAL 94 HG21 VAL 94 -1.246 18.032 -16.215 711 HG22 VAL 94 HG22 VAL 94 -1.765 19.194 -14.990 712 HG23 VAL 94 HG23 VAL 94 -0.141 19.298 -15.673 713 H TYR 95 HN TYR 95 1.259 18.486 -18.840 714 HA TYR 95 HA TYR 95 -0.138 16.079 -19.750 715 HB2 TYR 95 HB2 TYR 95 2.765 16.961 -19.760 716 HB3 TYR 95 HB1 TYR 95 2.348 15.273 -19.991 717 HD1 TYR 95 HD1 TYR 95 1.400 18.650 -21.378 718 HD2 TYR 95 HD2 TYR 95 2.093 14.507 -22.202 719 HE1 TYR 95 HE1 TYR 95 1.074 19.068 -23.778 720 HE2 TYR 95 HE2 TYR 95 1.768 14.932 -24.601 721 HH TYR 95 HH TYR 95 1.697 18.059 -25.921 722 H LEU 96 HN LEU 96 -0.349 14.300 -18.474 723 HA LEU 96 HA LEU 96 1.027 14.246 -15.861 724 HB2 LEU 96 HB2 LEU 96 -1.007 13.209 -14.881 725 HB3 LEU 96 HB1 LEU 96 -1.253 14.846 -15.445 726 HG LEU 96 HG LEU 96 -2.235 13.617 -17.616 727 HD11 LEU 96 HD11 LEU 96 -1.726 11.332 -16.938 728 HD12 LEU 96 HD12 LEU 96 -3.464 11.569 -17.091 729 HD13 LEU 96 HD13 LEU 96 -2.722 11.515 -15.489 730 HD21 LEU 96 HD21 LEU 96 -4.501 13.788 -16.679 731 HD22 LEU 96 HD22 LEU 96 -3.514 15.176 -16.227 732 HD23 LEU 96 HD23 LEU 96 -3.830 13.900 -15.048 733 H CYS 97 HN CYS 97 1.917 12.362 -15.254 734 HA CYS 97 HA CYS 97 1.970 10.101 -17.107 735 HB2 CYS 97 HB2 CYS 97 4.107 10.874 -16.110 736 HB3 CYS 97 HB1 CYS 97 3.481 10.559 -14.495 737 HG CYS 97 HG CYS 97 3.533 7.976 -16.688 738 H ALA 98 HN ALA 98 1.353 8.018 -16.448 739 HA ALA 98 HA ALA 98 -0.290 7.753 -14.015 740 HB1 ALA 98 HB1 ALA 98 -1.155 6.923 -16.812 741 HB2 ALA 98 HB2 ALA 98 -1.802 8.281 -15.889 742 HB3 ALA 98 HB3 ALA 98 -2.047 6.632 -15.315 743 H ALA 99 HN ALA 99 -0.659 5.515 -13.451 744 HA ALA 99 HA ALA 99 1.189 3.508 -14.531 745 HB1 ALA 99 HB1 ALA 99 2.048 2.934 -12.288 746 HB2 ALA 99 HB2 ALA 99 1.130 4.267 -11.578 747 HB3 ALA 99 HB3 ALA 99 2.450 4.602 -12.700 748 H GLY 100 HN GLY 100 0.730 1.337 -13.481 749 HA2 GLY 100 HA2 GLY 100 -1.403 0.679 -11.888 750 HA3 GLY 100 HA1 GLY 100 -2.083 0.792 -13.508 751 H VAL 101 HN VAL 101 -2.597 -1.407 -13.406 752 HA VAL 101 HA VAL 101 -0.364 -3.228 -14.071 753 HB VAL 101 HB VAL 101 -1.550 -5.109 -12.905 754 HG11 VAL 101 HG11 VAL 101 0.306 -3.976 -11.747 755 HG12 VAL 101 HG12 VAL 101 -0.910 -4.518 -10.591 756 HG13 VAL 101 HG13 VAL 101 -0.820 -2.813 -11.041 757 HG21 VAL 101 HG21 VAL 101 -3.843 -4.214 -12.894 758 HG22 VAL 101 HG22 VAL 101 -3.367 -2.941 -11.769 759 HG23 VAL 101 HG23 VAL 101 -3.344 -4.630 -11.251 760 H TRP 102 HN TRP 102 -1.444 -5.356 -14.999 761 HA TRP 102 HA TRP 102 -2.730 -4.837 -17.427 762 HB2 TRP 102 HB2 TRP 102 -3.079 -7.325 -17.540 763 HB3 TRP 102 HB1 TRP 102 -1.434 -6.870 -17.118 764 HD1 TRP 102 HD1 TRP 102 -4.513 -8.643 -15.663 765 HE1 TRP 102 HE1 TRP 102 -3.835 -9.829 -13.484 766 HE3 TRP 102 HE3 TRP 102 0.222 -6.770 -15.133 767 HZ2 TRP 102 HZ2 TRP 102 -1.609 -9.961 -11.768 768 HZ3 TRP 102 HZ3 TRP 102 1.561 -7.483 -13.196 769 HH2 TRP 102 HH2 TRP 102 0.664 -9.049 -11.545 770 H ARG 103 HN ARG 103 -4.890 -5.287 -18.153 771 HA ARG 103 HA ARG 103 -6.952 -5.096 -16.018 772 HB2 ARG 103 HB2 ARG 103 -6.414 -3.008 -17.580 773 HB3 ARG 103 HB1 ARG 103 -7.355 -3.883 -18.776 774 HG2 ARG 103 HG2 ARG 103 -8.787 -2.278 -17.660 775 HG3 ARG 103 HG1 ARG 103 -9.294 -3.903 -17.175 776 HD2 ARG 103 HD2 ARG 103 -8.138 -3.679 -15.055 777 HD3 ARG 103 HD1 ARG 103 -7.426 -2.146 -15.556 778 HE ARG 103 HE ARG 103 -10.339 -2.279 -15.398 779 HH11 ARG 103 HH11 ARG 103 -7.353 -1.228 -13.895 780 HH12 ARG 103 HH12 ARG 103 -8.145 -0.160 -12.788 781 HH21 ARG 103 HH21 ARG 103 -11.367 -0.876 -13.933 782 HH22 ARG 103 HH22 ARG 103 -10.415 0.044 -12.812 783 H SER 104 HN SER 104 -8.872 -6.247 -16.316 784 HA SER 104 HA SER 104 -8.899 -8.576 -17.934 785 HB2 SER 104 HB2 SER 104 -11.273 -7.187 -16.602 786 HB3 SER 104 HB1 SER 104 -11.194 -8.877 -17.110 787 HG SER 104 HG SER 104 -9.335 -9.004 -15.606 788 H SER 105 HN SER 105 -9.806 -5.292 -18.581 789 HA SER 105 HA SER 105 -11.482 -5.669 -20.861 790 HB2 SER 105 HB2 SER 105 -9.779 -3.270 -20.064 791 HB3 SER 105 HB1 SER 105 -11.117 -3.248 -21.216 792 HG SER 105 HG SER 105 -12.533 -3.663 -19.566 793 H GLY 106 HN GLY 106 -8.011 -5.668 -20.398 794 HA2 GLY 106 HA2 GLY 106 -6.458 -6.603 -21.887 795 HA3 GLY 106 HA1 GLY 106 -7.586 -6.391 -23.214 796 H TRP 107 HN TRP 107 -7.984 -3.487 -22.343 797 HA TRP 107 HA TRP 107 -5.770 -2.276 -23.762 798 HB2 TRP 107 HB2 TRP 107 -8.197 -1.061 -22.357 799 HB3 TRP 107 HB1 TRP 107 -7.002 -0.109 -23.232 800 HD1 TRP 107 HD1 TRP 107 -6.882 -0.545 -25.971 801 HE1 TRP 107 HE1 TRP 107 -8.740 -1.217 -27.617 802 HE3 TRP 107 HE3 TRP 107 -10.330 -2.349 -22.643 803 HZ2 TRP 107 HZ2 TRP 107 -11.318 -2.348 -27.532 804 HZ3 TRP 107 HZ3 TRP 107 -12.474 -3.206 -23.510 805 HH2 TRP 107 HH2 TRP 107 -12.958 -3.204 -25.908 806 H ASP 108 HN ASP 108 -4.298 -0.736 -22.897 807 HA ASP 108 HA ASP 108 -3.260 -1.177 -20.282 808 HB2 ASP 108 HB2 ASP 108 -1.929 -0.322 -22.295 809 HB3 ASP 108 HB1 ASP 108 -2.727 1.229 -22.089 810 H THR 109 HN THR 109 -3.923 -0.274 -18.379 811 HA THR 109 HA THR 109 -5.912 1.913 -18.481 812 HB THR 109 HB THR 109 -6.035 -0.531 -16.671 813 HG1 THR 109 HG1 THR 109 -6.600 -0.627 -19.066 814 HG21 THR 109 HG21 THR 109 -8.271 0.317 -16.011 815 HG22 THR 109 HG22 THR 109 -8.020 1.763 -16.991 816 HG23 THR 109 HG23 THR 109 -7.007 1.471 -15.576 817 HA PRO 110 HA PRO 110 -3.211 3.657 -15.253 818 HB2 PRO 110 HB2 PRO 110 -4.422 6.074 -15.047 819 HB3 PRO 110 HB1 PRO 110 -3.393 5.656 -16.424 820 HG2 PRO 110 HG2 PRO 110 -6.397 5.654 -16.238 821 HG3 PRO 110 HG1 PRO 110 -5.358 6.253 -17.549 822 HD2 PRO 110 HD2 PRO 110 -6.591 3.788 -17.595 823 HD3 PRO 110 HD1 PRO 110 -5.083 4.145 -18.461 824 H ASP 111 HN ASP 111 -3.726 2.353 -13.503 825 HA ASP 111 HA ASP 111 -6.136 2.656 -11.936 826 HB2 ASP 111 HB2 ASP 111 -3.458 1.370 -11.237 827 HB3 ASP 111 HB1 ASP 111 -4.906 1.285 -10.233 828 H TYR 112 HN TYR 112 -3.025 4.123 -12.101 829 HA TYR 112 HA TYR 112 -3.554 5.905 -9.815 830 HB2 TYR 112 HB2 TYR 112 -0.751 5.006 -10.621 831 HB3 TYR 112 HB1 TYR 112 -1.254 5.777 -9.120 832 HD1 TYR 112 HD1 TYR 112 -0.446 2.672 -10.648 833 HD2 TYR 112 HD2 TYR 112 -2.921 4.374 -7.610 834 HE1 TYR 112 HE1 TYR 112 -0.672 0.462 -9.603 835 HE2 TYR 112 HE2 TYR 112 -3.142 2.166 -6.561 836 HH TYR 112 HH TYR 112 -2.984 -0.229 -7.262 837 H TRP 113 HN TRP 113 -2.769 8.021 -10.096 838 HA TRP 113 HA TRP 113 -1.573 8.786 -12.694 839 HB2 TRP 113 HB2 TRP 113 -3.783 10.302 -11.209 840 HB3 TRP 113 HB1 TRP 113 -2.930 10.901 -12.628 841 HD1 TRP 113 HD1 TRP 113 -3.673 9.926 -15.011 842 HE1 TRP 113 HE1 TRP 113 -5.705 8.563 -15.779 843 HE3 TRP 113 HE3 TRP 113 -5.424 8.397 -10.444 844 HZ2 TRP 113 HZ2 TRP 113 -7.772 7.040 -14.634 845 HZ3 TRP 113 HZ3 TRP 113 -7.440 6.981 -10.372 846 HH2 TRP 113 HH2 TRP 113 -8.592 6.317 -12.428 847 H GLY 114 HN GLY 114 -0.324 10.801 -12.528 848 HA2 GLY 114 HA2 GLY 114 1.274 10.794 -10.104 849 HA3 GLY 114 HA1 GLY 114 1.598 11.663 -11.596 850 H GLN 115 HN GLN 115 1.603 13.762 -11.331 851 HA GLN 115 HA GLN 115 -0.344 15.079 -9.523 852 HB2 GLN 115 HB2 GLN 115 1.458 16.675 -8.859 853 HB3 GLN 115 HB1 GLN 115 1.781 15.022 -8.348 854 HG2 GLN 115 HG2 GLN 115 3.328 14.770 -10.310 855 HG3 GLN 115 HG1 GLN 115 3.064 16.471 -10.691 856 HE21 GLN 115 HE21 GLN 115 3.956 18.058 -9.301 857 HE22 GLN 115 HE22 GLN 115 5.219 17.680 -8.189 858 H GLY 116 HN GLY 116 1.103 14.911 -12.590 859 HA2 GLY 116 HA2 GLY 116 0.552 15.947 -14.546 860 HA3 GLY 116 HA1 GLY 116 -0.572 16.976 -13.671 861 H THR 117 HN THR 117 2.343 16.890 -15.326 862 HA THR 117 HA THR 117 3.521 19.233 -14.011 863 HB THR 117 HB THR 117 5.060 17.396 -14.477 864 HG1 THR 117 HG1 THR 117 5.786 19.620 -14.730 865 HG21 THR 117 HG21 THR 117 3.944 16.358 -16.421 866 HG22 THR 117 HG22 THR 117 5.643 16.684 -16.771 867 HG23 THR 117 HG23 THR 117 4.391 17.740 -17.425 868 H GLN 118 HN GLN 118 3.378 21.231 -14.792 869 HA GLN 118 HA GLN 118 1.751 21.880 -17.090 870 HB2 GLN 118 HB2 GLN 118 3.019 23.434 -14.829 871 HB3 GLN 118 HB1 GLN 118 2.522 24.323 -16.262 872 HG2 GLN 118 HG2 GLN 118 0.605 22.511 -14.767 873 HG3 GLN 118 HG1 GLN 118 0.867 24.195 -14.307 874 HE21 GLN 118 HE21 GLN 118 -0.224 22.120 -16.931 875 HE22 GLN 118 HE22 GLN 118 -1.219 23.298 -17.701 876 H VAL 119 HN VAL 119 2.680 21.646 -19.033 877 HA VAL 119 HA VAL 119 5.332 22.849 -19.568 878 HB VAL 119 HB VAL 119 5.251 21.717 -21.764 879 HG11 VAL 119 HG11 VAL 119 4.679 19.780 -19.486 880 HG12 VAL 119 HG12 VAL 119 6.249 20.485 -19.884 881 HG13 VAL 119 HG13 VAL 119 5.473 19.373 -21.013 882 HG21 VAL 119 HG21 VAL 119 3.465 20.092 -22.351 883 HG22 VAL 119 HG22 VAL 119 2.819 21.725 -22.185 884 HG23 VAL 119 HG23 VAL 119 2.573 20.547 -20.893 885 H THR 120 HN THR 120 5.470 24.726 -20.740 886 HA THR 120 HA THR 120 3.109 25.693 -22.243 887 HB THR 120 HB THR 120 4.888 27.488 -20.510 888 HG1 THR 120 HG1 THR 120 3.362 26.068 -19.369 889 HG21 THR 120 HG21 THR 120 3.952 28.665 -22.486 890 HG22 THR 120 HG22 THR 120 3.217 29.250 -20.993 891 HG23 THR 120 HG23 THR 120 2.329 28.136 -22.031 892 H VAL 121 HN VAL 121 3.683 26.212 -24.300 893 HA VAL 121 HA VAL 121 6.573 26.553 -24.905 894 HB VAL 121 HB VAL 121 4.383 25.554 -26.772 895 HG11 VAL 121 HG11 VAL 121 6.242 24.926 -28.281 896 HG12 VAL 121 HG12 VAL 121 7.401 25.649 -27.161 897 HG13 VAL 121 HG13 VAL 121 6.217 26.668 -27.984 898 HG21 VAL 121 HG21 VAL 121 4.802 23.922 -24.981 899 HG22 VAL 121 HG22 VAL 121 6.533 23.958 -25.331 900 HG23 VAL 121 HG23 VAL 121 5.404 23.321 -26.530 901 H SER 122 HN SER 122 6.912 28.736 -24.930 902 HA SER 122 HA SER 122 5.290 30.712 -26.101 903 HB2 SER 122 HB2 SER 122 8.282 30.489 -25.662 904 HB3 SER 122 HB1 SER 122 7.570 31.909 -26.421 905 HG SER 122 HG SER 122 7.199 32.560 -24.484 906 H SER 123 HN SER 123 5.125 31.585 -28.155 907 HA SER 123 HA SER 123 5.512 29.794 -30.366 908 HB2 SER 123 HB2 SER 123 4.547 32.692 -30.391 909 HB3 SER 123 HB1 SER 123 4.317 31.496 -31.673 910 HG SER 123 HG SER 123 2.670 30.745 -30.617 911 H LEU 124 HN LEU 124 7.741 29.525 -30.631 912 HA LEU 124 HA LEU 124 9.804 29.818 -31.505 913 HB2 LEU 124 HB2 LEU 124 8.359 32.020 -33.020 914 HB3 LEU 124 HB1 LEU 124 10.062 31.716 -33.275 915 HG LEU 124 HG LEU 124 8.882 30.671 -35.062 916 HD11 LEU 124 HD11 LEU 124 9.546 28.344 -34.881 917 HD12 LEU 124 HD12 LEU 124 9.711 28.504 -33.131 918 HD13 LEU 124 HD13 LEU 124 10.778 29.410 -34.209 919 HD21 LEU 124 HD21 LEU 124 6.653 30.550 -34.099 920 HD22 LEU 124 HD22 LEU 124 7.157 29.244 -33.026 921 HD23 LEU 124 HD23 LEU 124 7.118 28.988 -34.773 922 H GLU 125 HN GLU 125 8.962 31.490 -29.033 923 HA GLU 125 HA GLU 125 10.605 33.877 -29.224 924 HB2 GLU 125 HB2 GLU 125 9.074 32.747 -26.854 925 HB3 GLU 125 HB1 GLU 125 9.879 34.310 -26.888 926 HG2 GLU 125 HG2 GLU 125 8.341 35.074 -28.652 927 HG3 GLU 125 HG1 GLU 125 7.544 33.500 -28.653 928 H HIS 126 HN HIS 126 10.649 31.772 -26.338 929 HA HIS 126 HA HIS 126 13.547 31.360 -26.536 930 HB2 HIS 126 HB2 HIS 126 12.276 33.048 -24.317 931 HB3 HIS 126 HB1 HIS 126 13.935 32.459 -24.305 932 HD1 HIS 126 HD1 HIS 126 11.877 35.260 -25.412 933 HD2 HIS 126 HD2 HIS 126 15.593 33.673 -26.385 934 HE1 HIS 126 HE1 HIS 126 13.065 37.072 -26.696 935 HE2 HIS 126 HE2 HIS 126 15.272 36.051 -27.359 936 H HIS 127 HN HIS 127 14.298 29.726 -25.213 937 HA HIS 127 HA HIS 127 12.470 28.431 -23.294 938 HB2 HIS 127 HB2 HIS 127 14.125 26.653 -23.099 939 HB3 HIS 127 HB1 HIS 127 13.859 26.947 -24.811 940 HD1 HIS 127 HD1 HIS 127 15.845 28.047 -26.139 941 HD2 HIS 127 HD2 HIS 127 16.740 27.130 -22.192 942 HE1 HIS 127 HE1 HIS 127 18.334 28.156 -25.984 943 HE2 HIS 127 HE2 HIS 127 18.838 27.779 -23.551 944 H HIS 128 HN HIS 128 13.149 28.272 -21.037 945 HA HIS 128 HA HIS 128 14.364 30.686 -20.021 946 HB2 HIS 128 HB2 HIS 128 12.492 29.403 -18.855 947 HB3 HIS 128 HB1 HIS 128 13.662 28.153 -18.444 948 HD1 HIS 128 HD1 HIS 128 15.681 29.004 -16.817 949 HD2 HIS 128 HD2 HIS 128 12.372 31.495 -17.093 950 HE1 HIS 128 HE1 HIS 128 15.833 30.537 -14.836 951 HE2 HIS 128 HE2 HIS 128 13.750 31.949 -14.958 952 H HIS 129 HN HIS 129 16.496 31.015 -19.556 953 HA HIS 129 HA HIS 129 18.493 29.064 -20.103 954 HB2 HIS 129 HB2 HIS 129 20.116 30.773 -19.187 955 HB3 HIS 129 HB1 HIS 129 19.072 31.364 -20.467 956 HD1 HIS 129 HD1 HIS 129 19.413 31.580 -16.687 957 HD2 HIS 129 HD2 HIS 129 17.737 33.678 -19.855 958 HE1 HIS 129 HE1 HIS 129 18.621 33.745 -15.706 959 HE2 HIS 129 HE2 HIS 129 17.801 35.070 -17.683 960 H HIS 130 HN HIS 130 18.589 27.303 -18.923 961 HA HIS 130 HA HIS 130 18.821 25.800 -17.261 962 HB2 HIS 130 HB2 HIS 130 20.005 28.170 -15.755 963 HB3 HIS 130 HB1 HIS 130 20.121 26.496 -15.224 964 HD1 HIS 130 HD1 HIS 130 21.903 28.957 -17.170 965 HD2 HIS 130 HD2 HIS 130 21.584 24.824 -17.192 966 HE1 HIS 130 HE1 HIS 130 23.869 28.153 -18.500 967 HE2 HIS 130 HE2 HIS 130 23.586 25.655 -18.611 968 H HIS 131 HN HIS 131 18.513 26.029 -14.407 969 HA HIS 131 HA HIS 131 15.657 26.166 -14.136 970 HB2 HIS 131 HB2 HIS 131 16.069 25.586 -11.747 971 HB3 HIS 131 HB1 HIS 131 16.897 24.501 -12.851 972 HD1 HIS 131 HD1 HIS 131 19.503 24.638 -12.928 973 HD2 HIS 131 HD2 HIS 131 17.737 27.028 -10.023 974 HE1 HIS 131 HE1 HIS 131 21.364 25.312 -11.388 975 HE2 HIS 131 HE2 HIS 131 20.240 26.594 -9.542 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 1.085 7.388 -0.861 2 H2 MET 1 HT2 MET 1 2.106 6.042 -0.901 3 H3 MET 1 HT3 MET 1 1.467 6.576 0.574 4 HA MET 1 HA MET 1 0.329 4.610 -0.192 5 HB2 MET 1 HB2 MET 1 -0.917 6.270 1.146 6 HB3 MET 1 HB1 MET 1 -1.323 7.173 -0.302 7 HG2 MET 1 HG2 MET 1 -2.769 5.411 -1.074 8 HG3 MET 1 HG1 MET 1 -2.252 4.344 0.230 9 HE1 MET 1 HE1 MET 1 -2.900 4.713 2.797 10 HE2 MET 1 HE2 MET 1 -3.838 6.088 3.378 11 HE3 MET 1 HE3 MET 1 -2.204 6.333 2.759 12 H GLN 2 HN GLN 2 -0.119 3.388 -1.912 13 HA GLN 2 HA GLN 2 -0.564 2.617 -3.981 14 HB2 GLN 2 HB2 GLN 2 -1.990 5.288 -4.302 15 HB3 GLN 2 HB1 GLN 2 -2.124 3.951 -5.438 16 HG2 GLN 2 HG2 GLN 2 -3.003 3.922 -2.536 17 HG3 GLN 2 HG1 GLN 2 -4.061 4.057 -3.941 18 HE21 GLN 2 HE21 GLN 2 -4.034 2.029 -1.816 19 HE22 GLN 2 HE22 GLN 2 -3.839 0.510 -2.614 20 H LEU 3 HN LEU 3 -0.595 3.811 -6.568 21 HA LEU 3 HA LEU 3 2.186 4.343 -7.005 22 HB2 LEU 3 HB2 LEU 3 -0.227 4.251 -8.813 23 HB3 LEU 3 HB1 LEU 3 1.236 5.009 -9.406 24 HG LEU 3 HG LEU 3 1.197 2.748 -10.202 25 HD11 LEU 3 HD11 LEU 3 3.325 1.910 -9.353 26 HD12 LEU 3 HD12 LEU 3 3.216 2.982 -7.951 27 HD13 LEU 3 HD13 LEU 3 3.376 3.661 -9.573 28 HD21 LEU 3 HD21 LEU 3 -0.348 1.778 -8.563 29 HD22 LEU 3 HD22 LEU 3 0.910 1.816 -7.327 30 HD23 LEU 3 HD23 LEU 3 1.094 0.783 -8.748 31 H GLN 4 HN GLN 4 3.009 6.139 -6.307 32 HA GLN 4 HA GLN 4 1.804 8.749 -6.874 33 HB2 GLN 4 HB2 GLN 4 4.384 8.242 -5.339 34 HB3 GLN 4 HB1 GLN 4 3.329 9.654 -5.257 35 HG2 GLN 4 HG2 GLN 4 1.649 8.331 -4.044 36 HG3 GLN 4 HG1 GLN 4 2.646 6.887 -4.199 37 HE21 GLN 4 HE21 GLN 4 3.805 10.146 -3.394 38 HE22 GLN 4 HE22 GLN 4 4.328 9.753 -1.796 39 H LEU 5 HN LEU 5 2.721 9.983 -8.546 40 HA LEU 5 HA LEU 5 5.232 8.972 -9.763 41 HB2 LEU 5 HB2 LEU 5 2.883 10.189 -11.264 42 HB3 LEU 5 HB1 LEU 5 4.379 9.624 -11.975 43 HG LEU 5 HG LEU 5 2.322 7.844 -10.592 44 HD11 LEU 5 HD11 LEU 5 2.885 8.150 -13.554 45 HD12 LEU 5 HD12 LEU 5 1.455 8.725 -12.696 46 HD13 LEU 5 HD13 LEU 5 1.768 6.997 -12.816 47 HD21 LEU 5 HD21 LEU 5 4.832 7.051 -12.122 48 HD22 LEU 5 HD22 LEU 5 3.619 5.944 -11.468 49 HD23 LEU 5 HD23 LEU 5 4.591 6.926 -10.377 50 H VAL 6 HN VAL 6 6.814 10.407 -9.669 51 HA VAL 6 HA VAL 6 6.250 13.191 -8.872 52 HB VAL 6 HB VAL 6 8.928 11.688 -8.946 53 HG11 VAL 6 HG11 VAL 6 9.232 14.120 -9.038 54 HG12 VAL 6 HG12 VAL 6 9.759 13.508 -7.470 55 HG13 VAL 6 HG13 VAL 6 8.204 14.332 -7.618 56 HG21 VAL 6 HG21 VAL 6 7.418 10.592 -7.343 57 HG22 VAL 6 HG22 VAL 6 7.098 12.136 -6.552 58 HG23 VAL 6 HG23 VAL 6 8.716 11.432 -6.488 59 H GLU 7 HN GLU 7 5.848 14.316 -10.677 60 HA GLU 7 HA GLU 7 7.234 13.736 -13.195 61 HB2 GLU 7 HB2 GLU 7 4.757 15.415 -12.587 62 HB3 GLU 7 HB1 GLU 7 5.421 15.135 -14.198 63 HG2 GLU 7 HG2 GLU 7 4.996 12.711 -13.952 64 HG3 GLU 7 HG1 GLU 7 4.335 12.993 -12.338 65 H SER 8 HN SER 8 8.748 15.027 -13.973 66 HA SER 8 HA SER 8 9.277 17.686 -12.806 67 HB2 SER 8 HB2 SER 8 11.336 15.472 -13.260 68 HB3 SER 8 HB1 SER 8 11.665 17.083 -12.608 69 HG SER 8 HG SER 8 10.326 14.903 -11.426 70 H GLY 9 HN GLY 9 10.512 19.063 -14.169 71 HA2 GLY 9 HA2 GLY 9 11.645 19.642 -16.181 72 HA3 GLY 9 HA1 GLY 9 10.881 18.293 -17.007 73 H GLY 10 HN GLY 10 8.726 20.020 -15.010 74 HA2 GLY 10 HA2 GLY 10 7.193 21.089 -17.199 75 HA3 GLY 10 HA1 GLY 10 6.854 21.263 -15.488 76 H GLY 11 HN GLY 11 8.967 22.434 -18.052 77 HA2 GLY 11 HA2 GLY 11 9.201 25.086 -16.714 78 HA3 GLY 11 HA1 GLY 11 10.462 24.367 -17.707 79 H LEU 12 HN LEU 12 10.272 26.476 -18.805 80 HA LEU 12 HA LEU 12 8.148 26.444 -20.836 81 HB2 LEU 12 HB2 LEU 12 8.169 28.390 -19.173 82 HB3 LEU 12 HB1 LEU 12 9.651 28.904 -19.943 83 HG LEU 12 HG LEU 12 7.097 28.565 -21.536 84 HD11 LEU 12 HD11 LEU 12 7.959 31.109 -20.128 85 HD12 LEU 12 HD12 LEU 12 6.545 30.123 -19.740 86 HD13 LEU 12 HD13 LEU 12 6.631 30.963 -21.287 87 HD21 LEU 12 HD21 LEU 12 9.595 30.181 -22.062 88 HD22 LEU 12 HD22 LEU 12 8.135 30.234 -23.039 89 HD23 LEU 12 HD23 LEU 12 9.048 28.741 -22.917 90 H VAL 13 HN VAL 13 8.808 26.026 -22.814 91 HA VAL 13 HA VAL 13 11.458 26.954 -23.729 92 HB VAL 13 HB VAL 13 11.546 25.115 -25.372 93 HG11 VAL 13 HG11 VAL 13 11.142 24.044 -22.556 94 HG12 VAL 13 HG12 VAL 13 12.637 24.714 -23.212 95 HG13 VAL 13 HG13 VAL 13 11.989 23.206 -23.862 96 HG21 VAL 13 HG21 VAL 13 8.980 24.062 -24.114 97 HG22 VAL 13 HG22 VAL 13 9.943 23.220 -25.330 98 HG23 VAL 13 HG23 VAL 13 9.140 24.736 -25.740 99 H GLN 14 HN GLN 14 11.472 27.558 -26.008 100 HA GLN 14 HA GLN 14 9.111 28.989 -26.840 101 HB2 GLN 14 HB2 GLN 14 10.466 29.922 -28.632 102 HB3 GLN 14 HB1 GLN 14 11.378 29.995 -27.134 103 HG2 GLN 14 HG2 GLN 14 11.787 27.899 -29.283 104 HG3 GLN 14 HG1 GLN 14 12.713 29.391 -29.165 105 HE21 GLN 14 HE21 GLN 14 13.617 26.623 -29.060 106 HE22 GLN 14 HE22 GLN 14 14.460 26.450 -27.564 107 H ALA 15 HN ALA 15 8.083 28.751 -28.905 108 HA ALA 15 HA ALA 15 7.401 26.189 -29.802 109 HB1 ALA 15 HB1 ALA 15 6.004 28.171 -30.229 110 HB2 ALA 15 HB2 ALA 15 6.366 27.334 -31.738 111 HB3 ALA 15 HB3 ALA 15 7.229 28.819 -31.328 112 H GLY 16 HN GLY 16 8.642 24.751 -30.773 113 HA2 GLY 16 HA2 GLY 16 9.875 24.040 -32.752 114 HA3 GLY 16 HA1 GLY 16 10.802 25.534 -32.655 115 H GLY 17 HN GLY 17 10.841 25.234 -29.639 116 HA2 GLY 17 HA2 GLY 17 13.373 23.901 -29.443 117 HA3 GLY 17 HA1 GLY 17 12.470 24.637 -28.130 118 H SER 18 HN SER 18 13.875 22.315 -27.778 119 HA SER 18 HA SER 18 11.879 20.138 -27.615 120 HB2 SER 18 HB2 SER 18 13.896 18.681 -27.185 121 HB3 SER 18 HB1 SER 18 13.933 19.486 -28.751 122 HG SER 18 HG SER 18 15.185 20.760 -26.589 123 H LEU 19 HN LEU 19 11.722 18.942 -25.640 124 HA LEU 19 HA LEU 19 12.788 19.996 -23.152 125 HB2 LEU 19 HB2 LEU 19 10.758 21.400 -23.540 126 HB3 LEU 19 HB1 LEU 19 9.787 19.949 -23.700 127 HG LEU 19 HG LEU 19 10.271 19.398 -21.294 128 HD11 LEU 19 HD11 LEU 19 11.226 21.094 -19.812 129 HD12 LEU 19 HD12 LEU 19 11.573 22.133 -21.196 130 HD13 LEU 19 HD13 LEU 19 12.394 20.578 -21.029 131 HD21 LEU 19 HD21 LEU 19 8.969 22.110 -21.734 132 HD22 LEU 19 HD22 LEU 19 8.745 21.063 -20.329 133 HD23 LEU 19 HD23 LEU 19 8.184 20.538 -21.914 134 H ARG 20 HN ARG 20 12.994 18.356 -21.678 135 HA ARG 20 HA ARG 20 11.763 15.734 -22.296 136 HB2 ARG 20 HB2 ARG 20 14.237 15.720 -22.565 137 HB3 ARG 20 HB1 ARG 20 14.421 16.269 -20.901 138 HG2 ARG 20 HG2 ARG 20 13.357 14.155 -20.108 139 HG3 ARG 20 HG1 ARG 20 13.231 13.611 -21.784 140 HD2 ARG 20 HD2 ARG 20 15.800 14.193 -20.266 141 HD3 ARG 20 HD1 ARG 20 15.178 12.593 -20.692 142 HE ARG 20 HE ARG 20 15.362 13.749 -23.097 143 HH11 ARG 20 HH11 ARG 20 17.746 13.597 -20.510 144 HH12 ARG 20 HH12 ARG 20 19.093 13.643 -21.602 145 HH21 ARG 20 HH21 ARG 20 17.116 13.860 -24.499 146 HH22 ARG 20 HH22 ARG 20 18.735 13.799 -23.875 147 H LEU 21 HN LEU 21 10.532 14.858 -20.798 148 HA LEU 21 HA LEU 21 10.318 16.011 -18.104 149 HB2 LEU 21 HB2 LEU 21 8.451 14.144 -19.633 150 HB3 LEU 21 HB1 LEU 21 8.179 14.691 -17.990 151 HG LEU 21 HG LEU 21 6.742 15.980 -19.389 152 HD11 LEU 21 HD11 LEU 21 7.457 18.270 -19.013 153 HD12 LEU 21 HD12 LEU 21 9.106 17.730 -18.706 154 HD13 LEU 21 HD13 LEU 21 7.801 17.256 -17.614 155 HD21 LEU 21 HD21 LEU 21 9.102 16.710 -21.147 156 HD22 LEU 21 HD22 LEU 21 7.441 17.288 -21.327 157 HD23 LEU 21 HD23 LEU 21 7.809 15.581 -21.559 158 H SER 22 HN SER 22 10.159 14.513 -16.307 159 HA SER 22 HA SER 22 11.244 11.806 -16.642 160 HB2 SER 22 HB2 SER 22 13.216 13.314 -16.289 161 HB3 SER 22 HB1 SER 22 12.499 13.889 -14.785 162 HG SER 22 HG SER 22 13.062 12.081 -13.818 163 H CYS 23 HN CYS 23 10.191 10.441 -15.317 164 HA CYS 23 HA CYS 23 8.563 11.510 -13.088 165 HB2 CYS 23 HB2 CYS 23 7.083 11.149 -15.006 166 HB3 CYS 23 HB1 CYS 23 7.697 9.510 -15.213 167 HG CYS 23 HG CYS 23 5.266 10.607 -13.267 168 H VAL 24 HN VAL 24 9.624 10.687 -11.342 169 HA VAL 24 HA VAL 24 10.653 7.952 -11.310 170 HB VAL 24 HB VAL 24 10.504 9.946 -9.006 171 HG11 VAL 24 HG11 VAL 24 10.810 7.619 -8.249 172 HG12 VAL 24 HG12 VAL 24 12.274 8.558 -7.962 173 HG13 VAL 24 HG13 VAL 24 12.202 7.437 -9.323 174 HG21 VAL 24 HG21 VAL 24 11.828 10.916 -10.856 175 HG22 VAL 24 HG22 VAL 24 12.833 9.466 -10.916 176 HG23 VAL 24 HG23 VAL 24 12.871 10.507 -9.491 177 H ALA 25 HN ALA 25 9.563 6.221 -10.441 178 HA ALA 25 HA ALA 25 6.748 6.632 -9.795 179 HB1 ALA 25 HB1 ALA 25 6.552 4.190 -10.074 180 HB2 ALA 25 HB2 ALA 25 8.307 4.055 -10.221 181 HB3 ALA 25 HB3 ALA 25 7.384 4.915 -11.455 182 H SER 26 HN SER 26 6.717 7.431 -7.741 183 HA SER 26 HA SER 26 6.378 7.384 -5.506 184 HB2 SER 26 HB2 SER 26 6.448 4.360 -5.738 185 HB3 SER 26 HB1 SER 26 5.573 5.324 -4.556 186 HG SER 26 HG SER 26 5.021 5.662 -7.290 187 H GLY 27 HN GLY 27 9.148 7.482 -6.368 188 HA2 GLY 27 HA2 GLY 27 11.230 7.543 -5.365 189 HA3 GLY 27 HA1 GLY 27 10.542 6.790 -3.930 190 H ARG 28 HN ARG 28 10.665 5.744 -7.323 191 HA ARG 28 HA ARG 28 11.781 4.163 -8.477 192 HB2 ARG 28 HB2 ARG 28 13.555 3.968 -6.010 193 HB3 ARG 28 HB1 ARG 28 13.914 3.204 -7.560 194 HG2 ARG 28 HG2 ARG 28 13.994 5.436 -8.626 195 HG3 ARG 28 HG1 ARG 28 13.651 6.193 -7.072 196 HD2 ARG 28 HD2 ARG 28 15.767 5.483 -6.176 197 HD3 ARG 28 HD1 ARG 28 16.091 4.457 -7.582 198 HE ARG 28 HE ARG 28 15.830 6.841 -8.742 199 HH11 ARG 28 HH11 ARG 28 17.691 5.984 -5.890 200 HH12 ARG 28 HH12 ARG 28 18.917 7.170 -6.195 201 HH21 ARG 28 HH21 ARG 28 17.405 8.373 -9.124 202 HH22 ARG 28 HH22 ARG 28 18.755 8.528 -8.045 203 H THR 29 HN THR 29 9.509 3.478 -6.625 204 HA THR 29 HA THR 29 9.940 0.648 -6.048 205 HB THR 29 HB THR 29 7.697 0.640 -5.106 206 HG1 THR 29 HG1 THR 29 6.266 1.903 -5.996 207 HG21 THR 29 HG21 THR 29 9.068 3.239 -4.334 208 HG22 THR 29 HG22 THR 29 9.421 1.652 -3.646 209 HG23 THR 29 HG23 THR 29 7.842 2.399 -3.383 210 H PHE 30 HN PHE 30 8.700 -1.025 -7.028 211 HA PHE 30 HA PHE 30 7.652 -0.464 -9.738 212 HB2 PHE 30 HB2 PHE 30 9.644 -1.966 -9.671 213 HB3 PHE 30 HB1 PHE 30 8.774 -3.081 -8.626 214 HD1 PHE 30 HD1 PHE 30 6.948 -4.507 -9.550 215 HD2 PHE 30 HD2 PHE 30 9.140 -1.834 -12.073 216 HE1 PHE 30 HE1 PHE 30 6.070 -5.659 -11.542 217 HE2 PHE 30 HE2 PHE 30 8.259 -2.992 -14.056 218 HZ PHE 30 HZ PHE 30 6.724 -4.902 -13.795 219 H ARG 31 HN ARG 31 5.522 -0.543 -9.863 220 HA ARG 31 HA ARG 31 4.048 -2.876 -8.865 221 HB2 ARG 31 HB2 ARG 31 3.180 0.011 -8.391 222 HB3 ARG 31 HB1 ARG 31 2.033 -1.323 -8.400 223 HG2 ARG 31 HG2 ARG 31 3.252 -2.340 -6.475 224 HG3 ARG 31 HG1 ARG 31 4.311 -0.925 -6.434 225 HD2 ARG 31 HD2 ARG 31 2.421 0.532 -5.952 226 HD3 ARG 31 HD1 ARG 31 1.286 -0.810 -6.145 227 HE ARG 31 HE ARG 31 3.241 -1.301 -4.108 228 HH11 ARG 31 HH11 ARG 31 0.166 0.284 -4.701 229 HH12 ARG 31 HH12 ARG 31 -0.314 0.231 -3.037 230 HH21 ARG 31 HH21 ARG 31 2.606 -1.359 -1.945 231 HH22 ARG 31 HH22 ARG 31 1.091 -0.671 -1.476 232 H SER 32 HN SER 32 3.977 0.135 -10.729 233 HA SER 32 HA SER 32 1.839 -0.667 -12.442 234 HB2 SER 32 HB2 SER 32 2.488 1.497 -13.653 235 HB3 SER 32 HB1 SER 32 2.014 1.659 -11.964 236 HG SER 32 HG SER 32 4.480 2.064 -13.167 237 H ASN 33 HN ASN 33 2.273 -2.435 -13.662 238 HA ASN 33 HA ASN 33 4.487 -2.473 -15.581 239 HB2 ASN 33 HB2 ASN 33 3.400 -4.628 -16.359 240 HB3 ASN 33 HB1 ASN 33 3.904 -4.631 -14.674 241 HD21 ASN 33 HD21 ASN 33 2.473 -6.345 -14.256 242 HD22 ASN 33 HD22 ASN 33 0.768 -6.103 -14.107 243 H ALA 34 HN ALA 34 1.347 -1.248 -15.310 244 HA ALA 34 HA ALA 34 1.095 -0.685 -18.208 245 HB1 ALA 34 HB1 ALA 34 -1.321 -0.373 -17.756 246 HB2 ALA 34 HB2 ALA 34 -1.061 -0.753 -16.051 247 HB3 ALA 34 HB3 ALA 34 -0.795 -1.990 -17.279 248 H MET 35 HN MET 35 1.553 1.366 -18.705 249 HA MET 35 HA MET 35 0.903 3.624 -16.982 250 HB2 MET 35 HB2 MET 35 3.773 2.864 -17.670 251 HB3 MET 35 HB1 MET 35 3.344 4.551 -17.433 252 HG2 MET 35 HG2 MET 35 2.636 4.085 -15.147 253 HG3 MET 35 HG1 MET 35 2.965 2.370 -15.366 254 HE1 MET 35 HE1 MET 35 5.401 1.301 -15.294 255 HE2 MET 35 HE2 MET 35 6.868 2.255 -15.520 256 HE3 MET 35 HE3 MET 35 5.681 2.145 -16.817 257 H GLY 36 HN GLY 36 1.310 5.720 -18.163 258 HA2 GLY 36 HA2 GLY 36 1.998 5.791 -20.907 259 HA3 GLY 36 HA1 GLY 36 0.243 5.759 -20.753 260 H TRP 37 HN TRP 37 2.064 7.900 -21.751 261 HA TRP 37 HA TRP 37 1.630 10.083 -19.833 262 HB2 TRP 37 HB2 TRP 37 2.992 10.022 -22.564 263 HB3 TRP 37 HB1 TRP 37 2.711 11.515 -21.675 264 HD1 TRP 37 HD1 TRP 37 5.007 8.498 -21.777 265 HE1 TRP 37 HE1 TRP 37 6.933 8.852 -20.127 266 HE3 TRP 37 HE3 TRP 37 3.261 12.655 -19.344 267 HZ2 TRP 37 HZ2 TRP 37 7.634 10.608 -18.048 268 HZ3 TRP 37 HZ3 TRP 37 4.626 13.617 -17.525 269 HH2 TRP 37 HH2 TRP 37 6.772 12.613 -16.890 270 H PHE 38 HN PHE 38 0.082 11.547 -20.005 271 HA PHE 38 HA PHE 38 -1.723 11.611 -22.350 272 HB2 PHE 38 HB2 PHE 38 -2.429 11.905 -19.380 273 HB3 PHE 38 HB1 PHE 38 -3.545 12.255 -20.696 274 HD1 PHE 38 HD1 PHE 38 -1.516 9.477 -19.201 275 HD2 PHE 38 HD2 PHE 38 -4.909 10.527 -21.579 276 HE1 PHE 38 HE1 PHE 38 -2.239 7.127 -19.219 277 HE2 PHE 38 HE2 PHE 38 -5.620 8.174 -21.591 278 HZ PHE 38 HZ PHE 38 -4.286 6.471 -20.418 279 H ARG 39 HN ARG 39 -2.775 13.752 -22.589 280 HA ARG 39 HA ARG 39 -1.327 16.031 -21.368 281 HB2 ARG 39 HB2 ARG 39 -1.427 17.270 -23.457 282 HB3 ARG 39 HB1 ARG 39 -0.607 15.744 -23.741 283 HG2 ARG 39 HG2 ARG 39 -2.616 14.831 -24.818 284 HG3 ARG 39 HG1 ARG 39 -3.497 16.323 -24.472 285 HD2 ARG 39 HD2 ARG 39 -1.868 17.573 -25.881 286 HD3 ARG 39 HD1 ARG 39 -1.069 16.047 -26.276 287 HE ARG 39 HE ARG 39 -3.421 15.415 -27.162 288 HH11 ARG 39 HH11 ARG 39 -2.049 18.662 -27.380 289 HH12 ARG 39 HH12 ARG 39 -2.898 19.030 -28.848 290 HH21 ARG 39 HH21 ARG 39 -4.521 15.940 -29.074 291 HH22 ARG 39 HH22 ARG 39 -4.293 17.503 -29.798 292 H GLN 40 HN GLN 40 -2.623 17.858 -20.978 293 HA GLN 40 HA GLN 40 -5.494 17.781 -21.414 294 HB2 GLN 40 HB2 GLN 40 -5.133 16.319 -19.404 295 HB3 GLN 40 HB1 GLN 40 -4.322 17.651 -18.591 296 HG2 GLN 40 HG2 GLN 40 -6.431 18.944 -18.637 297 HG3 GLN 40 HG1 GLN 40 -7.236 17.598 -19.443 298 HE21 GLN 40 HE21 GLN 40 -7.661 15.700 -18.248 299 HE22 GLN 40 HE22 GLN 40 -7.620 15.670 -16.522 300 H ALA 41 HN ALA 41 -6.357 19.828 -21.272 301 HA ALA 41 HA ALA 41 -4.611 22.063 -20.402 302 HB1 ALA 41 HB1 ALA 41 -6.999 22.081 -22.297 303 HB2 ALA 41 HB2 ALA 41 -5.304 22.208 -22.765 304 HB3 ALA 41 HB3 ALA 41 -6.054 23.496 -21.822 305 HA PRO 42 HA PRO 42 -7.266 22.740 -16.824 306 HB2 PRO 42 HB2 PRO 42 -7.326 25.666 -17.574 307 HB3 PRO 42 HB1 PRO 42 -6.883 24.908 -16.033 308 HG2 PRO 42 HG2 PRO 42 -4.977 25.848 -17.636 309 HG3 PRO 42 HG1 PRO 42 -4.748 24.298 -16.799 310 HD2 PRO 42 HD2 PRO 42 -5.501 24.800 -19.680 311 HD3 PRO 42 HD1 PRO 42 -4.358 23.616 -19.000 312 H GLY 43 HN GLY 43 -9.285 21.946 -17.019 313 HA2 GLY 43 HA2 GLY 43 -11.630 22.245 -17.147 314 HA3 GLY 43 HA1 GLY 43 -11.412 23.541 -18.311 315 H LYS 44 HN LYS 44 -9.507 20.774 -18.949 316 HA LYS 44 HA LYS 44 -11.439 19.714 -20.949 317 HB2 LYS 44 HB2 LYS 44 -8.402 19.971 -21.147 318 HB3 LYS 44 HB1 LYS 44 -9.372 19.042 -22.282 319 HG2 LYS 44 HG2 LYS 44 -9.949 21.979 -21.873 320 HG3 LYS 44 HG1 LYS 44 -8.583 21.486 -22.865 321 HD2 LYS 44 HD2 LYS 44 -10.342 21.817 -24.409 322 HD3 LYS 44 HD1 LYS 44 -10.243 20.070 -24.221 323 HE2 LYS 44 HE2 LYS 44 -12.202 20.118 -22.725 324 HE3 LYS 44 HE1 LYS 44 -12.286 21.875 -22.869 325 HZ1 LYS 44 HZ1 LYS 44 -12.623 19.921 -25.082 326 HZ2 LYS 44 HZ2 LYS 44 -12.668 21.604 -25.251 327 HZ3 LYS 44 HZ3 LYS 44 -13.855 20.812 -24.339 328 H GLU 45 HN GLU 45 -10.937 17.448 -21.578 329 HA GLU 45 HA GLU 45 -10.342 15.692 -19.331 330 HB2 GLU 45 HB2 GLU 45 -10.949 13.883 -20.939 331 HB3 GLU 45 HB1 GLU 45 -12.192 15.126 -20.844 332 HG2 GLU 45 HG2 GLU 45 -11.237 16.138 -22.948 333 HG3 GLU 45 HG1 GLU 45 -10.166 14.739 -23.068 334 H ARG 46 HN ARG 46 -8.726 13.904 -19.604 335 HA ARG 46 HA ARG 46 -6.257 14.861 -20.835 336 HB2 ARG 46 HB2 ARG 46 -5.061 13.180 -19.626 337 HB3 ARG 46 HB1 ARG 46 -6.239 13.846 -18.515 338 HG2 ARG 46 HG2 ARG 46 -6.581 11.203 -19.963 339 HG3 ARG 46 HG1 ARG 46 -5.878 11.363 -18.353 340 HD2 ARG 46 HD2 ARG 46 -7.982 12.226 -17.481 341 HD3 ARG 46 HD1 ARG 46 -8.695 12.217 -19.097 342 HE ARG 46 HE ARG 46 -7.911 9.628 -18.698 343 HH11 ARG 46 HH11 ARG 46 -9.979 11.814 -16.880 344 HH12 ARG 46 HH12 ARG 46 -11.009 10.550 -16.298 345 HH21 ARG 46 HH21 ARG 46 -9.282 7.972 -17.930 346 HH22 ARG 46 HH22 ARG 46 -10.612 8.373 -16.889 347 H GLU 47 HN GLU 47 -5.664 14.328 -22.801 348 HA GLU 47 HA GLU 47 -6.937 12.180 -24.304 349 HB2 GLU 47 HB2 GLU 47 -6.710 14.439 -25.337 350 HB3 GLU 47 HB1 GLU 47 -4.958 14.332 -25.189 351 HG2 GLU 47 HG2 GLU 47 -5.060 12.291 -26.697 352 HG3 GLU 47 HG1 GLU 47 -6.768 12.644 -26.948 353 H PHE 48 HN PHE 48 -5.878 10.387 -24.969 354 HA PHE 48 HA PHE 48 -3.495 9.488 -23.686 355 HB2 PHE 48 HB2 PHE 48 -5.369 8.001 -24.302 356 HB3 PHE 48 HB1 PHE 48 -5.105 8.334 -26.006 357 HD1 PHE 48 HD1 PHE 48 -3.694 6.647 -23.011 358 HD2 PHE 48 HD2 PHE 48 -3.422 7.138 -27.249 359 HE1 PHE 48 HE1 PHE 48 -2.196 4.703 -23.147 360 HE2 PHE 48 HE2 PHE 48 -1.934 5.198 -27.370 361 HZ PHE 48 HZ PHE 48 -1.320 3.979 -25.331 362 H VAL 49 HN VAL 49 -1.460 9.968 -24.261 363 HA VAL 49 HA VAL 49 -0.832 10.845 -27.028 364 HB VAL 49 HB VAL 49 0.797 11.309 -24.483 365 HG11 VAL 49 HG11 VAL 49 2.148 12.900 -25.826 366 HG12 VAL 49 HG12 VAL 49 1.235 12.465 -27.272 367 HG13 VAL 49 HG13 VAL 49 2.252 11.262 -26.477 368 HG21 VAL 49 HG21 VAL 49 -1.299 12.585 -24.411 369 HG22 VAL 49 HG22 VAL 49 -0.956 13.274 -26.000 370 HG23 VAL 49 HG23 VAL 49 0.079 13.669 -24.625 371 H ALA 50 HN ALA 50 0.476 8.932 -24.328 372 HA ALA 50 HA ALA 50 1.957 7.180 -26.161 373 HB1 ALA 50 HB1 ALA 50 3.239 8.665 -23.835 374 HB2 ALA 50 HB2 ALA 50 3.512 8.997 -25.547 375 HB3 ALA 50 HB3 ALA 50 4.030 7.459 -24.855 376 H ALA 51 HN ALA 51 2.874 5.281 -24.982 377 HA ALA 51 HA ALA 51 1.549 4.553 -22.476 378 HB1 ALA 51 HB1 ALA 51 0.684 2.458 -23.358 379 HB2 ALA 51 HB2 ALA 51 1.286 2.851 -24.971 380 HB3 ALA 51 HB3 ALA 51 0.006 3.817 -24.242 381 H ILE 52 HN ILE 52 2.776 3.387 -21.222 382 HA ILE 52 HA ILE 52 5.372 2.381 -22.164 383 HB ILE 52 HB ILE 52 4.546 3.578 -19.492 384 HG12 ILE 52 HG12 ILE 52 6.630 5.046 -19.973 385 HG13 ILE 52 HG11 ILE 52 6.586 4.405 -21.607 386 HG21 ILE 52 HG21 ILE 52 6.806 3.078 -18.628 387 HG22 ILE 52 HG22 ILE 52 7.147 2.132 -20.078 388 HG23 ILE 52 HG23 ILE 52 5.881 1.612 -18.964 389 HD11 ILE 52 HD11 ILE 52 4.427 6.032 -20.265 390 HD12 ILE 52 HD12 ILE 52 4.374 5.411 -21.917 391 HD13 ILE 52 HD13 ILE 52 5.587 6.604 -21.463 392 H ARG 53 HN ARG 53 5.774 0.299 -21.962 393 HA ARG 53 HA ARG 53 3.991 -1.508 -20.439 394 HB2 ARG 53 HB2 ARG 53 5.175 -1.809 -23.229 395 HB3 ARG 53 HB1 ARG 53 4.715 -3.223 -22.297 396 HG2 ARG 53 HG2 ARG 53 2.932 -2.723 -23.816 397 HG3 ARG 53 HG1 ARG 53 2.378 -2.356 -22.186 398 HD2 ARG 53 HD2 ARG 53 2.872 0.069 -22.644 399 HD3 ARG 53 HD1 ARG 53 3.249 -0.370 -24.305 400 HE ARG 53 HE ARG 53 0.974 -0.929 -24.668 401 HH11 ARG 53 HH11 ARG 53 1.489 0.489 -21.479 402 HH12 ARG 53 HH12 ARG 53 -0.178 0.934 -21.285 403 HH21 ARG 53 HH21 ARG 53 -1.185 -0.282 -24.405 404 HH22 ARG 53 HH22 ARG 53 -1.674 0.523 -22.949 405 H TRP 54 HN TRP 54 5.199 -3.750 -20.288 406 HA TRP 54 HA TRP 54 7.538 -3.482 -18.714 407 HB2 TRP 54 HB2 TRP 54 7.491 -5.946 -18.606 408 HB3 TRP 54 HB1 TRP 54 5.866 -5.300 -18.416 409 HD1 TRP 54 HD1 TRP 54 4.320 -5.396 -20.800 410 HE1 TRP 54 HE1 TRP 54 4.175 -7.312 -22.496 411 HE3 TRP 54 HE3 TRP 54 8.692 -7.828 -19.676 412 HZ2 TRP 54 HZ2 TRP 54 5.701 -9.537 -23.290 413 HZ3 TRP 54 HZ3 TRP 54 9.271 -9.849 -20.964 414 HH2 TRP 54 HH2 TRP 54 7.803 -10.686 -22.733 415 H SER 55 HN SER 55 9.252 -5.517 -19.437 416 HA SER 55 HA SER 55 11.161 -4.259 -20.993 417 HB2 SER 55 HB2 SER 55 10.938 -7.247 -20.438 418 HB3 SER 55 HB1 SER 55 12.414 -6.358 -20.829 419 HG SER 55 HG SER 55 12.342 -5.365 -18.874 420 H GLY 56 HN GLY 56 11.157 -3.831 -23.097 421 HA2 GLY 56 HA2 GLY 56 11.424 -4.452 -25.362 422 HA3 GLY 56 HA1 GLY 56 10.439 -5.878 -25.092 423 H GLY 57 HN GLY 57 9.212 -2.942 -23.771 424 HA2 GLY 57 HA2 GLY 57 7.411 -2.499 -26.096 425 HA3 GLY 57 HA1 GLY 57 6.812 -2.576 -24.442 426 H SER 58 HN SER 58 6.061 -0.549 -24.187 427 HA SER 58 HA SER 58 5.994 1.622 -23.659 428 HB2 SER 58 HB2 SER 58 9.029 1.523 -23.485 429 HB3 SER 58 HB1 SER 58 7.975 2.746 -22.773 430 HG SER 58 HG SER 58 8.380 0.071 -22.010 431 H THR 59 HN THR 59 5.292 1.580 -25.979 432 HA THR 59 HA THR 59 6.518 3.790 -27.426 433 HB THR 59 HB THR 59 6.237 2.359 -29.641 434 HG1 THR 59 HG1 THR 59 5.636 0.513 -27.918 435 HG21 THR 59 HG21 THR 59 8.418 3.260 -28.954 436 HG22 THR 59 HG22 THR 59 8.594 1.624 -29.592 437 HG23 THR 59 HG23 THR 59 8.650 1.900 -27.849 438 H TYR 60 HN TYR 60 4.886 5.084 -27.857 439 HA TYR 60 HA TYR 60 2.673 4.399 -29.455 440 HB2 TYR 60 HB2 TYR 60 2.165 4.252 -26.579 441 HB3 TYR 60 HB1 TYR 60 1.262 5.606 -27.235 442 HD1 TYR 60 HD1 TYR 60 -0.201 5.089 -29.365 443 HD2 TYR 60 HD2 TYR 60 1.211 2.076 -26.684 444 HE1 TYR 60 HE1 TYR 60 -1.989 3.582 -30.117 445 HE2 TYR 60 HE2 TYR 60 -0.577 0.567 -27.438 446 HH TYR 60 HH TYR 60 -2.461 1.172 -30.209 447 H TYR 61 HN TYR 61 2.272 6.168 -30.632 448 HA TYR 61 HA TYR 61 2.512 8.874 -29.730 449 HB2 TYR 61 HB2 TYR 61 4.466 9.449 -31.305 450 HB3 TYR 61 HB1 TYR 61 4.906 8.568 -29.847 451 HD1 TYR 61 HD1 TYR 61 4.387 8.196 -33.528 452 HD2 TYR 61 HD2 TYR 61 5.967 6.387 -29.997 453 HE1 TYR 61 HE1 TYR 61 5.483 6.478 -34.898 454 HE2 TYR 61 HE2 TYR 61 7.073 4.667 -31.368 455 HH TYR 61 HH TYR 61 6.771 3.628 -33.627 456 H ALA 62 HN ALA 62 2.140 10.421 -31.553 457 HA ALA 62 HA ALA 62 0.486 9.393 -33.694 458 HB1 ALA 62 HB1 ALA 62 0.316 11.755 -34.389 459 HB2 ALA 62 HB2 ALA 62 1.577 12.200 -33.234 460 HB3 ALA 62 HB3 ALA 62 0.023 11.591 -32.656 461 H ASP 63 HN ASP 63 1.046 9.304 -35.914 462 HA ASP 63 HA ASP 63 3.738 8.697 -36.586 463 HB2 ASP 63 HB2 ASP 63 1.741 7.797 -37.804 464 HB3 ASP 63 HB1 ASP 63 1.445 9.395 -38.468 465 H SER 64 HN SER 64 1.904 11.672 -36.665 466 HA SER 64 HA SER 64 3.633 13.225 -38.320 467 HB2 SER 64 HB2 SER 64 1.596 14.087 -36.227 468 HB3 SER 64 HB1 SER 64 2.317 15.146 -37.440 469 HG SER 64 HG SER 64 1.329 13.008 -38.694 470 H VAL 65 HN VAL 65 3.717 12.365 -34.908 471 HA VAL 65 HA VAL 65 5.883 14.320 -34.380 472 HB VAL 65 HB VAL 65 5.490 14.023 -32.012 473 HG11 VAL 65 HG11 VAL 65 2.840 14.429 -33.441 474 HG12 VAL 65 HG12 VAL 65 4.056 15.666 -33.118 475 HG13 VAL 65 HG13 VAL 65 3.194 14.910 -31.778 476 HG21 VAL 65 HG21 VAL 65 3.407 11.919 -32.709 477 HG22 VAL 65 HG22 VAL 65 3.717 12.551 -31.089 478 HG23 VAL 65 HG23 VAL 65 4.963 11.630 -31.931 479 H LYS 66 HN LYS 66 5.713 11.346 -35.550 480 HA LYS 66 HA LYS 66 7.110 9.561 -33.920 481 HB2 LYS 66 HB2 LYS 66 5.855 8.841 -35.878 482 HB3 LYS 66 HB1 LYS 66 6.907 9.758 -36.950 483 HG2 LYS 66 HG2 LYS 66 8.780 8.236 -36.427 484 HG3 LYS 66 HG1 LYS 66 7.740 7.329 -35.326 485 HD2 LYS 66 HD2 LYS 66 7.948 6.190 -37.510 486 HD3 LYS 66 HD1 LYS 66 6.282 6.681 -37.195 487 HE2 LYS 66 HE2 LYS 66 6.604 8.665 -38.664 488 HE3 LYS 66 HE1 LYS 66 8.257 8.134 -39.001 489 HZ1 LYS 66 HZ1 LYS 66 5.765 6.664 -39.666 490 HZ2 LYS 66 HZ2 LYS 66 7.337 6.105 -39.958 491 HZ3 LYS 66 HZ3 LYS 66 6.769 7.483 -40.756 492 H GLY 67 HN GLY 67 9.106 9.742 -33.129 493 HA2 GLY 67 HA2 GLY 67 11.452 9.512 -33.412 494 HA3 GLY 67 HA1 GLY 67 11.374 10.473 -34.880 495 H ARG 68 HN ARG 68 9.644 12.504 -33.569 496 HA ARG 68 HA ARG 68 11.721 14.093 -32.252 497 HB2 ARG 68 HB2 ARG 68 8.860 14.821 -33.033 498 HB3 ARG 68 HB1 ARG 68 10.071 15.947 -32.414 499 HG2 ARG 68 HG2 ARG 68 11.467 15.523 -34.422 500 HG3 ARG 68 HG1 ARG 68 10.228 14.425 -35.042 501 HD2 ARG 68 HD2 ARG 68 9.906 17.405 -34.530 502 HD3 ARG 68 HD1 ARG 68 10.055 16.628 -36.109 503 HE ARG 68 HE ARG 68 7.881 15.451 -34.856 504 HH11 ARG 68 HH11 ARG 68 8.693 18.685 -35.989 505 HH12 ARG 68 HH12 ARG 68 7.040 19.115 -36.279 506 HH21 ARG 68 HH21 ARG 68 5.737 16.042 -35.275 507 HH22 ARG 68 HH22 ARG 68 5.372 17.631 -35.855 508 H PHE 69 HN PHE 69 8.302 13.297 -31.586 509 HA PHE 69 HA PHE 69 8.694 13.410 -28.698 510 HB2 PHE 69 HB2 PHE 69 6.243 12.729 -30.375 511 HB3 PHE 69 HB1 PHE 69 6.258 12.719 -28.620 512 HD1 PHE 69 HD1 PHE 69 7.583 15.243 -31.108 513 HD2 PHE 69 HD2 PHE 69 4.862 14.448 -27.901 514 HE1 PHE 69 HE1 PHE 69 6.841 17.589 -31.146 515 HE2 PHE 69 HE2 PHE 69 4.139 16.802 -27.943 516 HZ PHE 69 HZ PHE 69 5.122 18.368 -29.566 517 H THR 70 HN THR 70 9.288 11.677 -27.597 518 HA THR 70 HA THR 70 8.800 8.931 -28.424 519 HB THR 70 HB THR 70 11.358 8.484 -27.873 520 HG1 THR 70 HG1 THR 70 11.346 11.252 -28.524 521 HG21 THR 70 HG21 THR 70 12.045 8.748 -30.231 522 HG22 THR 70 HG22 THR 70 10.637 9.765 -30.541 523 HG23 THR 70 HG23 THR 70 10.421 8.062 -30.130 524 H ILE 71 HN ILE 71 9.093 7.458 -26.664 525 HA ILE 71 HA ILE 71 9.440 8.649 -23.980 526 HB ILE 71 HB ILE 71 7.817 7.030 -23.021 527 HG12 ILE 71 HG12 ILE 71 7.875 5.328 -24.926 528 HG13 ILE 71 HG11 ILE 71 6.278 5.698 -24.297 529 HG21 ILE 71 HG21 ILE 71 7.110 9.291 -23.452 530 HG22 ILE 71 HG22 ILE 71 5.767 8.181 -23.718 531 HG23 ILE 71 HG23 ILE 71 6.627 8.873 -25.098 532 HD11 ILE 71 HD11 ILE 71 5.815 7.088 -26.239 533 HD12 ILE 71 HD12 ILE 71 6.292 5.461 -26.718 534 HD13 ILE 71 HD13 ILE 71 7.442 6.790 -26.860 535 H SER 72 HN SER 72 10.216 7.226 -22.375 536 HA SER 72 HA SER 72 11.355 4.653 -23.139 537 HB2 SER 72 HB2 SER 72 13.122 6.307 -23.792 538 HB3 SER 72 HB1 SER 72 13.121 6.949 -22.152 539 HG SER 72 HG SER 72 13.982 4.403 -23.055 540 H ARG 73 HN ARG 73 11.339 3.315 -21.416 541 HA ARG 73 HA ARG 73 10.905 4.408 -18.697 542 HB2 ARG 73 HB2 ARG 73 9.078 2.942 -19.390 543 HB3 ARG 73 HB1 ARG 73 10.213 1.690 -19.884 544 HG2 ARG 73 HG2 ARG 73 10.935 1.521 -17.440 545 HG3 ARG 73 HG1 ARG 73 9.588 2.592 -17.044 546 HD2 ARG 73 HD2 ARG 73 9.109 0.128 -16.733 547 HD3 ARG 73 HD1 ARG 73 7.983 0.962 -17.805 548 HE ARG 73 HE ARG 73 8.800 -0.208 -19.613 549 HH11 ARG 73 HH11 ARG 73 10.645 -1.127 -16.760 550 HH12 ARG 73 HH12 ARG 73 11.531 -2.357 -17.598 551 HH21 ARG 73 HH21 ARG 73 9.957 -1.815 -20.672 552 HH22 ARG 73 HH22 ARG 73 11.141 -2.745 -19.814 553 H ASP 74 HN ASP 74 12.421 4.026 -17.210 554 HA ASP 74 HA ASP 74 14.613 2.114 -17.753 555 HB2 ASP 74 HB2 ASP 74 15.164 4.605 -17.318 556 HB3 ASP 74 HB1 ASP 74 14.615 4.354 -15.664 557 H ASN 75 HN ASN 75 14.511 0.264 -16.591 558 HA ASN 75 HA ASN 75 12.478 -0.052 -14.510 559 HB2 ASN 75 HB2 ASN 75 12.901 -1.700 -16.466 560 HB3 ASN 75 HB1 ASN 75 14.324 -2.230 -15.580 561 HD21 ASN 75 HD21 ASN 75 14.019 -3.366 -13.597 562 HD22 ASN 75 HD22 ASN 75 12.504 -4.091 -13.201 563 H ALA 76 HN ALA 76 15.901 0.388 -14.749 564 HA ALA 76 HA ALA 76 16.774 -1.054 -12.459 565 HB1 ALA 76 HB1 ALA 76 18.298 -0.464 -14.300 566 HB2 ALA 76 HB2 ALA 76 18.911 0.117 -12.752 567 HB3 ALA 76 HB3 ALA 76 18.156 1.245 -13.884 568 H LYS 77 HN LYS 77 16.009 2.443 -12.931 569 HA LYS 77 HA LYS 77 15.630 2.614 -9.991 570 HB2 LYS 77 HB2 LYS 77 16.111 5.055 -10.080 571 HB3 LYS 77 HB1 LYS 77 17.499 4.048 -10.442 572 HG2 LYS 77 HG2 LYS 77 15.870 5.274 -12.678 573 HG3 LYS 77 HG1 LYS 77 17.081 6.230 -11.814 574 HD2 LYS 77 HD2 LYS 77 18.778 4.423 -12.391 575 HD3 LYS 77 HD1 LYS 77 17.536 3.684 -13.410 576 HE2 LYS 77 HE2 LYS 77 17.431 5.794 -14.741 577 HE3 LYS 77 HE1 LYS 77 18.749 6.447 -13.763 578 HZ1 LYS 77 HZ1 LYS 77 20.139 4.601 -14.523 579 HZ2 LYS 77 HZ2 LYS 77 19.577 5.526 -15.820 580 HZ3 LYS 77 HZ3 LYS 77 18.870 4.027 -15.487 581 H ASN 78 HN ASN 78 13.807 2.029 -12.419 582 HA ASN 78 HA ASN 78 11.629 2.324 -13.005 583 HB2 ASN 78 HB2 ASN 78 11.469 2.814 -10.010 584 HB3 ASN 78 HB1 ASN 78 10.047 2.579 -11.017 585 HD21 ASN 78 HD21 ASN 78 9.642 0.508 -11.896 586 HD22 ASN 78 HD22 ASN 78 10.413 -0.906 -11.278 587 H THR 79 HN THR 79 12.713 4.371 -14.033 588 HA THR 79 HA THR 79 11.019 6.713 -13.391 589 HB THR 79 HB THR 79 13.968 6.825 -14.175 590 HG1 THR 79 HG1 THR 79 13.122 6.274 -11.875 591 HG21 THR 79 HG21 THR 79 13.790 9.260 -13.761 592 HG22 THR 79 HG22 THR 79 12.060 9.089 -13.463 593 HG23 THR 79 HG23 THR 79 12.714 8.767 -15.073 594 H VAL 80 HN VAL 80 9.978 7.534 -15.118 595 HA VAL 80 HA VAL 80 10.527 6.443 -17.812 596 HB VAL 80 HB VAL 80 7.916 7.538 -16.667 597 HG11 VAL 80 HG11 VAL 80 8.440 6.255 -19.374 598 HG12 VAL 80 HG12 VAL 80 8.071 7.957 -19.085 599 HG13 VAL 80 HG13 VAL 80 6.856 6.722 -18.748 600 HG21 VAL 80 HG21 VAL 80 8.699 4.658 -17.272 601 HG22 VAL 80 HG22 VAL 80 7.101 5.196 -16.750 602 HG23 VAL 80 HG23 VAL 80 8.482 5.362 -15.665 603 H TYR 81 HN TYR 81 11.226 7.846 -19.295 604 HA TYR 81 HA TYR 81 11.102 10.751 -18.833 605 HB2 TYR 81 HB2 TYR 81 12.821 9.213 -20.830 606 HB3 TYR 81 HB1 TYR 81 12.983 10.908 -20.379 607 HD1 TYR 81 HD1 TYR 81 13.822 7.467 -19.470 608 HD2 TYR 81 HD2 TYR 81 13.833 11.507 -18.059 609 HE1 TYR 81 HE1 TYR 81 15.386 6.837 -17.682 610 HE2 TYR 81 HE2 TYR 81 15.409 10.873 -16.277 611 HH TYR 81 HH TYR 81 17.124 7.985 -16.265 612 H LEU 82 HN LEU 82 10.272 12.143 -20.394 613 HA LEU 82 HA LEU 82 8.982 11.009 -22.818 614 HB2 LEU 82 HB2 LEU 82 7.242 11.647 -21.213 615 HB3 LEU 82 HB1 LEU 82 7.973 13.221 -20.985 616 HG LEU 82 HG LEU 82 7.400 13.812 -23.346 617 HD11 LEU 82 HD11 LEU 82 7.349 11.592 -24.348 618 HD12 LEU 82 HD12 LEU 82 5.841 12.454 -24.641 619 HD13 LEU 82 HD13 LEU 82 5.904 11.182 -23.416 620 HD21 LEU 82 HD21 LEU 82 5.903 14.488 -21.524 621 HD22 LEU 82 HD22 LEU 82 5.004 12.978 -21.683 622 HD23 LEU 82 HD23 LEU 82 5.000 14.153 -23.001 623 H GLN 83 HN GLN 83 10.456 11.570 -24.326 624 HA GLN 83 HA GLN 83 11.782 14.180 -24.311 625 HB2 GLN 83 HB2 GLN 83 13.108 12.090 -24.727 626 HB3 GLN 83 HB1 GLN 83 12.151 11.783 -26.164 627 HG2 GLN 83 HG2 GLN 83 14.363 12.752 -26.684 628 HG3 GLN 83 HG1 GLN 83 13.033 13.753 -27.259 629 HE21 GLN 83 HE21 GLN 83 12.619 15.742 -26.243 630 HE22 GLN 83 HE22 GLN 83 13.756 16.503 -25.197 631 H MET 84 HN MET 84 10.347 15.723 -25.048 632 HA MET 84 HA MET 84 8.894 15.267 -27.592 633 HB2 MET 84 HB2 MET 84 8.391 17.394 -25.462 634 HB3 MET 84 HB1 MET 84 7.426 17.128 -26.909 635 HG2 MET 84 HG2 MET 84 6.899 14.825 -25.997 636 HG3 MET 84 HG1 MET 84 7.657 15.337 -24.489 637 HE1 MET 84 HE1 MET 84 5.231 18.336 -23.452 638 HE2 MET 84 HE2 MET 84 6.670 18.517 -24.453 639 HE3 MET 84 HE3 MET 84 6.710 17.477 -23.030 640 H ASN 85 HN ASN 85 10.143 15.957 -29.260 641 HA ASN 85 HA ASN 85 11.601 18.537 -29.058 642 HB2 ASN 85 HB2 ASN 85 11.984 16.279 -31.067 643 HB3 ASN 85 HB1 ASN 85 12.901 17.782 -31.040 644 HD21 ASN 85 HD21 ASN 85 14.920 17.022 -30.586 645 HD22 ASN 85 HD22 ASN 85 15.333 16.113 -29.178 646 H SER 86 HN SER 86 11.384 20.081 -30.703 647 HA SER 86 HA SER 86 10.243 21.476 -32.046 648 HB2 SER 86 HB2 SER 86 10.732 19.795 -33.798 649 HB3 SER 86 HB1 SER 86 9.259 18.918 -33.393 650 HG SER 86 HG SER 86 8.089 20.817 -34.018 651 H LEU 87 HN LEU 87 9.174 21.611 -29.814 652 HA LEU 87 HA LEU 87 6.431 20.784 -29.581 653 HB2 LEU 87 HB2 LEU 87 8.278 22.520 -27.936 654 HB3 LEU 87 HB1 LEU 87 6.565 22.437 -27.550 655 HG LEU 87 HG LEU 87 8.392 19.998 -27.664 656 HD11 LEU 87 HD11 LEU 87 9.098 21.458 -25.835 657 HD12 LEU 87 HD12 LEU 87 8.346 19.989 -25.222 658 HD13 LEU 87 HD13 LEU 87 7.446 21.510 -25.212 659 HD21 LEU 87 HD21 LEU 87 5.558 20.323 -26.620 660 HD22 LEU 87 HD22 LEU 87 6.530 18.850 -26.547 661 HD23 LEU 87 HD23 LEU 87 6.034 19.496 -28.105 662 H LYS 88 HN LYS 88 4.624 22.145 -29.451 663 HA LYS 88 HA LYS 88 4.699 24.504 -31.248 664 HB2 LYS 88 HB2 LYS 88 2.495 22.463 -30.691 665 HB3 LYS 88 HB1 LYS 88 2.311 23.861 -31.746 666 HG2 LYS 88 HG2 LYS 88 3.835 22.970 -33.357 667 HG3 LYS 88 HG1 LYS 88 4.390 21.715 -32.248 668 HD2 LYS 88 HD2 LYS 88 1.508 21.837 -33.219 669 HD3 LYS 88 HD1 LYS 88 2.769 21.021 -34.142 670 HE2 LYS 88 HE2 LYS 88 1.578 19.375 -32.830 671 HE3 LYS 88 HE1 LYS 88 3.202 19.534 -32.176 672 HZ1 LYS 88 HZ1 LYS 88 2.289 20.899 -30.395 673 HZ2 LYS 88 HZ2 LYS 88 1.562 19.377 -30.440 674 HZ3 LYS 88 HZ3 LYS 88 0.737 20.721 -31.036 675 HA PRO 89 HA PRO 89 3.305 27.140 -27.935 676 HB2 PRO 89 HB2 PRO 89 1.199 28.585 -29.069 677 HB3 PRO 89 HB1 PRO 89 2.912 28.923 -29.345 678 HG2 PRO 89 HG2 PRO 89 0.997 27.316 -31.037 679 HG3 PRO 89 HG1 PRO 89 2.171 28.552 -31.548 680 HD2 PRO 89 HD2 PRO 89 2.751 25.961 -31.829 681 HD3 PRO 89 HD1 PRO 89 4.008 27.092 -31.279 682 H GLU 90 HN GLU 90 0.846 25.199 -29.524 683 HA GLU 90 HA GLU 90 -1.268 25.412 -27.638 684 HB2 GLU 90 HB2 GLU 90 -2.156 23.365 -28.789 685 HB3 GLU 90 HB1 GLU 90 -1.697 24.659 -29.895 686 HG2 GLU 90 HG2 GLU 90 0.458 23.492 -30.329 687 HG3 GLU 90 HG1 GLU 90 -0.072 22.167 -29.292 688 H ASP 91 HN ASP 91 1.713 23.651 -27.529 689 HA ASP 91 HA ASP 91 0.937 21.742 -25.498 690 HB2 ASP 91 HB2 ASP 91 3.693 22.589 -26.499 691 HB3 ASP 91 HB1 ASP 91 3.406 21.270 -25.369 692 H THR 92 HN THR 92 0.962 24.977 -25.197 693 HA THR 92 HA THR 92 2.064 25.111 -22.512 694 HB THR 92 HB THR 92 0.139 27.008 -23.944 695 HG1 THR 92 HG1 THR 92 2.175 26.938 -24.926 696 HG21 THR 92 HG21 THR 92 0.778 28.678 -22.231 697 HG22 THR 92 HG22 THR 92 1.734 27.456 -21.391 698 HG23 THR 92 HG23 THR 92 -0.019 27.286 -21.490 699 H ALA 93 HN ALA 93 1.144 23.417 -21.424 700 HA ALA 93 HA ALA 93 -1.537 23.551 -20.410 701 HB1 ALA 93 HB1 ALA 93 -0.878 21.338 -22.407 702 HB2 ALA 93 HB2 ALA 93 -2.013 22.662 -22.678 703 HB3 ALA 93 HB3 ALA 93 -2.355 21.447 -21.447 704 H VAL 94 HN VAL 94 -1.838 20.921 -19.570 705 HA VAL 94 HA VAL 94 0.631 20.329 -18.057 706 HB VAL 94 HB VAL 94 -1.104 21.126 -16.554 707 HG11 VAL 94 HG11 VAL 94 -3.281 20.015 -16.226 708 HG12 VAL 94 HG12 VAL 94 -2.941 18.934 -17.577 709 HG13 VAL 94 HG13 VAL 94 -3.131 20.663 -17.864 710 HG21 VAL 94 HG21 VAL 94 0.370 19.355 -15.724 711 HG22 VAL 94 HG22 VAL 94 -0.775 18.126 -16.270 712 HG23 VAL 94 HG23 VAL 94 -1.228 19.243 -14.980 713 H TYR 95 HN TYR 95 1.627 18.642 -19.009 714 HA TYR 95 HA TYR 95 0.176 16.323 -20.021 715 HB2 TYR 95 HB2 TYR 95 3.091 17.133 -19.918 716 HB3 TYR 95 HB1 TYR 95 2.713 15.425 -20.040 717 HD1 TYR 95 HD1 TYR 95 2.597 14.505 -22.215 718 HD2 TYR 95 HD2 TYR 95 1.741 18.664 -21.717 719 HE1 TYR 95 HE1 TYR 95 2.371 14.750 -24.645 720 HE2 TYR 95 HE2 TYR 95 1.524 18.906 -24.156 721 HH TYR 95 HH TYR 95 2.380 17.694 -26.216 722 H LEU 96 HN LEU 96 -0.193 14.522 -18.829 723 HA LEU 96 HA LEU 96 0.891 14.327 -16.102 724 HB2 LEU 96 HB2 LEU 96 -1.311 13.715 -15.198 725 HB3 LEU 96 HB1 LEU 96 -1.314 15.340 -15.845 726 HG LEU 96 HG LEU 96 -2.548 12.940 -17.277 727 HD11 LEU 96 HD11 LEU 96 -3.750 13.367 -15.189 728 HD12 LEU 96 HD12 LEU 96 -4.735 13.805 -16.582 729 HD13 LEU 96 HD13 LEU 96 -3.951 15.068 -15.626 730 HD21 LEU 96 HD21 LEU 96 -3.698 14.625 -18.671 731 HD22 LEU 96 HD22 LEU 96 -1.950 14.721 -18.841 732 HD23 LEU 96 HD23 LEU 96 -2.802 15.913 -17.857 733 H CYS 97 HN CYS 97 1.748 12.400 -15.719 734 HA CYS 97 HA CYS 97 1.305 10.205 -17.599 735 HB2 CYS 97 HB2 CYS 97 3.162 9.087 -16.427 736 HB3 CYS 97 HB1 CYS 97 3.622 10.720 -16.893 737 HG CYS 97 HG CYS 97 2.436 11.059 -13.938 738 H ALA 98 HN ALA 98 0.288 8.373 -17.101 739 HA ALA 98 HA ALA 98 -1.111 8.111 -14.524 740 HB1 ALA 98 HB1 ALA 98 -1.870 7.031 -17.257 741 HB2 ALA 98 HB2 ALA 98 -2.571 8.451 -16.482 742 HB3 ALA 98 HB3 ALA 98 -2.808 6.855 -15.769 743 H ALA 99 HN ALA 99 -1.240 6.041 -13.625 744 HA ALA 99 HA ALA 99 0.590 3.945 -14.625 745 HB1 ALA 99 HB1 ALA 99 1.685 5.137 -12.768 746 HB2 ALA 99 HB2 ALA 99 1.259 3.496 -12.287 747 HB3 ALA 99 HB3 ALA 99 0.278 4.856 -11.738 748 H GLY 100 HN GLY 100 0.077 1.822 -13.587 749 HA2 GLY 100 HA2 GLY 100 -2.148 1.111 -12.150 750 HA3 GLY 100 HA1 GLY 100 -2.715 1.212 -13.818 751 H VAL 101 HN VAL 101 -3.102 -1.129 -13.265 752 HA VAL 101 HA VAL 101 -0.835 -2.708 -14.297 753 HB VAL 101 HB VAL 101 -1.623 -4.688 -12.913 754 HG11 VAL 101 HG11 VAL 101 0.386 -3.415 -12.253 755 HG12 VAL 101 HG12 VAL 101 -0.477 -3.994 -10.827 756 HG13 VAL 101 HG13 VAL 101 -0.609 -2.301 -11.312 757 HG21 VAL 101 HG21 VAL 101 -3.004 -4.282 -10.889 758 HG22 VAL 101 HG22 VAL 101 -3.906 -3.907 -12.358 759 HG23 VAL 101 HG23 VAL 101 -3.235 -2.600 -11.381 760 H TRP 102 HN TRP 102 -1.375 -4.294 -15.752 761 HA TRP 102 HA TRP 102 -3.594 -3.931 -17.427 762 HB2 TRP 102 HB2 TRP 102 -1.709 -6.312 -17.135 763 HB3 TRP 102 HB1 TRP 102 -2.909 -6.175 -18.417 764 HD1 TRP 102 HD1 TRP 102 0.379 -4.526 -17.230 765 HE1 TRP 102 HE1 TRP 102 1.415 -3.267 -19.214 766 HE3 TRP 102 HE3 TRP 102 -3.406 -5.108 -20.615 767 HZ2 TRP 102 HZ2 TRP 102 0.724 -2.611 -21.866 768 HZ3 TRP 102 HZ3 TRP 102 -3.133 -4.146 -22.866 769 HH2 TRP 102 HH2 TRP 102 -1.104 -2.920 -23.481 770 H ARG 103 HN ARG 103 -5.634 -4.382 -17.060 771 HA ARG 103 HA ARG 103 -6.523 -6.060 -14.895 772 HB2 ARG 103 HB2 ARG 103 -7.585 -3.837 -15.934 773 HB3 ARG 103 HB1 ARG 103 -8.387 -4.957 -17.020 774 HG2 ARG 103 HG2 ARG 103 -8.600 -5.229 -14.008 775 HG3 ARG 103 HG1 ARG 103 -9.654 -4.147 -14.912 776 HD2 ARG 103 HD2 ARG 103 -10.548 -6.021 -16.187 777 HD3 ARG 103 HD1 ARG 103 -9.427 -7.133 -15.401 778 HE ARG 103 HE ARG 103 -10.597 -6.633 -13.275 779 HH11 ARG 103 HH11 ARG 103 -12.338 -5.946 -16.264 780 HH12 ARG 103 HH12 ARG 103 -13.896 -6.226 -15.560 781 HH21 ARG 103 HH21 ARG 103 -12.669 -6.982 -12.369 782 HH22 ARG 103 HH22 ARG 103 -14.080 -6.782 -13.353 783 H SER 104 HN SER 104 -7.755 -7.986 -15.084 784 HA SER 104 HA SER 104 -6.839 -9.971 -16.800 785 HB2 SER 104 HB2 SER 104 -9.454 -9.922 -15.234 786 HB3 SER 104 HB1 SER 104 -8.645 -11.374 -15.837 787 HG SER 104 HG SER 104 -8.224 -10.056 -13.560 788 H SER 105 HN SER 105 -9.294 -7.651 -17.415 789 HA SER 105 HA SER 105 -10.902 -8.970 -19.345 790 HB2 SER 105 HB2 SER 105 -11.604 -6.592 -19.889 791 HB3 SER 105 HB1 SER 105 -11.685 -6.985 -18.170 792 HG SER 105 HG SER 105 -10.651 -4.937 -18.692 793 H GLY 106 HN GLY 106 -7.752 -7.519 -19.514 794 HA2 GLY 106 HA2 GLY 106 -6.251 -7.733 -21.352 795 HA3 GLY 106 HA1 GLY 106 -7.621 -7.825 -22.448 796 H TRP 107 HN TRP 107 -8.035 -5.437 -20.111 797 HA TRP 107 HA TRP 107 -7.478 -3.281 -22.020 798 HB2 TRP 107 HB2 TRP 107 -9.111 -3.418 -19.450 799 HB3 TRP 107 HB1 TRP 107 -8.702 -1.881 -20.206 800 HD1 TRP 107 HD1 TRP 107 -10.586 -5.162 -21.146 801 HE1 TRP 107 HE1 TRP 107 -12.482 -4.535 -22.764 802 HE3 TRP 107 HE3 TRP 107 -9.592 -0.172 -21.679 803 HZ2 TRP 107 HZ2 TRP 107 -13.426 -2.253 -24.102 804 HZ3 TRP 107 HZ3 TRP 107 -11.042 1.167 -23.154 805 HH2 TRP 107 HH2 TRP 107 -12.923 0.144 -24.343 806 H ASP 108 HN ASP 108 -5.780 -2.001 -21.843 807 HA ASP 108 HA ASP 108 -3.993 -1.915 -19.586 808 HB2 ASP 108 HB2 ASP 108 -3.208 -1.470 -21.913 809 HB3 ASP 108 HB1 ASP 108 -4.251 -0.053 -22.002 810 H THR 109 HN THR 109 -5.162 -1.327 -17.792 811 HA THR 109 HA THR 109 -6.935 1.011 -17.863 812 HB THR 109 HB THR 109 -7.574 0.176 -15.512 813 HG1 THR 109 HG1 THR 109 -5.574 -1.200 -15.414 814 HG21 THR 109 HG21 THR 109 -9.015 -1.639 -16.351 815 HG22 THR 109 HG22 THR 109 -8.060 -1.733 -17.832 816 HG23 THR 109 HG23 THR 109 -9.000 -0.281 -17.480 817 HA PRO 110 HA PRO 110 -3.620 3.218 -15.560 818 HB2 PRO 110 HB2 PRO 110 -4.195 5.709 -16.431 819 HB3 PRO 110 HB1 PRO 110 -3.308 4.564 -17.449 820 HG2 PRO 110 HG2 PRO 110 -6.207 5.355 -17.560 821 HG3 PRO 110 HG1 PRO 110 -5.069 5.072 -18.895 822 HD2 PRO 110 HD2 PRO 110 -6.923 3.201 -17.985 823 HD3 PRO 110 HD1 PRO 110 -5.448 2.800 -18.885 824 H ASP 111 HN ASP 111 -4.767 2.533 -13.686 825 HA ASP 111 HA ASP 111 -7.226 3.726 -12.798 826 HB2 ASP 111 HB2 ASP 111 -6.620 1.429 -12.188 827 HB3 ASP 111 HB1 ASP 111 -5.169 1.989 -11.363 828 H TYR 112 HN TYR 112 -3.896 4.481 -12.466 829 HA TYR 112 HA TYR 112 -4.333 6.445 -10.304 830 HB2 TYR 112 HB2 TYR 112 -1.694 5.142 -11.124 831 HB3 TYR 112 HB1 TYR 112 -1.985 6.144 -9.702 832 HD1 TYR 112 HD1 TYR 112 -2.348 2.793 -11.151 833 HD2 TYR 112 HD2 TYR 112 -3.208 5.209 -7.742 834 HE1 TYR 112 HE1 TYR 112 -2.847 0.771 -9.849 835 HE2 TYR 112 HE2 TYR 112 -3.709 3.189 -6.440 836 HH TYR 112 HH TYR 112 -4.246 0.936 -6.664 837 H TRP 113 HN TRP 113 -3.526 8.515 -10.582 838 HA TRP 113 HA TRP 113 -1.897 9.147 -12.971 839 HB2 TRP 113 HB2 TRP 113 -4.300 10.704 -11.913 840 HB3 TRP 113 HB1 TRP 113 -3.029 11.514 -12.825 841 HD1 TRP 113 HD1 TRP 113 -2.941 11.128 -15.445 842 HE1 TRP 113 HE1 TRP 113 -4.546 10.029 -17.120 843 HE3 TRP 113 HE3 TRP 113 -6.046 8.713 -12.159 844 HZ2 TRP 113 HZ2 TRP 113 -6.814 8.371 -17.079 845 HZ3 TRP 113 HZ3 TRP 113 -7.918 7.394 -13.066 846 HH2 TRP 113 HH2 TRP 113 -8.293 7.225 -15.478 847 H GLY 114 HN GLY 114 -0.288 10.692 -12.601 848 HA2 GLY 114 HA2 GLY 114 0.893 10.515 -10.015 849 HA3 GLY 114 HA1 GLY 114 1.513 11.409 -11.390 850 H GLN 115 HN GLN 115 0.558 13.511 -11.839 851 HA GLN 115 HA GLN 115 -0.839 14.990 -9.813 852 HB2 GLN 115 HB2 GLN 115 1.098 16.544 -9.275 853 HB3 GLN 115 HB1 GLN 115 1.270 14.922 -8.615 854 HG2 GLN 115 HG2 GLN 115 2.854 14.320 -10.368 855 HG3 GLN 115 HG1 GLN 115 2.613 15.876 -11.160 856 HE21 GLN 115 HE21 GLN 115 4.826 16.356 -11.035 857 HE22 GLN 115 HE22 GLN 115 5.582 16.802 -9.552 858 H GLY 116 HN GLY 116 1.294 14.975 -12.610 859 HA2 GLY 116 HA2 GLY 116 0.737 15.930 -14.700 860 HA3 GLY 116 HA1 GLY 116 -0.252 17.129 -13.883 861 H THR 117 HN THR 117 2.604 16.692 -15.466 862 HA THR 117 HA THR 117 4.027 18.869 -14.117 863 HB THR 117 HB THR 117 5.442 16.995 -14.678 864 HG1 THR 117 HG1 THR 117 6.247 18.731 -16.712 865 HG21 THR 117 HG21 THR 117 4.164 15.975 -16.509 866 HG22 THR 117 HG22 THR 117 5.846 16.215 -16.985 867 HG23 THR 117 HG23 THR 117 4.597 17.314 -17.576 868 H GLN 118 HN GLN 118 3.451 20.858 -14.638 869 HA GLN 118 HA GLN 118 1.953 21.600 -16.956 870 HB2 GLN 118 HB2 GLN 118 3.307 23.242 -14.782 871 HB3 GLN 118 HB1 GLN 118 2.354 23.974 -16.067 872 HG2 GLN 118 HG2 GLN 118 1.108 21.840 -14.343 873 HG3 GLN 118 HG1 GLN 118 1.303 23.466 -13.702 874 HE21 GLN 118 HE21 GLN 118 0.585 22.978 -17.145 875 HE22 GLN 118 HE22 GLN 118 -1.039 23.544 -17.056 876 H VAL 119 HN VAL 119 3.053 21.252 -18.830 877 HA VAL 119 HA VAL 119 5.706 22.383 -19.312 878 HB VAL 119 HB VAL 119 5.518 21.338 -21.573 879 HG11 VAL 119 HG11 VAL 119 6.473 20.003 -19.738 880 HG12 VAL 119 HG12 VAL 119 5.590 18.963 -20.858 881 HG13 VAL 119 HG13 VAL 119 4.866 19.408 -19.310 882 HG21 VAL 119 HG21 VAL 119 3.074 21.534 -21.902 883 HG22 VAL 119 HG22 VAL 119 2.798 20.324 -20.651 884 HG23 VAL 119 HG23 VAL 119 3.611 19.871 -22.151 885 H THR 120 HN THR 120 6.025 24.249 -20.484 886 HA THR 120 HA THR 120 3.614 25.737 -21.376 887 HB THR 120 HB THR 120 5.943 26.969 -19.824 888 HG1 THR 120 HG1 THR 120 4.785 25.490 -18.488 889 HG21 THR 120 HG21 THR 120 3.157 28.030 -20.414 890 HG22 THR 120 HG22 THR 120 4.641 28.568 -21.202 891 HG23 THR 120 HG23 THR 120 4.403 28.859 -19.476 892 H VAL 121 HN VAL 121 3.964 25.767 -23.587 893 HA VAL 121 HA VAL 121 6.700 26.401 -24.531 894 HB VAL 121 HB VAL 121 4.412 25.214 -26.154 895 HG11 VAL 121 HG11 VAL 121 6.035 26.470 -27.533 896 HG12 VAL 121 HG12 VAL 121 6.150 24.741 -27.854 897 HG13 VAL 121 HG13 VAL 121 7.366 25.532 -26.847 898 HG21 VAL 121 HG21 VAL 121 6.819 23.805 -24.923 899 HG22 VAL 121 HG22 VAL 121 5.626 23.061 -25.990 900 HG23 VAL 121 HG23 VAL 121 5.140 23.640 -24.396 901 H SER 122 HN SER 122 6.769 28.603 -24.394 902 HA SER 122 HA SER 122 4.650 30.323 -25.286 903 HB2 SER 122 HB2 SER 122 6.387 31.042 -23.646 904 HB3 SER 122 HB1 SER 122 7.605 30.985 -24.922 905 HG SER 122 HG SER 122 6.843 33.090 -24.676 906 H SER 123 HN SER 123 4.163 30.971 -27.300 907 HA SER 123 HA SER 123 5.303 29.929 -29.646 908 HB2 SER 123 HB2 SER 123 2.983 30.777 -29.530 909 HB3 SER 123 HB1 SER 123 3.578 32.418 -29.282 910 HG SER 123 HG SER 123 3.738 32.594 -31.353 911 H LEU 124 HN LEU 124 7.473 30.272 -29.868 912 HA LEU 124 HA LEU 124 9.313 31.163 -30.742 913 HB2 LEU 124 HB2 LEU 124 7.557 33.563 -31.148 914 HB3 LEU 124 HB1 LEU 124 9.279 33.719 -31.406 915 HG LEU 124 HG LEU 124 8.147 33.360 -33.530 916 HD11 LEU 124 HD11 LEU 124 9.772 30.912 -32.778 917 HD12 LEU 124 HD12 LEU 124 10.403 32.465 -33.334 918 HD13 LEU 124 HD13 LEU 124 9.428 31.477 -34.417 919 HD21 LEU 124 HD21 LEU 124 6.936 31.305 -34.095 920 HD22 LEU 124 HD22 LEU 124 6.154 32.158 -32.767 921 HD23 LEU 124 HD23 LEU 124 7.121 30.720 -32.438 922 H GLU 125 HN GLU 125 7.863 33.222 -28.232 923 HA GLU 125 HA GLU 125 10.349 34.304 -27.307 924 HB2 GLU 125 HB2 GLU 125 7.635 34.123 -25.919 925 HB3 GLU 125 HB1 GLU 125 9.018 34.974 -25.251 926 HG2 GLU 125 HG2 GLU 125 7.634 36.636 -26.193 927 HG3 GLU 125 HG1 GLU 125 8.984 36.460 -27.308 928 H HIS 126 HN HIS 126 11.435 33.851 -25.353 929 HA HIS 126 HA HIS 126 11.481 31.008 -24.610 930 HB2 HIS 126 HB2 HIS 126 13.456 33.284 -24.160 931 HB3 HIS 126 HB1 HIS 126 13.667 31.680 -23.467 932 HD1 HIS 126 HD1 HIS 126 15.606 30.791 -24.761 933 HD2 HIS 126 HD2 HIS 126 12.727 32.465 -27.247 934 HE1 HIS 126 HE1 HIS 126 16.368 30.290 -27.102 935 HE2 HIS 126 HE2 HIS 126 14.545 31.203 -28.583 936 H HIS 127 HN HIS 127 12.651 31.370 -21.972 937 HA HIS 127 HA HIS 127 10.425 30.779 -20.510 938 HB2 HIS 127 HB2 HIS 127 12.716 30.195 -19.836 939 HB3 HIS 127 HB1 HIS 127 13.045 31.875 -19.432 940 HD1 HIS 127 HD1 HIS 127 11.270 28.815 -18.199 941 HD2 HIS 127 HD2 HIS 127 12.021 32.710 -16.937 942 HE1 HIS 127 HE1 HIS 127 10.566 28.897 -15.785 943 HE2 HIS 127 HE2 HIS 127 10.942 31.274 -15.074 944 H HIS 128 HN HIS 128 12.186 33.874 -20.163 945 HA HIS 128 HA HIS 128 11.623 35.970 -19.627 946 HB2 HIS 128 HB2 HIS 128 10.016 35.842 -21.471 947 HB3 HIS 128 HB1 HIS 128 8.810 35.111 -20.420 948 HD1 HIS 128 HD1 HIS 128 7.175 36.699 -19.425 949 HD2 HIS 128 HD2 HIS 128 10.668 38.622 -20.612 950 HE1 HIS 128 HE1 HIS 128 6.750 39.151 -19.058 951 HE2 HIS 128 HE2 HIS 128 8.926 40.273 -19.633 952 H HIS 129 HN HIS 129 11.676 36.788 -17.625 953 HA HIS 129 HA HIS 129 10.423 35.462 -15.375 954 HB2 HIS 129 HB2 HIS 129 12.029 38.048 -15.508 955 HB3 HIS 129 HB1 HIS 129 11.475 37.295 -14.017 956 HD1 HIS 129 HD1 HIS 129 12.927 35.512 -13.027 957 HD2 HIS 129 HD2 HIS 129 14.060 36.513 -16.898 958 HE1 HIS 129 HE1 HIS 129 15.109 34.327 -13.416 959 HE2 HIS 129 HE2 HIS 129 15.807 34.988 -15.745 960 H HIS 130 HN HIS 130 8.981 36.459 -13.895 961 HA HIS 130 HA HIS 130 7.407 38.785 -14.797 962 HB2 HIS 130 HB2 HIS 130 5.299 37.637 -14.185 963 HB3 HIS 130 HB1 HIS 130 6.131 36.773 -15.474 964 HD1 HIS 130 HD1 HIS 130 5.094 36.464 -11.892 965 HD2 HIS 130 HD2 HIS 130 7.050 34.197 -14.775 966 HE1 HIS 130 HE1 HIS 130 5.253 34.151 -10.933 967 HE2 HIS 130 HE2 HIS 130 6.260 32.764 -12.774 968 H HIS 131 HN HIS 131 5.900 39.449 -12.921 969 HA HIS 131 HA HIS 131 5.632 40.385 -10.907 970 HB2 HIS 131 HB2 HIS 131 5.551 38.063 -10.038 971 HB3 HIS 131 HB1 HIS 131 7.299 38.073 -9.829 972 HD1 HIS 131 HD1 HIS 131 4.124 39.338 -8.293 973 HD2 HIS 131 HD2 HIS 131 8.206 39.461 -7.538 974 HE1 HIS 131 HE1 HIS 131 4.349 40.220 -5.951 975 HE2 HIS 131 HE2 HIS 131 6.821 40.123 -5.463 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 -2.699 0.113 -1.234 2 H2 MET 1 HT2 MET 1 -2.281 0.842 0.229 3 H3 MET 1 HT3 MET 1 -1.727 -0.712 -0.126 4 HA MET 1 HA MET 1 0.033 0.891 -0.404 5 HB2 MET 1 HB2 MET 1 -0.982 -0.199 -3.067 6 HB3 MET 1 HB1 MET 1 0.667 0.320 -2.745 7 HG2 MET 1 HG2 MET 1 0.964 -1.500 -1.150 8 HG3 MET 1 HG1 MET 1 -0.712 -2.004 -1.370 9 HE1 MET 1 HE1 MET 1 -0.990 -1.599 -4.621 10 HE2 MET 1 HE2 MET 1 -1.651 -2.972 -3.732 11 HE3 MET 1 HE3 MET 1 -0.624 -3.245 -5.140 12 H GLN 2 HN GLN 2 0.919 2.596 -1.878 13 HA GLN 2 HA GLN 2 -1.101 4.402 -3.066 14 HB2 GLN 2 HB2 GLN 2 1.236 5.307 -1.309 15 HB3 GLN 2 HB1 GLN 2 0.129 6.371 -2.172 16 HG2 GLN 2 HG2 GLN 2 -1.732 5.596 -0.761 17 HG3 GLN 2 HG1 GLN 2 -0.647 4.501 0.089 18 HE21 GLN 2 HE21 GLN 2 1.577 6.402 0.219 19 HE22 GLN 2 HE22 GLN 2 1.117 7.600 1.374 20 H LEU 3 HN LEU 3 -0.573 4.366 -5.204 21 HA LEU 3 HA LEU 3 2.156 3.966 -6.117 22 HB2 LEU 3 HB2 LEU 3 -0.098 3.191 -7.275 23 HB3 LEU 3 HB1 LEU 3 -0.132 4.810 -7.931 24 HG LEU 3 HG LEU 3 0.768 3.227 -9.567 25 HD11 LEU 3 HD11 LEU 3 1.651 5.501 -9.657 26 HD12 LEU 3 HD12 LEU 3 2.835 4.320 -10.210 27 HD13 LEU 3 HD13 LEU 3 2.989 5.038 -8.602 28 HD21 LEU 3 HD21 LEU 3 1.648 1.536 -8.032 29 HD22 LEU 3 HD22 LEU 3 2.972 2.612 -7.578 30 HD23 LEU 3 HD23 LEU 3 2.852 2.002 -9.232 31 H GLN 4 HN GLN 4 3.556 5.600 -6.040 32 HA GLN 4 HA GLN 4 2.625 8.405 -6.105 33 HB2 GLN 4 HB2 GLN 4 5.323 7.346 -5.157 34 HB3 GLN 4 HB1 GLN 4 4.672 8.967 -4.913 35 HG2 GLN 4 HG2 GLN 4 2.899 7.992 -3.453 36 HG3 GLN 4 HG1 GLN 4 3.623 6.397 -3.686 37 HE21 GLN 4 HE21 GLN 4 3.981 9.516 -2.127 38 HE22 GLN 4 HE22 GLN 4 5.253 9.048 -1.055 39 H LEU 5 HN LEU 5 2.925 9.450 -7.978 40 HA LEU 5 HA LEU 5 5.332 8.911 -9.633 41 HB2 LEU 5 HB2 LEU 5 2.564 9.843 -10.511 42 HB3 LEU 5 HB1 LEU 5 3.968 9.821 -11.564 43 HG LEU 5 HG LEU 5 2.692 7.362 -10.299 44 HD11 LEU 5 HD11 LEU 5 2.560 8.324 -13.175 45 HD12 LEU 5 HD12 LEU 5 1.237 8.338 -12.004 46 HD13 LEU 5 HD13 LEU 5 1.907 6.804 -12.550 47 HD21 LEU 5 HD21 LEU 5 4.178 6.058 -11.779 48 HD22 LEU 5 HD22 LEU 5 5.096 7.033 -10.637 49 HD23 LEU 5 HD23 LEU 5 4.958 7.548 -12.321 50 H VAL 6 HN VAL 6 6.731 10.472 -9.093 51 HA VAL 6 HA VAL 6 5.839 13.225 -8.504 52 HB VAL 6 HB VAL 6 8.569 11.909 -8.058 53 HG11 VAL 6 HG11 VAL 6 7.583 14.654 -7.177 54 HG12 VAL 6 HG12 VAL 6 8.808 14.338 -8.407 55 HG13 VAL 6 HG13 VAL 6 9.127 13.930 -6.721 56 HG21 VAL 6 HG21 VAL 6 7.984 11.942 -5.641 57 HG22 VAL 6 HG22 VAL 6 6.862 10.944 -6.568 58 HG23 VAL 6 HG23 VAL 6 6.378 12.559 -6.043 59 H GLU 7 HN GLU 7 5.646 14.302 -10.378 60 HA GLU 7 HA GLU 7 7.445 13.774 -12.630 61 HB2 GLU 7 HB2 GLU 7 4.879 15.404 -12.497 62 HB3 GLU 7 HB1 GLU 7 5.789 15.010 -13.961 63 HG2 GLU 7 HG2 GLU 7 5.353 12.626 -13.626 64 HG3 GLU 7 HG1 GLU 7 4.499 12.972 -12.118 65 H SER 8 HN SER 8 8.520 15.421 -13.718 66 HA SER 8 HA SER 8 8.904 18.051 -12.609 67 HB2 SER 8 HB2 SER 8 11.337 17.625 -12.009 68 HB3 SER 8 HB1 SER 8 10.197 16.792 -10.950 69 HG SER 8 HG SER 8 10.513 14.945 -12.428 70 H GLY 9 HN GLY 9 11.047 18.970 -13.706 71 HA2 GLY 9 HA2 GLY 9 12.316 19.333 -15.618 72 HA3 GLY 9 HA1 GLY 9 11.562 17.946 -16.390 73 H GLY 10 HN GLY 10 9.083 19.755 -15.125 74 HA2 GLY 10 HA2 GLY 10 8.195 20.706 -17.692 75 HA3 GLY 10 HA1 GLY 10 7.372 20.909 -16.153 76 H GLY 11 HN GLY 11 8.008 22.789 -18.445 77 HA2 GLY 11 HA2 GLY 11 8.369 25.169 -16.977 78 HA3 GLY 11 HA1 GLY 11 9.915 24.712 -17.693 79 H LEU 12 HN LEU 12 9.512 26.851 -18.727 80 HA LEU 12 HA LEU 12 7.686 26.756 -21.023 81 HB2 LEU 12 HB2 LEU 12 7.531 28.696 -19.480 82 HB3 LEU 12 HB1 LEU 12 9.190 29.102 -19.835 83 HG LEU 12 HG LEU 12 7.359 29.014 -22.203 84 HD11 LEU 12 HD11 LEU 12 7.176 31.280 -20.193 85 HD12 LEU 12 HD12 LEU 12 5.903 30.119 -20.576 86 HD13 LEU 12 HD13 LEU 12 6.449 31.257 -21.805 87 HD21 LEU 12 HD21 LEU 12 9.520 30.972 -21.352 88 HD22 LEU 12 HD22 LEU 12 8.659 30.992 -22.893 89 HD23 LEU 12 HD23 LEU 12 9.712 29.636 -22.491 90 H VAL 13 HN VAL 13 8.442 26.511 -23.046 91 HA VAL 13 HA VAL 13 11.289 27.032 -23.677 92 HB VAL 13 HB VAL 13 11.363 25.014 -25.162 93 HG11 VAL 13 HG11 VAL 13 10.810 24.329 -22.252 94 HG12 VAL 13 HG12 VAL 13 12.354 24.871 -22.913 95 HG13 VAL 13 HG13 VAL 13 11.685 23.312 -23.402 96 HG21 VAL 13 HG21 VAL 13 8.719 24.233 -23.866 97 HG22 VAL 13 HG22 VAL 13 9.677 23.204 -24.932 98 HG23 VAL 13 HG23 VAL 13 8.950 24.684 -25.559 99 H GLN 14 HN GLN 14 11.641 27.759 -25.798 100 HA GLN 14 HA GLN 14 9.485 29.016 -27.171 101 HB2 GLN 14 HB2 GLN 14 11.091 29.861 -28.711 102 HB3 GLN 14 HB1 GLN 14 11.927 29.807 -27.170 103 HG2 GLN 14 HG2 GLN 14 12.258 27.842 -29.456 104 HG3 GLN 14 HG1 GLN 14 13.376 29.131 -29.033 105 HE21 GLN 14 HE21 GLN 14 13.913 26.289 -29.276 106 HE22 GLN 14 HE22 GLN 14 14.532 25.793 -27.741 107 H ALA 15 HN ALA 15 8.527 28.494 -29.163 108 HA ALA 15 HA ALA 15 8.034 25.779 -29.732 109 HB1 ALA 15 HB1 ALA 15 6.722 26.610 -31.643 110 HB2 ALA 15 HB2 ALA 15 7.416 28.218 -31.421 111 HB3 ALA 15 HB3 ALA 15 6.386 27.525 -30.171 112 H GLY 16 HN GLY 16 8.787 24.428 -31.318 113 HA2 GLY 16 HA2 GLY 16 10.260 23.587 -32.899 114 HA3 GLY 16 HA1 GLY 16 11.023 25.166 -33.032 115 H GLY 17 HN GLY 17 10.637 24.369 -29.791 116 HA2 GLY 17 HA2 GLY 17 13.465 23.551 -29.510 117 HA3 GLY 17 HA1 GLY 17 12.464 24.299 -28.276 118 H SER 18 HN SER 18 13.511 22.457 -27.063 119 HA SER 18 HA SER 18 11.832 20.028 -27.178 120 HB2 SER 18 HB2 SER 18 13.851 18.692 -26.546 121 HB3 SER 18 HB1 SER 18 14.031 19.468 -28.119 122 HG SER 18 HG SER 18 15.120 20.369 -25.648 123 H LEU 19 HN LEU 19 11.472 19.000 -25.177 124 HA LEU 19 HA LEU 19 12.473 20.150 -22.696 125 HB2 LEU 19 HB2 LEU 19 10.379 21.449 -23.266 126 HB3 LEU 19 HB1 LEU 19 9.479 19.944 -23.228 127 HG LEU 19 HG LEU 19 9.975 19.687 -20.814 128 HD11 LEU 19 HD11 LEU 19 12.142 20.796 -20.693 129 HD12 LEU 19 HD12 LEU 19 11.024 21.511 -19.536 130 HD13 LEU 19 HD13 LEU 19 11.395 22.359 -21.040 131 HD21 LEU 19 HD21 LEU 19 8.774 22.395 -21.482 132 HD22 LEU 19 HD22 LEU 19 8.553 21.503 -19.974 133 HD23 LEU 19 HD23 LEU 19 7.918 20.849 -21.482 134 H ARG 20 HN ARG 20 12.943 18.515 -21.371 135 HA ARG 20 HA ARG 20 11.904 15.811 -21.966 136 HB2 ARG 20 HB2 ARG 20 14.331 16.107 -22.314 137 HB3 ARG 20 HB1 ARG 20 14.521 16.633 -20.643 138 HG2 ARG 20 HG2 ARG 20 13.839 14.408 -19.843 139 HG3 ARG 20 HG1 ARG 20 13.551 13.885 -21.505 140 HD2 ARG 20 HD2 ARG 20 15.931 14.132 -22.032 141 HD3 ARG 20 HD1 ARG 20 16.247 14.762 -20.414 142 HE ARG 20 HE ARG 20 15.981 12.626 -19.511 143 HH11 ARG 20 HH11 ARG 20 15.506 12.527 -23.005 144 HH12 ARG 20 HH12 ARG 20 15.690 10.805 -23.096 145 HH21 ARG 20 HH21 ARG 20 16.234 10.388 -19.650 146 HH22 ARG 20 HH22 ARG 20 16.117 9.589 -21.186 147 H LEU 21 HN LEU 21 10.320 15.327 -20.627 148 HA LEU 21 HA LEU 21 10.176 16.247 -17.871 149 HB2 LEU 21 HB2 LEU 21 8.287 14.506 -19.523 150 HB3 LEU 21 HB1 LEU 21 7.972 15.023 -17.880 151 HG LEU 21 HG LEU 21 6.665 16.430 -19.296 152 HD11 LEU 21 HD11 LEU 21 7.484 18.671 -18.855 153 HD12 LEU 21 HD12 LEU 21 9.095 18.041 -18.507 154 HD13 LEU 21 HD13 LEU 21 7.735 17.620 -17.463 155 HD21 LEU 21 HD21 LEU 21 7.521 17.736 -21.176 156 HD22 LEU 21 HD22 LEU 21 7.770 16.010 -21.433 157 HD23 LEU 21 HD23 LEU 21 9.128 17.032 -20.955 158 H SER 22 HN SER 22 9.958 14.787 -16.090 159 HA SER 22 HA SER 22 10.858 12.009 -16.419 160 HB2 SER 22 HB2 SER 22 12.203 13.876 -14.416 161 HB3 SER 22 HB1 SER 22 12.655 12.219 -14.829 162 HG SER 22 HG SER 22 12.811 13.358 -17.082 163 H CYS 23 HN CYS 23 9.785 10.691 -15.060 164 HA CYS 23 HA CYS 23 8.191 11.801 -12.827 165 HB2 CYS 23 HB2 CYS 23 6.715 11.293 -14.735 166 HB3 CYS 23 HB1 CYS 23 7.362 9.657 -14.834 167 HG CYS 23 HG CYS 23 5.166 8.953 -13.625 168 H VAL 24 HN VAL 24 9.237 11.060 -11.069 169 HA VAL 24 HA VAL 24 10.683 8.548 -11.034 170 HB VAL 24 HB VAL 24 10.213 10.534 -8.767 171 HG11 VAL 24 HG11 VAL 24 10.898 8.325 -7.924 172 HG12 VAL 24 HG12 VAL 24 12.206 9.488 -7.709 173 HG13 VAL 24 HG13 VAL 24 12.282 8.311 -9.022 174 HG21 VAL 24 HG21 VAL 24 11.349 11.647 -10.653 175 HG22 VAL 24 HG22 VAL 24 12.569 10.371 -10.694 176 HG23 VAL 24 HG23 VAL 24 12.460 11.442 -9.295 177 H ALA 25 HN ALA 25 9.866 6.663 -10.318 178 HA ALA 25 HA ALA 25 7.076 6.588 -9.481 179 HB1 ALA 25 HB1 ALA 25 7.773 5.213 -11.391 180 HB2 ALA 25 HB2 ALA 25 7.209 4.196 -10.064 181 HB3 ALA 25 HB3 ALA 25 8.940 4.360 -10.380 182 H SER 26 HN SER 26 7.140 7.134 -7.350 183 HA SER 26 HA SER 26 7.088 6.808 -5.127 184 HB2 SER 26 HB2 SER 26 5.861 4.787 -5.933 185 HB3 SER 26 HB1 SER 26 7.367 3.867 -5.880 186 HG SER 26 HG SER 26 7.436 4.441 -3.599 187 H GLY 27 HN GLY 27 9.645 7.431 -6.207 188 HA2 GLY 27 HA2 GLY 27 11.810 7.730 -5.489 189 HA3 GLY 27 HA1 GLY 27 11.433 6.798 -4.044 190 H ARG 28 HN ARG 28 11.627 4.510 -4.108 191 HA ARG 28 HA ARG 28 13.187 3.379 -6.371 192 HB2 ARG 28 HB2 ARG 28 13.629 2.829 -3.396 193 HB3 ARG 28 HB1 ARG 28 14.518 2.077 -4.717 194 HG2 ARG 28 HG2 ARG 28 14.580 5.021 -3.978 195 HG3 ARG 28 HG1 ARG 28 15.829 3.833 -3.601 196 HD2 ARG 28 HD2 ARG 28 16.214 3.498 -6.032 197 HD3 ARG 28 HD1 ARG 28 14.990 4.728 -6.382 198 HE ARG 28 HE ARG 28 16.932 5.813 -4.650 199 HH11 ARG 28 HH11 ARG 28 16.646 4.786 -7.995 200 HH12 ARG 28 HH12 ARG 28 17.824 5.922 -8.565 201 HH21 ARG 28 HH21 ARG 28 18.496 7.280 -5.424 202 HH22 ARG 28 HH22 ARG 28 18.860 7.331 -7.120 203 H THR 29 HN THR 29 10.308 3.172 -4.729 204 HA THR 29 HA THR 29 10.025 0.296 -4.532 205 HB THR 29 HB THR 29 7.941 2.518 -4.433 206 HG1 THR 29 HG1 THR 29 9.751 1.707 -2.653 207 HG21 THR 29 HG21 THR 29 7.608 -0.417 -3.682 208 HG22 THR 29 HG22 THR 29 6.858 0.382 -5.064 209 HG23 THR 29 HG23 THR 29 6.412 0.861 -3.429 210 H PHE 30 HN PHE 30 9.380 -1.059 -6.095 211 HA PHE 30 HA PHE 30 9.012 0.034 -8.811 212 HB2 PHE 30 HB2 PHE 30 9.967 -2.165 -9.577 213 HB3 PHE 30 HB1 PHE 30 11.077 -1.233 -8.589 214 HD1 PHE 30 HD1 PHE 30 11.537 -1.949 -6.208 215 HD2 PHE 30 HD2 PHE 30 9.249 -4.375 -8.886 216 HE1 PHE 30 HE1 PHE 30 11.857 -3.888 -4.738 217 HE2 PHE 30 HE2 PHE 30 9.563 -6.305 -7.402 218 HZ PHE 30 HZ PHE 30 10.867 -6.066 -5.326 219 H ARG 31 HN ARG 31 7.132 -0.312 -9.801 220 HA ARG 31 HA ARG 31 5.458 -2.596 -9.494 221 HB2 ARG 31 HB2 ARG 31 4.899 -0.221 -7.778 222 HB3 ARG 31 HB1 ARG 31 3.499 -0.739 -8.710 223 HG2 ARG 31 HG2 ARG 31 3.628 -2.971 -7.758 224 HG3 ARG 31 HG1 ARG 31 5.116 -2.562 -6.903 225 HD2 ARG 31 HD2 ARG 31 3.910 -0.941 -5.517 226 HD3 ARG 31 HD1 ARG 31 2.421 -1.248 -6.417 227 HE ARG 31 HE ARG 31 2.201 -3.314 -5.380 228 HH11 ARG 31 HH11 ARG 31 5.143 -1.759 -4.236 229 HH12 ARG 31 HH12 ARG 31 5.374 -2.891 -2.949 230 HH21 ARG 31 HH21 ARG 31 2.533 -4.790 -3.732 231 HH22 ARG 31 HH22 ARG 31 3.889 -4.621 -2.668 232 H SER 32 HN SER 32 3.270 -2.141 -10.559 233 HA SER 32 HA SER 32 1.972 -1.610 -12.279 234 HB2 SER 32 HB2 SER 32 2.245 0.733 -11.395 235 HB3 SER 32 HB1 SER 32 3.565 0.979 -12.534 236 HG SER 32 HG SER 32 1.268 0.022 -13.685 237 H ASN 33 HN ASN 33 2.269 -3.022 -13.881 238 HA ASN 33 HA ASN 33 4.673 -3.606 -15.194 239 HB2 ASN 33 HB2 ASN 33 3.269 -4.946 -16.776 240 HB3 ASN 33 HB1 ASN 33 2.915 -5.263 -15.083 241 HD21 ASN 33 HD21 ASN 33 1.724 -3.658 -17.980 242 HD22 ASN 33 HD22 ASN 33 0.088 -3.512 -17.454 243 H ALA 34 HN ALA 34 2.192 -1.290 -16.006 244 HA ALA 34 HA ALA 34 3.818 -0.345 -18.296 245 HB1 ALA 34 HB1 ALA 34 1.739 0.367 -19.416 246 HB2 ALA 34 HB2 ALA 34 0.783 -0.301 -18.086 247 HB3 ALA 34 HB3 ALA 34 1.729 -1.374 -19.118 248 H MET 35 HN MET 35 4.008 1.901 -18.463 249 HA MET 35 HA MET 35 2.520 3.681 -16.703 250 HB2 MET 35 HB2 MET 35 5.564 3.489 -16.693 251 HB3 MET 35 HB1 MET 35 4.745 4.985 -16.264 252 HG2 MET 35 HG2 MET 35 3.602 3.848 -14.413 253 HG3 MET 35 HG1 MET 35 4.390 2.332 -14.858 254 HE1 MET 35 HE1 MET 35 6.125 3.285 -11.482 255 HE2 MET 35 HE2 MET 35 5.192 2.066 -12.349 256 HE3 MET 35 HE3 MET 35 4.446 3.606 -11.914 257 H GLY 36 HN GLY 36 1.793 5.326 -17.886 258 HA2 GLY 36 HA2 GLY 36 2.930 5.742 -20.605 259 HA3 GLY 36 HA1 GLY 36 1.209 5.731 -20.248 260 H TRP 37 HN TRP 37 1.692 7.793 -21.533 261 HA TRP 37 HA TRP 37 1.787 10.033 -19.620 262 HB2 TRP 37 HB2 TRP 37 3.108 9.973 -22.380 263 HB3 TRP 37 HB1 TRP 37 2.877 11.437 -21.429 264 HD1 TRP 37 HD1 TRP 37 5.172 8.413 -21.726 265 HE1 TRP 37 HE1 TRP 37 7.136 8.683 -20.096 266 HE3 TRP 37 HE3 TRP 37 3.474 12.441 -19.041 267 HZ2 TRP 37 HZ2 TRP 37 7.875 10.353 -17.943 268 HZ3 TRP 37 HZ3 TRP 37 4.878 13.313 -17.208 269 HH2 TRP 37 HH2 TRP 37 7.036 12.287 -16.671 270 H PHE 38 HN PHE 38 0.330 11.593 -19.990 271 HA PHE 38 HA PHE 38 -1.469 11.582 -22.314 272 HB2 PHE 38 HB2 PHE 38 -2.330 11.717 -19.379 273 HB3 PHE 38 HB1 PHE 38 -3.379 12.171 -20.710 274 HD1 PHE 38 HD1 PHE 38 -1.485 9.258 -19.295 275 HD2 PHE 38 HD2 PHE 38 -4.746 10.539 -21.749 276 HE1 PHE 38 HE1 PHE 38 -2.307 6.946 -19.426 277 HE2 PHE 38 HE2 PHE 38 -5.553 8.223 -21.875 278 HZ PHE 38 HZ PHE 38 -4.337 6.423 -20.715 279 H ARG 39 HN ARG 39 -2.710 13.765 -22.312 280 HA ARG 39 HA ARG 39 -1.339 15.914 -20.836 281 HB2 ARG 39 HB2 ARG 39 -1.243 17.383 -22.805 282 HB3 ARG 39 HB1 ARG 39 -0.261 15.943 -23.023 283 HG2 ARG 39 HG2 ARG 39 -1.922 14.983 -24.543 284 HG3 ARG 39 HG1 ARG 39 -3.011 16.345 -24.254 285 HD2 ARG 39 HD2 ARG 39 -1.367 17.885 -25.242 286 HD3 ARG 39 HD1 ARG 39 -0.255 16.541 -25.492 287 HE ARG 39 HE ARG 39 -2.777 16.126 -26.793 288 HH11 ARG 39 HH11 ARG 39 0.370 17.674 -27.165 289 HH12 ARG 39 HH12 ARG 39 0.213 17.838 -28.879 290 HH21 ARG 39 HH21 ARG 39 -2.956 16.335 -29.042 291 HH22 ARG 39 HH22 ARG 39 -1.675 17.077 -29.948 292 H GLN 40 HN GLN 40 -2.717 17.171 -19.882 293 HA GLN 40 HA GLN 40 -5.593 17.046 -20.490 294 HB2 GLN 40 HB2 GLN 40 -4.957 16.352 -18.211 295 HB3 GLN 40 HB1 GLN 40 -4.116 17.874 -17.954 296 HG2 GLN 40 HG2 GLN 40 -6.209 17.987 -16.800 297 HG3 GLN 40 HG1 GLN 40 -6.306 19.063 -18.194 298 HE21 GLN 40 HE21 GLN 40 -8.485 19.040 -18.486 299 HE22 GLN 40 HE22 GLN 40 -9.403 17.635 -18.881 300 H ALA 41 HN ALA 41 -6.653 18.819 -21.118 301 HA ALA 41 HA ALA 41 -5.389 21.490 -20.968 302 HB1 ALA 41 HB1 ALA 41 -6.554 22.059 -23.079 303 HB2 ALA 41 HB2 ALA 41 -7.188 20.413 -23.173 304 HB3 ALA 41 HB3 ALA 41 -5.452 20.697 -23.299 305 HA PRO 42 HA PRO 42 -9.043 22.477 -18.511 306 HB2 PRO 42 HB2 PRO 42 -8.588 25.343 -19.239 307 HB3 PRO 42 HB1 PRO 42 -8.561 24.568 -17.650 308 HG2 PRO 42 HG2 PRO 42 -6.286 25.392 -18.826 309 HG3 PRO 42 HG1 PRO 42 -6.336 23.910 -17.847 310 HD2 PRO 42 HD2 PRO 42 -6.377 24.186 -20.859 311 HD3 PRO 42 HD1 PRO 42 -5.451 23.060 -19.837 312 H GLY 43 HN GLY 43 -11.070 22.117 -19.240 313 HA2 GLY 43 HA2 GLY 43 -13.073 22.684 -20.382 314 HA3 GLY 43 HA1 GLY 43 -12.158 23.623 -21.551 315 H LYS 44 HN LYS 44 -10.525 20.788 -21.083 316 HA LYS 44 HA LYS 44 -11.959 19.201 -23.111 317 HB2 LYS 44 HB2 LYS 44 -9.091 20.186 -23.260 318 HB3 LYS 44 HB1 LYS 44 -9.541 18.684 -24.050 319 HG2 LYS 44 HG2 LYS 44 -11.067 21.223 -24.677 320 HG3 LYS 44 HG1 LYS 44 -9.495 20.929 -25.416 321 HD2 LYS 44 HD2 LYS 44 -11.104 20.141 -26.992 322 HD3 LYS 44 HD1 LYS 44 -10.416 18.702 -26.249 323 HE2 LYS 44 HE2 LYS 44 -12.472 18.682 -24.720 324 HE3 LYS 44 HE1 LYS 44 -13.163 19.910 -25.781 325 HZ1 LYS 44 HZ1 LYS 44 -12.344 17.152 -26.512 326 HZ2 LYS 44 HZ2 LYS 44 -12.866 18.317 -27.628 327 HZ3 LYS 44 HZ3 LYS 44 -13.920 17.762 -26.431 328 H GLU 45 HN GLU 45 -10.823 17.013 -23.317 329 HA GLU 45 HA GLU 45 -10.382 15.882 -20.633 330 HB2 GLU 45 HB2 GLU 45 -10.851 13.686 -21.658 331 HB3 GLU 45 HB1 GLU 45 -12.161 14.810 -21.972 332 HG2 GLU 45 HG2 GLU 45 -10.002 14.131 -23.999 333 HG3 GLU 45 HG1 GLU 45 -11.544 13.286 -23.891 334 H ARG 46 HN ARG 46 -8.617 14.341 -20.295 335 HA ARG 46 HA ARG 46 -6.178 15.149 -21.512 336 HB2 ARG 46 HB2 ARG 46 -4.986 13.591 -20.127 337 HB3 ARG 46 HB1 ARG 46 -6.206 14.388 -19.159 338 HG2 ARG 46 HG2 ARG 46 -6.427 11.559 -20.225 339 HG3 ARG 46 HG1 ARG 46 -5.853 11.989 -18.616 340 HD2 ARG 46 HD2 ARG 46 -8.188 13.182 -18.401 341 HD3 ARG 46 HD1 ARG 46 -8.646 12.126 -19.746 342 HE ARG 46 HE ARG 46 -7.437 10.974 -17.313 343 HH11 ARG 46 HH11 ARG 46 -10.258 11.199 -19.389 344 HH12 ARG 46 HH12 ARG 46 -11.123 9.982 -18.513 345 HH21 ARG 46 HH21 ARG 46 -8.589 9.413 -16.195 346 HH22 ARG 46 HH22 ARG 46 -10.181 8.968 -16.717 347 H GLU 47 HN GLU 47 -5.161 14.436 -23.181 348 HA GLU 47 HA GLU 47 -6.336 12.387 -24.897 349 HB2 GLU 47 HB2 GLU 47 -5.829 14.685 -25.757 350 HB3 GLU 47 HB1 GLU 47 -4.131 14.439 -25.375 351 HG2 GLU 47 HG2 GLU 47 -4.172 12.493 -27.017 352 HG3 GLU 47 HG1 GLU 47 -5.774 13.049 -27.504 353 H PHE 48 HN PHE 48 -5.254 10.524 -25.452 354 HA PHE 48 HA PHE 48 -3.124 9.552 -23.814 355 HB2 PHE 48 HB2 PHE 48 -4.906 8.088 -24.752 356 HB3 PHE 48 HB1 PHE 48 -4.310 8.392 -26.378 357 HD1 PHE 48 HD1 PHE 48 -2.276 7.271 -27.195 358 HD2 PHE 48 HD2 PHE 48 -3.637 6.638 -23.192 359 HE1 PHE 48 HE1 PHE 48 -0.775 5.341 -26.983 360 HE2 PHE 48 HE2 PHE 48 -2.132 4.708 -22.990 361 HZ PHE 48 HZ PHE 48 -0.699 4.059 -24.886 362 H VAL 49 HN VAL 49 -1.070 10.152 -24.042 363 HA VAL 49 HA VAL 49 0.013 11.057 -26.618 364 HB VAL 49 HB VAL 49 1.193 11.196 -23.803 365 HG11 VAL 49 HG11 VAL 49 2.377 12.343 -26.371 366 HG12 VAL 49 HG12 VAL 49 3.046 11.007 -25.431 367 HG13 VAL 49 HG13 VAL 49 2.990 12.628 -24.740 368 HG21 VAL 49 HG21 VAL 49 0.800 13.628 -23.990 369 HG22 VAL 49 HG22 VAL 49 -0.707 12.725 -24.153 370 HG23 VAL 49 HG23 VAL 49 0.078 13.396 -25.585 371 H ALA 50 HN ALA 50 0.747 8.668 -24.037 372 HA ALA 50 HA ALA 50 2.208 6.958 -25.871 373 HB1 ALA 50 HB1 ALA 50 3.694 8.390 -23.640 374 HB2 ALA 50 HB2 ALA 50 3.873 8.705 -25.367 375 HB3 ALA 50 HB3 ALA 50 4.364 7.146 -24.702 376 H ALA 51 HN ALA 51 3.165 5.057 -24.764 377 HA ALA 51 HA ALA 51 2.582 4.510 -21.998 378 HB1 ALA 51 HB1 ALA 51 1.279 2.457 -22.344 379 HB2 ALA 51 HB2 ALA 51 1.266 2.738 -24.088 380 HB3 ALA 51 HB3 ALA 51 0.429 3.853 -23.008 381 H ILE 52 HN ILE 52 4.141 3.296 -21.162 382 HA ILE 52 HA ILE 52 5.907 1.675 -22.896 383 HB ILE 52 HB ILE 52 6.665 2.962 -20.221 384 HG12 ILE 52 HG12 ILE 52 8.371 4.267 -21.742 385 HG13 ILE 52 HG11 ILE 52 7.278 3.870 -23.060 386 HG21 ILE 52 HG21 ILE 52 8.354 1.371 -22.180 387 HG22 ILE 52 HG22 ILE 52 7.824 0.842 -20.583 388 HG23 ILE 52 HG23 ILE 52 8.963 2.178 -20.737 389 HD11 ILE 52 HD11 ILE 52 6.935 6.118 -22.170 390 HD12 ILE 52 HD12 ILE 52 6.551 5.442 -20.589 391 HD13 ILE 52 HD13 ILE 52 5.498 5.118 -21.970 392 H ARG 53 HN ARG 53 5.505 -0.449 -22.582 393 HA ARG 53 HA ARG 53 4.687 -1.397 -19.898 394 HB2 ARG 53 HB2 ARG 53 2.959 -1.561 -21.832 395 HB3 ARG 53 HB1 ARG 53 3.987 -2.824 -22.501 396 HG2 ARG 53 HG2 ARG 53 3.663 -4.183 -20.468 397 HG3 ARG 53 HG1 ARG 53 2.707 -2.889 -19.741 398 HD2 ARG 53 HD2 ARG 53 1.134 -3.158 -21.786 399 HD3 ARG 53 HD1 ARG 53 1.980 -4.684 -22.073 400 HE ARG 53 HE ARG 53 0.391 -4.005 -19.669 401 HH11 ARG 53 HH11 ARG 53 1.738 -6.502 -21.754 402 HH12 ARG 53 HH12 ARG 53 0.917 -7.779 -20.922 403 HH21 ARG 53 HH21 ARG 53 -0.690 -5.685 -18.638 404 HH22 ARG 53 HH22 ARG 53 -0.448 -7.320 -19.170 405 H TRP 54 HN TRP 54 5.684 -3.249 -19.088 406 HA TRP 54 HA TRP 54 8.378 -3.746 -19.829 407 HB2 TRP 54 HB2 TRP 54 6.538 -5.348 -18.002 408 HB3 TRP 54 HB1 TRP 54 8.273 -5.606 -18.134 409 HD1 TRP 54 HD1 TRP 54 8.553 -2.128 -18.150 410 HE1 TRP 54 HE1 TRP 54 8.632 -1.073 -15.812 411 HE3 TRP 54 HE3 TRP 54 6.636 -6.021 -15.414 412 HZ2 TRP 54 HZ2 TRP 54 7.979 -1.770 -13.166 413 HZ3 TRP 54 HZ3 TRP 54 6.397 -5.738 -12.976 414 HH2 TRP 54 HH2 TRP 54 7.056 -3.653 -11.875 415 H SER 55 HN SER 55 5.454 -5.005 -21.076 416 HA SER 55 HA SER 55 6.369 -7.560 -22.023 417 HB2 SER 55 HB2 SER 55 4.052 -5.876 -23.070 418 HB3 SER 55 HB1 SER 55 4.243 -7.634 -23.180 419 HG SER 55 HG SER 55 4.117 -7.678 -20.866 420 H GLY 56 HN GLY 56 7.287 -4.481 -22.953 421 HA2 GLY 56 HA2 GLY 56 9.034 -4.281 -24.608 422 HA3 GLY 56 HA1 GLY 56 8.168 -5.418 -25.630 423 H GLY 57 HN GLY 57 5.629 -3.846 -24.706 424 HA2 GLY 57 HA2 GLY 57 5.459 -2.071 -26.971 425 HA3 GLY 57 HA1 GLY 57 4.230 -2.323 -25.742 426 H SER 58 HN SER 58 7.305 -0.690 -26.366 427 HA SER 58 HA SER 58 6.918 1.114 -24.052 428 HB2 SER 58 HB2 SER 58 9.455 0.291 -25.529 429 HB3 SER 58 HB1 SER 58 9.386 1.345 -24.111 430 HG SER 58 HG SER 58 8.325 -1.281 -24.110 431 H THR 59 HN THR 59 5.581 1.646 -26.579 432 HA THR 59 HA THR 59 6.663 4.207 -27.355 433 HB THR 59 HB THR 59 6.830 1.905 -29.361 434 HG1 THR 59 HG1 THR 59 8.700 3.350 -27.878 435 HG21 THR 59 HG21 THR 59 7.284 4.872 -29.856 436 HG22 THR 59 HG22 THR 59 5.983 3.894 -30.541 437 HG23 THR 59 HG23 THR 59 7.656 3.577 -31.001 438 H TYR 60 HN TYR 60 4.937 5.402 -27.604 439 HA TYR 60 HA TYR 60 2.890 4.849 -29.566 440 HB2 TYR 60 HB2 TYR 60 2.169 5.249 -26.625 441 HB3 TYR 60 HB1 TYR 60 1.032 5.606 -27.914 442 HD1 TYR 60 HD1 TYR 60 0.214 3.701 -29.398 443 HD2 TYR 60 HD2 TYR 60 2.461 2.985 -25.829 444 HE1 TYR 60 HE1 TYR 60 -0.563 1.370 -29.373 445 HE2 TYR 60 HE2 TYR 60 1.681 0.652 -25.811 446 HH TYR 60 HH TYR 60 0.170 -0.816 -28.475 447 H TYR 61 HN TYR 61 2.402 6.740 -30.580 448 HA TYR 61 HA TYR 61 2.242 9.284 -29.303 449 HB2 TYR 61 HB2 TYR 61 4.012 10.391 -30.879 450 HB3 TYR 61 HB1 TYR 61 4.583 9.564 -29.437 451 HD1 TYR 61 HD1 TYR 61 6.537 8.318 -29.736 452 HD2 TYR 61 HD2 TYR 61 3.840 8.651 -33.032 453 HE1 TYR 61 HE1 TYR 61 8.063 6.976 -31.114 454 HE2 TYR 61 HE2 TYR 61 5.357 7.308 -34.407 455 HH TYR 61 HH TYR 61 7.948 5.529 -33.132 456 H ALA 62 HN ALA 62 1.629 11.029 -30.883 457 HA ALA 62 HA ALA 62 -0.254 10.050 -32.829 458 HB1 ALA 62 HB1 ALA 62 -0.751 12.428 -33.226 459 HB2 ALA 62 HB2 ALA 62 0.652 12.898 -32.262 460 HB3 ALA 62 HB3 ALA 62 -0.709 12.069 -31.500 461 H ASP 63 HN ASP 63 -0.293 10.848 -35.090 462 HA ASP 63 HA ASP 63 2.003 9.906 -36.466 463 HB2 ASP 63 HB2 ASP 63 -0.313 9.608 -37.308 464 HB3 ASP 63 HB1 ASP 63 -0.452 11.343 -37.548 465 H SER 64 HN SER 64 0.766 13.144 -35.827 466 HA SER 64 HA SER 64 2.445 14.592 -37.627 467 HB2 SER 64 HB2 SER 64 1.701 16.571 -36.260 468 HB3 SER 64 HB1 SER 64 0.364 15.556 -36.800 469 HG SER 64 HG SER 64 -0.050 15.007 -34.802 470 H VAL 65 HN VAL 65 2.785 13.556 -34.271 471 HA VAL 65 HA VAL 65 5.318 15.029 -33.911 472 HB VAL 65 HB VAL 65 5.096 14.560 -31.531 473 HG11 VAL 65 HG11 VAL 65 2.999 15.785 -31.019 474 HG12 VAL 65 HG12 VAL 65 2.442 15.522 -32.675 475 HG13 VAL 65 HG13 VAL 65 3.868 16.518 -32.371 476 HG21 VAL 65 HG21 VAL 65 3.151 13.321 -30.592 477 HG22 VAL 65 HG22 VAL 65 4.171 12.292 -31.597 478 HG23 VAL 65 HG23 VAL 65 2.642 12.901 -32.232 479 H LYS 66 HN LYS 66 4.781 12.395 -35.452 480 HA LYS 66 HA LYS 66 5.929 10.191 -34.187 481 HB2 LYS 66 HB2 LYS 66 4.563 10.083 -36.245 482 HB3 LYS 66 HB1 LYS 66 5.844 10.873 -37.155 483 HG2 LYS 66 HG2 LYS 66 7.309 8.942 -36.861 484 HG3 LYS 66 HG1 LYS 66 6.120 8.155 -35.822 485 HD2 LYS 66 HD2 LYS 66 5.773 8.810 -38.773 486 HD3 LYS 66 HD1 LYS 66 6.062 7.207 -38.095 487 HE2 LYS 66 HE2 LYS 66 3.883 7.301 -36.933 488 HE3 LYS 66 HE1 LYS 66 3.607 8.923 -37.572 489 HZ1 LYS 66 HZ1 LYS 66 2.432 7.422 -38.927 490 HZ2 LYS 66 HZ2 LYS 66 3.758 6.390 -39.088 491 HZ3 LYS 66 HZ3 LYS 66 3.780 7.906 -39.829 492 H GLY 67 HN GLY 67 7.905 9.997 -33.401 493 HA2 GLY 67 HA2 GLY 67 10.204 9.653 -33.505 494 HA3 GLY 67 HA1 GLY 67 10.281 10.554 -35.009 495 H ARG 68 HN ARG 68 8.636 12.718 -33.523 496 HA ARG 68 HA ARG 68 10.898 14.276 -32.568 497 HB2 ARG 68 HB2 ARG 68 7.969 15.114 -32.414 498 HB3 ARG 68 HB1 ARG 68 9.399 16.140 -32.512 499 HG2 ARG 68 HG2 ARG 68 9.737 15.198 -34.871 500 HG3 ARG 68 HG1 ARG 68 8.127 14.493 -34.713 501 HD2 ARG 68 HD2 ARG 68 8.884 17.429 -34.725 502 HD3 ARG 68 HD1 ARG 68 7.893 16.565 -35.903 503 HE ARG 68 HE ARG 68 6.933 16.806 -33.129 504 HH11 ARG 68 HH11 ARG 68 6.531 17.681 -36.496 505 HH12 ARG 68 HH12 ARG 68 5.017 18.484 -36.237 506 HH21 ARG 68 HH21 ARG 68 4.950 17.866 -32.794 507 HH22 ARG 68 HH22 ARG 68 4.122 18.579 -34.140 508 H PHE 69 HN PHE 69 7.815 13.080 -31.278 509 HA PHE 69 HA PHE 69 8.625 13.382 -28.501 510 HB2 PHE 69 HB2 PHE 69 6.110 12.294 -29.832 511 HB3 PHE 69 HB1 PHE 69 6.375 12.165 -28.099 512 HD1 PHE 69 HD1 PHE 69 7.394 15.204 -30.009 513 HD2 PHE 69 HD2 PHE 69 4.386 13.433 -27.523 514 HE1 PHE 69 HE1 PHE 69 6.335 17.403 -29.708 515 HE2 PHE 69 HE2 PHE 69 3.343 15.639 -27.226 516 HZ PHE 69 HZ PHE 69 4.310 17.623 -28.316 517 H THR 70 HN THR 70 9.687 11.860 -27.440 518 HA THR 70 HA THR 70 9.792 9.063 -28.365 519 HB THR 70 HB THR 70 12.206 10.637 -27.329 520 HG1 THR 70 HG1 THR 70 11.535 11.423 -29.386 521 HG21 THR 70 HG21 THR 70 12.319 8.175 -26.990 522 HG22 THR 70 HG22 THR 70 13.521 8.724 -28.161 523 HG23 THR 70 HG23 THR 70 12.047 7.930 -28.717 524 H ILE 71 HN ILE 71 9.620 7.611 -26.659 525 HA ILE 71 HA ILE 71 9.659 8.677 -23.907 526 HB ILE 71 HB ILE 71 7.696 7.267 -23.309 527 HG12 ILE 71 HG12 ILE 71 7.802 5.680 -25.299 528 HG13 ILE 71 HG11 ILE 71 6.198 6.274 -24.914 529 HG21 ILE 71 HG21 ILE 71 7.434 9.654 -23.664 530 HG22 ILE 71 HG22 ILE 71 5.988 8.788 -24.164 531 HG23 ILE 71 HG23 ILE 71 7.111 9.394 -25.381 532 HD11 ILE 71 HD11 ILE 71 7.937 7.259 -27.175 533 HD12 ILE 71 HD12 ILE 71 6.302 7.812 -26.805 534 HD13 ILE 71 HD13 ILE 71 6.578 6.145 -27.306 535 H SER 72 HN SER 72 10.324 7.334 -22.340 536 HA SER 72 HA SER 72 11.023 4.554 -22.844 537 HB2 SER 72 HB2 SER 72 13.136 6.627 -22.070 538 HB3 SER 72 HB1 SER 72 13.394 4.885 -22.131 539 HG SER 72 HG SER 72 12.488 5.401 -24.478 540 H ARG 73 HN ARG 73 11.926 3.592 -20.798 541 HA ARG 73 HA ARG 73 11.261 4.942 -18.288 542 HB2 ARG 73 HB2 ARG 73 9.155 3.829 -18.849 543 HB3 ARG 73 HB1 ARG 73 9.989 2.326 -19.209 544 HG2 ARG 73 HG2 ARG 73 10.587 2.090 -16.810 545 HG3 ARG 73 HG1 ARG 73 9.733 3.597 -16.460 546 HD2 ARG 73 HD2 ARG 73 7.617 2.583 -17.228 547 HD3 ARG 73 HD1 ARG 73 8.468 1.079 -17.611 548 HE ARG 73 HE ARG 73 8.990 1.659 -14.938 549 HH11 ARG 73 HH11 ARG 73 6.178 0.782 -16.868 550 HH12 ARG 73 HH12 ARG 73 5.344 0.067 -15.529 551 HH21 ARG 73 HH21 ARG 73 7.885 0.706 -13.213 552 HH22 ARG 73 HH22 ARG 73 6.305 0.031 -13.456 553 H ASP 74 HN ASP 74 12.765 4.448 -16.818 554 HA ASP 74 HA ASP 74 14.495 2.073 -17.184 555 HB2 ASP 74 HB2 ASP 74 15.314 4.814 -16.125 556 HB3 ASP 74 HB1 ASP 74 16.354 3.395 -16.191 557 H ASN 75 HN ASN 75 13.752 0.696 -15.708 558 HA ASN 75 HA ASN 75 12.704 1.403 -13.132 559 HB2 ASN 75 HB2 ASN 75 13.580 -1.299 -14.243 560 HB3 ASN 75 HB1 ASN 75 12.683 -1.071 -12.744 561 HD21 ASN 75 HD21 ASN 75 11.946 -2.572 -15.152 562 HD22 ASN 75 HD22 ASN 75 10.445 -1.913 -15.686 563 H ALA 76 HN ALA 76 15.873 1.113 -14.349 564 HA ALA 76 HA ALA 76 17.434 0.174 -12.247 565 HB1 ALA 76 HB1 ALA 76 19.278 1.456 -13.258 566 HB2 ALA 76 HB2 ALA 76 18.121 2.394 -14.209 567 HB3 ALA 76 HB3 ALA 76 18.303 0.663 -14.497 568 H LYS 77 HN LYS 77 16.249 3.511 -12.813 569 HA LYS 77 HA LYS 77 16.819 4.142 -9.975 570 HB2 LYS 77 HB2 LYS 77 16.942 6.559 -10.632 571 HB3 LYS 77 HB1 LYS 77 18.251 5.573 -11.251 572 HG2 LYS 77 HG2 LYS 77 15.868 6.215 -13.001 573 HG3 LYS 77 HG1 LYS 77 17.168 7.390 -12.779 574 HD2 LYS 77 HD2 LYS 77 18.799 5.632 -13.574 575 HD3 LYS 77 HD1 LYS 77 17.423 4.583 -13.933 576 HE2 LYS 77 HE2 LYS 77 18.198 5.715 -15.964 577 HE3 LYS 77 HE1 LYS 77 16.577 6.264 -15.543 578 HZ1 LYS 77 HZ1 LYS 77 19.073 7.736 -14.917 579 HZ2 LYS 77 HZ2 LYS 77 17.495 8.272 -14.643 580 HZ3 LYS 77 HZ3 LYS 77 18.055 8.064 -16.223 581 H ASN 78 HN ASN 78 14.391 3.156 -11.740 582 HA ASN 78 HA ASN 78 12.139 3.338 -11.852 583 HB2 ASN 78 HB2 ASN 78 12.565 4.367 -9.025 584 HB3 ASN 78 HB1 ASN 78 10.964 4.064 -9.688 585 HD21 ASN 78 HD21 ASN 78 10.483 2.479 -8.193 586 HD22 ASN 78 HD22 ASN 78 11.249 0.928 -8.190 587 H THR 79 HN THR 79 12.720 5.037 -13.505 588 HA THR 79 HA THR 79 11.045 7.376 -12.995 589 HB THR 79 HB THR 79 13.853 7.774 -14.150 590 HG1 THR 79 HG1 THR 79 12.911 7.943 -11.492 591 HG21 THR 79 HG21 THR 79 13.383 10.175 -13.774 592 HG22 THR 79 HG22 THR 79 11.781 9.774 -13.155 593 HG23 THR 79 HG23 THR 79 12.173 9.468 -14.851 594 H VAL 80 HN VAL 80 9.824 7.830 -14.719 595 HA VAL 80 HA VAL 80 10.305 6.551 -17.340 596 HB VAL 80 HB VAL 80 7.744 7.902 -16.357 597 HG11 VAL 80 HG11 VAL 80 6.631 6.594 -18.145 598 HG12 VAL 80 HG12 VAL 80 8.195 5.948 -18.643 599 HG13 VAL 80 HG13 VAL 80 7.866 7.674 -18.800 600 HG21 VAL 80 HG21 VAL 80 6.851 5.658 -15.824 601 HG22 VAL 80 HG22 VAL 80 8.248 6.054 -14.821 602 HG23 VAL 80 HG23 VAL 80 8.425 4.946 -16.184 603 H TYR 81 HN TYR 81 10.573 7.889 -19.172 604 HA TYR 81 HA TYR 81 10.739 10.808 -18.642 605 HB2 TYR 81 HB2 TYR 81 12.566 9.172 -20.464 606 HB3 TYR 81 HB1 TYR 81 12.663 10.910 -20.172 607 HD1 TYR 81 HD1 TYR 81 13.512 11.797 -18.052 608 HD2 TYR 81 HD2 TYR 81 13.390 7.582 -18.750 609 HE1 TYR 81 HE1 TYR 81 14.985 11.438 -16.128 610 HE2 TYR 81 HE2 TYR 81 14.875 7.223 -16.822 611 HH TYR 81 HH TYR 81 15.507 9.669 -14.528 612 H LEU 82 HN LEU 82 10.123 12.212 -20.199 613 HA LEU 82 HA LEU 82 8.816 11.223 -22.669 614 HB2 LEU 82 HB2 LEU 82 7.095 11.811 -21.019 615 HB3 LEU 82 HB1 LEU 82 7.868 13.349 -20.704 616 HG LEU 82 HG LEU 82 7.287 14.063 -23.046 617 HD11 LEU 82 HD11 LEU 82 5.586 12.830 -24.308 618 HD12 LEU 82 HD12 LEU 82 5.661 11.511 -23.135 619 HD13 LEU 82 HD13 LEU 82 7.070 11.893 -24.129 620 HD21 LEU 82 HD21 LEU 82 5.913 14.742 -21.132 621 HD22 LEU 82 HD22 LEU 82 4.926 13.287 -21.309 622 HD23 LEU 82 HD23 LEU 82 4.930 14.515 -22.579 623 H GLN 83 HN GLN 83 10.451 11.797 -24.037 624 HA GLN 83 HA GLN 83 11.732 14.433 -23.902 625 HB2 GLN 83 HB2 GLN 83 13.131 12.383 -24.213 626 HB3 GLN 83 HB1 GLN 83 12.284 12.033 -25.712 627 HG2 GLN 83 HG2 GLN 83 14.479 13.017 -26.146 628 HG3 GLN 83 HG1 GLN 83 13.190 14.076 -26.724 629 HE21 GLN 83 HE21 GLN 83 12.890 16.088 -25.731 630 HE22 GLN 83 HE22 GLN 83 14.010 16.753 -24.593 631 H MET 84 HN MET 84 10.330 15.940 -24.722 632 HA MET 84 HA MET 84 8.910 15.391 -27.264 633 HB2 MET 84 HB2 MET 84 8.399 17.561 -25.182 634 HB3 MET 84 HB1 MET 84 7.457 17.300 -26.645 635 HG2 MET 84 HG2 MET 84 6.900 15.003 -25.745 636 HG3 MET 84 HG1 MET 84 7.632 15.511 -24.223 637 HE1 MET 84 HE1 MET 84 6.684 18.710 -24.280 638 HE2 MET 84 HE2 MET 84 6.679 17.717 -22.825 639 HE3 MET 84 HE3 MET 84 5.222 18.579 -23.305 640 H ASN 85 HN ASN 85 10.265 15.931 -28.870 641 HA ASN 85 HA ASN 85 11.658 18.545 -28.859 642 HB2 ASN 85 HB2 ASN 85 12.031 16.093 -30.637 643 HB3 ASN 85 HB1 ASN 85 12.911 17.608 -30.830 644 HD21 ASN 85 HD21 ASN 85 14.900 16.548 -30.490 645 HD22 ASN 85 HD22 ASN 85 15.406 16.028 -28.924 646 H SER 86 HN SER 86 11.500 19.909 -30.725 647 HA SER 86 HA SER 86 10.344 21.219 -32.147 648 HB2 SER 86 HB2 SER 86 10.821 19.386 -33.725 649 HB3 SER 86 HB1 SER 86 9.345 18.553 -33.239 650 HG SER 86 HG SER 86 8.158 20.316 -34.085 651 H LEU 87 HN LEU 87 9.282 21.196 -29.743 652 HA LEU 87 HA LEU 87 6.504 20.636 -29.560 653 HB2 LEU 87 HB2 LEU 87 8.440 22.280 -27.931 654 HB3 LEU 87 HB1 LEU 87 6.721 22.383 -27.585 655 HG LEU 87 HG LEU 87 8.337 19.802 -27.514 656 HD11 LEU 87 HD11 LEU 87 7.352 21.500 -25.198 657 HD12 LEU 87 HD12 LEU 87 9.033 21.293 -25.702 658 HD13 LEU 87 HD13 LEU 87 8.127 19.916 -25.077 659 HD21 LEU 87 HD21 LEU 87 5.984 19.424 -28.089 660 HD22 LEU 87 HD22 LEU 87 5.465 20.365 -26.689 661 HD23 LEU 87 HD23 LEU 87 6.325 18.842 -26.461 662 H LYS 88 HN LYS 88 4.773 21.813 -30.066 663 HA LYS 88 HA LYS 88 5.062 24.295 -31.605 664 HB2 LYS 88 HB2 LYS 88 2.632 22.542 -31.046 665 HB3 LYS 88 HB1 LYS 88 2.707 23.852 -32.224 666 HG2 LYS 88 HG2 LYS 88 4.170 22.606 -33.657 667 HG3 LYS 88 HG1 LYS 88 4.473 21.388 -32.410 668 HD2 LYS 88 HD2 LYS 88 1.769 21.902 -33.716 669 HD3 LYS 88 HD1 LYS 88 2.879 20.609 -34.175 670 HE2 LYS 88 HE2 LYS 88 2.630 19.539 -32.006 671 HE3 LYS 88 HE1 LYS 88 1.720 20.916 -31.379 672 HZ1 LYS 88 HZ1 LYS 88 0.271 19.114 -31.952 673 HZ2 LYS 88 HZ2 LYS 88 0.839 19.096 -33.541 674 HZ3 LYS 88 HZ3 LYS 88 -0.025 20.432 -32.963 675 HA PRO 89 HA PRO 89 3.734 26.961 -28.280 676 HB2 PRO 89 HB2 PRO 89 1.868 28.633 -29.486 677 HB3 PRO 89 HB1 PRO 89 3.617 28.797 -29.676 678 HG2 PRO 89 HG2 PRO 89 1.631 27.448 -31.501 679 HG3 PRO 89 HG1 PRO 89 2.962 28.551 -31.919 680 HD2 PRO 89 HD2 PRO 89 3.229 25.899 -32.223 681 HD3 PRO 89 HD1 PRO 89 4.593 26.885 -31.649 682 H GLU 90 HN GLU 90 1.283 25.199 -30.055 683 HA GLU 90 HA GLU 90 -0.936 25.592 -28.282 684 HB2 GLU 90 HB2 GLU 90 -2.009 23.777 -29.611 685 HB3 GLU 90 HB1 GLU 90 -1.320 25.049 -30.614 686 HG2 GLU 90 HG2 GLU 90 0.694 23.588 -30.979 687 HG3 GLU 90 HG1 GLU 90 -0.140 22.295 -30.119 688 H ASP 91 HN ASP 91 1.864 23.627 -28.044 689 HA ASP 91 HA ASP 91 0.742 21.681 -26.191 690 HB2 ASP 91 HB2 ASP 91 3.624 22.266 -27.007 691 HB3 ASP 91 HB1 ASP 91 3.152 20.960 -25.927 692 H THR 92 HN THR 92 0.532 24.612 -25.572 693 HA THR 92 HA THR 92 1.796 24.727 -22.954 694 HB THR 92 HB THR 92 -0.284 26.538 -24.261 695 HG1 THR 92 HG1 THR 92 1.763 26.721 -25.210 696 HG21 THR 92 HG21 THR 92 0.211 28.136 -22.411 697 HG22 THR 92 HG22 THR 92 1.194 26.900 -21.626 698 HG23 THR 92 HG23 THR 92 -0.542 26.654 -21.816 699 H ALA 93 HN ALA 93 1.028 23.085 -21.708 700 HA ALA 93 HA ALA 93 -1.703 23.002 -20.799 701 HB1 ALA 93 HB1 ALA 93 -2.192 20.688 -21.581 702 HB2 ALA 93 HB2 ALA 93 -0.674 20.672 -22.482 703 HB3 ALA 93 HB3 ALA 93 -1.962 21.787 -22.945 704 H VAL 94 HN VAL 94 -1.755 20.525 -19.592 705 HA VAL 94 HA VAL 94 0.826 20.285 -18.151 706 HB VAL 94 HB VAL 94 -0.835 21.077 -16.587 707 HG11 VAL 94 HG11 VAL 94 -2.912 20.436 -17.722 708 HG12 VAL 94 HG12 VAL 94 -2.927 19.906 -16.038 709 HG13 VAL 94 HG13 VAL 94 -2.619 18.740 -17.327 710 HG21 VAL 94 HG21 VAL 94 0.777 19.439 -15.724 711 HG22 VAL 94 HG22 VAL 94 -0.335 18.122 -16.107 712 HG23 VAL 94 HG23 VAL 94 -0.765 19.308 -14.872 713 H TYR 95 HN TYR 95 1.869 18.642 -19.048 714 HA TYR 95 HA TYR 95 0.546 16.225 -19.983 715 HB2 TYR 95 HB2 TYR 95 3.419 17.196 -19.918 716 HB3 TYR 95 HB1 TYR 95 3.090 15.488 -20.152 717 HD1 TYR 95 HD1 TYR 95 2.713 14.676 -22.357 718 HD2 TYR 95 HD2 TYR 95 2.199 18.846 -21.587 719 HE1 TYR 95 HE1 TYR 95 2.408 15.079 -24.756 720 HE2 TYR 95 HE2 TYR 95 1.904 19.250 -23.995 721 HH TYR 95 HH TYR 95 2.474 18.172 -26.150 722 H LEU 96 HN LEU 96 0.367 14.380 -18.783 723 HA LEU 96 HA LEU 96 1.568 14.272 -16.113 724 HB2 LEU 96 HB2 LEU 96 -0.707 13.558 -15.204 725 HB3 LEU 96 HB1 LEU 96 -0.488 15.247 -15.593 726 HG LEU 96 HG LEU 96 -1.683 14.599 -17.877 727 HD11 LEU 96 HD11 LEU 96 -2.737 12.414 -16.065 728 HD12 LEU 96 HD12 LEU 96 -1.765 12.187 -17.521 729 HD13 LEU 96 HD13 LEU 96 -3.387 12.862 -17.646 730 HD21 LEU 96 HD21 LEU 96 -2.576 16.215 -16.272 731 HD22 LEU 96 HD22 LEU 96 -3.229 14.906 -15.283 732 HD23 LEU 96 HD23 LEU 96 -3.865 15.189 -16.906 733 H CYS 97 HN CYS 97 1.910 12.253 -15.296 734 HA CYS 97 HA CYS 97 2.182 10.149 -17.292 735 HB2 CYS 97 HB2 CYS 97 4.121 10.796 -15.863 736 HB3 CYS 97 HB1 CYS 97 3.224 10.306 -14.430 737 HG CYS 97 HG CYS 97 3.992 8.151 -16.961 738 H ALA 98 HN ALA 98 1.642 7.949 -16.711 739 HA ALA 98 HA ALA 98 -0.689 7.636 -14.917 740 HB1 ALA 98 HB1 ALA 98 -1.495 7.860 -17.242 741 HB2 ALA 98 HB2 ALA 98 -1.764 6.228 -16.632 742 HB3 ALA 98 HB3 ALA 98 -0.432 6.544 -17.749 743 H ALA 99 HN ALA 99 -0.876 5.577 -14.045 744 HA ALA 99 HA ALA 99 1.307 3.626 -14.478 745 HB1 ALA 99 HB1 ALA 99 0.923 2.879 -12.155 746 HB2 ALA 99 HB2 ALA 99 -0.307 4.127 -11.947 747 HB3 ALA 99 HB3 ALA 99 1.376 4.584 -12.206 748 H GLY 100 HN GLY 100 0.596 1.805 -15.401 749 HA2 GLY 100 HA2 GLY 100 -2.309 1.271 -15.570 750 HA3 GLY 100 HA1 GLY 100 -1.170 1.021 -16.890 751 H VAL 101 HN VAL 101 -2.984 -0.811 -15.566 752 HA VAL 101 HA VAL 101 -1.158 -2.972 -14.785 753 HB VAL 101 HB VAL 101 -2.763 -3.689 -12.963 754 HG11 VAL 101 HG11 VAL 101 -1.517 -0.942 -12.516 755 HG12 VAL 101 HG12 VAL 101 -0.694 -2.495 -12.348 756 HG13 VAL 101 HG13 VAL 101 -2.004 -2.070 -11.246 757 HG21 VAL 101 HG21 VAL 101 -4.802 -2.500 -13.704 758 HG22 VAL 101 HG22 VAL 101 -4.043 -0.944 -13.363 759 HG23 VAL 101 HG23 VAL 101 -4.403 -2.056 -12.041 760 H TRP 102 HN TRP 102 -1.750 -4.924 -15.590 761 HA TRP 102 HA TRP 102 -3.711 -5.218 -17.590 762 HB2 TRP 102 HB2 TRP 102 -1.797 -6.713 -17.550 763 HB3 TRP 102 HB1 TRP 102 -2.217 -7.300 -15.947 764 HD1 TRP 102 HD1 TRP 102 -3.610 -7.461 -19.585 765 HE1 TRP 102 HE1 TRP 102 -4.910 -9.662 -19.841 766 HE3 TRP 102 HE3 TRP 102 -3.312 -9.144 -14.760 767 HZ2 TRP 102 HZ2 TRP 102 -5.716 -11.823 -18.213 768 HZ3 TRP 102 HZ3 TRP 102 -4.381 -11.289 -14.190 769 HH2 TRP 102 HH2 TRP 102 -5.557 -12.602 -15.885 770 H ARG 103 HN ARG 103 -5.814 -5.266 -17.343 771 HA ARG 103 HA ARG 103 -7.050 -6.026 -14.779 772 HB2 ARG 103 HB2 ARG 103 -7.414 -3.748 -16.327 773 HB3 ARG 103 HB1 ARG 103 -8.741 -4.745 -16.897 774 HG2 ARG 103 HG2 ARG 103 -8.262 -4.066 -13.972 775 HG3 ARG 103 HG1 ARG 103 -9.320 -3.142 -15.039 776 HD2 ARG 103 HD2 ARG 103 -10.743 -5.127 -15.352 777 HD3 ARG 103 HD1 ARG 103 -9.661 -6.074 -14.319 778 HE ARG 103 HE ARG 103 -10.504 -3.813 -12.885 779 HH11 ARG 103 HH11 ARG 103 -11.958 -6.754 -14.155 780 HH12 ARG 103 HH12 ARG 103 -13.150 -6.829 -12.899 781 HH21 ARG 103 HH21 ARG 103 -12.061 -3.938 -11.279 782 HH22 ARG 103 HH22 ARG 103 -13.210 -5.242 -11.278 783 H SER 104 HN SER 104 -8.842 -7.474 -14.774 784 HA SER 104 HA SER 104 -8.824 -9.673 -16.551 785 HB2 SER 104 HB2 SER 104 -10.902 -10.336 -15.281 786 HB3 SER 104 HB1 SER 104 -9.530 -9.930 -14.255 787 HG SER 104 HG SER 104 -11.208 -8.869 -13.384 788 H SER 105 HN SER 105 -10.329 -6.604 -16.813 789 HA SER 105 HA SER 105 -12.454 -7.156 -18.598 790 HB2 SER 105 HB2 SER 105 -10.727 -4.652 -18.353 791 HB3 SER 105 HB1 SER 105 -12.326 -4.744 -19.109 792 HG SER 105 HG SER 105 -13.208 -5.261 -17.103 793 H GLY 106 HN GLY 106 -9.006 -7.014 -18.998 794 HA2 GLY 106 HA2 GLY 106 -8.001 -8.248 -20.825 795 HA3 GLY 106 HA1 GLY 106 -9.251 -7.632 -21.894 796 H TRP 107 HN TRP 107 -9.068 -4.916 -20.768 797 HA TRP 107 HA TRP 107 -6.825 -3.903 -22.325 798 HB2 TRP 107 HB2 TRP 107 -8.957 -2.407 -20.721 799 HB3 TRP 107 HB1 TRP 107 -7.761 -1.651 -21.770 800 HD1 TRP 107 HD1 TRP 107 -8.087 -2.017 -24.467 801 HE1 TRP 107 HE1 TRP 107 -10.194 -2.526 -25.842 802 HE3 TRP 107 HE3 TRP 107 -11.165 -3.614 -20.700 803 HZ2 TRP 107 HZ2 TRP 107 -12.813 -3.463 -25.405 804 HZ3 TRP 107 HZ3 TRP 107 -13.463 -4.298 -21.266 805 HH2 TRP 107 HH2 TRP 107 -14.269 -4.222 -23.574 806 H ASP 108 HN ASP 108 -5.079 -2.777 -21.522 807 HA ASP 108 HA ASP 108 -4.362 -3.206 -18.743 808 HB2 ASP 108 HB2 ASP 108 -2.763 -3.302 -20.849 809 HB3 ASP 108 HB1 ASP 108 -2.699 -1.556 -20.679 810 H THR 109 HN THR 109 -5.649 -1.933 -17.503 811 HA THR 109 HA THR 109 -6.555 0.657 -18.358 812 HB THR 109 HB THR 109 -7.769 0.618 -16.116 813 HG1 THR 109 HG1 THR 109 -6.039 -1.066 -15.366 814 HG21 THR 109 HG21 THR 109 -8.170 -1.818 -17.897 815 HG22 THR 109 HG22 THR 109 -8.864 -0.217 -18.174 816 HG23 THR 109 HG23 THR 109 -9.350 -1.158 -16.763 817 HA PRO 110 HA PRO 110 -3.191 2.807 -16.137 818 HB2 PRO 110 HB2 PRO 110 -4.107 5.348 -17.197 819 HB3 PRO 110 HB1 PRO 110 -2.716 4.398 -17.721 820 HG2 PRO 110 HG2 PRO 110 -5.013 4.830 -19.241 821 HG3 PRO 110 HG1 PRO 110 -3.840 3.532 -19.516 822 HD2 PRO 110 HD2 PRO 110 -6.512 3.415 -18.144 823 HD3 PRO 110 HD1 PRO 110 -5.713 2.208 -19.176 824 H ASP 111 HN ASP 111 -4.494 2.141 -14.257 825 HA ASP 111 HA ASP 111 -6.901 3.377 -13.470 826 HB2 ASP 111 HB2 ASP 111 -6.136 1.087 -12.770 827 HB3 ASP 111 HB1 ASP 111 -4.941 1.828 -11.714 828 H TYR 112 HN TYR 112 -3.559 4.072 -12.698 829 HA TYR 112 HA TYR 112 -4.346 6.273 -10.871 830 HB2 TYR 112 HB2 TYR 112 -1.687 4.771 -11.015 831 HB3 TYR 112 HB1 TYR 112 -2.098 6.030 -9.854 832 HD1 TYR 112 HD1 TYR 112 -2.217 2.483 -10.530 833 HD2 TYR 112 HD2 TYR 112 -4.049 5.593 -8.238 834 HE1 TYR 112 HE1 TYR 112 -3.180 0.801 -9.013 835 HE2 TYR 112 HE2 TYR 112 -5.004 3.919 -6.729 836 HH TYR 112 HH TYR 112 -5.640 1.544 -6.783 837 H TRP 113 HN TRP 113 -3.333 8.247 -11.094 838 HA TRP 113 HA TRP 113 -1.453 8.711 -13.320 839 HB2 TRP 113 HB2 TRP 113 -3.949 10.347 -12.662 840 HB3 TRP 113 HB1 TRP 113 -2.618 11.013 -13.602 841 HD1 TRP 113 HD1 TRP 113 -2.272 10.062 -16.105 842 HE1 TRP 113 HE1 TRP 113 -3.875 8.873 -17.717 843 HE3 TRP 113 HE3 TRP 113 -5.898 8.632 -12.776 844 HZ2 TRP 113 HZ2 TRP 113 -6.329 7.514 -17.626 845 HZ3 TRP 113 HZ3 TRP 113 -7.851 7.392 -13.630 846 HH2 TRP 113 HH2 TRP 113 -8.061 6.847 -16.006 847 H GLY 114 HN GLY 114 -0.138 10.663 -12.974 848 HA2 GLY 114 HA2 GLY 114 0.774 10.852 -10.236 849 HA3 GLY 114 HA1 GLY 114 1.472 11.644 -11.642 850 H GLN 115 HN GLN 115 1.698 13.601 -10.486 851 HA GLN 115 HA GLN 115 -0.825 15.042 -9.857 852 HB2 GLN 115 HB2 GLN 115 0.869 16.631 -8.580 853 HB3 GLN 115 HB1 GLN 115 0.311 15.151 -7.831 854 HG2 GLN 115 HG2 GLN 115 2.667 15.400 -7.399 855 HG3 GLN 115 HG1 GLN 115 2.433 14.039 -8.493 856 HE21 GLN 115 HE21 GLN 115 3.662 17.316 -8.205 857 HE22 GLN 115 HE22 GLN 115 4.585 17.287 -9.663 858 H GLY 116 HN GLY 116 1.155 14.654 -12.362 859 HA2 GLY 116 HA2 GLY 116 1.110 15.762 -14.371 860 HA3 GLY 116 HA1 GLY 116 0.291 17.120 -13.615 861 H THR 117 HN THR 117 2.339 17.396 -15.497 862 HA THR 117 HA THR 117 4.083 19.126 -13.894 863 HB THR 117 HB THR 117 5.576 17.279 -14.293 864 HG1 THR 117 HG1 THR 117 6.429 18.946 -16.371 865 HG21 THR 117 HG21 THR 117 6.127 16.383 -16.523 866 HG22 THR 117 HG22 THR 117 4.899 17.420 -17.252 867 HG23 THR 117 HG23 THR 117 4.420 16.133 -16.141 868 H GLN 118 HN GLN 118 3.726 21.116 -14.534 869 HA GLN 118 HA GLN 118 2.171 21.802 -16.822 870 HB2 GLN 118 HB2 GLN 118 3.699 23.520 -14.832 871 HB3 GLN 118 HB1 GLN 118 2.726 24.204 -16.130 872 HG2 GLN 118 HG2 GLN 118 1.690 22.437 -13.903 873 HG3 GLN 118 HG1 GLN 118 1.551 24.191 -13.969 874 HE21 GLN 118 HE21 GLN 118 0.937 24.197 -16.893 875 HE22 GLN 118 HE22 GLN 118 -0.685 23.629 -17.022 876 H VAL 119 HN VAL 119 2.849 22.030 -18.827 877 HA VAL 119 HA VAL 119 5.562 23.060 -19.423 878 HB VAL 119 HB VAL 119 5.499 21.886 -21.569 879 HG11 VAL 119 HG11 VAL 119 4.721 19.959 -19.340 880 HG12 VAL 119 HG12 VAL 119 6.344 20.582 -19.647 881 HG13 VAL 119 HG13 VAL 119 5.570 19.526 -20.830 882 HG21 VAL 119 HG21 VAL 119 3.085 22.038 -22.073 883 HG22 VAL 119 HG22 VAL 119 2.730 20.858 -20.811 884 HG23 VAL 119 HG23 VAL 119 3.649 20.373 -22.240 885 H THR 120 HN THR 120 5.640 24.940 -20.607 886 HA THR 120 HA THR 120 3.194 25.929 -21.957 887 HB THR 120 HB THR 120 5.020 27.594 -20.150 888 HG1 THR 120 HG1 THR 120 2.576 26.331 -19.779 889 HG21 THR 120 HG21 THR 120 2.602 28.472 -21.781 890 HG22 THR 120 HG22 THR 120 4.276 28.947 -22.073 891 HG23 THR 120 HG23 THR 120 3.456 29.473 -20.603 892 H VAL 121 HN VAL 121 3.879 25.681 -24.043 893 HA VAL 121 HA VAL 121 6.637 26.350 -24.758 894 HB VAL 121 HB VAL 121 4.421 25.385 -26.607 895 HG11 VAL 121 HG11 VAL 121 7.450 25.403 -26.953 896 HG12 VAL 121 HG12 VAL 121 6.308 26.457 -27.790 897 HG13 VAL 121 HG13 VAL 121 6.289 24.719 -28.098 898 HG21 VAL 121 HG21 VAL 121 4.781 23.729 -24.813 899 HG22 VAL 121 HG22 VAL 121 6.517 23.726 -25.143 900 HG23 VAL 121 HG23 VAL 121 5.387 23.120 -26.357 901 H SER 122 HN SER 122 6.876 28.537 -24.605 902 HA SER 122 HA SER 122 5.240 30.580 -25.568 903 HB2 SER 122 HB2 SER 122 7.367 31.901 -25.738 904 HB3 SER 122 HB1 SER 122 7.236 31.024 -24.221 905 HG SER 122 HG SER 122 8.449 29.387 -25.791 906 H SER 123 HN SER 123 4.951 31.572 -27.571 907 HA SER 123 HA SER 123 5.686 30.078 -29.970 908 HB2 SER 123 HB2 SER 123 4.173 31.799 -31.087 909 HB3 SER 123 HB1 SER 123 3.390 30.863 -29.814 910 HG SER 123 HG SER 123 2.976 33.144 -29.720 911 H LEU 124 HN LEU 124 8.033 30.698 -29.236 912 HA LEU 124 HA LEU 124 10.006 31.785 -29.474 913 HB2 LEU 124 HB2 LEU 124 8.615 32.853 -31.963 914 HB3 LEU 124 HB1 LEU 124 10.296 33.178 -31.610 915 HG LEU 124 HG LEU 124 10.309 31.446 -33.217 916 HD11 LEU 124 HD11 LEU 124 11.364 29.559 -32.125 917 HD12 LEU 124 HD12 LEU 124 10.738 30.081 -30.560 918 HD13 LEU 124 HD13 LEU 124 11.908 31.083 -31.424 919 HD21 LEU 124 HD21 LEU 124 8.271 29.918 -31.582 920 HD22 LEU 124 HD22 LEU 124 9.047 29.346 -33.064 921 HD23 LEU 124 HD23 LEU 124 7.982 30.751 -33.111 922 H GLU 125 HN GLU 125 8.200 32.953 -27.682 923 HA GLU 125 HA GLU 125 7.866 35.768 -28.165 924 HB2 GLU 125 HB2 GLU 125 7.336 34.120 -25.672 925 HB3 GLU 125 HB1 GLU 125 6.825 35.791 -25.904 926 HG2 GLU 125 HG2 GLU 125 5.378 35.113 -27.759 927 HG3 GLU 125 HG1 GLU 125 5.943 33.451 -27.618 928 H HIS 126 HN HIS 126 9.184 34.479 -25.082 929 HA HIS 126 HA HIS 126 11.481 36.331 -25.260 930 HB2 HIS 126 HB2 HIS 126 9.325 36.450 -23.095 931 HB3 HIS 126 HB1 HIS 126 10.892 37.246 -22.961 932 HD1 HIS 126 HD1 HIS 126 7.530 37.916 -23.988 933 HD2 HIS 126 HD2 HIS 126 11.287 39.159 -25.251 934 HE1 HIS 126 HE1 HIS 126 7.132 40.001 -25.333 935 HE2 HIS 126 HE2 HIS 126 9.401 40.644 -26.212 936 H HIS 127 HN HIS 127 11.039 33.344 -25.144 937 HA HIS 127 HA HIS 127 12.342 32.505 -22.706 938 HB2 HIS 127 HB2 HIS 127 10.908 30.951 -24.105 939 HB3 HIS 127 HB1 HIS 127 12.161 30.963 -25.345 940 HD1 HIS 127 HD1 HIS 127 13.879 29.148 -25.110 941 HD2 HIS 127 HD2 HIS 127 11.951 29.933 -21.520 942 HE1 HIS 127 HE1 HIS 127 14.708 27.403 -23.505 943 HE2 HIS 127 HE2 HIS 127 13.362 27.774 -21.412 944 H HIS 128 HN HIS 128 14.264 33.506 -22.377 945 HA HIS 128 HA HIS 128 15.965 34.582 -24.315 946 HB2 HIS 128 HB2 HIS 128 15.962 35.319 -21.960 947 HB3 HIS 128 HB1 HIS 128 16.617 33.765 -21.450 948 HD1 HIS 128 HD1 HIS 128 17.593 37.067 -22.885 949 HD2 HIS 128 HD2 HIS 128 19.399 33.441 -21.968 950 HE1 HIS 128 HE1 HIS 128 20.069 37.497 -23.012 951 HE2 HIS 128 HE2 HIS 128 21.145 35.288 -22.431 952 H HIS 129 HN HIS 129 16.967 33.470 -25.840 953 HA HIS 129 HA HIS 129 17.983 30.771 -25.465 954 HB2 HIS 129 HB2 HIS 129 18.628 30.936 -27.882 955 HB3 HIS 129 HB1 HIS 129 16.929 31.278 -27.605 956 HD1 HIS 129 HD1 HIS 129 16.082 33.252 -28.823 957 HD2 HIS 129 HD2 HIS 129 20.175 33.526 -28.175 958 HE1 HIS 129 HE1 HIS 129 16.813 35.332 -30.018 959 HE2 HIS 129 HE2 HIS 129 19.310 35.410 -29.724 960 H HIS 130 HN HIS 130 20.225 30.274 -26.286 961 HA HIS 130 HA HIS 130 22.218 32.383 -25.805 962 HB2 HIS 130 HB2 HIS 130 21.947 31.148 -23.637 963 HB3 HIS 130 HB1 HIS 130 22.342 29.641 -24.456 964 HD1 HIS 130 HD1 HIS 130 24.855 29.348 -25.242 965 HD2 HIS 130 HD2 HIS 130 24.126 32.748 -22.969 966 HE1 HIS 130 HE1 HIS 130 27.117 30.212 -24.577 967 HE2 HIS 130 HE2 HIS 130 26.651 32.365 -23.364 968 H HIS 131 HN HIS 131 23.977 32.198 -27.109 969 HA HIS 131 HA HIS 131 24.394 29.727 -28.679 970 HB2 HIS 131 HB2 HIS 131 23.363 31.409 -30.158 971 HB3 HIS 131 HB1 HIS 131 24.572 32.602 -29.707 972 HD1 HIS 131 HD1 HIS 131 26.747 32.589 -30.969 973 HD2 HIS 131 HD2 HIS 131 24.372 29.299 -31.858 974 HE1 HIS 131 HE1 HIS 131 27.850 31.482 -32.936 975 HE2 HIS 131 HE2 HIS 131 26.378 29.517 -33.483 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 1.335 -0.720 1.160 2 H2 MET 1 HT2 MET 1 -0.150 -0.271 0.491 3 H3 MET 1 HT3 MET 1 0.998 0.908 0.858 4 HA MET 1 HA MET 1 2.472 0.125 -0.803 5 HB2 MET 1 HB2 MET 1 0.359 -2.019 -1.278 6 HB3 MET 1 HB1 MET 1 1.689 -1.706 -2.383 7 HG2 MET 1 HG2 MET 1 3.299 -2.352 -0.644 8 HG3 MET 1 HG1 MET 1 1.978 -2.637 0.485 9 HE1 MET 1 HE1 MET 1 2.566 -5.152 -3.362 10 HE2 MET 1 HE2 MET 1 3.581 -3.772 -2.955 11 HE3 MET 1 HE3 MET 1 1.882 -3.527 -3.374 12 H GLN 2 HN GLN 2 1.817 2.295 -1.243 13 HA GLN 2 HA GLN 2 -0.344 2.601 -3.256 14 HB2 GLN 2 HB2 GLN 2 0.932 4.620 -1.360 15 HB3 GLN 2 HB1 GLN 2 -0.037 5.117 -2.735 16 HG2 GLN 2 HG2 GLN 2 -1.428 5.213 -0.794 17 HG3 GLN 2 HG1 GLN 2 -1.971 3.844 -1.765 18 HE21 GLN 2 HE21 GLN 2 -0.297 4.794 1.171 19 HE22 GLN 2 HE22 GLN 2 -0.468 3.280 1.984 20 H LEU 3 HN LEU 3 0.286 2.914 -5.314 21 HA LEU 3 HA LEU 3 3.079 3.157 -6.021 22 HB2 LEU 3 HB2 LEU 3 1.169 1.853 -7.290 23 HB3 LEU 3 HB1 LEU 3 0.775 3.406 -7.990 24 HG LEU 3 HG LEU 3 2.140 2.042 -9.519 25 HD11 LEU 3 HD11 LEU 3 2.385 4.473 -9.685 26 HD12 LEU 3 HD12 LEU 3 3.864 3.630 -10.137 27 HD13 LEU 3 HD13 LEU 3 3.748 4.422 -8.562 28 HD21 LEU 3 HD21 LEU 3 4.461 1.436 -9.036 29 HD22 LEU 3 HD22 LEU 3 3.358 0.696 -7.878 30 HD23 LEU 3 HD23 LEU 3 4.317 2.102 -7.406 31 H GLN 4 HN GLN 4 4.070 5.043 -5.953 32 HA GLN 4 HA GLN 4 2.606 7.604 -6.168 33 HB2 GLN 4 HB2 GLN 4 5.376 7.010 -5.033 34 HB3 GLN 4 HB1 GLN 4 4.533 8.559 -4.957 35 HG2 GLN 4 HG2 GLN 4 2.865 7.653 -3.457 36 HG3 GLN 4 HG1 GLN 4 3.490 6.017 -3.656 37 HE21 GLN 4 HE21 GLN 4 6.304 6.806 -3.465 38 HE22 GLN 4 HE22 GLN 4 6.578 7.205 -1.813 39 H LEU 5 HN LEU 5 3.226 9.131 -7.672 40 HA LEU 5 HA LEU 5 5.557 8.639 -9.423 41 HB2 LEU 5 HB2 LEU 5 2.755 9.460 -10.292 42 HB3 LEU 5 HB1 LEU 5 4.159 9.509 -11.344 43 HG LEU 5 HG LEU 5 3.096 6.957 -10.064 44 HD11 LEU 5 HD11 LEU 5 2.140 6.388 -12.239 45 HD12 LEU 5 HD12 LEU 5 2.617 7.962 -12.879 46 HD13 LEU 5 HD13 LEU 5 1.420 7.859 -11.586 47 HD21 LEU 5 HD21 LEU 5 4.538 5.786 -11.682 48 HD22 LEU 5 HD22 LEU 5 5.489 6.840 -10.640 49 HD23 LEU 5 HD23 LEU 5 5.132 7.333 -12.298 50 H VAL 6 HN VAL 6 6.859 10.404 -9.568 51 HA VAL 6 HA VAL 6 5.815 13.074 -8.769 52 HB VAL 6 HB VAL 6 8.654 12.007 -8.340 53 HG11 VAL 6 HG11 VAL 6 9.068 14.112 -7.080 54 HG12 VAL 6 HG12 VAL 6 7.453 14.684 -7.503 55 HG13 VAL 6 HG13 VAL 6 8.659 14.438 -8.766 56 HG21 VAL 6 HG21 VAL 6 8.151 12.052 -5.910 57 HG22 VAL 6 HG22 VAL 6 7.070 10.946 -6.762 58 HG23 VAL 6 HG23 VAL 6 6.486 12.535 -6.257 59 H GLU 7 HN GLU 7 5.450 14.024 -10.712 60 HA GLU 7 HA GLU 7 7.276 13.780 -12.958 61 HB2 GLU 7 HB2 GLU 7 4.746 15.470 -12.653 62 HB3 GLU 7 HB1 GLU 7 5.705 15.360 -14.121 63 HG2 GLU 7 HG2 GLU 7 4.047 13.852 -14.618 64 HG3 GLU 7 HG1 GLU 7 5.249 12.780 -13.922 65 H SER 8 HN SER 8 8.376 15.485 -13.930 66 HA SER 8 HA SER 8 8.605 18.099 -12.713 67 HB2 SER 8 HB2 SER 8 11.169 17.831 -12.506 68 HB3 SER 8 HB1 SER 8 10.211 17.006 -11.277 69 HG SER 8 HG SER 8 10.424 15.089 -12.555 70 H GLY 9 HN GLY 9 9.531 19.602 -14.117 71 HA2 GLY 9 HA2 GLY 9 10.842 20.055 -16.184 72 HA3 GLY 9 HA1 GLY 9 9.937 18.749 -16.944 73 H GLY 10 HN GLY 10 8.722 21.260 -14.742 74 HA2 GLY 10 HA2 GLY 10 6.669 22.035 -16.713 75 HA3 GLY 10 HA1 GLY 10 6.628 22.332 -14.984 76 H GLY 11 HN GLY 11 6.954 23.837 -17.880 77 HA2 GLY 11 HA2 GLY 11 7.487 26.371 -16.784 78 HA3 GLY 11 HA1 GLY 11 8.979 25.763 -17.496 79 H LEU 12 HN LEU 12 8.292 27.941 -18.609 80 HA LEU 12 HA LEU 12 6.666 27.453 -21.001 81 HB2 LEU 12 HB2 LEU 12 6.530 29.628 -19.680 82 HB3 LEU 12 HB1 LEU 12 8.160 29.958 -20.217 83 HG LEU 12 HG LEU 12 7.273 29.813 -22.628 84 HD11 LEU 12 HD11 LEU 12 4.882 30.277 -22.934 85 HD12 LEU 12 HD12 LEU 12 4.613 30.057 -21.207 86 HD13 LEU 12 HD13 LEU 12 5.165 28.705 -22.198 87 HD21 LEU 12 HD21 LEU 12 6.295 32.101 -20.887 88 HD22 LEU 12 HD22 LEU 12 6.482 32.135 -22.643 89 HD23 LEU 12 HD23 LEU 12 7.899 31.954 -21.613 90 H VAL 13 HN VAL 13 7.576 26.863 -22.860 91 HA VAL 13 HA VAL 13 10.411 27.475 -23.467 92 HB VAL 13 HB VAL 13 10.518 25.315 -24.780 93 HG11 VAL 13 HG11 VAL 13 10.844 23.794 -22.843 94 HG12 VAL 13 HG12 VAL 13 9.986 24.935 -21.804 95 HG13 VAL 13 HG13 VAL 13 11.525 25.394 -22.533 96 HG21 VAL 13 HG21 VAL 13 7.881 24.671 -23.393 97 HG22 VAL 13 HG22 VAL 13 8.837 23.534 -24.346 98 HG23 VAL 13 HG23 VAL 13 8.106 24.937 -25.125 99 H GLN 14 HN GLN 14 10.784 27.460 -25.867 100 HA GLN 14 HA GLN 14 8.658 28.863 -27.257 101 HB2 GLN 14 HB2 GLN 14 10.277 29.386 -28.988 102 HB3 GLN 14 HB1 GLN 14 10.983 29.723 -27.418 103 HG2 GLN 14 HG2 GLN 14 11.579 27.234 -29.042 104 HG3 GLN 14 HG1 GLN 14 12.544 28.706 -29.110 105 HE21 GLN 14 HE21 GLN 14 13.352 26.042 -28.356 106 HE22 GLN 14 HE22 GLN 14 13.982 26.149 -26.750 107 H ALA 15 HN ALA 15 7.730 28.262 -29.185 108 HA ALA 15 HA ALA 15 7.291 25.585 -29.886 109 HB1 ALA 15 HB1 ALA 15 5.748 27.394 -30.504 110 HB2 ALA 15 HB2 ALA 15 6.256 26.489 -31.932 111 HB3 ALA 15 HB3 ALA 15 6.960 28.072 -31.595 112 H GLY 16 HN GLY 16 8.725 24.210 -30.653 113 HA2 GLY 16 HA2 GLY 16 10.166 23.445 -32.432 114 HA3 GLY 16 HA1 GLY 16 10.879 25.052 -32.513 115 H GLY 17 HN GLY 17 10.377 24.378 -29.300 116 HA2 GLY 17 HA2 GLY 17 13.213 23.883 -28.838 117 HA3 GLY 17 HA1 GLY 17 12.005 24.333 -27.647 118 H SER 18 HN SER 18 13.616 22.578 -26.751 119 HA SER 18 HA SER 18 12.281 19.938 -26.855 120 HB2 SER 18 HB2 SER 18 14.979 20.625 -25.593 121 HB3 SER 18 HB1 SER 18 14.306 19.012 -25.843 122 HG SER 18 HG SER 18 14.307 20.162 -28.189 123 H LEU 19 HN LEU 19 11.902 18.930 -24.834 124 HA LEU 19 HA LEU 19 12.258 20.230 -22.318 125 HB2 LEU 19 HB2 LEU 19 10.144 21.309 -23.182 126 HB3 LEU 19 HB1 LEU 19 9.397 19.721 -23.251 127 HG LEU 19 HG LEU 19 9.550 19.508 -20.798 128 HD11 LEU 19 HD11 LEU 19 10.296 21.370 -19.374 129 HD12 LEU 19 HD12 LEU 19 10.806 22.273 -20.803 130 HD13 LEU 19 HD13 LEU 19 11.611 20.760 -20.379 131 HD21 LEU 19 HD21 LEU 19 7.542 20.540 -21.759 132 HD22 LEU 19 HD22 LEU 19 8.288 22.138 -21.648 133 HD23 LEU 19 HD23 LEU 19 7.912 21.233 -20.180 134 H ARG 20 HN ARG 20 12.930 18.583 -21.104 135 HA ARG 20 HA ARG 20 12.172 15.816 -21.801 136 HB2 ARG 20 HB2 ARG 20 14.615 16.454 -21.720 137 HB3 ARG 20 HB1 ARG 20 14.440 16.778 -19.996 138 HG2 ARG 20 HG2 ARG 20 13.827 14.407 -19.613 139 HG3 ARG 20 HG1 ARG 20 13.992 14.086 -21.344 140 HD2 ARG 20 HD2 ARG 20 16.208 14.947 -19.446 141 HD3 ARG 20 HD1 ARG 20 15.995 13.342 -20.155 142 HE ARG 20 HE ARG 20 16.272 15.521 -22.067 143 HH11 ARG 20 HH11 ARG 20 17.939 12.953 -20.358 144 HH12 ARG 20 HH12 ARG 20 19.343 13.036 -21.368 145 HH21 ARG 20 HH21 ARG 20 18.085 15.600 -23.400 146 HH22 ARG 20 HH22 ARG 20 19.430 14.545 -23.098 147 H LEU 21 HN LEU 21 10.433 15.195 -20.713 148 HA LEU 21 HA LEU 21 9.884 16.035 -17.980 149 HB2 LEU 21 HB2 LEU 21 8.339 14.235 -19.903 150 HB3 LEU 21 HB1 LEU 21 7.818 14.582 -18.266 151 HG LEU 21 HG LEU 21 6.531 15.992 -19.691 152 HD11 LEU 21 HD11 LEU 21 7.097 18.247 -18.989 153 HD12 LEU 21 HD12 LEU 21 8.724 17.727 -18.544 154 HD13 LEU 21 HD13 LEU 21 7.324 17.103 -17.670 155 HD21 LEU 21 HD21 LEU 21 9.079 16.935 -21.040 156 HD22 LEU 21 HD22 LEU 21 7.446 17.518 -21.377 157 HD23 LEU 21 HD23 LEU 21 7.874 15.846 -21.731 158 H SER 22 HN SER 22 10.007 14.735 -16.231 159 HA SER 22 HA SER 22 10.871 11.934 -16.466 160 HB2 SER 22 HB2 SER 22 12.611 12.397 -14.646 161 HB3 SER 22 HB1 SER 22 12.986 13.078 -16.228 162 HG SER 22 HG SER 22 11.613 14.647 -14.333 163 H CYS 23 HN CYS 23 9.671 10.721 -15.189 164 HA CYS 23 HA CYS 23 8.424 11.828 -12.755 165 HB2 CYS 23 HB2 CYS 23 6.688 11.509 -14.440 166 HB3 CYS 23 HB1 CYS 23 7.215 9.849 -14.723 167 HG CYS 23 HG CYS 23 5.516 11.130 -12.072 168 H VAL 24 HN VAL 24 9.270 10.859 -11.012 169 HA VAL 24 HA VAL 24 10.761 8.373 -11.276 170 HB VAL 24 HB VAL 24 10.326 10.052 -8.769 171 HG11 VAL 24 HG11 VAL 24 12.465 7.985 -9.442 172 HG12 VAL 24 HG12 VAL 24 11.122 7.762 -8.316 173 HG13 VAL 24 HG13 VAL 24 12.387 8.938 -7.956 174 HG21 VAL 24 HG21 VAL 24 11.343 11.469 -10.522 175 HG22 VAL 24 HG22 VAL 24 12.603 10.261 -10.793 176 HG23 VAL 24 HG23 VAL 24 12.517 11.116 -9.251 177 H ALA 25 HN ALA 25 10.068 6.434 -10.606 178 HA ALA 25 HA ALA 25 7.280 6.107 -9.835 179 HB1 ALA 25 HB1 ALA 25 7.609 3.748 -10.493 180 HB2 ALA 25 HB2 ALA 25 9.334 4.050 -10.740 181 HB3 ALA 25 HB3 ALA 25 8.141 4.845 -11.770 182 H SER 26 HN SER 26 7.107 6.406 -7.703 183 HA SER 26 HA SER 26 7.054 6.054 -5.510 184 HB2 SER 26 HB2 SER 26 7.018 3.606 -4.787 185 HB3 SER 26 HB1 SER 26 5.898 4.037 -6.075 186 HG SER 26 HG SER 26 8.406 3.102 -6.842 187 H GLY 27 HN GLY 27 9.268 7.266 -5.900 188 HA2 GLY 27 HA2 GLY 27 11.179 7.873 -4.749 189 HA3 GLY 27 HA1 GLY 27 11.046 6.408 -3.786 190 H ARG 28 HN ARG 28 11.684 4.375 -4.851 191 HA ARG 28 HA ARG 28 13.072 4.295 -7.346 192 HB2 ARG 28 HB2 ARG 28 14.795 5.347 -5.802 193 HB3 ARG 28 HB1 ARG 28 14.766 3.880 -4.833 194 HG2 ARG 28 HG2 ARG 28 15.801 2.593 -6.552 195 HG3 ARG 28 HG1 ARG 28 15.486 3.820 -7.781 196 HD2 ARG 28 HD2 ARG 28 17.413 4.120 -5.442 197 HD3 ARG 28 HD1 ARG 28 17.861 3.785 -7.121 198 HE ARG 28 HE ARG 28 16.368 6.053 -7.302 199 HH11 ARG 28 HH11 ARG 28 19.254 5.265 -5.467 200 HH12 ARG 28 HH12 ARG 28 19.821 6.902 -5.447 201 HH21 ARG 28 HH21 ARG 28 17.115 8.190 -7.246 202 HH22 ARG 28 HH22 ARG 28 18.602 8.559 -6.428 203 H THR 29 HN THR 29 10.839 3.071 -6.266 204 HA THR 29 HA THR 29 11.601 0.270 -5.718 205 HB THR 29 HB THR 29 8.878 1.624 -5.370 206 HG1 THR 29 HG1 THR 29 10.672 2.298 -3.940 207 HG21 THR 29 HG21 THR 29 9.853 -1.090 -4.376 208 HG22 THR 29 HG22 THR 29 8.710 -0.844 -5.699 209 HG23 THR 29 HG23 THR 29 8.270 -0.376 -4.056 210 H PHE 30 HN PHE 30 10.761 -1.387 -7.022 211 HA PHE 30 HA PHE 30 9.723 -0.577 -9.670 212 HB2 PHE 30 HB2 PHE 30 10.601 -2.741 -10.513 213 HB3 PHE 30 HB1 PHE 30 11.873 -1.785 -9.777 214 HD1 PHE 30 HD1 PHE 30 10.177 -4.992 -9.759 215 HD2 PHE 30 HD2 PHE 30 12.677 -2.428 -7.429 216 HE1 PHE 30 HE1 PHE 30 10.829 -6.902 -8.349 217 HE2 PHE 30 HE2 PHE 30 13.328 -4.338 -6.026 218 HZ PHE 30 HZ PHE 30 12.405 -6.573 -6.481 219 H ARG 31 HN ARG 31 7.661 -0.958 -10.032 220 HA ARG 31 HA ARG 31 6.271 -3.343 -9.363 221 HB2 ARG 31 HB2 ARG 31 6.220 -2.201 -7.124 222 HB3 ARG 31 HB1 ARG 31 5.368 -0.848 -7.852 223 HG2 ARG 31 HG2 ARG 31 3.803 -2.278 -6.637 224 HG3 ARG 31 HG1 ARG 31 3.442 -2.335 -8.361 225 HD2 ARG 31 HD2 ARG 31 5.080 -4.467 -6.929 226 HD3 ARG 31 HD1 ARG 31 3.333 -4.571 -7.134 227 HE ARG 31 HE ARG 31 3.869 -4.400 -9.631 228 HH11 ARG 31 HH11 ARG 31 6.065 -5.956 -7.377 229 HH12 ARG 31 HH12 ARG 31 6.715 -7.028 -8.572 230 HH21 ARG 31 HH21 ARG 31 4.788 -5.773 -11.189 231 HH22 ARG 31 HH22 ARG 31 5.991 -6.926 -10.720 232 H SER 32 HN SER 32 6.300 -0.050 -10.546 233 HA SER 32 HA SER 32 3.859 -0.022 -11.970 234 HB2 SER 32 HB2 SER 32 6.413 1.440 -12.769 235 HB3 SER 32 HB1 SER 32 4.750 1.931 -13.085 236 HG SER 32 HG SER 32 4.734 2.862 -11.225 237 H ASN 33 HN ASN 33 3.567 -1.959 -13.113 238 HA ASN 33 HA ASN 33 5.477 -2.899 -15.102 239 HB2 ASN 33 HB2 ASN 33 2.659 -3.785 -14.350 240 HB3 ASN 33 HB1 ASN 33 3.577 -4.526 -15.658 241 HD21 ASN 33 HD21 ASN 33 3.514 -6.526 -14.592 242 HD22 ASN 33 HD22 ASN 33 4.493 -6.862 -13.212 243 H ALA 34 HN ALA 34 2.522 -1.021 -14.963 244 HA ALA 34 HA ALA 34 2.662 -0.455 -17.869 245 HB1 ALA 34 HB1 ALA 34 0.784 -2.004 -17.446 246 HB2 ALA 34 HB2 ALA 34 0.196 -0.422 -17.954 247 HB3 ALA 34 HB3 ALA 34 0.116 -0.889 -16.254 248 H MET 35 HN MET 35 3.003 1.606 -18.164 249 HA MET 35 HA MET 35 1.970 3.691 -16.363 250 HB2 MET 35 HB2 MET 35 4.626 3.673 -17.883 251 HB3 MET 35 HB1 MET 35 3.969 5.082 -17.056 252 HG2 MET 35 HG2 MET 35 5.670 4.104 -15.676 253 HG3 MET 35 HG1 MET 35 4.112 3.828 -14.905 254 HE1 MET 35 HE1 MET 35 5.479 1.744 -18.013 255 HE2 MET 35 HE2 MET 35 6.377 0.480 -17.174 256 HE3 MET 35 HE3 MET 35 6.946 2.146 -17.119 257 H GLY 36 HN GLY 36 1.624 5.770 -17.504 258 HA2 GLY 36 HA2 GLY 36 1.484 5.761 -20.411 259 HA3 GLY 36 HA1 GLY 36 -0.077 5.807 -19.590 260 H TRP 37 HN TRP 37 1.776 7.778 -21.169 261 HA TRP 37 HA TRP 37 1.664 10.080 -19.346 262 HB2 TRP 37 HB2 TRP 37 2.765 9.827 -22.191 263 HB3 TRP 37 HB1 TRP 37 2.772 11.313 -21.246 264 HD1 TRP 37 HD1 TRP 37 4.676 8.042 -21.670 265 HE1 TRP 37 HE1 TRP 37 6.784 8.101 -20.200 266 HE3 TRP 37 HE3 TRP 37 3.659 12.264 -18.926 267 HZ2 TRP 37 HZ2 TRP 37 7.871 9.695 -18.143 268 HZ3 TRP 37 HZ3 TRP 37 5.295 12.985 -17.223 269 HH2 TRP 37 HH2 TRP 37 7.360 11.723 -16.842 270 H PHE 38 HN PHE 38 -0.120 11.230 -19.284 271 HA PHE 38 HA PHE 38 -1.805 11.608 -21.701 272 HB2 PHE 38 HB2 PHE 38 -2.742 11.571 -18.781 273 HB3 PHE 38 HB1 PHE 38 -3.760 11.905 -20.175 274 HD1 PHE 38 HD1 PHE 38 -1.854 9.247 -18.405 275 HD2 PHE 38 HD2 PHE 38 -4.680 10.103 -21.501 276 HE1 PHE 38 HE1 PHE 38 -2.389 6.854 -18.583 277 HE2 PHE 38 HE2 PHE 38 -5.205 7.708 -21.673 278 HZ PHE 38 HZ PHE 38 -4.062 6.082 -20.219 279 H ARG 39 HN ARG 39 -2.841 13.765 -21.760 280 HA ARG 39 HA ARG 39 -1.675 15.818 -19.991 281 HB2 ARG 39 HB2 ARG 39 -1.151 17.320 -21.829 282 HB3 ARG 39 HB1 ARG 39 -0.292 15.805 -22.071 283 HG2 ARG 39 HG2 ARG 39 -1.837 15.128 -23.821 284 HG3 ARG 39 HG1 ARG 39 -2.881 16.514 -23.502 285 HD2 ARG 39 HD2 ARG 39 -1.053 18.030 -24.198 286 HD3 ARG 39 HD1 ARG 39 -0.045 16.624 -24.545 287 HE ARG 39 HE ARG 39 -2.552 16.585 -25.959 288 HH11 ARG 39 HH11 ARG 39 0.753 17.730 -26.077 289 HH12 ARG 39 HH12 ARG 39 0.721 18.055 -27.774 290 HH21 ARG 39 HH21 ARG 39 -2.592 17.011 -28.209 291 HH22 ARG 39 HH22 ARG 39 -1.179 17.645 -28.979 292 H GLN 40 HN GLN 40 -3.206 17.236 -19.301 293 HA GLN 40 HA GLN 40 -5.836 17.306 -20.665 294 HB2 GLN 40 HB2 GLN 40 -5.941 16.945 -18.237 295 HB3 GLN 40 HB1 GLN 40 -4.952 18.362 -17.941 296 HG2 GLN 40 HG2 GLN 40 -7.220 18.932 -17.422 297 HG3 GLN 40 HG1 GLN 40 -6.776 19.787 -18.898 298 HE21 GLN 40 HE21 GLN 40 -8.886 20.045 -19.599 299 HE22 GLN 40 HE22 GLN 40 -9.873 18.738 -20.136 300 H ALA 41 HN ALA 41 -6.380 19.057 -21.878 301 HA ALA 41 HA ALA 41 -4.336 21.132 -22.273 302 HB1 ALA 41 HB1 ALA 41 -5.095 19.883 -24.247 303 HB2 ALA 41 HB2 ALA 41 -5.520 21.590 -24.387 304 HB3 ALA 41 HB3 ALA 41 -6.757 20.400 -23.961 305 HA PRO 42 HA PRO 42 -6.881 24.266 -20.183 306 HB2 PRO 42 HB2 PRO 42 -5.548 26.230 -22.033 307 HB3 PRO 42 HB1 PRO 42 -5.607 26.210 -20.263 308 HG2 PRO 42 HG2 PRO 42 -3.358 25.540 -21.554 309 HG3 PRO 42 HG1 PRO 42 -3.854 24.671 -20.085 310 HD2 PRO 42 HD2 PRO 42 -4.156 23.831 -22.976 311 HD3 PRO 42 HD1 PRO 42 -3.613 22.878 -21.575 312 H GLY 43 HN GLY 43 -8.942 23.832 -20.877 313 HA2 GLY 43 HA2 GLY 43 -10.909 24.734 -21.811 314 HA3 GLY 43 HA1 GLY 43 -9.982 25.414 -23.136 315 H LYS 44 HN LYS 44 -8.987 22.237 -22.681 316 HA LYS 44 HA LYS 44 -11.049 21.016 -24.402 317 HB2 LYS 44 HB2 LYS 44 -8.081 21.146 -25.071 318 HB3 LYS 44 HB1 LYS 44 -9.136 19.931 -25.774 319 HG2 LYS 44 HG2 LYS 44 -9.767 22.880 -26.097 320 HG3 LYS 44 HG1 LYS 44 -8.581 22.091 -27.132 321 HD2 LYS 44 HD2 LYS 44 -10.642 22.064 -28.339 322 HD3 LYS 44 HD1 LYS 44 -10.380 20.416 -27.779 323 HE2 LYS 44 HE2 LYS 44 -12.007 20.805 -25.945 324 HE3 LYS 44 HE1 LYS 44 -12.277 22.445 -26.537 325 HZ1 LYS 44 HZ1 LYS 44 -12.784 19.977 -28.097 326 HZ2 LYS 44 HZ2 LYS 44 -13.160 21.558 -28.558 327 HZ3 LYS 44 HZ3 LYS 44 -13.960 20.843 -27.255 328 H GLU 45 HN GLU 45 -11.094 18.739 -24.324 329 HA GLU 45 HA GLU 45 -10.611 17.532 -21.813 330 HB2 GLU 45 HB2 GLU 45 -11.436 15.458 -22.901 331 HB3 GLU 45 HB1 GLU 45 -12.450 16.844 -23.288 332 HG2 GLU 45 HG2 GLU 45 -11.191 17.021 -25.490 333 HG3 GLU 45 HG1 GLU 45 -10.421 15.486 -25.089 334 H ARG 46 HN ARG 46 -9.360 15.419 -21.508 335 HA ARG 46 HA ARG 46 -6.620 15.975 -22.122 336 HB2 ARG 46 HB2 ARG 46 -5.978 14.298 -20.592 337 HB3 ARG 46 HB1 ARG 46 -7.422 15.011 -19.909 338 HG2 ARG 46 HG2 ARG 46 -7.322 12.331 -21.338 339 HG3 ARG 46 HG1 ARG 46 -7.243 12.546 -19.592 340 HD2 ARG 46 HD2 ARG 46 -9.487 12.003 -19.915 341 HD3 ARG 46 HD1 ARG 46 -9.551 13.768 -19.900 342 HE ARG 46 HE ARG 46 -9.210 12.728 -22.538 343 HH11 ARG 46 HH11 ARG 46 -11.675 13.420 -20.148 344 HH12 ARG 46 HH12 ARG 46 -12.958 13.398 -21.312 345 HH21 ARG 46 HH21 ARG 46 -10.851 12.728 -24.021 346 HH22 ARG 46 HH22 ARG 46 -12.485 13.017 -23.520 347 H GLU 47 HN GLU 47 -5.121 14.656 -23.159 348 HA GLU 47 HA GLU 47 -6.181 12.913 -25.288 349 HB2 GLU 47 HB2 GLU 47 -5.386 15.134 -26.130 350 HB3 GLU 47 HB1 GLU 47 -3.803 14.825 -25.432 351 HG2 GLU 47 HG2 GLU 47 -3.747 14.405 -27.822 352 HG3 GLU 47 HG1 GLU 47 -3.511 12.894 -26.946 353 H PHE 48 HN PHE 48 -5.291 10.975 -25.432 354 HA PHE 48 HA PHE 48 -3.313 9.949 -23.634 355 HB2 PHE 48 HB2 PHE 48 -5.089 8.490 -24.393 356 HB3 PHE 48 HB1 PHE 48 -4.743 8.831 -26.081 357 HD1 PHE 48 HD1 PHE 48 -3.314 7.387 -27.308 358 HD2 PHE 48 HD2 PHE 48 -3.291 7.204 -23.039 359 HE1 PHE 48 HE1 PHE 48 -1.907 5.376 -27.398 360 HE2 PHE 48 HE2 PHE 48 -1.889 5.195 -23.138 361 HZ PHE 48 HZ PHE 48 -1.196 4.281 -25.314 362 H VAL 49 HN VAL 49 -1.232 10.468 -23.849 363 HA VAL 49 HA VAL 49 -0.077 11.337 -26.395 364 HB VAL 49 HB VAL 49 1.204 11.235 -23.619 365 HG11 VAL 49 HG11 VAL 49 2.142 12.703 -26.125 366 HG12 VAL 49 HG12 VAL 49 2.913 11.293 -25.394 367 HG13 VAL 49 HG13 VAL 49 2.882 12.828 -24.525 368 HG21 VAL 49 HG21 VAL 49 0.725 13.655 -23.460 369 HG22 VAL 49 HG22 VAL 49 -0.761 12.718 -23.612 370 HG23 VAL 49 HG23 VAL 49 -0.127 13.596 -25.006 371 H ALA 50 HN ALA 50 0.603 8.915 -23.840 372 HA ALA 50 HA ALA 50 1.778 7.050 -25.725 373 HB1 ALA 50 HB1 ALA 50 3.668 8.585 -25.325 374 HB2 ALA 50 HB2 ALA 50 4.002 6.986 -24.659 375 HB3 ALA 50 HB3 ALA 50 3.537 8.312 -23.586 376 H ALA 51 HN ALA 51 2.432 5.025 -24.692 377 HA ALA 51 HA ALA 51 1.813 4.584 -21.881 378 HB1 ALA 51 HB1 ALA 51 0.444 2.908 -24.028 379 HB2 ALA 51 HB2 ALA 51 -0.344 4.074 -22.969 380 HB3 ALA 51 HB3 ALA 51 0.380 2.620 -22.285 381 H ILE 52 HN ILE 52 3.338 3.394 -21.023 382 HA ILE 52 HA ILE 52 5.033 1.611 -22.669 383 HB ILE 52 HB ILE 52 5.686 2.946 -19.980 384 HG12 ILE 52 HG12 ILE 52 7.611 4.031 -21.407 385 HG13 ILE 52 HG11 ILE 52 6.636 3.596 -22.804 386 HG21 ILE 52 HG21 ILE 52 7.446 1.110 -21.650 387 HG22 ILE 52 HG22 ILE 52 6.707 0.720 -20.098 388 HG23 ILE 52 HG23 ILE 52 7.954 1.963 -20.191 389 HD11 ILE 52 HD11 ILE 52 6.336 5.918 -22.155 390 HD12 ILE 52 HD12 ILE 52 5.787 5.425 -20.554 391 HD13 ILE 52 HD13 ILE 52 4.829 5.021 -21.982 392 H ARG 53 HN ARG 53 4.179 -0.411 -22.463 393 HA ARG 53 HA ARG 53 3.645 -1.410 -19.718 394 HB2 ARG 53 HB2 ARG 53 2.358 -2.372 -22.324 395 HB3 ARG 53 HB1 ARG 53 2.251 -3.235 -20.796 396 HG2 ARG 53 HG2 ARG 53 0.222 -2.099 -20.859 397 HG3 ARG 53 HG1 ARG 53 1.210 -1.041 -19.859 398 HD2 ARG 53 HD2 ARG 53 -0.024 0.343 -21.376 399 HD3 ARG 53 HD1 ARG 53 1.654 0.352 -21.926 400 HE ARG 53 HE ARG 53 0.983 -1.318 -23.617 401 HH11 ARG 53 HH11 ARG 53 -1.551 0.723 -22.271 402 HH12 ARG 53 HH12 ARG 53 -2.577 0.524 -23.653 403 HH21 ARG 53 HH21 ARG 53 -0.398 -1.570 -25.391 404 HH22 ARG 53 HH22 ARG 53 -1.929 -0.763 -25.414 405 H TRP 54 HN TRP 54 5.004 -2.906 -19.045 406 HA TRP 54 HA TRP 54 7.174 -3.861 -20.659 407 HB2 TRP 54 HB2 TRP 54 7.318 -3.336 -18.171 408 HB3 TRP 54 HB1 TRP 54 6.338 -4.764 -17.855 409 HD1 TRP 54 HD1 TRP 54 9.790 -3.868 -19.442 410 HE1 TRP 54 HE1 TRP 54 11.386 -5.838 -19.046 411 HE3 TRP 54 HE3 TRP 54 6.533 -7.155 -17.230 412 HZ2 TRP 54 HZ2 TRP 54 11.307 -8.427 -17.950 413 HZ3 TRP 54 HZ3 TRP 54 7.383 -9.362 -16.534 414 HH2 TRP 54 HH2 TRP 54 9.723 -9.983 -16.889 415 H SER 55 HN SER 55 6.062 -4.904 -22.345 416 HA SER 55 HA SER 55 5.289 -7.657 -22.021 417 HB2 SER 55 HB2 SER 55 3.191 -6.519 -21.289 418 HB3 SER 55 HB1 SER 55 3.144 -5.622 -22.804 419 HG SER 55 HG SER 55 2.634 -7.441 -23.885 420 H GLY 56 HN GLY 56 7.103 -5.744 -23.554 421 HA2 GLY 56 HA2 GLY 56 8.185 -5.920 -25.591 422 HA3 GLY 56 HA1 GLY 56 6.966 -7.063 -26.123 423 H GLY 57 HN GLY 57 6.236 -3.816 -24.913 424 HA2 GLY 57 HA2 GLY 57 5.545 -2.877 -27.659 425 HA3 GLY 57 HA1 GLY 57 4.478 -2.616 -26.281 426 H SER 58 HN SER 58 4.943 -1.005 -24.804 427 HA SER 58 HA SER 58 5.850 0.781 -23.776 428 HB2 SER 58 HB2 SER 58 8.450 -0.409 -24.808 429 HB3 SER 58 HB1 SER 58 8.356 0.891 -23.613 430 HG SER 58 HG SER 58 8.523 -1.079 -22.560 431 H THR 59 HN THR 59 4.760 1.355 -26.298 432 HA THR 59 HA THR 59 6.128 3.762 -27.140 433 HB THR 59 HB THR 59 6.085 2.888 -29.671 434 HG1 THR 59 HG1 THR 59 6.536 0.464 -28.235 435 HG21 THR 59 HG21 THR 59 8.161 3.647 -28.585 436 HG22 THR 59 HG22 THR 59 8.446 2.220 -29.582 437 HG23 THR 59 HG23 THR 59 8.354 2.061 -27.827 438 H TYR 60 HN TYR 60 4.531 5.130 -27.425 439 HA TYR 60 HA TYR 60 2.398 4.630 -29.316 440 HB2 TYR 60 HB2 TYR 60 1.804 5.159 -26.379 441 HB3 TYR 60 HB1 TYR 60 0.703 5.764 -27.613 442 HD1 TYR 60 HD1 TYR 60 1.735 2.826 -25.725 443 HD2 TYR 60 HD2 TYR 60 -0.415 4.120 -29.183 444 HE1 TYR 60 HE1 TYR 60 0.634 0.632 -25.868 445 HE2 TYR 60 HE2 TYR 60 -1.518 1.938 -29.316 446 HH TYR 60 HH TYR 60 -1.014 -0.419 -28.596 447 H TYR 61 HN TYR 61 2.344 6.309 -30.582 448 HA TYR 61 HA TYR 61 2.457 9.054 -29.782 449 HB2 TYR 61 HB2 TYR 61 4.544 9.582 -31.210 450 HB3 TYR 61 HB1 TYR 61 4.860 8.786 -29.676 451 HD1 TYR 61 HD1 TYR 61 5.984 6.642 -29.609 452 HD2 TYR 61 HD2 TYR 61 4.661 8.192 -33.370 453 HE1 TYR 61 HE1 TYR 61 7.234 4.876 -30.779 454 HE2 TYR 61 HE2 TYR 61 5.902 6.429 -34.532 455 HH TYR 61 HH TYR 61 7.208 3.711 -32.942 456 H ALA 62 HN ALA 62 2.063 10.477 -31.627 457 HA ALA 62 HA ALA 62 0.761 9.265 -33.923 458 HB1 ALA 62 HB1 ALA 62 1.411 12.185 -33.339 459 HB2 ALA 62 HB2 ALA 62 -0.111 11.371 -32.970 460 HB3 ALA 62 HB3 ALA 62 0.380 11.597 -34.649 461 H ASP 63 HN ASP 63 1.523 9.456 -36.110 462 HA ASP 63 HA ASP 63 4.325 9.137 -36.521 463 HB2 ASP 63 HB2 ASP 63 2.639 8.093 -37.999 464 HB3 ASP 63 HB1 ASP 63 2.112 9.682 -38.545 465 H SER 64 HN SER 64 2.175 11.866 -36.666 466 HA SER 64 HA SER 64 3.799 13.767 -37.999 467 HB2 SER 64 HB2 SER 64 2.223 15.422 -36.927 468 HB3 SER 64 HB1 SER 64 1.401 14.107 -37.766 469 HG SER 64 HG SER 64 0.840 14.801 -35.423 470 H VAL 65 HN VAL 65 3.781 12.567 -34.701 471 HA VAL 65 HA VAL 65 5.856 14.540 -33.910 472 HB VAL 65 HB VAL 65 5.243 14.228 -31.579 473 HG11 VAL 65 HG11 VAL 65 2.994 15.262 -31.559 474 HG12 VAL 65 HG12 VAL 65 2.778 14.822 -33.255 475 HG13 VAL 65 HG13 VAL 65 4.034 15.975 -32.797 476 HG21 VAL 65 HG21 VAL 65 3.116 12.260 -32.513 477 HG22 VAL 65 HG22 VAL 65 3.291 12.860 -30.862 478 HG23 VAL 65 HG23 VAL 65 4.562 11.872 -31.579 479 H LYS 66 HN LYS 66 5.886 11.695 -35.244 480 HA LYS 66 HA LYS 66 7.289 9.966 -33.463 481 HB2 LYS 66 HB2 LYS 66 6.099 9.063 -35.381 482 HB3 LYS 66 HB1 LYS 66 7.069 9.999 -36.504 483 HG2 LYS 66 HG2 LYS 66 8.605 8.108 -34.781 484 HG3 LYS 66 HG1 LYS 66 7.486 7.345 -35.903 485 HD2 LYS 66 HD2 LYS 66 9.557 9.387 -36.805 486 HD3 LYS 66 HD1 LYS 66 9.906 7.662 -36.702 487 HE2 LYS 66 HE2 LYS 66 9.344 8.184 -38.995 488 HE3 LYS 66 HE1 LYS 66 8.023 7.239 -38.317 489 HZ1 LYS 66 HZ1 LYS 66 6.763 9.275 -38.038 490 HZ2 LYS 66 HZ2 LYS 66 7.226 9.066 -39.642 491 HZ3 LYS 66 HZ3 LYS 66 8.039 10.185 -38.673 492 H GLY 67 HN GLY 67 9.327 10.091 -32.769 493 HA2 GLY 67 HA2 GLY 67 11.664 10.300 -32.916 494 HA3 GLY 67 HA1 GLY 67 11.504 11.195 -34.418 495 H ARG 68 HN ARG 68 9.456 12.951 -33.210 496 HA ARG 68 HA ARG 68 11.085 15.004 -31.996 497 HB2 ARG 68 HB2 ARG 68 8.064 14.818 -32.471 498 HB3 ARG 68 HB1 ARG 68 8.941 16.287 -32.047 499 HG2 ARG 68 HG2 ARG 68 9.997 16.409 -34.168 500 HG3 ARG 68 HG1 ARG 68 9.595 14.735 -34.556 501 HD2 ARG 68 HD2 ARG 68 8.234 16.319 -35.844 502 HD3 ARG 68 HD1 ARG 68 7.237 15.318 -34.794 503 HE ARG 68 HE ARG 68 7.484 17.457 -33.255 504 HH11 ARG 68 HH11 ARG 68 6.871 17.334 -36.711 505 HH12 ARG 68 HH12 ARG 68 5.935 18.792 -36.726 506 HH21 ARG 68 HH21 ARG 68 6.224 19.368 -33.296 507 HH22 ARG 68 HH22 ARG 68 5.570 19.938 -34.797 508 H PHE 69 HN PHE 69 8.260 13.102 -31.076 509 HA PHE 69 HA PHE 69 8.728 13.477 -28.197 510 HB2 PHE 69 HB2 PHE 69 6.265 12.615 -29.788 511 HB3 PHE 69 HB1 PHE 69 6.356 12.508 -28.031 512 HD1 PHE 69 HD1 PHE 69 7.201 15.164 -30.584 513 HD2 PHE 69 HD2 PHE 69 5.088 14.181 -26.999 514 HE1 PHE 69 HE1 PHE 69 6.370 17.467 -30.445 515 HE2 PHE 69 HE2 PHE 69 4.262 16.493 -26.872 516 HZ PHE 69 HZ PHE 69 4.902 18.129 -28.592 517 H THR 70 HN THR 70 9.626 11.815 -27.171 518 HA THR 70 HA THR 70 9.383 9.047 -28.133 519 HB THR 70 HB THR 70 11.893 8.778 -27.460 520 HG1 THR 70 HG1 THR 70 11.747 11.606 -27.776 521 HG21 THR 70 HG21 THR 70 11.256 10.379 -29.971 522 HG22 THR 70 HG22 THR 70 11.182 8.620 -29.820 523 HG23 THR 70 HG23 THR 70 12.732 9.453 -29.689 524 H ILE 71 HN ILE 71 9.663 7.494 -26.478 525 HA ILE 71 HA ILE 71 9.546 8.498 -23.693 526 HB ILE 71 HB ILE 71 7.931 6.650 -23.131 527 HG12 ILE 71 HG12 ILE 71 8.310 5.271 -25.272 528 HG13 ILE 71 HG11 ILE 71 6.645 5.436 -24.744 529 HG21 ILE 71 HG21 ILE 71 7.177 8.937 -23.305 530 HG22 ILE 71 HG22 ILE 71 5.925 7.835 -23.869 531 HG23 ILE 71 HG23 ILE 71 6.882 8.749 -25.037 532 HD11 ILE 71 HD11 ILE 71 6.246 7.092 -26.491 533 HD12 ILE 71 HD12 ILE 71 6.860 5.580 -27.157 534 HD13 ILE 71 HD13 ILE 71 7.933 6.971 -27.003 535 H SER 72 HN SER 72 10.402 7.179 -22.130 536 HA SER 72 HA SER 72 11.577 4.594 -22.741 537 HB2 SER 72 HB2 SER 72 13.313 6.974 -21.898 538 HB3 SER 72 HB1 SER 72 13.860 5.296 -21.931 539 HG SER 72 HG SER 72 12.967 5.585 -24.291 540 H ARG 73 HN ARG 73 12.598 3.687 -20.695 541 HA ARG 73 HA ARG 73 11.950 5.031 -18.185 542 HB2 ARG 73 HB2 ARG 73 9.971 3.561 -18.588 543 HB3 ARG 73 HB1 ARG 73 11.036 2.165 -18.746 544 HG2 ARG 73 HG2 ARG 73 11.795 2.544 -16.368 545 HG3 ARG 73 HG1 ARG 73 10.603 3.840 -16.238 546 HD2 ARG 73 HD2 ARG 73 9.739 1.805 -15.230 547 HD3 ARG 73 HD1 ARG 73 8.801 2.190 -16.676 548 HE ARG 73 HE ARG 73 10.833 0.440 -17.452 549 HH11 ARG 73 HH11 ARG 73 8.011 0.303 -15.369 550 HH12 ARG 73 HH12 ARG 73 7.772 -1.391 -15.611 551 HH21 ARG 73 HH21 ARG 73 10.486 -1.785 -17.767 552 HH22 ARG 73 HH22 ARG 73 9.173 -2.576 -16.955 553 H ASP 74 HN ASP 74 13.418 4.594 -16.638 554 HA ASP 74 HA ASP 74 15.641 2.720 -17.167 555 HB2 ASP 74 HB2 ASP 74 15.718 5.517 -15.932 556 HB3 ASP 74 HB1 ASP 74 17.078 4.399 -15.928 557 H ASN 75 HN ASN 75 15.019 1.071 -15.839 558 HA ASN 75 HA ASN 75 13.820 1.375 -13.256 559 HB2 ASN 75 HB2 ASN 75 13.471 -0.623 -14.726 560 HB3 ASN 75 HB1 ASN 75 15.150 -1.087 -14.487 561 HD21 ASN 75 HD21 ASN 75 15.744 -2.070 -12.527 562 HD22 ASN 75 HD22 ASN 75 14.586 -2.582 -11.351 563 H ALA 76 HN ALA 76 17.037 1.606 -14.360 564 HA ALA 76 HA ALA 76 18.688 0.758 -12.319 565 HB1 ALA 76 HB1 ALA 76 19.486 1.659 -14.470 566 HB2 ALA 76 HB2 ALA 76 20.297 2.444 -13.113 567 HB3 ALA 76 HB3 ALA 76 19.005 3.285 -13.979 568 H LYS 77 HN LYS 77 16.963 3.875 -12.544 569 HA LYS 77 HA LYS 77 17.208 4.203 -9.608 570 HB2 LYS 77 HB2 LYS 77 17.065 6.662 -9.892 571 HB3 LYS 77 HB1 LYS 77 18.510 5.986 -10.620 572 HG2 LYS 77 HG2 LYS 77 16.043 6.684 -12.241 573 HG3 LYS 77 HG1 LYS 77 17.313 7.856 -11.882 574 HD2 LYS 77 HD2 LYS 77 18.967 6.301 -13.000 575 HD3 LYS 77 HD1 LYS 77 17.605 5.277 -13.474 576 HE2 LYS 77 HE2 LYS 77 18.224 6.721 -15.332 577 HE3 LYS 77 HE1 LYS 77 16.640 7.210 -14.731 578 HZ1 LYS 77 HZ1 LYS 77 17.978 9.127 -15.151 579 HZ2 LYS 77 HZ2 LYS 77 19.230 8.544 -14.182 580 HZ3 LYS 77 HZ3 LYS 77 17.763 8.988 -13.479 581 H ASN 78 HN ASN 78 15.140 3.313 -11.920 582 HA ASN 78 HA ASN 78 12.923 3.103 -12.201 583 HB2 ASN 78 HB2 ASN 78 12.809 3.768 -9.233 584 HB3 ASN 78 HB1 ASN 78 11.458 3.124 -10.163 585 HD21 ASN 78 HD21 ASN 78 11.550 0.944 -10.866 586 HD22 ASN 78 HD22 ASN 78 12.657 -0.186 -10.178 587 H THR 79 HN THR 79 13.303 5.036 -13.552 588 HA THR 79 HA THR 79 11.331 7.119 -12.902 589 HB THR 79 HB THR 79 14.162 7.739 -13.899 590 HG1 THR 79 HG1 THR 79 13.018 7.708 -11.391 591 HG21 THR 79 HG21 THR 79 12.514 9.285 -14.914 592 HG22 THR 79 HG22 THR 79 13.512 10.122 -13.725 593 HG23 THR 79 HG23 THR 79 11.861 9.652 -13.312 594 H VAL 80 HN VAL 80 10.072 7.589 -14.623 595 HA VAL 80 HA VAL 80 10.585 6.343 -17.238 596 HB VAL 80 HB VAL 80 7.972 7.585 -16.241 597 HG11 VAL 80 HG11 VAL 80 8.491 5.657 -18.546 598 HG12 VAL 80 HG12 VAL 80 8.091 7.372 -18.694 599 HG13 VAL 80 HG13 VAL 80 6.903 6.244 -18.038 600 HG21 VAL 80 HG21 VAL 80 7.177 5.297 -15.711 601 HG22 VAL 80 HG22 VAL 80 8.557 5.754 -14.710 602 HG23 VAL 80 HG23 VAL 80 8.781 4.655 -16.073 603 H TYR 81 HN TYR 81 10.875 7.624 -19.022 604 HA TYR 81 HA TYR 81 10.883 10.566 -18.667 605 HB2 TYR 81 HB2 TYR 81 12.652 8.777 -20.392 606 HB3 TYR 81 HB1 TYR 81 12.652 10.537 -20.486 607 HD1 TYR 81 HD1 TYR 81 13.693 7.631 -18.469 608 HD2 TYR 81 HD2 TYR 81 13.572 11.900 -18.647 609 HE1 TYR 81 HE1 TYR 81 15.341 7.754 -16.648 610 HE2 TYR 81 HE2 TYR 81 15.214 12.021 -16.831 611 HH TYR 81 HH TYR 81 16.020 10.657 -14.987 612 H LEU 82 HN LEU 82 10.081 11.857 -20.211 613 HA LEU 82 HA LEU 82 9.082 10.781 -22.768 614 HB2 LEU 82 HB2 LEU 82 7.103 11.157 -21.390 615 HB3 LEU 82 HB1 LEU 82 7.691 12.730 -20.885 616 HG LEU 82 HG LEU 82 7.375 13.589 -23.206 617 HD11 LEU 82 HD11 LEU 82 7.634 11.512 -24.477 618 HD12 LEU 82 HD12 LEU 82 6.124 12.328 -24.877 619 HD13 LEU 82 HD13 LEU 82 6.106 10.909 -23.825 620 HD21 LEU 82 HD21 LEU 82 5.618 13.914 -21.536 621 HD22 LEU 82 HD22 LEU 82 4.876 12.376 -21.989 622 HD23 LEU 82 HD23 LEU 82 4.927 13.711 -23.144 623 H GLN 83 HN GLN 83 10.790 11.534 -23.949 624 HA GLN 83 HA GLN 83 11.827 14.230 -23.606 625 HB2 GLN 83 HB2 GLN 83 13.370 12.349 -24.180 626 HB3 GLN 83 HB1 GLN 83 12.524 12.124 -25.701 627 HG2 GLN 83 HG2 GLN 83 14.613 13.348 -26.040 628 HG3 GLN 83 HG1 GLN 83 13.228 14.357 -26.457 629 HE21 GLN 83 HE21 GLN 83 12.745 16.175 -25.141 630 HE22 GLN 83 HE22 GLN 83 13.866 16.793 -23.979 631 H MET 84 HN MET 84 10.251 15.612 -24.155 632 HA MET 84 HA MET 84 8.888 15.517 -26.732 633 HB2 MET 84 HB2 MET 84 8.836 17.481 -24.391 634 HB3 MET 84 HB1 MET 84 7.914 17.720 -25.864 635 HG2 MET 84 HG2 MET 84 6.637 15.684 -25.440 636 HG3 MET 84 HG1 MET 84 7.607 15.358 -24.006 637 HE1 MET 84 HE1 MET 84 5.156 18.094 -25.614 638 HE2 MET 84 HE2 MET 84 6.469 19.065 -24.945 639 HE3 MET 84 HE3 MET 84 4.871 19.115 -24.205 640 H ASN 85 HN ASN 85 9.502 16.712 -28.490 641 HA ASN 85 HA ASN 85 11.356 18.952 -28.332 642 HB2 ASN 85 HB2 ASN 85 12.849 16.879 -28.464 643 HB3 ASN 85 HB1 ASN 85 12.093 16.515 -30.011 644 HD21 ASN 85 HD21 ASN 85 14.167 16.592 -30.965 645 HD22 ASN 85 HD22 ASN 85 14.941 18.092 -31.318 646 H SER 86 HN SER 86 11.572 20.008 -30.442 647 HA SER 86 HA SER 86 10.680 21.063 -32.209 648 HB2 SER 86 HB2 SER 86 11.244 18.905 -33.342 649 HB3 SER 86 HB1 SER 86 9.637 18.291 -32.962 650 HG SER 86 HG SER 86 8.883 20.215 -34.210 651 H LEU 87 HN LEU 87 9.369 21.626 -30.068 652 HA LEU 87 HA LEU 87 6.747 20.548 -29.783 653 HB2 LEU 87 HB2 LEU 87 8.072 22.899 -28.384 654 HB3 LEU 87 HB1 LEU 87 6.544 22.164 -27.898 655 HG LEU 87 HG LEU 87 9.286 20.847 -27.864 656 HD11 LEU 87 HD11 LEU 87 8.913 22.364 -25.989 657 HD12 LEU 87 HD12 LEU 87 8.971 20.688 -25.452 658 HD13 LEU 87 HD13 LEU 87 7.417 21.522 -25.576 659 HD21 LEU 87 HD21 LEU 87 7.654 19.207 -28.597 660 HD22 LEU 87 HD22 LEU 87 6.600 19.593 -27.233 661 HD23 LEU 87 HD23 LEU 87 8.181 18.859 -26.958 662 H LYS 88 HN LYS 88 4.825 21.334 -30.262 663 HA LYS 88 HA LYS 88 4.546 23.728 -31.928 664 HB2 LYS 88 HB2 LYS 88 2.602 21.497 -31.161 665 HB3 LYS 88 HB1 LYS 88 2.185 22.852 -32.200 666 HG2 LYS 88 HG2 LYS 88 4.264 20.724 -32.796 667 HG3 LYS 88 HG1 LYS 88 2.647 20.830 -33.506 668 HD2 LYS 88 HD2 LYS 88 4.904 22.850 -33.854 669 HD3 LYS 88 HD1 LYS 88 4.354 21.684 -35.058 670 HE2 LYS 88 HE2 LYS 88 2.762 24.035 -33.963 671 HE3 LYS 88 HE1 LYS 88 3.461 23.898 -35.575 672 HZ1 LYS 88 HZ1 LYS 88 1.988 21.954 -35.927 673 HZ2 LYS 88 HZ2 LYS 88 1.160 23.410 -35.712 674 HZ3 LYS 88 HZ3 LYS 88 1.237 22.290 -34.449 675 HA PRO 89 HA PRO 89 3.003 26.277 -28.550 676 HB2 PRO 89 HB2 PRO 89 0.901 27.627 -29.824 677 HB3 PRO 89 HB1 PRO 89 2.607 28.076 -29.931 678 HG2 PRO 89 HG2 PRO 89 0.942 26.456 -31.849 679 HG3 PRO 89 HG1 PRO 89 2.136 27.727 -32.197 680 HD2 PRO 89 HD2 PRO 89 2.764 25.135 -32.478 681 HD3 PRO 89 HD1 PRO 89 3.957 26.291 -31.840 682 H GLU 90 HN GLU 90 0.842 24.078 -30.235 683 HA GLU 90 HA GLU 90 -1.294 24.158 -28.271 684 HB2 GLU 90 HB2 GLU 90 -2.210 22.164 -29.559 685 HB3 GLU 90 HB1 GLU 90 -2.058 23.661 -30.462 686 HG2 GLU 90 HG2 GLU 90 0.258 21.781 -30.686 687 HG3 GLU 90 HG1 GLU 90 -1.257 21.218 -31.391 688 H ASP 91 HN ASP 91 1.759 22.820 -28.153 689 HA ASP 91 HA ASP 91 1.077 20.678 -26.280 690 HB2 ASP 91 HB2 ASP 91 3.743 21.850 -27.181 691 HB3 ASP 91 HB1 ASP 91 3.622 20.602 -25.944 692 H THR 92 HN THR 92 0.447 23.686 -25.904 693 HA THR 92 HA THR 92 1.329 24.072 -23.183 694 HB THR 92 HB THR 92 -0.891 25.356 -24.839 695 HG1 THR 92 HG1 THR 92 0.919 26.243 -25.571 696 HG21 THR 92 HG21 THR 92 0.077 26.133 -22.059 697 HG22 THR 92 HG22 THR 92 -1.517 25.479 -22.447 698 HG23 THR 92 HG23 THR 92 -1.044 27.070 -23.048 699 H ALA 93 HN ALA 93 0.743 22.486 -21.789 700 HA ALA 93 HA ALA 93 -1.988 21.870 -21.157 701 HB1 ALA 93 HB1 ALA 93 -1.931 19.454 -21.722 702 HB2 ALA 93 HB2 ALA 93 -0.338 19.654 -22.456 703 HB3 ALA 93 HB3 ALA 93 -1.745 20.442 -23.172 704 H VAL 94 HN VAL 94 -1.983 19.942 -19.481 705 HA VAL 94 HA VAL 94 0.500 20.013 -17.858 706 HB VAL 94 HB VAL 94 -1.318 20.927 -16.568 707 HG11 VAL 94 HG11 VAL 94 -3.419 19.757 -16.047 708 HG12 VAL 94 HG12 VAL 94 -2.959 18.440 -17.128 709 HG13 VAL 94 HG13 VAL 94 -3.255 20.051 -17.782 710 HG21 VAL 94 HG21 VAL 94 0.255 19.495 -15.334 711 HG22 VAL 94 HG22 VAL 94 -0.775 18.089 -15.618 712 HG23 VAL 94 HG23 VAL 94 -1.356 19.418 -14.612 713 H TYR 95 HN TYR 95 1.701 18.330 -18.382 714 HA TYR 95 HA TYR 95 0.592 15.789 -19.258 715 HB2 TYR 95 HB2 TYR 95 3.411 16.891 -19.036 716 HB3 TYR 95 HB1 TYR 95 3.140 15.173 -19.276 717 HD1 TYR 95 HD1 TYR 95 2.813 14.315 -21.470 718 HD2 TYR 95 HD2 TYR 95 2.356 18.509 -20.808 719 HE1 TYR 95 HE1 TYR 95 2.655 14.680 -23.888 720 HE2 TYR 95 HE2 TYR 95 2.204 18.867 -23.238 721 HH TYR 95 HH TYR 95 2.927 17.695 -25.341 722 H LEU 96 HN LEU 96 -0.089 14.405 -17.778 723 HA LEU 96 HA LEU 96 1.342 14.123 -15.210 724 HB2 LEU 96 HB2 LEU 96 -0.736 13.058 -14.359 725 HB3 LEU 96 HB1 LEU 96 -0.980 14.705 -14.898 726 HG LEU 96 HG LEU 96 -1.843 13.529 -17.140 727 HD11 LEU 96 HD11 LEU 96 -1.312 11.229 -16.536 728 HD12 LEU 96 HD12 LEU 96 -3.044 11.431 -16.767 729 HD13 LEU 96 HD13 LEU 96 -2.382 11.320 -15.133 730 HD21 LEU 96 HD21 LEU 96 -3.569 13.677 -14.645 731 HD22 LEU 96 HD22 LEU 96 -4.153 13.625 -16.311 732 HD23 LEU 96 HD23 LEU 96 -3.216 15.006 -15.753 733 H CYS 97 HN CYS 97 2.166 12.181 -14.662 734 HA CYS 97 HA CYS 97 2.223 10.007 -16.613 735 HB2 CYS 97 HB2 CYS 97 4.342 10.661 -15.503 736 HB3 CYS 97 HB1 CYS 97 3.639 10.295 -13.930 737 HG CYS 97 HG CYS 97 4.769 7.999 -13.982 738 H ALA 98 HN ALA 98 1.394 7.998 -16.129 739 HA ALA 98 HA ALA 98 -0.427 7.749 -13.808 740 HB1 ALA 98 HB1 ALA 98 -1.157 7.119 -16.700 741 HB2 ALA 98 HB2 ALA 98 -1.730 8.509 -15.773 742 HB3 ALA 98 HB3 ALA 98 -2.177 6.882 -15.279 743 H ALA 99 HN ALA 99 -0.972 5.497 -13.342 744 HA ALA 99 HA ALA 99 0.767 3.424 -14.491 745 HB1 ALA 99 HB1 ALA 99 0.651 4.014 -11.509 746 HB2 ALA 99 HB2 ALA 99 2.027 4.325 -12.568 747 HB3 ALA 99 HB3 ALA 99 1.506 2.665 -12.267 748 H GLY 100 HN GLY 100 -0.451 1.688 -14.906 749 HA2 GLY 100 HA2 GLY 100 -2.805 0.991 -13.268 750 HA3 GLY 100 HA1 GLY 100 -3.016 1.305 -14.990 751 H VAL 101 HN VAL 101 -3.744 -0.802 -15.332 752 HA VAL 101 HA VAL 101 -1.641 -2.737 -15.824 753 HB VAL 101 HB VAL 101 -2.250 -3.254 -13.473 754 HG11 VAL 101 HG11 VAL 101 -4.503 -4.081 -12.852 755 HG12 VAL 101 HG12 VAL 101 -5.088 -3.706 -14.475 756 HG13 VAL 101 HG13 VAL 101 -4.547 -2.406 -13.410 757 HG21 VAL 101 HG21 VAL 101 -1.538 -5.128 -14.903 758 HG22 VAL 101 HG22 VAL 101 -3.207 -5.416 -15.396 759 HG23 VAL 101 HG23 VAL 101 -2.727 -5.679 -13.718 760 H TRP 102 HN TRP 102 -2.157 -4.109 -17.511 761 HA TRP 102 HA TRP 102 -4.502 -3.811 -19.090 762 HB2 TRP 102 HB2 TRP 102 -2.320 -4.694 -19.986 763 HB3 TRP 102 HB1 TRP 102 -2.532 -6.157 -19.028 764 HD1 TRP 102 HD1 TRP 102 -4.507 -7.889 -19.863 765 HE1 TRP 102 HE1 TRP 102 -5.635 -8.195 -22.143 766 HE3 TRP 102 HE3 TRP 102 -3.049 -3.531 -22.088 767 HZ2 TRP 102 HZ2 TRP 102 -5.882 -6.797 -24.568 768 HZ3 TRP 102 HZ3 TRP 102 -3.766 -3.088 -24.396 769 HH2 TRP 102 HH2 TRP 102 -5.154 -4.692 -25.613 770 H ARG 103 HN ARG 103 -6.457 -4.320 -18.256 771 HA ARG 103 HA ARG 103 -6.830 -6.190 -16.094 772 HB2 ARG 103 HB2 ARG 103 -8.912 -4.726 -17.772 773 HB3 ARG 103 HB1 ARG 103 -9.206 -5.542 -16.239 774 HG2 ARG 103 HG2 ARG 103 -7.644 -3.895 -15.137 775 HG3 ARG 103 HG1 ARG 103 -7.544 -3.037 -16.680 776 HD2 ARG 103 HD2 ARG 103 -10.096 -2.840 -16.584 777 HD3 ARG 103 HD1 ARG 103 -9.992 -3.430 -14.926 778 HE ARG 103 HE ARG 103 -9.395 -0.814 -15.891 779 HH11 ARG 103 HH11 ARG 103 -8.708 -2.992 -13.215 780 HH12 ARG 103 HH12 ARG 103 -8.048 -1.731 -12.225 781 HH21 ARG 103 HH21 ARG 103 -8.524 0.787 -14.598 782 HH22 ARG 103 HH22 ARG 103 -7.960 0.403 -13.008 783 H SER 104 HN SER 104 -8.599 -7.843 -16.169 784 HA SER 104 HA SER 104 -8.304 -9.802 -18.201 785 HB2 SER 104 HB2 SER 104 -10.471 -9.488 -16.075 786 HB3 SER 104 HB1 SER 104 -10.205 -10.943 -17.041 787 HG SER 104 HG SER 104 -8.835 -11.475 -15.566 788 H SER 105 HN SER 105 -10.485 -7.092 -17.772 789 HA SER 105 HA SER 105 -12.413 -7.704 -19.784 790 HB2 SER 105 HB2 SER 105 -12.983 -5.264 -19.572 791 HB3 SER 105 HB1 SER 105 -12.871 -6.075 -18.009 792 HG SER 105 HG SER 105 -11.758 -3.968 -18.272 793 H GLY 106 HN GLY 106 -9.142 -6.703 -19.964 794 HA2 GLY 106 HA2 GLY 106 -7.832 -6.738 -21.915 795 HA3 GLY 106 HA1 GLY 106 -9.275 -6.503 -22.890 796 H TRP 107 HN TRP 107 -9.404 -4.342 -20.367 797 HA TRP 107 HA TRP 107 -8.468 -2.112 -22.037 798 HB2 TRP 107 HB2 TRP 107 -10.093 -2.095 -19.451 799 HB3 TRP 107 HB1 TRP 107 -9.706 -0.681 -20.430 800 HD1 TRP 107 HD1 TRP 107 -12.372 -3.220 -19.990 801 HE1 TRP 107 HE1 TRP 107 -14.056 -3.119 -21.923 802 HE3 TRP 107 HE3 TRP 107 -9.725 -0.278 -23.238 803 HZ2 TRP 107 HZ2 TRP 107 -14.260 -1.958 -24.477 804 HZ3 TRP 107 HZ3 TRP 107 -10.742 0.284 -25.406 805 HH2 TRP 107 HH2 TRP 107 -12.967 -0.538 -26.017 806 H ASP 108 HN ASP 108 -6.300 -1.729 -21.783 807 HA ASP 108 HA ASP 108 -5.003 -1.759 -19.193 808 HB2 ASP 108 HB2 ASP 108 -3.693 -2.176 -21.277 809 HB3 ASP 108 HB1 ASP 108 -4.030 -0.537 -21.819 810 H THR 109 HN THR 109 -5.605 -0.279 -17.754 811 HA THR 109 HA THR 109 -6.115 2.514 -18.552 812 HB THR 109 HB THR 109 -8.163 2.462 -16.970 813 HG1 THR 109 HG1 THR 109 -7.687 -0.318 -17.305 814 HG21 THR 109 HG21 THR 109 -8.363 0.853 -19.547 815 HG22 THR 109 HG22 THR 109 -8.458 2.613 -19.413 816 HG23 THR 109 HG23 THR 109 -9.710 1.601 -18.690 817 HA PRO 110 HA PRO 110 -3.606 3.228 -14.911 818 HB2 PRO 110 HB2 PRO 110 -4.105 5.887 -14.507 819 HB3 PRO 110 HB1 PRO 110 -3.097 5.284 -15.830 820 HG2 PRO 110 HG2 PRO 110 -5.994 6.118 -15.881 821 HG3 PRO 110 HG1 PRO 110 -4.697 6.516 -17.031 822 HD2 PRO 110 HD2 PRO 110 -6.516 4.548 -17.520 823 HD3 PRO 110 HD1 PRO 110 -4.839 4.448 -18.103 824 H ASP 111 HN ASP 111 -3.999 2.632 -12.899 825 HA ASP 111 HA ASP 111 -6.552 3.149 -11.541 826 HB2 ASP 111 HB2 ASP 111 -4.111 1.494 -10.750 827 HB3 ASP 111 HB1 ASP 111 -5.554 1.659 -9.751 828 H TYR 112 HN TYR 112 -3.183 4.054 -11.464 829 HA TYR 112 HA TYR 112 -3.623 5.994 -9.275 830 HB2 TYR 112 HB2 TYR 112 -1.007 4.611 -10.064 831 HB3 TYR 112 HB1 TYR 112 -1.208 5.761 -8.746 832 HD1 TYR 112 HD1 TYR 112 -2.379 5.087 -6.650 833 HD2 TYR 112 HD2 TYR 112 -1.744 2.277 -9.815 834 HE1 TYR 112 HE1 TYR 112 -2.915 3.239 -5.120 835 HE2 TYR 112 HE2 TYR 112 -2.280 0.433 -8.279 836 HH TYR 112 HH TYR 112 -2.339 -0.057 -5.933 837 H TRP 113 HN TRP 113 -2.628 8.035 -9.525 838 HA TRP 113 HA TRP 113 -1.433 8.748 -12.125 839 HB2 TRP 113 HB2 TRP 113 -3.660 10.307 -10.710 840 HB3 TRP 113 HB1 TRP 113 -2.745 10.913 -12.089 841 HD1 TRP 113 HD1 TRP 113 -3.295 9.814 -14.504 842 HE1 TRP 113 HE1 TRP 113 -5.330 8.517 -15.373 843 HE3 TRP 113 HE3 TRP 113 -5.474 8.610 -10.034 844 HZ2 TRP 113 HZ2 TRP 113 -7.562 7.157 -14.326 845 HZ3 TRP 113 HZ3 TRP 113 -7.563 7.303 -10.054 846 HH2 TRP 113 HH2 TRP 113 -8.585 6.591 -12.160 847 H GLY 114 HN GLY 114 -0.139 10.692 -12.001 848 HA2 GLY 114 HA2 GLY 114 1.314 10.910 -9.474 849 HA3 GLY 114 HA1 GLY 114 1.789 11.552 -11.039 850 H GLN 115 HN GLN 115 2.274 13.584 -10.294 851 HA GLN 115 HA GLN 115 0.263 15.147 -8.809 852 HB2 GLN 115 HB2 GLN 115 3.184 15.743 -9.461 853 HB3 GLN 115 HB1 GLN 115 2.132 16.776 -8.486 854 HG2 GLN 115 HG2 GLN 115 1.879 14.959 -6.826 855 HG3 GLN 115 HG1 GLN 115 2.928 13.922 -7.794 856 HE21 GLN 115 HE21 GLN 115 5.154 14.431 -7.902 857 HE22 GLN 115 HE22 GLN 115 5.914 15.433 -6.725 858 H GLY 116 HN GLY 116 1.942 15.104 -11.914 859 HA2 GLY 116 HA2 GLY 116 1.153 15.913 -13.949 860 HA3 GLY 116 HA1 GLY 116 -0.051 16.880 -13.110 861 H THR 117 HN THR 117 2.722 17.056 -14.883 862 HA THR 117 HA THR 117 3.732 19.532 -13.658 863 HB THR 117 HB THR 117 5.477 17.902 -14.066 864 HG1 THR 117 HG1 THR 117 5.929 19.665 -16.204 865 HG21 THR 117 HG21 THR 117 4.447 16.555 -15.852 866 HG22 THR 117 HG22 THR 117 6.068 17.071 -16.318 867 HG23 THR 117 HG23 THR 117 4.657 17.889 -16.992 868 H GLN 118 HN GLN 118 2.998 21.391 -14.394 869 HA GLN 118 HA GLN 118 1.450 21.714 -16.796 870 HB2 GLN 118 HB2 GLN 118 2.456 23.647 -14.671 871 HB3 GLN 118 HB1 GLN 118 1.596 24.221 -16.094 872 HG2 GLN 118 HG2 GLN 118 0.346 22.112 -14.337 873 HG3 GLN 118 HG1 GLN 118 0.313 23.804 -13.853 874 HE21 GLN 118 HE21 GLN 118 0.043 22.859 -17.286 875 HE22 GLN 118 HE22 GLN 118 -1.617 23.279 -17.441 876 H VAL 119 HN VAL 119 2.539 21.551 -18.686 877 HA VAL 119 HA VAL 119 4.999 23.139 -19.123 878 HB VAL 119 HB VAL 119 5.476 21.781 -21.032 879 HG11 VAL 119 HG11 VAL 119 4.355 19.909 -18.902 880 HG12 VAL 119 HG12 VAL 119 5.964 20.637 -18.906 881 HG13 VAL 119 HG13 VAL 119 5.528 19.461 -20.146 882 HG21 VAL 119 HG21 VAL 119 3.257 21.715 -22.093 883 HG22 VAL 119 HG22 VAL 119 2.678 20.587 -20.867 884 HG23 VAL 119 HG23 VAL 119 3.934 20.086 -22.003 885 H THR 120 HN THR 120 4.941 24.885 -20.542 886 HA THR 120 HA THR 120 2.532 25.281 -22.210 887 HB THR 120 HB THR 120 3.853 27.482 -20.548 888 HG1 THR 120 HG1 THR 120 1.767 25.739 -20.055 889 HG21 THR 120 HG21 THR 120 1.950 28.886 -21.285 890 HG22 THR 120 HG22 THR 120 1.360 27.570 -22.296 891 HG23 THR 120 HG23 THR 120 2.897 28.347 -22.672 892 H VAL 121 HN VAL 121 3.229 25.294 -24.253 893 HA VAL 121 HA VAL 121 5.940 26.265 -24.891 894 HB VAL 121 HB VAL 121 3.890 24.908 -26.704 895 HG11 VAL 121 HG11 VAL 121 6.849 25.467 -27.161 896 HG12 VAL 121 HG12 VAL 121 5.507 26.283 -27.966 897 HG13 VAL 121 HG13 VAL 121 5.790 24.565 -28.252 898 HG21 VAL 121 HG21 VAL 121 5.260 22.867 -26.449 899 HG22 VAL 121 HG22 VAL 121 4.611 23.395 -24.894 900 HG23 VAL 121 HG23 VAL 121 6.301 23.702 -25.293 901 H SER 122 HN SER 122 5.881 28.493 -24.867 902 HA SER 122 HA SER 122 3.820 30.101 -25.998 903 HB2 SER 122 HB2 SER 122 5.478 31.026 -24.415 904 HB3 SER 122 HB1 SER 122 6.769 30.771 -25.582 905 HG SER 122 HG SER 122 4.562 32.546 -25.785 906 H SER 123 HN SER 123 3.555 30.961 -28.008 907 HA SER 123 HA SER 123 4.633 29.654 -30.313 908 HB2 SER 123 HB2 SER 123 3.023 32.249 -30.200 909 HB3 SER 123 HB1 SER 123 3.143 31.126 -31.558 910 HG SER 123 HG SER 123 1.264 30.634 -30.571 911 H LEU 124 HN LEU 124 6.766 29.945 -30.618 912 HA LEU 124 HA LEU 124 8.640 30.812 -31.488 913 HB2 LEU 124 HB2 LEU 124 6.949 32.525 -32.603 914 HB3 LEU 124 HB1 LEU 124 7.617 33.665 -31.461 915 HG LEU 124 HG LEU 124 8.634 33.831 -33.723 916 HD11 LEU 124 HD11 LEU 124 9.967 34.582 -31.823 917 HD12 LEU 124 HD12 LEU 124 10.977 33.933 -33.112 918 HD13 LEU 124 HD13 LEU 124 10.675 32.971 -31.659 919 HD21 LEU 124 HD21 LEU 124 9.701 31.034 -33.225 920 HD22 LEU 124 HD22 LEU 124 10.091 32.072 -34.604 921 HD23 LEU 124 HD23 LEU 124 8.445 31.484 -34.379 922 H GLU 125 HN GLU 125 7.252 32.938 -29.015 923 HA GLU 125 HA GLU 125 9.771 33.818 -27.960 924 HB2 GLU 125 HB2 GLU 125 6.980 34.057 -26.767 925 HB3 GLU 125 HB1 GLU 125 8.406 34.982 -26.289 926 HG2 GLU 125 HG2 GLU 125 8.458 36.048 -28.506 927 HG3 GLU 125 HG1 GLU 125 7.037 35.121 -28.995 928 H HIS 126 HN HIS 126 10.068 33.691 -25.517 929 HA HIS 126 HA HIS 126 9.354 31.390 -24.001 930 HB2 HIS 126 HB2 HIS 126 11.667 30.339 -23.966 931 HB3 HIS 126 HB1 HIS 126 10.831 30.148 -25.501 932 HD1 HIS 126 HD1 HIS 126 13.803 31.723 -23.956 933 HD2 HIS 126 HD2 HIS 126 11.961 31.636 -27.667 934 HE1 HIS 126 HE1 HIS 126 15.462 32.732 -25.550 935 HE2 HIS 126 HE2 HIS 126 14.232 32.867 -27.737 936 H HIS 127 HN HIS 127 9.191 34.045 -23.559 937 HA HIS 127 HA HIS 127 11.437 35.401 -22.529 938 HB2 HIS 127 HB2 HIS 127 9.182 36.363 -23.369 939 HB3 HIS 127 HB1 HIS 127 8.550 36.012 -21.765 940 HD1 HIS 127 HD1 HIS 127 9.211 37.619 -19.872 941 HD2 HIS 127 HD2 HIS 127 11.162 38.423 -23.457 942 HE1 HIS 127 HE1 HIS 127 10.317 39.851 -19.556 943 HE2 HIS 127 HE2 HIS 127 11.498 40.314 -21.725 944 H HIS 128 HN HIS 128 8.719 33.795 -20.815 945 HA HIS 128 HA HIS 128 10.318 33.439 -18.391 946 HB2 HIS 128 HB2 HIS 128 7.598 32.318 -19.209 947 HB3 HIS 128 HB1 HIS 128 8.383 31.931 -17.682 948 HD1 HIS 128 HD1 HIS 128 8.351 33.698 -15.856 949 HD2 HIS 128 HD2 HIS 128 6.536 34.956 -19.364 950 HE1 HIS 128 HE1 HIS 128 7.114 35.794 -15.250 951 HE2 HIS 128 HE2 HIS 128 5.927 36.474 -17.363 952 H HIS 129 HN HIS 129 11.301 31.497 -17.805 953 HA HIS 129 HA HIS 129 11.352 29.137 -19.423 954 HB2 HIS 129 HB2 HIS 129 13.806 29.369 -20.085 955 HB3 HIS 129 HB1 HIS 129 12.702 30.415 -20.966 956 HD1 HIS 129 HD1 HIS 129 12.823 32.964 -20.482 957 HD2 HIS 129 HD2 HIS 129 15.728 30.722 -18.521 958 HE1 HIS 129 HE1 HIS 129 14.515 34.631 -19.657 959 HE2 HIS 129 HE2 HIS 129 16.164 33.266 -18.331 960 H HIS 130 HN HIS 130 12.555 27.446 -18.394 961 HA HIS 130 HA HIS 130 12.848 26.190 -16.513 962 HB2 HIS 130 HB2 HIS 130 15.076 27.369 -16.544 963 HB3 HIS 130 HB1 HIS 130 14.416 28.627 -15.514 964 HD1 HIS 130 HD1 HIS 130 14.286 28.143 -13.009 965 HD2 HIS 130 HD2 HIS 130 15.617 24.896 -15.232 966 HE1 HIS 130 HE1 HIS 130 15.156 26.496 -11.327 967 HE2 HIS 130 HE2 HIS 130 16.141 24.645 -12.715 968 H HIS 131 HN HIS 131 10.446 27.298 -16.739 969 HA HIS 131 HA HIS 131 8.532 28.019 -15.874 970 HB2 HIS 131 HB2 HIS 131 8.881 26.340 -14.107 971 HB3 HIS 131 HB1 HIS 131 9.828 27.482 -13.158 972 HD1 HIS 131 HD1 HIS 131 8.533 29.356 -11.935 973 HD2 HIS 131 HD2 HIS 131 6.088 26.721 -14.006 974 HE1 HIS 131 HE1 HIS 131 6.213 29.799 -11.089 975 HE2 HIS 131 HE2 HIS 131 4.773 28.121 -12.278 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 0.462 1.895 0.892 2 H2 MET 1 HT2 MET 1 1.217 0.625 1.715 3 H3 MET 1 HT3 MET 1 -0.219 0.350 0.870 4 HA MET 1 HA MET 1 2.358 1.138 -0.340 5 HB2 MET 1 HB2 MET 1 2.334 -1.183 0.583 6 HB3 MET 1 HB1 MET 1 0.893 -1.537 -0.356 7 HG2 MET 1 HG2 MET 1 2.254 -1.091 -2.437 8 HG3 MET 1 HG1 MET 1 3.682 -1.007 -1.402 9 HE1 MET 1 HE1 MET 1 2.929 -3.307 0.787 10 HE2 MET 1 HE2 MET 1 4.535 -3.114 0.079 11 HE3 MET 1 HE3 MET 1 3.743 -4.691 0.058 12 H GLN 2 HN GLN 2 1.649 2.625 -1.817 13 HA GLN 2 HA GLN 2 -0.328 1.761 -3.852 14 HB2 GLN 2 HB2 GLN 2 0.017 4.583 -2.727 15 HB3 GLN 2 HB1 GLN 2 -1.008 4.163 -4.101 16 HG2 GLN 2 HG2 GLN 2 -2.330 2.674 -2.565 17 HG3 GLN 2 HG1 GLN 2 -1.376 3.295 -1.220 18 HE21 GLN 2 HE21 GLN 2 -4.270 3.477 -1.718 19 HE22 GLN 2 HE22 GLN 2 -4.654 5.163 -1.733 20 H LEU 3 HN LEU 3 0.196 2.379 -6.011 21 HA LEU 3 HA LEU 3 2.989 2.858 -6.553 22 HB2 LEU 3 HB2 LEU 3 1.297 1.466 -7.980 23 HB3 LEU 3 HB1 LEU 3 0.761 2.998 -8.626 24 HG LEU 3 HG LEU 3 2.344 1.798 -10.123 25 HD11 LEU 3 HD11 LEU 3 3.807 3.637 -10.704 26 HD12 LEU 3 HD12 LEU 3 3.515 4.405 -9.140 27 HD13 LEU 3 HD13 LEU 3 2.197 4.233 -10.301 28 HD21 LEU 3 HD21 LEU 3 4.419 2.230 -7.957 29 HD22 LEU 3 HD22 LEU 3 4.708 1.570 -9.570 30 HD23 LEU 3 HD23 LEU 3 3.708 0.682 -8.423 31 H GLN 4 HN GLN 4 3.795 4.787 -6.225 32 HA GLN 4 HA GLN 4 2.229 7.263 -6.562 33 HB2 GLN 4 HB2 GLN 4 4.918 6.861 -5.168 34 HB3 GLN 4 HB1 GLN 4 3.876 8.286 -5.079 35 HG2 GLN 4 HG2 GLN 4 2.174 6.973 -3.877 36 HG3 GLN 4 HG1 GLN 4 3.195 5.530 -4.001 37 HE21 GLN 4 HE21 GLN 4 5.046 5.382 -2.708 38 HE22 GLN 4 HE22 GLN 4 5.294 6.413 -1.346 39 H LEU 5 HN LEU 5 2.964 8.880 -7.893 40 HA LEU 5 HA LEU 5 5.426 8.487 -9.479 41 HB2 LEU 5 HB2 LEU 5 2.682 9.303 -10.510 42 HB3 LEU 5 HB1 LEU 5 4.156 9.475 -11.444 43 HG LEU 5 HG LEU 5 3.025 6.818 -10.470 44 HD11 LEU 5 HD11 LEU 5 2.943 8.028 -13.248 45 HD12 LEU 5 HD12 LEU 5 1.572 7.807 -12.157 46 HD13 LEU 5 HD13 LEU 5 2.413 6.401 -12.804 47 HD21 LEU 5 HD21 LEU 5 5.469 6.736 -10.712 48 HD22 LEU 5 HD22 LEU 5 5.351 7.366 -12.357 49 HD23 LEU 5 HD23 LEU 5 4.685 5.777 -11.967 50 H VAL 6 HN VAL 6 6.726 10.104 -8.956 51 HA VAL 6 HA VAL 6 5.724 12.742 -8.112 52 HB VAL 6 HB VAL 6 8.569 11.628 -7.954 53 HG11 VAL 6 HG11 VAL 6 7.353 14.116 -6.680 54 HG12 VAL 6 HG12 VAL 6 8.520 14.094 -8.004 55 HG13 VAL 6 HG13 VAL 6 8.993 13.523 -6.405 56 HG21 VAL 6 HG21 VAL 6 7.052 10.311 -6.525 57 HG22 VAL 6 HG22 VAL 6 6.470 11.791 -5.758 58 HG23 VAL 6 HG23 VAL 6 8.147 11.287 -5.540 59 H GLU 7 HN GLU 7 5.477 14.081 -9.787 60 HA GLU 7 HA GLU 7 6.986 13.590 -12.273 61 HB2 GLU 7 HB2 GLU 7 4.496 13.254 -12.216 62 HB3 GLU 7 HB1 GLU 7 4.309 14.970 -11.893 63 HG2 GLU 7 HG2 GLU 7 5.257 15.521 -14.049 64 HG3 GLU 7 HG1 GLU 7 5.638 13.825 -14.357 65 H SER 8 HN SER 8 8.105 15.193 -13.263 66 HA SER 8 HA SER 8 7.899 17.992 -12.676 67 HB2 SER 8 HB2 SER 8 10.272 18.165 -11.725 68 HB3 SER 8 HB1 SER 8 9.099 17.417 -10.640 69 HG SER 8 HG SER 8 9.885 15.377 -11.345 70 H GLY 9 HN GLY 9 10.158 19.036 -13.616 71 HA2 GLY 9 HA2 GLY 9 11.733 19.065 -15.377 72 HA3 GLY 9 HA1 GLY 9 10.949 17.682 -16.126 73 H GLY 10 HN GLY 10 8.641 19.916 -15.087 74 HA2 GLY 10 HA2 GLY 10 8.027 20.699 -17.835 75 HA3 GLY 10 HA1 GLY 10 7.026 20.960 -16.414 76 H GLY 11 HN GLY 11 7.820 22.790 -18.584 77 HA2 GLY 11 HA2 GLY 11 8.159 25.184 -17.136 78 HA3 GLY 11 HA1 GLY 11 9.724 24.707 -17.796 79 H LEU 12 HN LEU 12 9.203 26.910 -18.820 80 HA LEU 12 HA LEU 12 7.514 26.705 -21.198 81 HB2 LEU 12 HB2 LEU 12 7.471 28.719 -19.645 82 HB3 LEU 12 HB1 LEU 12 9.069 29.104 -20.228 83 HG LEU 12 HG LEU 12 6.757 28.902 -22.171 84 HD11 LEU 12 HD11 LEU 12 7.508 31.399 -20.617 85 HD12 LEU 12 HD12 LEU 12 6.025 30.462 -20.423 86 HD13 LEU 12 HD13 LEU 12 6.338 31.303 -21.940 87 HD21 LEU 12 HD21 LEU 12 9.368 30.457 -22.268 88 HD22 LEU 12 HD22 LEU 12 8.095 30.539 -23.482 89 HD23 LEU 12 HD23 LEU 12 8.953 29.028 -23.217 90 H VAL 13 HN VAL 13 8.329 26.246 -23.120 91 HA VAL 13 HA VAL 13 11.128 26.958 -23.783 92 HB VAL 13 HB VAL 13 11.259 24.985 -25.315 93 HG11 VAL 13 HG11 VAL 13 10.727 24.205 -22.423 94 HG12 VAL 13 HG12 VAL 13 12.257 24.796 -23.074 95 HG13 VAL 13 HG13 VAL 13 11.620 23.235 -23.599 96 HG21 VAL 13 HG21 VAL 13 8.641 24.100 -24.039 97 HG22 VAL 13 HG22 VAL 13 9.622 23.128 -25.140 98 HG23 VAL 13 HG23 VAL 13 8.856 24.610 -25.717 99 H GLN 14 HN GLN 14 11.425 27.498 -26.020 100 HA GLN 14 HA GLN 14 9.170 28.848 -27.227 101 HB2 GLN 14 HB2 GLN 14 10.736 29.795 -28.819 102 HB3 GLN 14 HB1 GLN 14 11.444 29.901 -27.219 103 HG2 GLN 14 HG2 GLN 14 12.185 27.835 -29.317 104 HG3 GLN 14 HG1 GLN 14 13.083 29.320 -28.994 105 HE21 GLN 14 HE21 GLN 14 12.295 26.133 -27.823 106 HE22 GLN 14 HE22 GLN 14 13.521 26.059 -26.607 107 H ALA 15 HN ALA 15 8.347 28.460 -29.301 108 HA ALA 15 HA ALA 15 7.770 25.799 -29.969 109 HB1 ALA 15 HB1 ALA 15 6.232 27.668 -30.377 110 HB2 ALA 15 HB2 ALA 15 6.536 26.773 -31.866 111 HB3 ALA 15 HB3 ALA 15 7.329 28.328 -31.595 112 H GLY 16 HN GLY 16 8.805 24.375 -31.212 113 HA2 GLY 16 HA2 GLY 16 10.079 23.747 -33.186 114 HA3 GLY 16 HA1 GLY 16 11.033 25.218 -32.993 115 H GLY 17 HN GLY 17 10.968 24.793 -30.012 116 HA2 GLY 17 HA2 GLY 17 13.468 23.358 -29.801 117 HA3 GLY 17 HA1 GLY 17 12.612 24.207 -28.523 118 H SER 18 HN SER 18 13.401 22.312 -27.304 119 HA SER 18 HA SER 18 11.492 20.069 -27.345 120 HB2 SER 18 HB2 SER 18 13.439 18.527 -26.853 121 HB3 SER 18 HB1 SER 18 13.490 19.239 -28.466 122 HG SER 18 HG SER 18 15.511 19.450 -27.612 123 H LEU 19 HN LEU 19 11.383 18.923 -25.271 124 HA LEU 19 HA LEU 19 12.620 20.071 -22.906 125 HB2 LEU 19 HB2 LEU 19 10.613 21.520 -23.222 126 HB3 LEU 19 HB1 LEU 19 9.584 20.099 -23.221 127 HG LEU 19 HG LEU 19 10.230 19.651 -20.843 128 HD11 LEU 19 HD11 LEU 19 11.715 22.290 -20.983 129 HD12 LEU 19 HD12 LEU 19 12.438 20.690 -20.792 130 HD13 LEU 19 HD13 LEU 19 11.408 21.346 -19.522 131 HD21 LEU 19 HD21 LEU 19 8.178 20.900 -21.324 132 HD22 LEU 19 HD22 LEU 19 9.076 22.421 -21.303 133 HD23 LEU 19 HD23 LEU 19 8.922 21.462 -19.826 134 H ARG 20 HN ARG 20 12.995 18.474 -21.463 135 HA ARG 20 HA ARG 20 11.781 15.824 -21.916 136 HB2 ARG 20 HB2 ARG 20 14.234 15.884 -22.035 137 HB3 ARG 20 HB1 ARG 20 14.321 16.599 -20.428 138 HG2 ARG 20 HG2 ARG 20 13.402 14.535 -19.442 139 HG3 ARG 20 HG1 ARG 20 13.252 13.820 -21.052 140 HD2 ARG 20 HD2 ARG 20 15.848 14.660 -19.710 141 HD3 ARG 20 HD1 ARG 20 15.265 12.999 -19.884 142 HE ARG 20 HE ARG 20 15.326 14.027 -22.437 143 HH11 ARG 20 HH11 ARG 20 17.760 13.589 -19.932 144 HH12 ARG 20 HH12 ARG 20 19.041 13.322 -21.073 145 HH21 ARG 20 HH21 ARG 20 16.994 13.708 -23.902 146 HH22 ARG 20 HH22 ARG 20 18.602 13.381 -23.335 147 H LEU 21 HN LEU 21 10.355 15.090 -20.542 148 HA LEU 21 HA LEU 21 9.991 16.230 -17.867 149 HB2 LEU 21 HB2 LEU 21 8.232 14.336 -19.487 150 HB3 LEU 21 HB1 LEU 21 7.853 14.916 -17.879 151 HG LEU 21 HG LEU 21 6.508 16.195 -19.353 152 HD11 LEU 21 HD11 LEU 21 7.549 17.547 -17.617 153 HD12 LEU 21 HD12 LEU 21 7.238 18.487 -19.071 154 HD13 LEU 21 HD13 LEU 21 8.879 17.951 -18.706 155 HD21 LEU 21 HD21 LEU 21 7.616 15.667 -21.458 156 HD22 LEU 21 HD22 LEU 21 8.938 16.767 -21.064 157 HD23 LEU 21 HD23 LEU 21 7.309 17.396 -21.324 158 H SER 22 HN SER 22 9.640 14.719 -16.091 159 HA SER 22 HA SER 22 10.852 12.072 -16.277 160 HB2 SER 22 HB2 SER 22 12.478 12.676 -14.402 161 HB3 SER 22 HB1 SER 22 12.841 13.420 -15.961 162 HG SER 22 HG SER 22 11.290 15.143 -14.812 163 H CYS 23 HN CYS 23 9.782 10.736 -14.964 164 HA CYS 23 HA CYS 23 8.192 11.785 -12.698 165 HB2 CYS 23 HB2 CYS 23 6.716 11.353 -14.640 166 HB3 CYS 23 HB1 CYS 23 7.312 9.698 -14.742 167 HG CYS 23 HG CYS 23 5.112 9.043 -13.534 168 H VAL 24 HN VAL 24 9.225 10.980 -10.986 169 HA VAL 24 HA VAL 24 10.729 8.499 -11.048 170 HB VAL 24 HB VAL 24 10.265 10.394 -8.703 171 HG11 VAL 24 HG11 VAL 24 12.365 9.438 -7.801 172 HG12 VAL 24 HG12 VAL 24 12.453 8.336 -9.178 173 HG13 VAL 24 HG13 VAL 24 11.127 8.197 -8.021 174 HG21 VAL 24 HG21 VAL 24 11.248 11.673 -10.573 175 HG22 VAL 24 HG22 VAL 24 12.537 10.476 -10.735 176 HG23 VAL 24 HG23 VAL 24 12.429 11.464 -9.275 177 H ALA 25 HN ALA 25 9.869 6.581 -10.430 178 HA ALA 25 HA ALA 25 7.115 6.489 -9.506 179 HB1 ALA 25 HB1 ALA 25 7.789 5.147 -11.456 180 HB2 ALA 25 HB2 ALA 25 7.220 4.111 -10.145 181 HB3 ALA 25 HB3 ALA 25 8.952 4.263 -10.464 182 H SER 26 HN SER 26 7.066 6.857 -7.360 183 HA SER 26 HA SER 26 7.106 6.528 -5.127 184 HB2 SER 26 HB2 SER 26 7.606 3.611 -5.839 185 HB3 SER 26 HB1 SER 26 6.833 4.223 -4.384 186 HG SER 26 HG SER 26 5.792 4.806 -6.943 187 H GLY 27 HN GLY 27 9.547 7.409 -6.164 188 HA2 GLY 27 HA2 GLY 27 11.623 7.916 -5.225 189 HA3 GLY 27 HA1 GLY 27 11.452 6.564 -4.109 190 H ARG 28 HN ARG 28 11.506 4.364 -5.191 191 HA ARG 28 HA ARG 28 12.633 4.029 -7.785 192 HB2 ARG 28 HB2 ARG 28 14.699 4.710 -6.492 193 HB3 ARG 28 HB1 ARG 28 14.484 3.309 -5.447 194 HG2 ARG 28 HG2 ARG 28 14.939 1.784 -7.242 195 HG3 ARG 28 HG1 ARG 28 14.812 3.060 -8.454 196 HD2 ARG 28 HD2 ARG 28 17.137 2.515 -8.152 197 HD3 ARG 28 HD1 ARG 28 16.849 4.124 -7.490 198 HE ARG 28 HE ARG 28 16.735 1.971 -5.552 199 HH11 ARG 28 HH11 ARG 28 18.731 4.480 -6.992 200 HH12 ARG 28 HH12 ARG 28 20.015 4.279 -5.846 201 HH21 ARG 28 HH21 ARG 28 18.441 1.741 -4.047 202 HH22 ARG 28 HH22 ARG 28 19.860 2.729 -4.203 203 H THR 29 HN THR 29 10.439 3.088 -7.364 204 HA THR 29 HA THR 29 10.613 0.241 -6.642 205 HB THR 29 HB THR 29 8.443 2.146 -5.628 206 HG1 THR 29 HG1 THR 29 10.757 1.703 -4.590 207 HG21 THR 29 HG21 THR 29 8.739 -0.836 -5.144 208 HG22 THR 29 HG22 THR 29 7.495 -0.083 -6.147 209 HG23 THR 29 HG23 THR 29 7.529 0.214 -4.406 210 H PHE 30 HN PHE 30 9.205 -1.078 -7.783 211 HA PHE 30 HA PHE 30 7.568 0.062 -9.960 212 HB2 PHE 30 HB2 PHE 30 8.397 -1.841 -11.417 213 HB3 PHE 30 HB1 PHE 30 9.653 -0.689 -10.986 214 HD1 PHE 30 HD1 PHE 30 11.408 -1.312 -9.280 215 HD2 PHE 30 HD2 PHE 30 8.554 -4.170 -10.698 216 HE1 PHE 30 HE1 PHE 30 12.794 -3.142 -8.404 217 HE2 PHE 30 HE2 PHE 30 9.954 -5.991 -9.817 218 HZ PHE 30 HZ PHE 30 12.072 -5.479 -8.672 219 H ARG 31 HN ARG 31 5.636 -1.002 -10.308 220 HA ARG 31 HA ARG 31 5.076 -3.649 -9.306 221 HB2 ARG 31 HB2 ARG 31 3.969 -1.241 -7.882 222 HB3 ARG 31 HB1 ARG 31 2.831 -2.551 -8.175 223 HG2 ARG 31 HG2 ARG 31 4.210 -4.114 -6.928 224 HG3 ARG 31 HG1 ARG 31 5.488 -2.911 -6.750 225 HD2 ARG 31 HD2 ARG 31 4.017 -1.524 -5.357 226 HD3 ARG 31 HD1 ARG 31 2.700 -2.675 -5.577 227 HE ARG 31 HE ARG 31 3.587 -3.947 -3.918 228 HH11 ARG 31 HH11 ARG 31 6.218 -1.951 -5.126 229 HH12 ARG 31 HH12 ARG 31 7.310 -2.443 -3.876 230 HH21 ARG 31 HH21 ARG 31 5.029 -4.559 -2.306 231 HH22 ARG 31 HH22 ARG 31 6.636 -3.901 -2.272 232 H SER 32 HN SER 32 3.570 -0.653 -10.578 233 HA SER 32 HA SER 32 1.580 -2.069 -12.092 234 HB2 SER 32 HB2 SER 32 1.088 0.164 -13.081 235 HB3 SER 32 HB1 SER 32 1.161 0.223 -11.319 236 HG SER 32 HG SER 32 2.665 1.522 -13.157 237 H ASN 33 HN ASN 33 1.950 -3.176 -13.895 238 HA ASN 33 HA ASN 33 4.355 -2.913 -15.479 239 HB2 ASN 33 HB2 ASN 33 3.473 -4.791 -16.783 240 HB3 ASN 33 HB1 ASN 33 3.338 -5.131 -15.064 241 HD21 ASN 33 HD21 ASN 33 1.900 -6.339 -17.274 242 HD22 ASN 33 HD22 ASN 33 0.218 -6.088 -16.973 243 H ALA 34 HN ALA 34 1.473 -1.212 -15.419 244 HA ALA 34 HA ALA 34 1.939 -0.190 -18.166 245 HB1 ALA 34 HB1 ALA 34 -0.400 0.594 -18.116 246 HB2 ALA 34 HB2 ALA 34 -0.608 -0.082 -16.498 247 HB3 ALA 34 HB3 ALA 34 -0.315 -1.151 -17.872 248 H MET 35 HN MET 35 2.998 1.710 -18.139 249 HA MET 35 HA MET 35 2.148 3.884 -16.345 250 HB2 MET 35 HB2 MET 35 5.069 3.075 -16.794 251 HB3 MET 35 HB1 MET 35 4.592 4.640 -16.149 252 HG2 MET 35 HG2 MET 35 3.610 3.519 -14.181 253 HG3 MET 35 HG1 MET 35 4.101 1.955 -14.838 254 HE1 MET 35 HE1 MET 35 6.619 2.441 -11.840 255 HE2 MET 35 HE2 MET 35 5.406 1.381 -12.560 256 HE3 MET 35 HE3 MET 35 4.926 2.937 -11.880 257 H GLY 36 HN GLY 36 1.595 5.533 -17.670 258 HA2 GLY 36 HA2 GLY 36 3.038 5.971 -20.205 259 HA3 GLY 36 HA1 GLY 36 1.289 5.778 -20.221 260 H TRP 37 HN TRP 37 2.194 7.970 -21.307 261 HA TRP 37 HA TRP 37 1.831 10.154 -19.348 262 HB2 TRP 37 HB2 TRP 37 3.145 10.212 -22.106 263 HB3 TRP 37 HB1 TRP 37 2.891 11.626 -21.086 264 HD1 TRP 37 HD1 TRP 37 5.051 8.452 -21.308 265 HE1 TRP 37 HE1 TRP 37 7.095 8.758 -19.799 266 HE3 TRP 37 HE3 TRP 37 3.722 12.817 -18.969 267 HZ2 TRP 37 HZ2 TRP 37 8.019 10.544 -17.837 268 HZ3 TRP 37 HZ3 TRP 37 5.253 13.749 -17.272 269 HH2 TRP 37 HH2 TRP 37 7.361 12.634 -16.719 270 H PHE 38 HN PHE 38 0.099 11.329 -19.496 271 HA PHE 38 HA PHE 38 -1.557 11.471 -21.942 272 HB2 PHE 38 HB2 PHE 38 -2.441 11.728 -19.019 273 HB3 PHE 38 HB1 PHE 38 -3.480 12.024 -20.404 274 HD1 PHE 38 HD1 PHE 38 -4.831 10.269 -21.201 275 HD2 PHE 38 HD2 PHE 38 -1.381 9.311 -18.861 276 HE1 PHE 38 HE1 PHE 38 -5.507 7.908 -21.158 277 HE2 PHE 38 HE2 PHE 38 -2.060 6.951 -18.833 278 HZ PHE 38 HZ PHE 38 -4.123 6.245 -19.979 279 H ARG 39 HN ARG 39 -2.780 13.673 -21.926 280 HA ARG 39 HA ARG 39 -1.344 15.846 -20.581 281 HB2 ARG 39 HB2 ARG 39 -1.084 17.168 -22.619 282 HB3 ARG 39 HB1 ARG 39 -0.210 15.649 -22.744 283 HG2 ARG 39 HG2 ARG 39 -1.954 14.736 -24.227 284 HG3 ARG 39 HG1 ARG 39 -2.883 16.232 -24.072 285 HD2 ARG 39 HD2 ARG 39 -1.018 17.494 -25.071 286 HD3 ARG 39 HD1 ARG 39 -0.094 16.000 -25.223 287 HE ARG 39 HE ARG 39 -2.559 15.715 -26.578 288 HH11 ARG 39 HH11 ARG 39 0.572 17.325 -26.857 289 HH12 ARG 39 HH12 ARG 39 0.438 17.565 -28.565 290 HH21 ARG 39 HH21 ARG 39 -2.697 16.020 -28.857 291 HH22 ARG 39 HH22 ARG 39 -1.420 16.834 -29.701 292 H GLN 40 HN GLN 40 -2.679 17.283 -19.825 293 HA GLN 40 HA GLN 40 -5.503 17.346 -20.682 294 HB2 GLN 40 HB2 GLN 40 -4.782 16.596 -18.267 295 HB3 GLN 40 HB1 GLN 40 -4.447 18.295 -17.983 296 HG2 GLN 40 HG2 GLN 40 -7.141 17.225 -18.862 297 HG3 GLN 40 HG1 GLN 40 -6.688 17.449 -17.174 298 HE21 GLN 40 HE21 GLN 40 -8.837 18.680 -18.768 299 HE22 GLN 40 HE22 GLN 40 -8.603 20.382 -18.637 300 H ALA 41 HN ALA 41 -6.216 19.273 -21.481 301 HA ALA 41 HA ALA 41 -4.244 21.468 -21.719 302 HB1 ALA 41 HB1 ALA 41 -4.890 20.482 -23.843 303 HB2 ALA 41 HB2 ALA 41 -5.569 22.108 -23.743 304 HB3 ALA 41 HB3 ALA 41 -6.595 20.697 -23.478 305 HA PRO 42 HA PRO 42 -6.546 24.415 -19.280 306 HB2 PRO 42 HB2 PRO 42 -6.699 26.178 -21.735 307 HB3 PRO 42 HB1 PRO 42 -6.213 26.592 -20.081 308 HG2 PRO 42 HG2 PRO 42 -4.350 26.231 -21.942 309 HG3 PRO 42 HG1 PRO 42 -4.102 25.584 -20.307 310 HD2 PRO 42 HD2 PRO 42 -4.878 24.130 -22.826 311 HD3 PRO 42 HD1 PRO 42 -3.800 23.612 -21.511 312 H GLY 43 HN GLY 43 -8.456 23.276 -18.955 313 HA2 GLY 43 HA2 GLY 43 -10.762 23.245 -18.830 314 HA3 GLY 43 HA1 GLY 43 -10.853 24.359 -20.177 315 H LYS 44 HN LYS 44 -8.902 22.104 -21.401 316 HA LYS 44 HA LYS 44 -11.127 20.610 -22.656 317 HB2 LYS 44 HB2 LYS 44 -8.280 20.903 -23.684 318 HB3 LYS 44 HB1 LYS 44 -9.670 20.290 -24.559 319 HG2 LYS 44 HG2 LYS 44 -9.538 23.152 -23.585 320 HG3 LYS 44 HG1 LYS 44 -8.800 22.666 -25.105 321 HD2 LYS 44 HD2 LYS 44 -10.932 23.596 -25.645 322 HD3 LYS 44 HD1 LYS 44 -11.092 21.855 -25.852 323 HE2 LYS 44 HE2 LYS 44 -12.326 21.670 -23.779 324 HE3 LYS 44 HE1 LYS 44 -12.011 23.351 -23.371 325 HZ1 LYS 44 HZ1 LYS 44 -13.321 23.979 -25.327 326 HZ2 LYS 44 HZ2 LYS 44 -14.218 23.094 -24.200 327 HZ3 LYS 44 HZ3 LYS 44 -13.667 22.350 -25.614 328 H GLU 45 HN GLU 45 -11.103 18.406 -22.707 329 HA GLU 45 HA GLU 45 -10.185 17.127 -20.406 330 HB2 GLU 45 HB2 GLU 45 -11.249 15.906 -22.975 331 HB3 GLU 45 HB1 GLU 45 -11.054 15.023 -21.458 332 HG2 GLU 45 HG2 GLU 45 -12.663 16.552 -20.365 333 HG3 GLU 45 HG1 GLU 45 -12.867 17.426 -21.884 334 H ARG 46 HN ARG 46 -8.730 15.506 -19.985 335 HA ARG 46 HA ARG 46 -6.193 15.508 -21.085 336 HB2 ARG 46 HB2 ARG 46 -5.679 13.532 -19.755 337 HB3 ARG 46 HB1 ARG 46 -6.668 14.640 -18.819 338 HG2 ARG 46 HG2 ARG 46 -7.758 12.159 -20.198 339 HG3 ARG 46 HG1 ARG 46 -7.206 12.197 -18.523 340 HD2 ARG 46 HD2 ARG 46 -8.928 13.914 -18.020 341 HD3 ARG 46 HD1 ARG 46 -9.500 13.809 -19.684 342 HE ARG 46 HE ARG 46 -9.979 11.393 -19.160 343 HH11 ARG 46 HH11 ARG 46 -9.977 13.767 -16.558 344 HH12 ARG 46 HH12 ARG 46 -11.166 12.916 -15.628 345 HH21 ARG 46 HH21 ARG 46 -11.529 10.291 -17.913 346 HH22 ARG 46 HH22 ARG 46 -12.035 10.951 -16.389 347 H GLU 47 HN GLU 47 -5.009 14.068 -22.362 348 HA GLU 47 HA GLU 47 -6.477 12.323 -24.218 349 HB2 GLU 47 HB2 GLU 47 -6.316 14.546 -25.264 350 HB3 GLU 47 HB1 GLU 47 -4.585 14.608 -24.951 351 HG2 GLU 47 HG2 GLU 47 -4.190 12.798 -26.531 352 HG3 GLU 47 HG1 GLU 47 -5.925 12.584 -26.771 353 H PHE 48 HN PHE 48 -5.388 10.498 -24.691 354 HA PHE 48 HA PHE 48 -3.041 9.721 -23.291 355 HB2 PHE 48 HB2 PHE 48 -4.828 8.133 -23.881 356 HB3 PHE 48 HB1 PHE 48 -4.546 8.402 -25.595 357 HD1 PHE 48 HD1 PHE 48 -3.047 6.977 -22.498 358 HD2 PHE 48 HD2 PHE 48 -2.871 7.136 -26.766 359 HE1 PHE 48 HE1 PHE 48 -1.477 5.093 -22.506 360 HE2 PHE 48 HE2 PHE 48 -1.301 5.249 -26.767 361 HZ PHE 48 HZ PHE 48 -0.602 4.225 -24.639 362 H VAL 49 HN VAL 49 -1.056 10.382 -23.785 363 HA VAL 49 HA VAL 49 -0.240 11.164 -26.475 364 HB VAL 49 HB VAL 49 1.424 11.051 -23.909 365 HG11 VAL 49 HG11 VAL 49 2.863 11.006 -25.908 366 HG12 VAL 49 HG12 VAL 49 3.012 12.562 -25.091 367 HG13 VAL 49 HG13 VAL 49 2.042 12.429 -26.560 368 HG21 VAL 49 HG21 VAL 49 -0.432 12.635 -23.653 369 HG22 VAL 49 HG22 VAL 49 0.013 13.436 -25.160 370 HG23 VAL 49 HG23 VAL 49 1.101 13.502 -23.771 371 H ALA 50 HN ALA 50 0.735 8.758 -23.991 372 HA ALA 50 HA ALA 50 1.570 6.760 -25.863 373 HB1 ALA 50 HB1 ALA 50 3.996 6.896 -25.453 374 HB2 ALA 50 HB2 ALA 50 3.760 8.351 -24.480 375 HB3 ALA 50 HB3 ALA 50 3.395 8.372 -26.207 376 H ALA 51 HN ALA 51 2.962 5.007 -24.689 377 HA ALA 51 HA ALA 51 2.861 4.912 -21.824 378 HB1 ALA 51 HB1 ALA 51 1.027 2.980 -23.288 379 HB2 ALA 51 HB2 ALA 51 0.507 4.342 -22.296 380 HB3 ALA 51 HB3 ALA 51 1.362 2.991 -21.553 381 H ILE 52 HN ILE 52 3.756 3.055 -20.916 382 HA ILE 52 HA ILE 52 5.543 1.418 -22.594 383 HB ILE 52 HB ILE 52 6.012 2.323 -19.693 384 HG12 ILE 52 HG12 ILE 52 8.149 3.426 -20.771 385 HG13 ILE 52 HG11 ILE 52 7.274 3.295 -22.290 386 HG21 ILE 52 HG21 ILE 52 6.879 0.061 -20.067 387 HG22 ILE 52 HG22 ILE 52 8.213 1.196 -19.858 388 HG23 ILE 52 HG23 ILE 52 7.796 0.617 -21.472 389 HD11 ILE 52 HD11 ILE 52 6.392 4.844 -19.860 390 HD12 ILE 52 HD12 ILE 52 5.518 4.737 -21.391 391 HD13 ILE 52 HD13 ILE 52 7.102 5.508 -21.332 392 H ARG 53 HN ARG 53 4.687 -0.631 -22.661 393 HA ARG 53 HA ARG 53 3.192 -1.691 -20.354 394 HB2 ARG 53 HB2 ARG 53 3.692 -2.984 -23.077 395 HB3 ARG 53 HB1 ARG 53 2.633 -3.611 -21.814 396 HG2 ARG 53 HG2 ARG 53 2.251 -1.053 -23.394 397 HG3 ARG 53 HG1 ARG 53 1.324 -2.547 -23.558 398 HD2 ARG 53 HD2 ARG 53 0.420 -2.261 -21.292 399 HD3 ARG 53 HD1 ARG 53 1.398 -0.804 -21.064 400 HE ARG 53 HE ARG 53 -0.482 -0.842 -23.313 401 HH11 ARG 53 HH11 ARG 53 0.242 0.365 -20.087 402 HH12 ARG 53 HH12 ARG 53 -1.067 1.500 -20.091 403 HH21 ARG 53 HH21 ARG 53 -2.150 0.701 -23.319 404 HH22 ARG 53 HH22 ARG 53 -2.402 1.713 -21.929 405 H TRP 54 HN TRP 54 4.880 -1.838 -18.910 406 HA TRP 54 HA TRP 54 6.412 -2.876 -17.656 407 HB2 TRP 54 HB2 TRP 54 5.068 -4.887 -18.028 408 HB3 TRP 54 HB1 TRP 54 5.876 -5.195 -19.559 409 HD1 TRP 54 HD1 TRP 54 7.728 -4.441 -16.221 410 HE1 TRP 54 HE1 TRP 54 9.154 -6.497 -15.626 411 HE3 TRP 54 HE3 TRP 54 6.165 -7.619 -19.915 412 HZ2 TRP 54 HZ2 TRP 54 9.558 -9.122 -16.578 413 HZ3 TRP 54 HZ3 TRP 54 7.115 -9.891 -20.002 414 HH2 TRP 54 HH2 TRP 54 8.779 -10.628 -18.363 415 H SER 55 HN SER 55 7.429 -4.431 -20.692 416 HA SER 55 HA SER 55 9.596 -2.654 -21.272 417 HB2 SER 55 HB2 SER 55 11.401 -4.419 -20.790 418 HB3 SER 55 HB1 SER 55 10.675 -3.677 -19.365 419 HG SER 55 HG SER 55 10.544 -5.765 -18.888 420 H GLY 56 HN GLY 56 10.966 -3.585 -23.100 421 HA2 GLY 56 HA2 GLY 56 11.242 -4.691 -25.100 422 HA3 GLY 56 HA1 GLY 56 10.041 -5.862 -24.588 423 H GLY 57 HN GLY 57 9.383 -2.418 -24.720 424 HA2 GLY 57 HA2 GLY 57 8.233 -2.378 -27.369 425 HA3 GLY 57 HA1 GLY 57 7.013 -2.419 -26.095 426 H SER 58 HN SER 58 6.950 -0.716 -24.540 427 HA SER 58 HA SER 58 7.145 1.339 -23.631 428 HB2 SER 58 HB2 SER 58 9.505 0.560 -23.304 429 HB3 SER 58 HB1 SER 58 9.950 1.287 -24.847 430 HG SER 58 HG SER 58 9.466 3.306 -23.988 431 H THR 59 HN THR 59 5.682 1.395 -25.963 432 HA THR 59 HA THR 59 6.177 3.954 -27.182 433 HB THR 59 HB THR 59 6.184 2.878 -29.606 434 HG1 THR 59 HG1 THR 59 6.909 0.733 -27.945 435 HG21 THR 59 HG21 THR 59 8.061 4.248 -28.766 436 HG22 THR 59 HG22 THR 59 8.639 2.880 -29.717 437 HG23 THR 59 HG23 THR 59 8.740 2.833 -27.956 438 H TYR 60 HN TYR 60 4.236 4.785 -27.384 439 HA TYR 60 HA TYR 60 2.235 3.526 -29.098 440 HB2 TYR 60 HB2 TYR 60 1.592 4.582 -26.297 441 HB3 TYR 60 HB1 TYR 60 0.371 4.459 -27.554 442 HD1 TYR 60 HD1 TYR 60 -0.362 2.195 -28.375 443 HD2 TYR 60 HD2 TYR 60 2.293 2.627 -25.058 444 HE1 TYR 60 HE1 TYR 60 -0.867 -0.106 -27.668 445 HE2 TYR 60 HE2 TYR 60 1.794 0.336 -24.357 446 HH TYR 60 HH TYR 60 0.146 -1.893 -26.323 447 H TYR 61 HN TYR 61 2.142 5.056 -30.673 448 HA TYR 61 HA TYR 61 1.513 7.783 -30.127 449 HB2 TYR 61 HB2 TYR 61 3.626 8.709 -31.367 450 HB3 TYR 61 HB1 TYR 61 3.766 8.272 -29.675 451 HD1 TYR 61 HD1 TYR 61 3.857 5.475 -32.098 452 HD2 TYR 61 HD2 TYR 61 6.232 8.347 -30.010 453 HE1 TYR 61 HE1 TYR 61 5.881 4.174 -32.616 454 HE2 TYR 61 HE2 TYR 61 8.251 7.053 -30.519 455 HH TYR 61 HH TYR 61 8.937 4.836 -31.118 456 H ALA 62 HN ALA 62 0.590 8.781 -31.838 457 HA ALA 62 HA ALA 62 0.194 7.424 -34.353 458 HB1 ALA 62 HB1 ALA 62 -0.449 10.286 -33.524 459 HB2 ALA 62 HB2 ALA 62 -1.542 8.904 -33.419 460 HB3 ALA 62 HB3 ALA 62 -1.016 9.487 -34.996 461 H ASP 63 HN ASP 63 0.889 8.384 -36.458 462 HA ASP 63 HA ASP 63 3.686 8.810 -36.598 463 HB2 ASP 63 HB2 ASP 63 2.352 7.834 -38.448 464 HB3 ASP 63 HB1 ASP 63 1.539 9.374 -38.689 465 H SER 64 HN SER 64 1.014 11.039 -36.338 466 HA SER 64 HA SER 64 2.261 13.462 -37.111 467 HB2 SER 64 HB2 SER 64 -0.041 13.032 -35.156 468 HB3 SER 64 HB1 SER 64 0.348 14.539 -35.990 469 HG SER 64 HG SER 64 0.071 12.443 -37.722 470 H VAL 65 HN VAL 65 2.221 11.693 -34.044 471 HA VAL 65 HA VAL 65 3.769 13.847 -32.711 472 HB VAL 65 HB VAL 65 3.085 12.865 -30.551 473 HG11 VAL 65 HG11 VAL 65 1.722 14.682 -31.490 474 HG12 VAL 65 HG12 VAL 65 0.705 13.559 -30.587 475 HG13 VAL 65 HG13 VAL 65 0.716 13.515 -32.353 476 HG21 VAL 65 HG21 VAL 65 2.786 10.515 -31.215 477 HG22 VAL 65 HG22 VAL 65 1.377 10.941 -32.187 478 HG23 VAL 65 HG23 VAL 65 1.323 11.116 -30.429 479 H LYS 66 HN LYS 66 4.192 10.864 -34.188 480 HA LYS 66 HA LYS 66 6.197 9.687 -32.500 481 HB2 LYS 66 HB2 LYS 66 4.984 8.258 -34.060 482 HB3 LYS 66 HB1 LYS 66 5.472 9.249 -35.431 483 HG2 LYS 66 HG2 LYS 66 7.776 8.503 -35.231 484 HG3 LYS 66 HG1 LYS 66 7.411 7.638 -33.735 485 HD2 LYS 66 HD2 LYS 66 7.585 6.116 -35.708 486 HD3 LYS 66 HD1 LYS 66 5.998 6.048 -34.938 487 HE2 LYS 66 HE2 LYS 66 5.796 6.059 -37.388 488 HE3 LYS 66 HE1 LYS 66 5.077 7.510 -36.698 489 HZ1 LYS 66 HZ1 LYS 66 6.336 8.095 -38.613 490 HZ2 LYS 66 HZ2 LYS 66 7.707 7.288 -38.046 491 HZ3 LYS 66 HZ3 LYS 66 7.167 8.683 -37.260 492 H GLY 67 HN GLY 67 8.366 9.999 -32.495 493 HA2 GLY 67 HA2 GLY 67 10.462 10.779 -33.185 494 HA3 GLY 67 HA1 GLY 67 9.715 11.690 -34.488 495 H ARG 68 HN ARG 68 7.702 12.857 -32.671 496 HA ARG 68 HA ARG 68 9.203 15.071 -31.567 497 HB2 ARG 68 HB2 ARG 68 6.231 14.389 -31.554 498 HB3 ARG 68 HB1 ARG 68 6.905 15.874 -30.885 499 HG2 ARG 68 HG2 ARG 68 7.724 16.483 -33.156 500 HG3 ARG 68 HG1 ARG 68 6.954 15.024 -33.796 501 HD2 ARG 68 HD2 ARG 68 5.590 17.144 -34.049 502 HD3 ARG 68 HD1 ARG 68 4.762 15.823 -33.214 503 HE ARG 68 HE ARG 68 6.062 17.471 -31.319 504 HH11 ARG 68 HH11 ARG 68 3.233 17.518 -33.409 505 HH12 ARG 68 HH12 ARG 68 2.364 18.624 -32.404 506 HH21 ARG 68 HH21 ARG 68 4.924 18.895 -30.023 507 HH22 ARG 68 HH22 ARG 68 3.333 19.421 -30.461 508 H PHE 69 HN PHE 69 6.727 12.907 -30.246 509 HA PHE 69 HA PHE 69 7.712 13.260 -27.517 510 HB2 PHE 69 HB2 PHE 69 5.194 11.970 -28.659 511 HB3 PHE 69 HB1 PHE 69 5.540 12.111 -26.935 512 HD1 PHE 69 HD1 PHE 69 4.523 13.919 -29.981 513 HD2 PHE 69 HD2 PHE 69 5.406 14.320 -25.821 514 HE1 PHE 69 HE1 PHE 69 3.504 16.153 -29.982 515 HE2 PHE 69 HE2 PHE 69 4.384 16.556 -25.835 516 HZ PHE 69 HZ PHE 69 3.436 17.476 -27.908 517 H THR 70 HN THR 70 9.029 11.809 -26.668 518 HA THR 70 HA THR 70 9.188 9.041 -27.710 519 HB THR 70 HB THR 70 11.532 10.777 -26.776 520 HG1 THR 70 HG1 THR 70 10.658 11.446 -28.805 521 HG21 THR 70 HG21 THR 70 11.911 8.361 -26.398 522 HG22 THR 70 HG22 THR 70 12.953 8.965 -27.685 523 HG23 THR 70 HG23 THR 70 11.516 8.028 -28.092 524 H ILE 71 HN ILE 71 9.012 7.523 -26.114 525 HA ILE 71 HA ILE 71 9.137 8.399 -23.290 526 HB ILE 71 HB ILE 71 7.221 6.998 -22.697 527 HG12 ILE 71 HG12 ILE 71 7.347 5.299 -24.544 528 HG13 ILE 71 HG11 ILE 71 5.729 5.926 -24.294 529 HG21 ILE 71 HG21 ILE 71 5.429 8.388 -23.638 530 HG22 ILE 71 HG22 ILE 71 6.540 8.991 -24.872 531 HG23 ILE 71 HG23 ILE 71 6.832 9.347 -23.167 532 HD11 ILE 71 HD11 ILE 71 6.122 5.654 -26.626 533 HD12 ILE 71 HD12 ILE 71 7.610 6.588 -26.550 534 HD13 ILE 71 HD13 ILE 71 6.055 7.381 -26.291 535 H SER 72 HN SER 72 10.020 7.033 -21.872 536 HA SER 72 HA SER 72 10.392 4.233 -22.320 537 HB2 SER 72 HB2 SER 72 12.273 5.069 -23.709 538 HB3 SER 72 HB1 SER 72 12.878 6.009 -22.346 539 HG SER 72 HG SER 72 13.324 3.423 -22.957 540 H ARG 73 HN ARG 73 11.371 3.187 -20.449 541 HA ARG 73 HA ARG 73 11.388 4.791 -17.963 542 HB2 ARG 73 HB2 ARG 73 9.140 3.746 -18.195 543 HB3 ARG 73 HB1 ARG 73 9.887 2.161 -18.360 544 HG2 ARG 73 HG2 ARG 73 10.784 2.349 -16.049 545 HG3 ARG 73 HG1 ARG 73 10.021 3.935 -15.893 546 HD2 ARG 73 HD2 ARG 73 8.629 2.296 -14.791 547 HD3 ARG 73 HD1 ARG 73 7.792 2.838 -16.248 548 HE ARG 73 HE ARG 73 9.187 0.575 -16.995 549 HH11 ARG 73 HH11 ARG 73 6.627 1.278 -14.684 550 HH12 ARG 73 HH12 ARG 73 6.026 -0.350 -14.675 551 HH21 ARG 73 HH21 ARG 73 8.384 -1.550 -16.954 552 HH22 ARG 73 HH22 ARG 73 7.033 -1.945 -15.940 553 H ASP 74 HN ASP 74 13.209 4.416 -16.874 554 HA ASP 74 HA ASP 74 14.761 1.935 -17.325 555 HB2 ASP 74 HB2 ASP 74 15.706 4.466 -15.907 556 HB3 ASP 74 HB1 ASP 74 16.697 3.119 -16.454 557 H ASN 75 HN ASN 75 14.647 0.403 -15.776 558 HA ASN 75 HA ASN 75 13.285 0.840 -13.267 559 HB2 ASN 75 HB2 ASN 75 13.181 -1.280 -14.720 560 HB3 ASN 75 HB1 ASN 75 14.793 -1.670 -14.137 561 HD21 ASN 75 HD21 ASN 75 15.041 -2.266 -11.920 562 HD22 ASN 75 HD22 ASN 75 13.691 -2.756 -10.962 563 H ALA 76 HN ALA 76 16.490 1.187 -14.334 564 HA ALA 76 HA ALA 76 18.177 0.476 -12.258 565 HB1 ALA 76 HB1 ALA 76 18.947 1.312 -14.441 566 HB2 ALA 76 HB2 ALA 76 19.707 2.213 -13.128 567 HB3 ALA 76 HB3 ALA 76 18.376 2.934 -14.041 568 H LYS 77 HN LYS 77 16.483 3.586 -12.698 569 HA LYS 77 HA LYS 77 16.675 4.087 -9.787 570 HB2 LYS 77 HB2 LYS 77 16.649 6.496 -10.189 571 HB3 LYS 77 HB1 LYS 77 18.028 5.752 -10.980 572 HG2 LYS 77 HG2 LYS 77 15.493 6.382 -12.510 573 HG3 LYS 77 HG1 LYS 77 16.727 7.611 -12.225 574 HD2 LYS 77 HD2 LYS 77 18.403 6.189 -13.387 575 HD3 LYS 77 HD1 LYS 77 17.159 4.969 -13.685 576 HE2 LYS 77 HE2 LYS 77 15.926 6.500 -15.115 577 HE3 LYS 77 HE1 LYS 77 17.005 7.832 -14.695 578 HZ1 LYS 77 HZ1 LYS 77 17.425 6.784 -16.887 579 HZ2 LYS 77 HZ2 LYS 77 17.912 5.378 -16.085 580 HZ3 LYS 77 HZ3 LYS 77 18.770 6.818 -15.865 581 H ASN 78 HN ASN 78 14.612 3.063 -12.048 582 HA ASN 78 HA ASN 78 12.416 3.098 -12.527 583 HB2 ASN 78 HB2 ASN 78 12.207 3.597 -9.538 584 HB3 ASN 78 HB1 ASN 78 10.841 3.157 -10.556 585 HD21 ASN 78 HD21 ASN 78 10.782 1.049 -11.469 586 HD22 ASN 78 HD22 ASN 78 11.725 -0.237 -10.806 587 H THR 79 HN THR 79 13.015 5.057 -13.737 588 HA THR 79 HA THR 79 11.165 7.239 -13.042 589 HB THR 79 HB THR 79 14.016 7.697 -14.058 590 HG1 THR 79 HG1 THR 79 12.939 7.558 -11.547 591 HG21 THR 79 HG21 THR 79 13.520 10.106 -13.778 592 HG22 THR 79 HG22 THR 79 11.857 9.720 -13.336 593 HG23 THR 79 HG23 THR 79 12.436 9.380 -14.970 594 H VAL 80 HN VAL 80 9.956 7.868 -14.701 595 HA VAL 80 HA VAL 80 10.314 6.639 -17.351 596 HB VAL 80 HB VAL 80 7.824 8.111 -16.372 597 HG11 VAL 80 HG11 VAL 80 8.157 5.937 -18.473 598 HG12 VAL 80 HG12 VAL 80 7.984 7.661 -18.798 599 HG13 VAL 80 HG13 VAL 80 6.652 6.767 -18.062 600 HG21 VAL 80 HG21 VAL 80 8.250 6.366 -14.697 601 HG22 VAL 80 HG22 VAL 80 8.372 5.149 -15.968 602 HG23 VAL 80 HG23 VAL 80 6.834 5.958 -15.669 603 H TYR 81 HN TYR 81 10.983 7.968 -18.983 604 HA TYR 81 HA TYR 81 10.915 10.906 -18.610 605 HB2 TYR 81 HB2 TYR 81 12.661 9.175 -20.423 606 HB3 TYR 81 HB1 TYR 81 12.684 10.935 -20.407 607 HD1 TYR 81 HD1 TYR 81 14.009 7.946 -18.847 608 HD2 TYR 81 HD2 TYR 81 13.362 12.131 -18.232 609 HE1 TYR 81 HE1 TYR 81 15.693 7.950 -17.057 610 HE2 TYR 81 HE2 TYR 81 15.053 12.130 -16.449 611 HH TYR 81 HH TYR 81 17.252 9.683 -15.989 612 H LEU 82 HN LEU 82 9.905 12.196 -20.050 613 HA LEU 82 HA LEU 82 8.951 11.091 -22.634 614 HB2 LEU 82 HB2 LEU 82 7.019 11.655 -21.259 615 HB3 LEU 82 HB1 LEU 82 7.701 13.216 -20.850 616 HG LEU 82 HG LEU 82 7.399 13.964 -23.205 617 HD11 LEU 82 HD11 LEU 82 6.062 12.679 -24.790 618 HD12 LEU 82 HD12 LEU 82 6.004 11.320 -23.666 619 HD13 LEU 82 HD13 LEU 82 7.544 11.821 -24.369 620 HD21 LEU 82 HD21 LEU 82 5.671 14.466 -21.550 621 HD22 LEU 82 HD22 LEU 82 4.855 12.941 -21.910 622 HD23 LEU 82 HD23 LEU 82 4.956 14.202 -23.142 623 H GLN 83 HN GLN 83 10.761 11.663 -23.791 624 HA GLN 83 HA GLN 83 11.814 14.371 -23.738 625 HB2 GLN 83 HB2 GLN 83 13.349 12.458 -24.121 626 HB3 GLN 83 HB1 GLN 83 12.463 12.017 -25.573 627 HG2 GLN 83 HG2 GLN 83 14.564 13.175 -26.102 628 HG3 GLN 83 HG1 GLN 83 13.166 14.084 -26.674 629 HE21 GLN 83 HE21 GLN 83 12.691 16.091 -25.733 630 HE22 GLN 83 HE22 GLN 83 13.786 16.913 -24.679 631 H MET 84 HN MET 84 10.265 15.741 -24.425 632 HA MET 84 HA MET 84 8.759 15.318 -26.886 633 HB2 MET 84 HB2 MET 84 8.870 17.790 -25.096 634 HB3 MET 84 HB1 MET 84 7.698 17.468 -26.367 635 HG2 MET 84 HG2 MET 84 6.973 15.449 -25.004 636 HG3 MET 84 HG1 MET 84 7.950 16.104 -23.691 637 HE1 MET 84 HE1 MET 84 7.378 19.355 -24.297 638 HE2 MET 84 HE2 MET 84 7.456 18.667 -22.676 639 HE3 MET 84 HE3 MET 84 6.051 19.611 -23.167 640 H ASN 85 HN ASN 85 9.212 16.310 -28.816 641 HA ASN 85 HA ASN 85 11.283 18.395 -29.027 642 HB2 ASN 85 HB2 ASN 85 12.326 16.076 -29.446 643 HB3 ASN 85 HB1 ASN 85 11.256 15.937 -30.840 644 HD21 ASN 85 HD21 ASN 85 12.902 15.866 -32.349 645 HD22 ASN 85 HD22 ASN 85 13.919 17.215 -32.717 646 H SER 86 HN SER 86 11.227 19.439 -31.183 647 HA SER 86 HA SER 86 10.145 20.620 -32.773 648 HB2 SER 86 HB2 SER 86 10.310 18.412 -33.940 649 HB3 SER 86 HB1 SER 86 8.729 17.970 -33.305 650 HG SER 86 HG SER 86 8.054 20.034 -34.455 651 H LEU 87 HN LEU 87 9.217 21.092 -30.326 652 HA LEU 87 HA LEU 87 6.487 20.519 -29.854 653 HB2 LEU 87 HB2 LEU 87 8.522 22.292 -28.505 654 HB3 LEU 87 HB1 LEU 87 6.842 22.296 -27.975 655 HG LEU 87 HG LEU 87 8.591 19.801 -28.069 656 HD11 LEU 87 HD11 LEU 87 9.453 21.353 -26.393 657 HD12 LEU 87 HD12 LEU 87 8.707 19.951 -25.633 658 HD13 LEU 87 HD13 LEU 87 7.848 21.494 -25.666 659 HD21 LEU 87 HD21 LEU 87 6.771 18.774 -26.753 660 HD22 LEU 87 HD22 LEU 87 6.204 19.306 -28.330 661 HD23 LEU 87 HD23 LEU 87 5.822 20.254 -26.891 662 H LYS 88 HN LYS 88 4.752 21.505 -30.435 663 HA LYS 88 HA LYS 88 4.800 23.934 -32.041 664 HB2 LYS 88 HB2 LYS 88 2.503 22.077 -31.275 665 HB3 LYS 88 HB1 LYS 88 2.464 23.310 -32.531 666 HG2 LYS 88 HG2 LYS 88 4.310 20.899 -32.606 667 HG3 LYS 88 HG1 LYS 88 2.696 20.906 -33.316 668 HD2 LYS 88 HD2 LYS 88 4.704 23.026 -34.122 669 HD3 LYS 88 HD1 LYS 88 4.799 21.410 -34.823 670 HE2 LYS 88 HE2 LYS 88 3.515 22.970 -36.254 671 HE3 LYS 88 HE1 LYS 88 2.532 21.615 -35.713 672 HZ1 LYS 88 HZ1 LYS 88 2.488 24.336 -34.519 673 HZ2 LYS 88 HZ2 LYS 88 1.489 23.037 -34.088 674 HZ3 LYS 88 HZ3 LYS 88 1.361 23.732 -35.623 675 HA PRO 89 HA PRO 89 3.629 26.627 -28.655 676 HB2 PRO 89 HB2 PRO 89 1.873 28.375 -29.914 677 HB3 PRO 89 HB1 PRO 89 3.633 28.452 -30.058 678 HG2 PRO 89 HG2 PRO 89 1.632 27.192 -31.926 679 HG3 PRO 89 HG1 PRO 89 3.023 28.229 -32.312 680 HD2 PRO 89 HD2 PRO 89 3.174 25.568 -32.603 681 HD3 PRO 89 HD1 PRO 89 4.569 26.490 -31.990 682 H GLU 90 HN GLU 90 1.211 24.847 -30.382 683 HA GLU 90 HA GLU 90 -1.082 25.317 -28.764 684 HB2 GLU 90 HB2 GLU 90 -2.022 23.371 -29.935 685 HB3 GLU 90 HB1 GLU 90 -1.166 24.406 -31.075 686 HG2 GLU 90 HG2 GLU 90 0.816 22.859 -30.862 687 HG3 GLU 90 HG1 GLU 90 -0.192 21.779 -29.911 688 H ASP 91 HN ASP 91 1.787 23.470 -28.192 689 HA ASP 91 HA ASP 91 0.642 21.567 -26.304 690 HB2 ASP 91 HB2 ASP 91 3.533 22.152 -27.088 691 HB3 ASP 91 HB1 ASP 91 3.056 20.874 -25.977 692 H THR 92 HN THR 92 0.416 24.494 -25.745 693 HA THR 92 HA THR 92 1.750 24.744 -23.169 694 HB THR 92 HB THR 92 -0.385 26.466 -24.497 695 HG1 THR 92 HG1 THR 92 1.730 26.469 -25.482 696 HG21 THR 92 HG21 THR 92 -0.509 26.725 -22.047 697 HG22 THR 92 HG22 THR 92 0.163 28.178 -22.789 698 HG23 THR 92 HG23 THR 92 1.231 27.028 -21.981 699 H ALA 93 HN ALA 93 1.037 23.114 -21.858 700 HA ALA 93 HA ALA 93 -1.723 22.953 -20.984 701 HB1 ALA 93 HB1 ALA 93 -0.493 20.623 -22.523 702 HB2 ALA 93 HB2 ALA 93 -1.815 21.647 -23.088 703 HB3 ALA 93 HB3 ALA 93 -2.051 20.597 -21.691 704 H VAL 94 HN VAL 94 -1.800 20.706 -19.596 705 HA VAL 94 HA VAL 94 0.696 20.498 -18.022 706 HB VAL 94 HB VAL 94 -0.975 21.552 -16.624 707 HG11 VAL 94 HG11 VAL 94 -2.899 19.288 -17.244 708 HG12 VAL 94 HG12 VAL 94 -3.044 20.955 -17.803 709 HG13 VAL 94 HG13 VAL 94 -3.181 20.588 -16.081 710 HG21 VAL 94 HG21 VAL 94 0.453 19.891 -15.520 711 HG22 VAL 94 HG22 VAL 94 -0.740 18.630 -15.846 712 HG23 VAL 94 HG23 VAL 94 -1.136 19.958 -14.752 713 H TYR 95 HN TYR 95 1.663 18.680 -18.689 714 HA TYR 95 HA TYR 95 0.209 16.338 -19.596 715 HB2 TYR 95 HB2 TYR 95 3.159 17.039 -19.343 716 HB3 TYR 95 HB1 TYR 95 2.652 15.391 -19.682 717 HD1 TYR 95 HD1 TYR 95 2.806 14.791 -21.956 718 HD2 TYR 95 HD2 TYR 95 1.776 18.829 -20.997 719 HE1 TYR 95 HE1 TYR 95 2.661 15.325 -24.350 720 HE2 TYR 95 HE2 TYR 95 1.640 19.360 -23.395 721 HH TYR 95 HH TYR 95 2.484 18.495 -25.556 722 H LEU 96 HN LEU 96 -0.079 14.481 -18.406 723 HA LEU 96 HA LEU 96 0.980 14.400 -15.652 724 HB2 LEU 96 HB2 LEU 96 -1.186 13.541 -14.835 725 HB3 LEU 96 HB1 LEU 96 -1.299 15.160 -15.485 726 HG LEU 96 HG LEU 96 -2.134 13.810 -17.687 727 HD11 LEU 96 HD11 LEU 96 -1.890 11.579 -16.735 728 HD12 LEU 96 HD12 LEU 96 -3.578 11.925 -17.096 729 HD13 LEU 96 HD13 LEU 96 -3.006 11.988 -15.427 730 HD21 LEU 96 HD21 LEU 96 -3.411 15.602 -16.597 731 HD22 LEU 96 HD22 LEU 96 -3.953 14.481 -15.345 732 HD23 LEU 96 HD23 LEU 96 -4.464 14.251 -17.020 733 H CYS 97 HN CYS 97 1.996 12.578 -15.181 734 HA CYS 97 HA CYS 97 1.990 10.335 -17.044 735 HB2 CYS 97 HB2 CYS 97 4.159 11.172 -16.167 736 HB3 CYS 97 HB1 CYS 97 3.645 10.803 -14.524 737 HG CYS 97 HG CYS 97 3.405 8.164 -16.529 738 H ALA 98 HN ALA 98 0.652 8.696 -16.713 739 HA ALA 98 HA ALA 98 -0.535 8.226 -14.047 740 HB1 ALA 98 HB1 ALA 98 -2.158 8.997 -15.725 741 HB2 ALA 98 HB2 ALA 98 -2.489 7.330 -15.254 742 HB3 ALA 98 HB3 ALA 98 -1.701 7.672 -16.799 743 H ALA 99 HN ALA 99 -0.985 6.008 -13.549 744 HA ALA 99 HA ALA 99 0.512 3.936 -15.022 745 HB1 ALA 99 HB1 ALA 99 1.191 2.915 -12.881 746 HB2 ALA 99 HB2 ALA 99 0.425 4.236 -11.992 747 HB3 ALA 99 HB3 ALA 99 1.824 4.557 -13.016 748 H GLY 100 HN GLY 100 -0.308 1.716 -14.337 749 HA2 GLY 100 HA2 GLY 100 -2.827 1.409 -13.061 750 HA3 GLY 100 HA1 GLY 100 -3.027 1.434 -14.812 751 H VAL 101 HN VAL 101 -3.876 -0.731 -13.871 752 HA VAL 101 HA VAL 101 -1.761 -2.785 -14.091 753 HB VAL 101 HB VAL 101 -3.401 -4.384 -13.120 754 HG11 VAL 101 HG11 VAL 101 -2.979 -1.913 -11.395 755 HG12 VAL 101 HG12 VAL 101 -1.831 -3.236 -11.615 756 HG13 VAL 101 HG13 VAL 101 -3.366 -3.530 -10.795 757 HG21 VAL 101 HG21 VAL 101 -5.530 -3.356 -13.836 758 HG22 VAL 101 HG22 VAL 101 -5.250 -1.985 -12.761 759 HG23 VAL 101 HG23 VAL 101 -5.523 -3.593 -12.084 760 H TRP 102 HN TRP 102 -1.711 -4.026 -15.877 761 HA TRP 102 HA TRP 102 -3.467 -3.619 -18.077 762 HB2 TRP 102 HB2 TRP 102 -1.130 -4.426 -18.407 763 HB3 TRP 102 HB1 TRP 102 -1.526 -5.938 -17.593 764 HD1 TRP 102 HD1 TRP 102 -2.221 -4.057 -20.904 765 HE1 TRP 102 HE1 TRP 102 -3.141 -5.728 -22.622 766 HE3 TRP 102 HE3 TRP 102 -2.695 -8.194 -17.892 767 HZ2 TRP 102 HZ2 TRP 102 -3.957 -8.419 -22.716 768 HZ3 TRP 102 HZ3 TRP 102 -3.566 -10.278 -18.887 769 HH2 TRP 102 HH2 TRP 102 -4.183 -10.380 -21.254 770 H ARG 103 HN ARG 103 -5.433 -4.482 -18.407 771 HA ARG 103 HA ARG 103 -6.540 -6.381 -16.459 772 HB2 ARG 103 HB2 ARG 103 -7.949 -4.715 -18.596 773 HB3 ARG 103 HB1 ARG 103 -8.721 -5.621 -17.288 774 HG2 ARG 103 HG2 ARG 103 -7.554 -4.168 -15.626 775 HG3 ARG 103 HG1 ARG 103 -6.871 -3.228 -16.956 776 HD2 ARG 103 HD2 ARG 103 -9.100 -2.520 -17.642 777 HD3 ARG 103 HD1 ARG 103 -9.841 -3.561 -16.420 778 HE ARG 103 HE ARG 103 -8.116 -1.231 -15.784 779 HH11 ARG 103 HH11 ARG 103 -10.915 -3.213 -15.024 780 HH12 ARG 103 HH12 ARG 103 -11.390 -2.223 -13.683 781 HH21 ARG 103 HH21 ARG 103 -8.731 0.016 -14.022 782 HH22 ARG 103 HH22 ARG 103 -10.153 -0.404 -13.116 783 H SER 104 HN SER 104 -7.829 -8.198 -17.137 784 HA SER 104 HA SER 104 -6.640 -9.763 -19.210 785 HB2 SER 104 HB2 SER 104 -8.388 -11.467 -18.550 786 HB3 SER 104 HB1 SER 104 -7.426 -10.863 -17.202 787 HG SER 104 HG SER 104 -9.828 -11.005 -16.978 788 H SER 105 HN SER 105 -9.280 -7.570 -19.179 789 HA SER 105 HA SER 105 -10.692 -8.369 -21.515 790 HB2 SER 105 HB2 SER 105 -11.458 -5.965 -21.508 791 HB3 SER 105 HB1 SER 105 -11.624 -6.740 -19.932 792 HG SER 105 HG SER 105 -10.663 -4.805 -19.544 793 H GLY 106 HN GLY 106 -7.636 -6.852 -20.966 794 HA2 GLY 106 HA2 GLY 106 -5.920 -6.461 -22.539 795 HA3 GLY 106 HA1 GLY 106 -7.111 -6.416 -23.832 796 H TRP 107 HN TRP 107 -8.798 -4.682 -21.972 797 HA TRP 107 HA TRP 107 -7.978 -2.137 -23.065 798 HB2 TRP 107 HB2 TRP 107 -10.384 -3.016 -22.906 799 HB3 TRP 107 HB1 TRP 107 -10.298 -2.773 -21.170 800 HD1 TRP 107 HD1 TRP 107 -10.271 -0.166 -20.313 801 HE1 TRP 107 HE1 TRP 107 -11.172 1.967 -21.429 802 HE3 TRP 107 HE3 TRP 107 -10.694 -1.876 -25.124 803 HZ2 TRP 107 HZ2 TRP 107 -11.953 2.823 -24.001 804 HZ3 TRP 107 HZ3 TRP 107 -11.534 -0.334 -26.858 805 HH2 TRP 107 HH2 TRP 107 -12.153 1.971 -26.304 806 H ASP 108 HN ASP 108 -6.360 -1.075 -22.032 807 HA ASP 108 HA ASP 108 -5.867 -1.378 -19.174 808 HB2 ASP 108 HB2 ASP 108 -3.911 -1.401 -20.611 809 HB3 ASP 108 HB1 ASP 108 -4.382 0.114 -21.375 810 H THR 109 HN THR 109 -5.883 0.329 -17.679 811 HA THR 109 HA THR 109 -7.226 2.846 -18.465 812 HB THR 109 HB THR 109 -8.526 2.735 -16.287 813 HG1 THR 109 HG1 THR 109 -7.039 0.943 -15.502 814 HG21 THR 109 HG21 THR 109 -9.143 0.481 -18.236 815 HG22 THR 109 HG22 THR 109 -9.664 2.160 -18.408 816 HG23 THR 109 HG23 THR 109 -10.269 1.180 -17.070 817 HA PRO 110 HA PRO 110 -4.020 4.593 -15.714 818 HB2 PRO 110 HB2 PRO 110 -5.041 7.122 -15.419 819 HB3 PRO 110 HB1 PRO 110 -4.202 6.600 -16.888 820 HG2 PRO 110 HG2 PRO 110 -7.165 6.777 -16.360 821 HG3 PRO 110 HG1 PRO 110 -6.255 7.290 -17.798 822 HD2 PRO 110 HD2 PRO 110 -7.620 4.930 -17.710 823 HD3 PRO 110 HD1 PRO 110 -6.121 5.118 -18.645 824 H ASP 111 HN ASP 111 -4.511 3.217 -13.967 825 HA ASP 111 HA ASP 111 -6.761 3.739 -12.185 826 HB2 ASP 111 HB2 ASP 111 -4.498 1.704 -11.982 827 HB3 ASP 111 HB1 ASP 111 -5.912 1.759 -10.927 828 H TYR 112 HN TYR 112 -3.564 4.751 -12.477 829 HA TYR 112 HA TYR 112 -3.604 6.116 -9.874 830 HB2 TYR 112 HB2 TYR 112 -1.105 4.835 -11.105 831 HB3 TYR 112 HB1 TYR 112 -1.188 5.701 -9.573 832 HD1 TYR 112 HD1 TYR 112 -1.593 2.481 -11.197 833 HD2 TYR 112 HD2 TYR 112 -2.528 4.680 -7.649 834 HE1 TYR 112 HE1 TYR 112 -2.121 0.380 -10.036 835 HE2 TYR 112 HE2 TYR 112 -3.050 2.581 -6.483 836 HH TYR 112 HH TYR 112 -3.784 0.252 -7.113 837 H TRP 113 HN TRP 113 -2.461 8.134 -9.938 838 HA TRP 113 HA TRP 113 -1.600 9.146 -12.579 839 HB2 TRP 113 HB2 TRP 113 -3.540 10.564 -10.691 840 HB3 TRP 113 HB1 TRP 113 -2.764 11.342 -12.064 841 HD1 TRP 113 HD1 TRP 113 -3.629 10.630 -14.534 842 HE1 TRP 113 HE1 TRP 113 -5.850 9.617 -15.329 843 HE3 TRP 113 HE3 TRP 113 -5.394 8.893 -10.057 844 HZ2 TRP 113 HZ2 TRP 113 -8.054 8.260 -14.230 845 HZ3 TRP 113 HZ3 TRP 113 -7.570 7.737 -10.015 846 HH2 TRP 113 HH2 TRP 113 -8.874 7.428 -12.064 847 H GLY 114 HN GLY 114 -0.139 10.956 -12.451 848 HA2 GLY 114 HA2 GLY 114 1.695 10.809 -10.223 849 HA3 GLY 114 HA1 GLY 114 1.852 11.801 -11.665 850 H GLN 115 HN GLN 115 1.473 13.921 -11.495 851 HA GLN 115 HA GLN 115 -0.429 15.013 -9.580 852 HB2 GLN 115 HB2 GLN 115 1.161 16.580 -8.523 853 HB3 GLN 115 HB1 GLN 115 1.608 14.907 -8.210 854 HG2 GLN 115 HG2 GLN 115 3.350 15.055 -9.975 855 HG3 GLN 115 HG1 GLN 115 2.914 16.742 -10.243 856 HE21 GLN 115 HE21 GLN 115 3.137 15.138 -7.081 857 HE22 GLN 115 HE22 GLN 115 4.485 16.061 -6.518 858 H GLY 116 HN GLY 116 1.344 15.203 -12.493 859 HA2 GLY 116 HA2 GLY 116 0.692 16.371 -14.383 860 HA3 GLY 116 HA1 GLY 116 -0.221 17.493 -13.388 861 H THR 117 HN THR 117 2.651 17.028 -15.115 862 HA THR 117 HA THR 117 4.016 19.310 -13.881 863 HB THR 117 HB THR 117 5.370 17.322 -14.457 864 HG1 THR 117 HG1 THR 117 6.744 18.707 -16.128 865 HG21 THR 117 HG21 THR 117 4.716 17.918 -17.364 866 HG22 THR 117 HG22 THR 117 4.147 16.519 -16.449 867 HG23 THR 117 HG23 THR 117 5.869 16.713 -16.788 868 H GLN 118 HN GLN 118 3.780 21.315 -14.636 869 HA GLN 118 HA GLN 118 2.083 21.879 -16.915 870 HB2 GLN 118 HB2 GLN 118 3.349 23.575 -14.752 871 HB3 GLN 118 HB1 GLN 118 2.636 24.344 -16.164 872 HG2 GLN 118 HG2 GLN 118 1.012 22.386 -14.542 873 HG3 GLN 118 HG1 GLN 118 1.232 24.037 -13.976 874 HE21 GLN 118 HE21 GLN 118 0.882 23.213 -17.450 875 HE22 GLN 118 HE22 GLN 118 -0.669 23.942 -17.625 876 H VAL 119 HN VAL 119 2.889 21.932 -18.906 877 HA VAL 119 HA VAL 119 5.552 23.135 -19.430 878 HB VAL 119 HB VAL 119 5.622 21.919 -21.543 879 HG11 VAL 119 HG11 VAL 119 4.815 20.025 -19.299 880 HG12 VAL 119 HG12 VAL 119 6.428 20.690 -19.567 881 HG13 VAL 119 HG13 VAL 119 5.730 19.577 -20.744 882 HG21 VAL 119 HG21 VAL 119 2.854 20.822 -20.882 883 HG22 VAL 119 HG22 VAL 119 3.848 20.328 -22.257 884 HG23 VAL 119 HG23 VAL 119 3.233 21.978 -22.160 885 H THR 120 HN THR 120 5.665 24.881 -20.828 886 HA THR 120 HA THR 120 3.194 25.830 -22.160 887 HB THR 120 HB THR 120 5.100 27.566 -20.514 888 HG1 THR 120 HG1 THR 120 2.750 26.304 -19.942 889 HG21 THR 120 HG21 THR 120 3.568 29.445 -21.045 890 HG22 THR 120 HG22 THR 120 2.664 28.398 -22.139 891 HG23 THR 120 HG23 THR 120 4.340 28.814 -22.502 892 H VAL 121 HN VAL 121 3.811 25.447 -24.265 893 HA VAL 121 HA VAL 121 6.513 26.224 -25.112 894 HB VAL 121 HB VAL 121 4.293 25.029 -26.828 895 HG11 VAL 121 HG11 VAL 121 6.042 26.177 -28.134 896 HG12 VAL 121 HG12 VAL 121 6.148 24.431 -28.368 897 HG13 VAL 121 HG13 VAL 121 7.295 25.247 -27.303 898 HG21 VAL 121 HG21 VAL 121 4.835 23.467 -24.997 899 HG22 VAL 121 HG22 VAL 121 6.554 23.583 -25.381 900 HG23 VAL 121 HG23 VAL 121 5.441 22.844 -26.535 901 H SER 122 HN SER 122 6.559 28.456 -24.993 902 HA SER 122 HA SER 122 4.529 30.148 -26.172 903 HB2 SER 122 HB2 SER 122 6.052 30.920 -24.359 904 HB3 SER 122 HB1 SER 122 7.427 30.804 -25.457 905 HG SER 122 HG SER 122 5.145 32.451 -25.840 906 H SER 123 HN SER 123 4.620 31.298 -28.181 907 HA SER 123 HA SER 123 5.910 29.945 -30.383 908 HB2 SER 123 HB2 SER 123 4.400 32.599 -30.458 909 HB3 SER 123 HB1 SER 123 4.695 31.503 -31.814 910 HG SER 123 HG SER 123 2.824 31.396 -29.792 911 H LEU 124 HN LEU 124 8.108 30.252 -29.587 912 HA LEU 124 HA LEU 124 10.200 30.978 -29.927 913 HB2 LEU 124 HB2 LEU 124 9.065 31.988 -32.113 914 HB3 LEU 124 HB1 LEU 124 9.369 33.517 -31.327 915 HG LEU 124 HG LEU 124 11.093 32.847 -33.032 916 HD11 LEU 124 HD11 LEU 124 12.243 33.209 -30.263 917 HD12 LEU 124 HD12 LEU 124 11.702 34.489 -31.349 918 HD13 LEU 124 HD13 LEU 124 13.081 33.486 -31.794 919 HD21 LEU 124 HD21 LEU 124 12.729 31.104 -32.527 920 HD22 LEU 124 HD22 LEU 124 11.101 30.435 -32.624 921 HD23 LEU 124 HD23 LEU 124 11.856 30.686 -31.048 922 H GLU 125 HN GLU 125 7.869 33.142 -28.510 923 HA GLU 125 HA GLU 125 9.556 35.241 -27.665 924 HB2 GLU 125 HB2 GLU 125 6.808 34.385 -26.646 925 HB3 GLU 125 HB1 GLU 125 7.604 35.909 -26.250 926 HG2 GLU 125 HG2 GLU 125 7.559 36.561 -28.630 927 HG3 GLU 125 HG1 GLU 125 6.783 35.034 -29.044 928 H HIS 126 HN HIS 126 11.204 34.928 -26.354 929 HA HIS 126 HA HIS 126 11.185 33.059 -24.119 930 HB2 HIS 126 HB2 HIS 126 13.325 35.058 -25.009 931 HB3 HIS 126 HB1 HIS 126 13.537 33.799 -23.792 932 HD1 HIS 126 HD1 HIS 126 13.813 34.429 -27.360 933 HD2 HIS 126 HD2 HIS 126 13.344 31.104 -24.931 934 HE1 HIS 126 HE1 HIS 126 14.391 32.474 -28.804 935 HE2 HIS 126 HE2 HIS 126 14.336 30.498 -27.236 936 H HIS 127 HN HIS 127 12.109 34.026 -21.959 937 HA HIS 127 HA HIS 127 10.117 35.780 -20.944 938 HB2 HIS 127 HB2 HIS 127 11.433 35.668 -18.769 939 HB3 HIS 127 HB1 HIS 127 10.941 34.119 -19.435 940 HD1 HIS 127 HD1 HIS 127 12.832 32.611 -20.462 941 HD2 HIS 127 HD2 HIS 127 14.195 36.004 -18.494 942 HE1 HIS 127 HE1 HIS 127 15.283 32.248 -20.124 943 HE2 HIS 127 HE2 HIS 127 16.112 34.392 -19.128 944 H HIS 128 HN HIS 128 10.232 37.624 -22.178 945 HA HIS 128 HA HIS 128 12.440 39.531 -21.721 946 HB2 HIS 128 HB2 HIS 128 11.286 39.069 -24.022 947 HB3 HIS 128 HB1 HIS 128 9.923 39.982 -23.397 948 HD1 HIS 128 HD1 HIS 128 10.666 42.555 -22.602 949 HD2 HIS 128 HD2 HIS 128 13.097 40.586 -25.328 950 HE1 HIS 128 HE1 HIS 128 11.992 44.357 -23.732 951 HE2 HIS 128 HE2 HIS 128 13.310 43.156 -25.507 952 H HIS 129 HN HIS 129 9.802 38.478 -20.138 953 HA HIS 129 HA HIS 129 9.056 41.053 -18.897 954 HB2 HIS 129 HB2 HIS 129 7.197 39.737 -19.952 955 HB3 HIS 129 HB1 HIS 129 7.589 38.367 -18.925 956 HD1 HIS 129 HD1 HIS 129 5.649 41.502 -19.009 957 HD2 HIS 129 HD2 HIS 129 6.893 38.756 -16.153 958 HE1 HIS 129 HE1 HIS 129 4.244 41.965 -16.977 959 HE2 HIS 129 HE2 HIS 129 5.054 40.326 -15.241 960 H HIS 130 HN HIS 130 9.992 41.384 -16.946 961 HA HIS 130 HA HIS 130 11.402 39.321 -15.508 962 HB2 HIS 130 HB2 HIS 130 12.006 41.036 -13.882 963 HB3 HIS 130 HB1 HIS 130 12.181 41.713 -15.496 964 HD1 HIS 130 HD1 HIS 130 9.751 41.823 -12.549 965 HD2 HIS 130 HD2 HIS 130 10.821 44.081 -15.877 966 HE1 HIS 130 HE1 HIS 130 8.488 43.982 -12.336 967 HE2 HIS 130 HE2 HIS 130 9.043 45.265 -14.431 968 H HIS 131 HN HIS 131 10.926 38.554 -13.418 969 HA HIS 131 HA HIS 131 8.107 38.281 -12.772 970 HB2 HIS 131 HB2 HIS 131 9.005 36.736 -10.931 971 HB3 HIS 131 HB1 HIS 131 9.334 36.248 -12.587 972 HD1 HIS 131 HD1 HIS 131 11.839 36.704 -13.445 973 HD2 HIS 131 HD2 HIS 131 11.230 36.975 -9.341 974 HE1 HIS 131 HE1 HIS 131 14.130 36.670 -12.417 975 HE2 HIS 131 HE2 HIS 131 13.732 37.066 -9.966 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 3.942 3.633 -0.918 2 H2 MET 1 HT2 MET 1 4.314 2.132 -1.592 3 H3 MET 1 HT3 MET 1 4.195 2.295 0.080 4 HA MET 1 HA MET 1 2.266 1.207 -0.838 5 HB2 MET 1 HB2 MET 1 1.694 4.016 0.206 6 HB3 MET 1 HB1 MET 1 0.534 2.694 0.167 7 HG2 MET 1 HG2 MET 1 1.959 1.433 1.755 8 HG3 MET 1 HG1 MET 1 3.060 2.815 1.830 9 HE1 MET 1 HE1 MET 1 1.807 1.597 4.492 10 HE2 MET 1 HE2 MET 1 1.298 3.063 5.328 11 HE3 MET 1 HE3 MET 1 2.844 3.025 4.480 12 H GLN 2 HN GLN 2 1.397 0.872 -2.777 13 HA GLN 2 HA GLN 2 0.325 1.107 -4.741 14 HB2 GLN 2 HB2 GLN 2 -0.524 3.653 -3.343 15 HB3 GLN 2 HB1 GLN 2 -1.017 3.361 -4.999 16 HG2 GLN 2 HG2 GLN 2 -2.843 2.688 -3.665 17 HG3 GLN 2 HG1 GLN 2 -2.081 1.207 -4.213 18 HE21 GLN 2 HE21 GLN 2 -3.888 1.723 -1.961 19 HE22 GLN 2 HE22 GLN 2 -3.077 1.129 -0.553 20 H LEU 3 HN LEU 3 -0.014 3.146 -6.619 21 HA LEU 3 HA LEU 3 2.758 3.752 -7.378 22 HB2 LEU 3 HB2 LEU 3 0.174 3.711 -8.938 23 HB3 LEU 3 HB1 LEU 3 1.524 4.648 -9.544 24 HG LEU 3 HG LEU 3 1.586 2.549 -10.655 25 HD11 LEU 3 HD11 LEU 3 3.724 2.536 -8.505 26 HD12 LEU 3 HD12 LEU 3 3.749 3.481 -9.996 27 HD13 LEU 3 HD13 LEU 3 3.803 1.719 -10.072 28 HD21 LEU 3 HD21 LEU 3 1.484 1.155 -7.957 29 HD22 LEU 3 HD22 LEU 3 1.678 0.368 -9.527 30 HD23 LEU 3 HD23 LEU 3 0.186 1.223 -9.152 31 H GLN 4 HN GLN 4 3.580 5.537 -6.688 32 HA GLN 4 HA GLN 4 2.051 8.047 -6.660 33 HB2 GLN 4 HB2 GLN 4 4.836 7.497 -5.545 34 HB3 GLN 4 HB1 GLN 4 3.881 8.961 -5.310 35 HG2 GLN 4 HG2 GLN 4 2.259 7.698 -3.958 36 HG3 GLN 4 HG1 GLN 4 3.171 6.207 -4.236 37 HE21 GLN 4 HE21 GLN 4 5.196 5.960 -3.237 38 HE22 GLN 4 HE22 GLN 4 5.661 6.911 -1.874 39 H LEU 5 HN LEU 5 2.225 9.053 -8.606 40 HA LEU 5 HA LEU 5 4.769 8.894 -10.107 41 HB2 LEU 5 HB2 LEU 5 2.032 9.845 -11.030 42 HB3 LEU 5 HB1 LEU 5 3.460 9.685 -12.041 43 HG LEU 5 HG LEU 5 2.038 7.358 -10.682 44 HD11 LEU 5 HD11 LEU 5 1.109 6.809 -12.863 45 HD12 LEU 5 HD12 LEU 5 1.859 8.237 -13.574 46 HD13 LEU 5 HD13 LEU 5 0.598 8.414 -12.354 47 HD21 LEU 5 HD21 LEU 5 4.243 7.350 -12.784 48 HD22 LEU 5 HD22 LEU 5 3.412 5.927 -12.152 49 HD23 LEU 5 HD23 LEU 5 4.418 6.900 -11.084 50 H VAL 6 HN VAL 6 6.093 10.575 -9.707 51 HA VAL 6 HA VAL 6 4.934 13.283 -9.389 52 HB VAL 6 HB VAL 6 7.665 12.393 -8.356 53 HG11 VAL 6 HG11 VAL 6 7.556 14.786 -8.933 54 HG12 VAL 6 HG12 VAL 6 7.667 14.588 -7.184 55 HG13 VAL 6 HG13 VAL 6 6.116 14.987 -7.928 56 HG21 VAL 6 HG21 VAL 6 5.107 12.814 -6.744 57 HG22 VAL 6 HG22 VAL 6 6.708 12.505 -6.065 58 HG23 VAL 6 HG23 VAL 6 5.910 11.267 -7.036 59 H GLU 7 HN GLU 7 4.930 14.033 -11.385 60 HA GLU 7 HA GLU 7 7.093 13.612 -13.276 61 HB2 GLU 7 HB2 GLU 7 4.590 15.348 -13.581 62 HB3 GLU 7 HB1 GLU 7 5.728 14.933 -14.853 63 HG2 GLU 7 HG2 GLU 7 3.996 13.477 -15.301 64 HG3 GLU 7 HG1 GLU 7 5.063 12.466 -14.341 65 H SER 8 HN SER 8 8.289 15.309 -14.186 66 HA SER 8 HA SER 8 8.442 17.925 -13.012 67 HB2 SER 8 HB2 SER 8 10.837 17.521 -12.157 68 HB3 SER 8 HB1 SER 8 9.557 16.776 -11.200 69 HG SER 8 HG SER 8 9.989 14.846 -12.557 70 H GLY 9 HN GLY 9 10.387 19.109 -13.931 71 HA2 GLY 9 HA2 GLY 9 12.002 19.443 -15.626 72 HA3 GLY 9 HA1 GLY 9 11.363 18.074 -16.523 73 H GLY 10 HN GLY 10 8.663 19.652 -15.608 74 HA2 GLY 10 HA2 GLY 10 8.103 20.798 -18.152 75 HA3 GLY 10 HA1 GLY 10 7.124 20.950 -16.700 76 H GLY 11 HN GLY 11 7.879 22.934 -18.784 77 HA2 GLY 11 HA2 GLY 11 8.176 25.230 -17.185 78 HA3 GLY 11 HA1 GLY 11 9.752 24.825 -17.864 79 H LEU 12 HN LEU 12 9.146 27.111 -18.682 80 HA LEU 12 HA LEU 12 7.461 27.082 -21.051 81 HB2 LEU 12 HB2 LEU 12 7.363 28.984 -19.426 82 HB3 LEU 12 HB1 LEU 12 8.993 29.394 -19.881 83 HG LEU 12 HG LEU 12 6.903 29.340 -22.048 84 HD11 LEU 12 HD11 LEU 12 7.232 31.672 -20.133 85 HD12 LEU 12 HD12 LEU 12 5.813 30.633 -20.292 86 HD13 LEU 12 HD13 LEU 12 6.288 31.679 -21.628 87 HD21 LEU 12 HD21 LEU 12 9.355 31.107 -21.643 88 HD22 LEU 12 HD22 LEU 12 8.258 31.163 -23.026 89 HD23 LEU 12 HD23 LEU 12 9.231 29.727 -22.738 90 H VAL 13 HN VAL 13 8.335 26.251 -22.807 91 HA VAL 13 HA VAL 13 10.916 27.346 -23.793 92 HB VAL 13 HB VAL 13 11.056 25.441 -25.369 93 HG11 VAL 13 HG11 VAL 13 11.608 23.624 -23.773 94 HG12 VAL 13 HG12 VAL 13 10.731 24.478 -22.500 95 HG13 VAL 13 HG13 VAL 13 12.188 25.190 -23.198 96 HG21 VAL 13 HG21 VAL 13 8.663 24.956 -25.679 97 HG22 VAL 13 HG22 VAL 13 8.550 24.350 -24.026 98 HG23 VAL 13 HG23 VAL 13 9.526 23.486 -25.214 99 H GLN 14 HN GLN 14 10.832 27.833 -26.189 100 HA GLN 14 HA GLN 14 8.326 29.158 -26.900 101 HB2 GLN 14 HB2 GLN 14 9.537 30.173 -28.756 102 HB3 GLN 14 HB1 GLN 14 10.523 30.312 -27.310 103 HG2 GLN 14 HG2 GLN 14 10.957 28.166 -29.410 104 HG3 GLN 14 HG1 GLN 14 11.754 29.735 -29.454 105 HE21 GLN 14 HE21 GLN 14 12.834 26.976 -29.159 106 HE22 GLN 14 HE22 GLN 14 13.811 27.036 -27.736 107 H ALA 15 HN ALA 15 7.309 28.819 -28.997 108 HA ALA 15 HA ALA 15 6.841 26.135 -29.750 109 HB1 ALA 15 HB1 ALA 15 5.168 27.921 -30.068 110 HB2 ALA 15 HB2 ALA 15 5.506 27.092 -31.589 111 HB3 ALA 15 HB3 ALA 15 6.201 28.681 -31.277 112 H GLY 16 HN GLY 16 8.178 24.866 -30.835 113 HA2 GLY 16 HA2 GLY 16 9.513 24.324 -32.782 114 HA3 GLY 16 HA1 GLY 16 10.169 25.957 -32.758 115 H GLY 17 HN GLY 17 9.920 25.081 -29.615 116 HA2 GLY 17 HA2 GLY 17 12.752 24.442 -29.350 117 HA3 GLY 17 HA1 GLY 17 11.634 24.868 -28.064 118 H SER 18 HN SER 18 12.792 23.070 -27.002 119 HA SER 18 HA SER 18 11.379 20.533 -27.353 120 HB2 SER 18 HB2 SER 18 13.537 19.250 -27.205 121 HB3 SER 18 HB1 SER 18 13.411 20.204 -28.683 122 HG SER 18 HG SER 18 14.975 20.699 -26.386 123 H LEU 19 HN LEU 19 11.005 19.505 -25.442 124 HA LEU 19 HA LEU 19 12.270 20.440 -22.957 125 HB2 LEU 19 HB2 LEU 19 10.172 21.769 -23.352 126 HB3 LEU 19 HB1 LEU 19 9.258 20.272 -23.362 127 HG LEU 19 HG LEU 19 9.895 19.876 -20.980 128 HD11 LEU 19 HD11 LEU 19 10.938 21.661 -19.659 129 HD12 LEU 19 HD12 LEU 19 11.199 22.610 -21.124 130 HD13 LEU 19 HD13 LEU 19 12.026 21.065 -20.912 131 HD21 LEU 19 HD21 LEU 19 8.570 22.561 -21.479 132 HD22 LEU 19 HD22 LEU 19 8.450 21.601 -19.999 133 HD23 LEU 19 HD23 LEU 19 7.774 20.983 -21.505 134 H ARG 20 HN ARG 20 12.792 18.762 -21.702 135 HA ARG 20 HA ARG 20 11.644 16.092 -22.240 136 HB2 ARG 20 HB2 ARG 20 14.122 16.319 -22.427 137 HB3 ARG 20 HB1 ARG 20 14.201 16.826 -20.744 138 HG2 ARG 20 HG2 ARG 20 13.214 14.577 -20.108 139 HG3 ARG 20 HG1 ARG 20 13.361 14.101 -21.801 140 HD2 ARG 20 HD2 ARG 20 15.249 13.238 -20.531 141 HD3 ARG 20 HD1 ARG 20 15.815 14.465 -21.666 142 HE ARG 20 HE ARG 20 15.570 15.987 -19.542 143 HH11 ARG 20 HH11 ARG 20 16.820 12.695 -19.587 144 HH12 ARG 20 HH12 ARG 20 17.881 12.960 -18.243 145 HH21 ARG 20 HH21 ARG 20 16.974 16.319 -17.798 146 HH22 ARG 20 HH22 ARG 20 17.965 15.017 -17.225 147 H LEU 21 HN LEU 21 10.643 14.957 -20.667 148 HA LEU 21 HA LEU 21 10.200 16.177 -18.014 149 HB2 LEU 21 HB2 LEU 21 8.366 14.286 -19.561 150 HB3 LEU 21 HB1 LEU 21 8.060 14.908 -17.954 151 HG LEU 21 HG LEU 21 6.665 16.197 -19.335 152 HD11 LEU 21 HD11 LEU 21 7.480 18.478 -19.239 153 HD12 LEU 21 HD12 LEU 21 9.134 17.912 -19.009 154 HD13 LEU 21 HD13 LEU 21 7.910 17.598 -17.775 155 HD21 LEU 21 HD21 LEU 21 8.933 16.574 -21.312 156 HD22 LEU 21 HD22 LEU 21 7.310 17.257 -21.447 157 HD23 LEU 21 HD23 LEU 21 7.535 15.512 -21.505 158 H SER 22 HN SER 22 9.966 14.662 -16.249 159 HA SER 22 HA SER 22 10.937 11.913 -16.570 160 HB2 SER 22 HB2 SER 22 12.225 13.833 -14.561 161 HB3 SER 22 HB1 SER 22 12.681 12.157 -14.883 162 HG SER 22 HG SER 22 12.904 13.214 -17.181 163 H CYS 23 HN CYS 23 9.646 10.616 -15.298 164 HA CYS 23 HA CYS 23 8.240 11.785 -12.956 165 HB2 CYS 23 HB2 CYS 23 6.309 10.320 -13.506 166 HB3 CYS 23 HB1 CYS 23 6.648 11.450 -14.813 167 HG CYS 23 HG CYS 23 6.029 9.271 -16.230 168 H VAL 24 HN VAL 24 9.019 10.852 -11.151 169 HA VAL 24 HA VAL 24 10.259 8.203 -11.216 170 HB VAL 24 HB VAL 24 9.882 10.067 -8.823 171 HG11 VAL 24 HG11 VAL 24 11.721 7.655 -9.156 172 HG12 VAL 24 HG12 VAL 24 10.269 7.724 -8.152 173 HG13 VAL 24 HG13 VAL 24 11.666 8.720 -7.746 174 HG21 VAL 24 HG21 VAL 24 11.234 11.190 -10.561 175 HG22 VAL 24 HG22 VAL 24 12.319 9.801 -10.644 176 HG23 VAL 24 HG23 VAL 24 12.242 10.772 -9.172 177 H ALA 25 HN ALA 25 9.372 6.391 -10.344 178 HA ALA 25 HA ALA 25 6.506 6.421 -9.681 179 HB1 ALA 25 HB1 ALA 25 6.514 4.055 -10.380 180 HB2 ALA 25 HB2 ALA 25 8.256 4.138 -10.662 181 HB3 ALA 25 HB3 ALA 25 7.157 5.094 -11.657 182 H SER 26 HN SER 26 6.537 6.793 -7.526 183 HA SER 26 HA SER 26 6.223 6.244 -5.390 184 HB2 SER 26 HB2 SER 26 6.878 3.403 -6.268 185 HB3 SER 26 HB1 SER 26 6.061 3.861 -4.777 186 HG SER 26 HG SER 26 4.502 3.305 -6.251 187 H GLY 27 HN GLY 27 8.769 7.212 -6.230 188 HA2 GLY 27 HA2 GLY 27 10.894 7.617 -5.458 189 HA3 GLY 27 HA1 GLY 27 10.346 6.979 -3.913 190 H ARG 28 HN ARG 28 11.052 5.711 -7.170 191 HA ARG 28 HA ARG 28 12.166 3.927 -7.984 192 HB2 ARG 28 HB2 ARG 28 14.140 4.956 -6.913 193 HB3 ARG 28 HB1 ARG 28 13.778 4.121 -5.406 194 HG2 ARG 28 HG2 ARG 28 14.142 1.933 -6.604 195 HG3 ARG 28 HG1 ARG 28 14.651 2.851 -8.024 196 HD2 ARG 28 HD2 ARG 28 16.603 2.098 -6.781 197 HD3 ARG 28 HD1 ARG 28 16.487 3.859 -6.679 198 HE ARG 28 HE ARG 28 15.157 2.773 -4.468 199 HH11 ARG 28 HH11 ARG 28 18.450 3.042 -5.652 200 HH12 ARG 28 HH12 ARG 28 19.143 2.925 -4.068 201 HH21 ARG 28 HH21 ARG 28 16.076 2.611 -2.415 202 HH22 ARG 28 HH22 ARG 28 17.800 2.671 -2.237 203 H THR 29 HN THR 29 9.955 2.996 -7.509 204 HA THR 29 HA THR 29 10.361 0.367 -6.253 205 HB THR 29 HB THR 29 7.776 1.957 -5.905 206 HG1 THR 29 HG1 THR 29 9.442 2.834 -4.630 207 HG21 THR 29 HG21 THR 29 8.662 -0.666 -4.644 208 HG22 THR 29 HG22 THR 29 7.443 -0.504 -5.911 209 HG23 THR 29 HG23 THR 29 7.151 0.182 -4.310 210 H PHE 30 HN PHE 30 9.378 -1.301 -7.393 211 HA PHE 30 HA PHE 30 8.154 -0.628 -10.005 212 HB2 PHE 30 HB2 PHE 30 10.240 -1.992 -10.093 213 HB3 PHE 30 HB1 PHE 30 9.495 -3.212 -9.069 214 HD1 PHE 30 HD1 PHE 30 9.003 -1.463 -12.359 215 HD2 PHE 30 HD2 PHE 30 8.371 -5.043 -10.096 216 HE1 PHE 30 HE1 PHE 30 8.116 -2.581 -14.362 217 HE2 PHE 30 HE2 PHE 30 7.487 -6.151 -12.109 218 HZ PHE 30 HZ PHE 30 7.361 -4.923 -14.244 219 H ARG 31 HN ARG 31 6.051 -0.942 -10.170 220 HA ARG 31 HA ARG 31 4.573 -2.982 -8.676 221 HB2 ARG 31 HB2 ARG 31 4.248 0.007 -8.277 222 HB3 ARG 31 HB1 ARG 31 2.816 -1.005 -8.201 223 HG2 ARG 31 HG2 ARG 31 5.254 -1.309 -6.409 224 HG3 ARG 31 HG1 ARG 31 3.741 -0.508 -5.966 225 HD2 ARG 31 HD2 ARG 31 2.583 -2.736 -6.532 226 HD3 ARG 31 HD1 ARG 31 4.198 -3.448 -6.549 227 HE ARG 31 HE ARG 31 4.122 -2.250 -4.140 228 HH11 ARG 31 HH11 ARG 31 1.856 -4.428 -5.706 229 HH12 ARG 31 HH12 ARG 31 1.298 -5.111 -4.217 230 HH21 ARG 31 HH21 ARG 31 3.352 -3.140 -2.189 231 HH22 ARG 31 HH22 ARG 31 2.145 -4.383 -2.228 232 H SER 32 HN SER 32 4.294 -0.149 -10.827 233 HA SER 32 HA SER 32 2.169 -1.340 -12.417 234 HB2 SER 32 HB2 SER 32 2.161 1.095 -11.984 235 HB3 SER 32 HB1 SER 32 3.723 1.264 -12.779 236 HG SER 32 HG SER 32 1.185 0.798 -13.883 237 H ASN 33 HN ASN 33 2.377 -1.447 -14.750 238 HA ASN 33 HA ASN 33 5.012 -1.811 -15.958 239 HB2 ASN 33 HB2 ASN 33 4.536 -4.059 -16.812 240 HB3 ASN 33 HB1 ASN 33 4.419 -4.081 -15.059 241 HD21 ASN 33 HD21 ASN 33 2.279 -4.124 -14.111 242 HD22 ASN 33 HD22 ASN 33 0.956 -4.798 -14.996 243 H ALA 34 HN ALA 34 2.235 -0.298 -16.019 244 HA ALA 34 HA ALA 34 2.197 0.082 -18.914 245 HB1 ALA 34 HB1 ALA 34 0.424 -1.609 -18.564 246 HB2 ALA 34 HB2 ALA 34 -0.297 -0.057 -18.988 247 HB3 ALA 34 HB3 ALA 34 -0.317 -0.611 -17.309 248 H MET 35 HN MET 35 2.369 2.255 -19.115 249 HA MET 35 HA MET 35 1.232 4.101 -17.167 250 HB2 MET 35 HB2 MET 35 3.572 3.160 -16.364 251 HB3 MET 35 HB1 MET 35 4.248 4.190 -17.615 252 HG2 MET 35 HG2 MET 35 3.116 6.137 -16.517 253 HG3 MET 35 HG1 MET 35 2.615 5.039 -15.228 254 HE1 MET 35 HE1 MET 35 4.339 3.844 -13.536 255 HE2 MET 35 HE2 MET 35 6.089 4.028 -13.646 256 HE3 MET 35 HE3 MET 35 5.216 3.149 -14.901 257 H GLY 36 HN GLY 36 0.463 5.762 -18.364 258 HA2 GLY 36 HA2 GLY 36 1.570 6.216 -21.085 259 HA3 GLY 36 HA1 GLY 36 -0.124 6.372 -20.648 260 H TRP 37 HN TRP 37 2.033 8.247 -21.745 261 HA TRP 37 HA TRP 37 1.839 10.486 -19.871 262 HB2 TRP 37 HB2 TRP 37 3.068 10.282 -22.662 263 HB3 TRP 37 HB1 TRP 37 3.049 11.758 -21.699 264 HD1 TRP 37 HD1 TRP 37 4.741 8.320 -21.856 265 HE1 TRP 37 HE1 TRP 37 6.809 8.361 -20.338 266 HE3 TRP 37 HE3 TRP 37 4.010 12.857 -19.571 267 HZ2 TRP 37 HZ2 TRP 37 7.976 10.053 -18.424 268 HZ3 TRP 37 HZ3 TRP 37 5.663 13.610 -17.898 269 HH2 TRP 37 HH2 TRP 37 7.610 12.231 -17.336 270 H PHE 38 HN PHE 38 0.441 12.114 -20.069 271 HA PHE 38 HA PHE 38 -1.416 12.287 -22.351 272 HB2 PHE 38 HB2 PHE 38 -2.189 12.276 -19.391 273 HB3 PHE 38 HB1 PHE 38 -3.279 12.744 -20.687 274 HD1 PHE 38 HD1 PHE 38 -1.511 9.883 -19.119 275 HD2 PHE 38 HD2 PHE 38 -4.369 11.068 -22.069 276 HE1 PHE 38 HE1 PHE 38 -2.220 7.543 -19.382 277 HE2 PHE 38 HE2 PHE 38 -5.066 8.725 -22.326 278 HZ PHE 38 HZ PHE 38 -3.991 6.960 -20.990 279 H ARG 39 HN ARG 39 -2.035 14.387 -22.841 280 HA ARG 39 HA ARG 39 -0.851 16.628 -21.286 281 HB2 ARG 39 HB2 ARG 39 -1.080 17.986 -23.269 282 HB3 ARG 39 HB1 ARG 39 -0.390 16.459 -23.804 283 HG2 ARG 39 HG2 ARG 39 -2.622 15.723 -24.598 284 HG3 ARG 39 HG1 ARG 39 -3.320 17.250 -24.058 285 HD2 ARG 39 HD2 ARG 39 -2.992 17.398 -26.421 286 HD3 ARG 39 HD1 ARG 39 -1.771 18.429 -25.666 287 HE ARG 39 HE ARG 39 -1.143 15.662 -26.489 288 HH11 ARG 39 HH11 ARG 39 -0.467 19.105 -26.736 289 HH12 ARG 39 HH12 ARG 39 0.970 18.883 -27.679 290 HH21 ARG 39 HH21 ARG 39 0.736 15.394 -27.759 291 HH22 ARG 39 HH22 ARG 39 1.644 16.783 -28.263 292 H GLN 40 HN GLN 40 -2.297 18.263 -20.461 293 HA GLN 40 HA GLN 40 -5.147 18.088 -21.101 294 HB2 GLN 40 HB2 GLN 40 -4.882 16.472 -19.235 295 HB3 GLN 40 HB1 GLN 40 -4.135 17.713 -18.238 296 HG2 GLN 40 HG2 GLN 40 -6.207 18.943 -18.095 297 HG3 GLN 40 HG1 GLN 40 -6.962 17.913 -19.309 298 HE21 GLN 40 HE21 GLN 40 -8.663 17.377 -17.944 299 HE22 GLN 40 HE22 GLN 40 -8.489 16.330 -16.587 300 H ALA 41 HN ALA 41 -5.967 20.076 -21.234 301 HA ALA 41 HA ALA 41 -4.532 22.367 -20.036 302 HB1 ALA 41 HB1 ALA 41 -6.617 22.272 -22.257 303 HB2 ALA 41 HB2 ALA 41 -4.879 22.475 -22.470 304 HB3 ALA 41 HB3 ALA 41 -5.819 23.734 -21.668 305 HA PRO 42 HA PRO 42 -7.765 23.085 -16.974 306 HB2 PRO 42 HB2 PRO 42 -8.361 25.803 -17.269 307 HB3 PRO 42 HB1 PRO 42 -6.968 25.177 -16.380 308 HG2 PRO 42 HG2 PRO 42 -7.111 26.174 -19.222 309 HG3 PRO 42 HG1 PRO 42 -5.887 26.517 -17.979 310 HD2 PRO 42 HD2 PRO 42 -5.384 24.719 -19.894 311 HD3 PRO 42 HD1 PRO 42 -4.863 24.403 -18.223 312 H GLY 43 HN GLY 43 -9.692 22.140 -17.321 313 HA2 GLY 43 HA2 GLY 43 -11.929 21.952 -17.885 314 HA3 GLY 43 HA1 GLY 43 -11.810 23.418 -18.846 315 H LYS 44 HN LYS 44 -9.522 20.882 -19.395 316 HA LYS 44 HA LYS 44 -10.957 19.887 -21.793 317 HB2 LYS 44 HB2 LYS 44 -8.001 20.621 -21.573 318 HB3 LYS 44 HB1 LYS 44 -8.700 19.755 -22.932 319 HG2 LYS 44 HG2 LYS 44 -9.766 22.487 -22.196 320 HG3 LYS 44 HG1 LYS 44 -8.257 22.344 -23.089 321 HD2 LYS 44 HD2 LYS 44 -10.002 22.689 -24.700 322 HD3 LYS 44 HD1 LYS 44 -9.486 21.012 -24.843 323 HE2 LYS 44 HE2 LYS 44 -11.487 20.309 -23.550 324 HE3 LYS 44 HE1 LYS 44 -11.996 21.996 -23.435 325 HZ1 LYS 44 HZ1 LYS 44 -11.686 20.414 -25.924 326 HZ2 LYS 44 HZ2 LYS 44 -12.098 22.052 -25.862 327 HZ3 LYS 44 HZ3 LYS 44 -13.142 20.894 -25.208 328 H GLU 45 HN GLU 45 -10.392 17.712 -22.377 329 HA GLU 45 HA GLU 45 -9.857 15.989 -20.107 330 HB2 GLU 45 HB2 GLU 45 -10.432 15.349 -23.033 331 HB3 GLU 45 HB1 GLU 45 -10.327 14.151 -21.739 332 HG2 GLU 45 HG2 GLU 45 -12.235 15.257 -20.595 333 HG3 GLU 45 HG1 GLU 45 -12.364 16.392 -21.939 334 H ARG 46 HN ARG 46 -8.182 14.441 -19.971 335 HA ARG 46 HA ARG 46 -5.678 15.284 -21.071 336 HB2 ARG 46 HB2 ARG 46 -4.588 13.600 -19.722 337 HB3 ARG 46 HB1 ARG 46 -5.739 14.481 -18.749 338 HG2 ARG 46 HG2 ARG 46 -6.339 11.724 -19.857 339 HG3 ARG 46 HG1 ARG 46 -5.483 11.962 -18.339 340 HD2 ARG 46 HD2 ARG 46 -7.680 11.648 -17.622 341 HD3 ARG 46 HD1 ARG 46 -7.559 13.408 -17.670 342 HE ARG 46 HE ARG 46 -8.565 12.281 -20.123 343 HH11 ARG 46 HH11 ARG 46 -9.542 13.454 -16.936 344 HH12 ARG 46 HH12 ARG 46 -11.212 13.581 -17.373 345 HH21 ARG 46 HH21 ARG 46 -10.760 12.477 -20.657 346 HH22 ARG 46 HH22 ARG 46 -11.899 13.027 -19.479 347 H GLU 47 HN GLU 47 -4.936 14.778 -22.999 348 HA GLU 47 HA GLU 47 -6.191 12.663 -24.581 349 HB2 GLU 47 HB2 GLU 47 -6.143 14.926 -25.537 350 HB3 GLU 47 HB1 GLU 47 -4.400 15.009 -25.341 351 HG2 GLU 47 HG2 GLU 47 -5.012 14.622 -27.680 352 HG3 GLU 47 HG1 GLU 47 -4.085 13.269 -27.032 353 H PHE 48 HN PHE 48 -5.094 11.023 -25.452 354 HA PHE 48 HA PHE 48 -2.858 9.916 -24.132 355 HB2 PHE 48 HB2 PHE 48 -4.783 8.676 -25.166 356 HB3 PHE 48 HB1 PHE 48 -4.189 9.113 -26.759 357 HD1 PHE 48 HD1 PHE 48 -3.631 6.977 -23.802 358 HD2 PHE 48 HD2 PHE 48 -2.250 7.946 -27.736 359 HE1 PHE 48 HE1 PHE 48 -2.293 4.916 -23.849 360 HE2 PHE 48 HE2 PHE 48 -0.915 5.885 -27.768 361 HZ PHE 48 HZ PHE 48 -0.937 4.372 -25.832 362 H VAL 49 HN VAL 49 -0.850 10.729 -24.380 363 HA VAL 49 HA VAL 49 0.124 11.719 -26.976 364 HB VAL 49 HB VAL 49 1.465 11.800 -24.227 365 HG11 VAL 49 HG11 VAL 49 3.155 11.854 -26.026 366 HG12 VAL 49 HG12 VAL 49 3.056 13.424 -25.230 367 HG13 VAL 49 HG13 VAL 49 2.307 13.192 -26.811 368 HG21 VAL 49 HG21 VAL 49 -0.575 13.185 -24.278 369 HG22 VAL 49 HG22 VAL 49 0.007 14.022 -25.720 370 HG23 VAL 49 HG23 VAL 49 0.864 14.204 -24.188 371 H ALA 50 HN ALA 50 0.961 9.342 -24.434 372 HA ALA 50 HA ALA 50 2.120 7.486 -26.345 373 HB1 ALA 50 HB1 ALA 50 4.351 7.398 -25.291 374 HB2 ALA 50 HB2 ALA 50 3.903 8.716 -24.202 375 HB3 ALA 50 HB3 ALA 50 4.027 9.008 -25.938 376 H ALA 51 HN ALA 51 2.993 5.496 -25.122 377 HA ALA 51 HA ALA 51 2.018 5.023 -22.441 378 HB1 ALA 51 HB1 ALA 51 0.629 3.066 -22.997 379 HB2 ALA 51 HB2 ALA 51 0.858 3.381 -24.721 380 HB3 ALA 51 HB3 ALA 51 -0.018 4.537 -23.720 381 H ILE 52 HN ILE 52 3.305 3.701 -21.433 382 HA ILE 52 HA ILE 52 5.299 2.083 -22.879 383 HB ILE 52 HB ILE 52 5.473 3.319 -20.074 384 HG12 ILE 52 HG12 ILE 52 7.519 4.557 -21.147 385 HG13 ILE 52 HG11 ILE 52 6.807 4.123 -22.694 386 HG21 ILE 52 HG21 ILE 52 7.538 1.663 -21.561 387 HG22 ILE 52 HG22 ILE 52 6.616 1.156 -20.146 388 HG23 ILE 52 HG23 ILE 52 7.792 2.464 -20.008 389 HD11 ILE 52 HD11 ILE 52 5.505 5.826 -20.571 390 HD12 ILE 52 HD12 ILE 52 4.832 5.442 -22.157 391 HD13 ILE 52 HD13 ILE 52 6.301 6.406 -22.032 392 H ARG 53 HN ARG 53 4.536 0.033 -22.895 393 HA ARG 53 HA ARG 53 3.555 -1.194 -20.380 394 HB2 ARG 53 HB2 ARG 53 2.873 -1.971 -23.256 395 HB3 ARG 53 HB1 ARG 53 2.381 -2.878 -21.826 396 HG2 ARG 53 HG2 ARG 53 1.083 -0.898 -21.048 397 HG3 ARG 53 HG1 ARG 53 1.544 -0.044 -22.522 398 HD2 ARG 53 HD2 ARG 53 0.394 -1.787 -23.871 399 HD3 ARG 53 HD1 ARG 53 -0.102 -2.594 -22.379 400 HE ARG 53 HE ARG 53 -1.299 -0.435 -21.839 401 HH11 ARG 53 HH11 ARG 53 -0.796 -1.404 -25.193 402 HH12 ARG 53 HH12 ARG 53 -2.203 -0.569 -25.760 403 HH21 ARG 53 HH21 ARG 53 -3.117 0.670 -22.615 404 HH22 ARG 53 HH22 ARG 53 -3.520 0.602 -24.305 405 H TRP 54 HN TRP 54 4.751 -2.906 -19.626 406 HA TRP 54 HA TRP 54 7.454 -2.830 -20.237 407 HB2 TRP 54 HB2 TRP 54 6.299 -3.620 -18.048 408 HB3 TRP 54 HB1 TRP 54 6.199 -5.208 -18.806 409 HD1 TRP 54 HD1 TRP 54 8.647 -2.872 -17.084 410 HE1 TRP 54 HE1 TRP 54 10.937 -4.005 -16.848 411 HE3 TRP 54 HE3 TRP 54 7.824 -7.027 -19.980 412 HZ2 TRP 54 HZ2 TRP 54 12.232 -6.331 -17.755 413 HZ3 TRP 54 HZ3 TRP 54 9.650 -8.661 -20.237 414 HH2 TRP 54 HH2 TRP 54 11.811 -8.318 -19.144 415 H SER 55 HN SER 55 5.232 -5.543 -20.855 416 HA SER 55 HA SER 55 6.906 -6.416 -23.140 417 HB2 SER 55 HB2 SER 55 5.772 -8.653 -22.810 418 HB3 SER 55 HB1 SER 55 6.761 -8.161 -21.430 419 HG SER 55 HG SER 55 4.272 -8.884 -21.360 420 H GLY 56 HN GLY 56 6.058 -5.812 -25.049 421 HA2 GLY 56 HA2 GLY 56 4.371 -6.154 -26.720 422 HA3 GLY 56 HA1 GLY 56 3.131 -5.980 -25.490 423 H GLY 57 HN GLY 57 5.759 -3.675 -25.449 424 HA2 GLY 57 HA2 GLY 57 5.122 -1.980 -27.559 425 HA3 GLY 57 HA1 GLY 57 4.137 -1.443 -26.202 426 H SER 58 HN SER 58 5.271 -0.935 -24.191 427 HA SER 58 HA SER 58 6.605 0.427 -23.019 428 HB2 SER 58 HB2 SER 58 8.848 -0.760 -24.692 429 HB3 SER 58 HB1 SER 58 9.070 0.166 -23.207 430 HG SER 58 HG SER 58 7.756 -2.343 -23.497 431 H THR 59 HN THR 59 5.576 1.308 -25.783 432 HA THR 59 HA THR 59 6.702 3.901 -26.038 433 HB THR 59 HB THR 59 7.461 3.482 -28.540 434 HG1 THR 59 HG1 THR 59 7.950 0.888 -27.470 435 HG21 THR 59 HG21 THR 59 9.331 2.562 -26.329 436 HG22 THR 59 HG22 THR 59 9.059 4.240 -26.810 437 HG23 THR 59 HG23 THR 59 9.804 3.104 -27.940 438 H TYR 60 HN TYR 60 5.445 5.168 -27.433 439 HA TYR 60 HA TYR 60 3.598 4.028 -29.340 440 HB2 TYR 60 HB2 TYR 60 2.613 4.872 -26.695 441 HB3 TYR 60 HB1 TYR 60 1.890 5.862 -27.950 442 HD1 TYR 60 HD1 TYR 60 1.874 2.604 -26.336 443 HD2 TYR 60 HD2 TYR 60 0.622 4.722 -29.834 444 HE1 TYR 60 HE1 TYR 60 0.266 0.816 -26.848 445 HE2 TYR 60 HE2 TYR 60 -0.982 2.939 -30.343 446 HH TYR 60 HH TYR 60 -1.289 0.543 -29.854 447 H TYR 61 HN TYR 61 3.841 5.227 -31.079 448 HA TYR 61 HA TYR 61 4.001 8.103 -31.082 449 HB2 TYR 61 HB2 TYR 61 6.277 8.190 -32.183 450 HB3 TYR 61 HB1 TYR 61 6.334 7.671 -30.505 451 HD1 TYR 61 HD1 TYR 61 7.062 6.692 -33.975 452 HD2 TYR 61 HD2 TYR 61 6.755 5.232 -29.961 453 HE1 TYR 61 HE1 TYR 61 8.285 4.655 -34.613 454 HE2 TYR 61 HE2 TYR 61 7.980 3.203 -30.605 455 HH TYR 61 HH TYR 61 9.694 2.918 -33.487 456 H ALA 62 HN ALA 62 3.297 8.893 -33.000 457 HA ALA 62 HA ALA 62 2.830 7.159 -35.313 458 HB1 ALA 62 HB1 ALA 62 1.099 8.802 -34.679 459 HB2 ALA 62 HB2 ALA 62 1.740 9.165 -36.282 460 HB3 ALA 62 HB3 ALA 62 2.253 10.123 -34.890 461 H ASP 63 HN ASP 63 3.566 8.036 -37.504 462 HA ASP 63 HA ASP 63 6.372 8.398 -37.629 463 HB2 ASP 63 HB2 ASP 63 5.073 7.380 -39.482 464 HB3 ASP 63 HB1 ASP 63 4.271 8.918 -39.784 465 H SER 64 HN SER 64 3.700 10.655 -37.572 466 HA SER 64 HA SER 64 4.950 13.051 -38.372 467 HB2 SER 64 HB2 SER 64 2.991 14.132 -37.182 468 HB3 SER 64 HB1 SER 64 2.527 12.857 -38.311 469 HG SER 64 HG SER 64 1.419 12.587 -36.370 470 H VAL 65 HN VAL 65 5.005 11.342 -35.304 471 HA VAL 65 HA VAL 65 6.555 13.546 -34.040 472 HB VAL 65 HB VAL 65 5.794 12.768 -31.830 473 HG11 VAL 65 HG11 VAL 65 3.462 13.291 -33.714 474 HG12 VAL 65 HG12 VAL 65 4.470 14.512 -32.934 475 HG13 VAL 65 HG13 VAL 65 3.424 13.480 -31.957 476 HG21 VAL 65 HG21 VAL 65 4.016 11.043 -31.594 477 HG22 VAL 65 HG22 VAL 65 5.491 10.376 -32.296 478 HG23 VAL 65 HG23 VAL 65 4.105 10.724 -33.330 479 H LYS 66 HN LYS 66 7.058 10.748 -35.562 480 HA LYS 66 HA LYS 66 8.659 9.174 -33.808 481 HB2 LYS 66 HB2 LYS 66 7.570 8.320 -35.872 482 HB3 LYS 66 HB1 LYS 66 8.615 9.318 -36.860 483 HG2 LYS 66 HG2 LYS 66 9.844 7.248 -35.039 484 HG3 LYS 66 HG1 LYS 66 9.075 6.726 -36.533 485 HD2 LYS 66 HD2 LYS 66 11.427 8.640 -36.277 486 HD3 LYS 66 HD1 LYS 66 11.477 6.983 -36.876 487 HE2 LYS 66 HE2 LYS 66 10.070 9.328 -38.201 488 HE3 LYS 66 HE1 LYS 66 11.575 8.577 -38.730 489 HZ1 LYS 66 HZ1 LYS 66 9.671 7.827 -40.033 490 HZ2 LYS 66 HZ2 LYS 66 8.927 7.223 -38.642 491 HZ3 LYS 66 HZ3 LYS 66 10.374 6.543 -39.191 492 H GLY 67 HN GLY 67 10.515 9.800 -32.935 493 HA2 GLY 67 HA2 GLY 67 12.810 10.374 -32.984 494 HA3 GLY 67 HA1 GLY 67 12.566 11.264 -34.481 495 H ARG 68 HN ARG 68 10.134 12.557 -33.364 496 HA ARG 68 HA ARG 68 11.339 14.831 -32.043 497 HB2 ARG 68 HB2 ARG 68 8.465 14.171 -32.816 498 HB3 ARG 68 HB1 ARG 68 8.952 15.701 -32.091 499 HG2 ARG 68 HG2 ARG 68 10.286 16.270 -34.023 500 HG3 ARG 68 HG1 ARG 68 10.028 14.667 -34.727 501 HD2 ARG 68 HD2 ARG 68 8.599 16.463 -35.737 502 HD3 ARG 68 HD1 ARG 68 7.684 15.111 -35.068 503 HE ARG 68 HE ARG 68 7.856 17.068 -33.076 504 HH11 ARG 68 HH11 ARG 68 6.427 16.802 -36.280 505 HH12 ARG 68 HH12 ARG 68 5.120 17.871 -35.905 506 HH21 ARG 68 HH21 ARG 68 6.116 18.441 -32.601 507 HH22 ARG 68 HH22 ARG 68 4.938 18.793 -33.823 508 H PHE 69 HN PHE 69 8.427 12.959 -31.194 509 HA PHE 69 HA PHE 69 8.894 13.355 -28.330 510 HB2 PHE 69 HB2 PHE 69 6.539 12.196 -29.903 511 HB3 PHE 69 HB1 PHE 69 6.591 12.288 -28.147 512 HD1 PHE 69 HD1 PHE 69 5.528 14.142 -27.134 513 HD2 PHE 69 HD2 PHE 69 7.003 14.568 -31.131 514 HE1 PHE 69 HE1 PHE 69 4.598 16.421 -27.250 515 HE2 PHE 69 HE2 PHE 69 6.076 16.843 -31.231 516 HZ PHE 69 HZ PHE 69 4.873 17.773 -29.291 517 H THR 70 HN THR 70 9.908 11.846 -27.204 518 HA THR 70 HA THR 70 9.946 9.018 -28.027 519 HB THR 70 HB THR 70 12.407 10.679 -27.278 520 HG1 THR 70 HG1 THR 70 11.330 9.760 -29.694 521 HG21 THR 70 HG21 THR 70 12.212 7.708 -27.925 522 HG22 THR 70 HG22 THR 70 12.622 8.398 -26.354 523 HG23 THR 70 HG23 THR 70 13.716 8.615 -27.721 524 H ILE 71 HN ILE 71 9.847 7.624 -26.352 525 HA ILE 71 HA ILE 71 9.897 8.662 -23.585 526 HB ILE 71 HB ILE 71 8.281 6.787 -23.000 527 HG12 ILE 71 HG12 ILE 71 8.564 5.510 -25.220 528 HG13 ILE 71 HG11 ILE 71 6.927 5.677 -24.616 529 HG21 ILE 71 HG21 ILE 71 6.268 8.045 -23.643 530 HG22 ILE 71 HG22 ILE 71 7.229 8.994 -24.782 531 HG23 ILE 71 HG23 ILE 71 7.559 9.093 -23.051 532 HD11 ILE 71 HD11 ILE 71 8.142 7.316 -26.843 533 HD12 ILE 71 HD12 ILE 71 6.476 7.415 -26.263 534 HD13 ILE 71 HD13 ILE 71 7.055 5.939 -27.032 535 H SER 72 HN SER 72 10.880 7.449 -22.074 536 HA SER 72 HA SER 72 12.258 4.947 -22.783 537 HB2 SER 72 HB2 SER 72 13.892 6.803 -23.147 538 HB3 SER 72 HB1 SER 72 13.600 7.390 -21.513 539 HG SER 72 HG SER 72 15.409 5.682 -22.232 540 H ARG 73 HN ARG 73 12.422 3.568 -21.035 541 HA ARG 73 HA ARG 73 11.264 4.453 -18.446 542 HB2 ARG 73 HB2 ARG 73 9.831 2.802 -19.608 543 HB3 ARG 73 HB1 ARG 73 11.194 1.702 -19.775 544 HG2 ARG 73 HG2 ARG 73 11.293 1.470 -17.293 545 HG3 ARG 73 HG1 ARG 73 9.882 2.524 -17.155 546 HD2 ARG 73 HD2 ARG 73 9.270 0.130 -16.984 547 HD3 ARG 73 HD1 ARG 73 8.517 0.890 -18.392 548 HE ARG 73 HE ARG 73 11.015 -0.703 -18.627 549 HH11 ARG 73 HH11 ARG 73 7.700 -0.156 -19.631 550 HH12 ARG 73 HH12 ARG 73 7.785 -1.280 -20.946 551 HH21 ARG 73 HH21 ARG 73 11.080 -2.212 -20.357 552 HH22 ARG 73 HH22 ARG 73 9.678 -2.438 -21.351 553 H ASP 74 HN ASP 74 12.679 4.456 -16.839 554 HA ASP 74 HA ASP 74 15.239 3.005 -17.032 555 HB2 ASP 74 HB2 ASP 74 15.200 5.554 -16.662 556 HB3 ASP 74 HB1 ASP 74 14.509 5.246 -15.078 557 H ASN 75 HN ASN 75 15.601 1.351 -15.687 558 HA ASN 75 HA ASN 75 13.521 0.434 -13.854 559 HB2 ASN 75 HB2 ASN 75 14.642 -1.077 -15.535 560 HB3 ASN 75 HB1 ASN 75 16.158 -0.872 -14.673 561 HD21 ASN 75 HD21 ASN 75 14.627 -3.318 -15.239 562 HD22 ASN 75 HD22 ASN 75 14.315 -4.051 -13.711 563 H ALA 76 HN ALA 76 16.774 1.762 -13.770 564 HA ALA 76 HA ALA 76 17.733 0.773 -11.336 565 HB1 ALA 76 HB1 ALA 76 19.469 2.491 -11.499 566 HB2 ALA 76 HB2 ALA 76 18.526 3.360 -12.717 567 HB3 ALA 76 HB3 ALA 76 19.169 1.757 -13.076 568 H LYS 77 HN LYS 77 16.215 4.002 -11.971 569 HA LYS 77 HA LYS 77 15.542 4.117 -9.076 570 HB2 LYS 77 HB2 LYS 77 15.538 6.581 -9.152 571 HB3 LYS 77 HB1 LYS 77 17.124 5.912 -9.484 572 HG2 LYS 77 HG2 LYS 77 15.279 6.831 -11.699 573 HG3 LYS 77 HG1 LYS 77 16.337 7.954 -10.840 574 HD2 LYS 77 HD2 LYS 77 18.297 6.498 -11.512 575 HD3 LYS 77 HD1 LYS 77 17.179 5.545 -12.496 576 HE2 LYS 77 HE2 LYS 77 16.629 7.590 -13.803 577 HE3 LYS 77 HE1 LYS 77 17.805 8.497 -12.847 578 HZ1 LYS 77 HZ1 LYS 77 18.727 7.771 -14.952 579 HZ2 LYS 77 HZ2 LYS 77 18.409 6.158 -14.567 580 HZ3 LYS 77 HZ3 LYS 77 19.539 7.030 -13.667 581 H ASN 78 HN ASN 78 14.173 3.135 -11.640 582 HA ASN 78 HA ASN 78 12.104 2.954 -12.529 583 HB2 ASN 78 HB2 ASN 78 11.371 3.603 -9.650 584 HB3 ASN 78 HB1 ASN 78 10.200 3.043 -10.837 585 HD21 ASN 78 HD21 ASN 78 10.325 0.895 -11.579 586 HD22 ASN 78 HD22 ASN 78 11.214 -0.307 -10.720 587 H THR 79 HN THR 79 12.896 5.047 -13.636 588 HA THR 79 HA THR 79 10.862 7.177 -13.228 589 HB THR 79 HB THR 79 13.829 7.588 -13.855 590 HG1 THR 79 HG1 THR 79 12.814 7.178 -11.562 591 HG21 THR 79 HG21 THR 79 12.456 9.286 -15.022 592 HG22 THR 79 HG22 THR 79 13.340 10.017 -13.685 593 HG23 THR 79 HG23 THR 79 11.621 9.664 -13.509 594 H VAL 80 HN VAL 80 9.742 7.644 -15.038 595 HA VAL 80 HA VAL 80 10.671 6.594 -17.641 596 HB VAL 80 HB VAL 80 7.859 7.518 -16.871 597 HG11 VAL 80 HG11 VAL 80 8.288 7.729 -19.287 598 HG12 VAL 80 HG12 VAL 80 7.147 6.420 -18.979 599 HG13 VAL 80 HG13 VAL 80 8.831 6.048 -19.354 600 HG21 VAL 80 HG21 VAL 80 8.472 5.504 -15.585 601 HG22 VAL 80 HG22 VAL 80 8.929 4.672 -17.073 602 HG23 VAL 80 HG23 VAL 80 7.243 5.117 -16.794 603 H TYR 81 HN TYR 81 11.370 7.995 -19.099 604 HA TYR 81 HA TYR 81 11.085 10.902 -18.670 605 HB2 TYR 81 HB2 TYR 81 13.033 9.364 -20.454 606 HB3 TYR 81 HB1 TYR 81 13.031 11.104 -20.183 607 HD1 TYR 81 HD1 TYR 81 13.642 7.817 -18.499 608 HD2 TYR 81 HD2 TYR 81 14.140 12.059 -18.288 609 HE1 TYR 81 HE1 TYR 81 15.196 7.542 -16.611 610 HE2 TYR 81 HE2 TYR 81 15.692 11.783 -16.407 611 HH TYR 81 HH TYR 81 16.201 10.147 -14.657 612 H LEU 82 HN LEU 82 10.420 12.256 -20.340 613 HA LEU 82 HA LEU 82 9.557 11.096 -22.920 614 HB2 LEU 82 HB2 LEU 82 7.516 11.430 -21.631 615 HB3 LEU 82 HB1 LEU 82 8.015 13.047 -21.168 616 HG LEU 82 HG LEU 82 7.784 13.784 -23.544 617 HD11 LEU 82 HD11 LEU 82 8.141 11.665 -24.700 618 HD12 LEU 82 HD12 LEU 82 6.636 12.429 -25.202 619 HD13 LEU 82 HD13 LEU 82 6.599 11.058 -24.089 620 HD21 LEU 82 HD21 LEU 82 5.964 14.161 -21.972 621 HD22 LEU 82 HD22 LEU 82 5.267 12.586 -22.361 622 HD23 LEU 82 HD23 LEU 82 5.337 13.853 -23.590 623 H GLN 83 HN GLN 83 11.294 11.872 -24.042 624 HA GLN 83 HA GLN 83 12.083 14.680 -23.919 625 HB2 GLN 83 HB2 GLN 83 13.846 12.985 -24.183 626 HB3 GLN 83 HB1 GLN 83 13.091 12.376 -25.650 627 HG2 GLN 83 HG2 GLN 83 15.101 13.792 -26.072 628 HG3 GLN 83 HG1 GLN 83 13.644 14.393 -26.859 629 HE21 GLN 83 HE21 GLN 83 12.818 16.408 -26.254 630 HE22 GLN 83 HE22 GLN 83 13.635 17.477 -25.169 631 H MET 84 HN MET 84 10.523 15.945 -24.743 632 HA MET 84 HA MET 84 9.242 15.353 -27.323 633 HB2 MET 84 HB2 MET 84 8.780 17.715 -25.441 634 HB3 MET 84 HB1 MET 84 7.782 17.249 -26.810 635 HG2 MET 84 HG2 MET 84 7.260 15.112 -25.581 636 HG3 MET 84 HG1 MET 84 8.087 15.798 -24.180 637 HE1 MET 84 HE1 MET 84 5.746 18.978 -23.490 638 HE2 MET 84 HE2 MET 84 7.155 18.980 -24.551 639 HE3 MET 84 HE3 MET 84 7.224 18.157 -22.993 640 H ASN 85 HN ASN 85 10.250 16.058 -29.105 641 HA ASN 85 HA ASN 85 11.737 18.636 -29.088 642 HB2 ASN 85 HB2 ASN 85 12.127 16.226 -30.926 643 HB3 ASN 85 HB1 ASN 85 12.990 17.755 -31.066 644 HD21 ASN 85 HD21 ASN 85 14.616 18.251 -29.538 645 HD22 ASN 85 HD22 ASN 85 15.294 17.043 -28.508 646 H SER 86 HN SER 86 11.418 20.013 -30.905 647 HA SER 86 HA SER 86 10.174 21.230 -32.339 648 HB2 SER 86 HB2 SER 86 10.686 19.398 -33.922 649 HB3 SER 86 HB1 SER 86 9.287 18.483 -33.361 650 HG SER 86 HG SER 86 9.437 20.585 -35.124 651 H LEU 87 HN LEU 87 9.076 21.835 -30.296 652 HA LEU 87 HA LEU 87 6.438 20.703 -29.797 653 HB2 LEU 87 HB2 LEU 87 8.206 22.657 -28.310 654 HB3 LEU 87 HB1 LEU 87 6.529 22.407 -27.836 655 HG LEU 87 HG LEU 87 8.626 20.202 -27.966 656 HD11 LEU 87 HD11 LEU 87 7.520 21.611 -25.522 657 HD12 LEU 87 HD12 LEU 87 9.152 21.771 -26.176 658 HD13 LEU 87 HD13 LEU 87 8.615 20.224 -25.529 659 HD21 LEU 87 HD21 LEU 87 5.757 20.162 -26.955 660 HD22 LEU 87 HD22 LEU 87 6.919 18.848 -26.775 661 HD23 LEU 87 HD23 LEU 87 6.393 19.333 -28.380 662 H LYS 88 HN LYS 88 4.579 21.994 -29.487 663 HA LYS 88 HA LYS 88 4.312 24.231 -31.427 664 HB2 LYS 88 HB2 LYS 88 2.386 21.994 -30.641 665 HB3 LYS 88 HB1 LYS 88 1.940 23.343 -31.668 666 HG2 LYS 88 HG2 LYS 88 4.146 21.378 -32.364 667 HG3 LYS 88 HG1 LYS 88 2.461 21.164 -32.846 668 HD2 LYS 88 HD2 LYS 88 4.295 23.457 -33.637 669 HD3 LYS 88 HD1 LYS 88 3.730 22.152 -34.682 670 HE2 LYS 88 HE2 LYS 88 2.089 24.407 -33.482 671 HE3 LYS 88 HE1 LYS 88 2.402 24.093 -35.187 672 HZ1 LYS 88 HZ1 LYS 88 0.748 22.432 -33.362 673 HZ2 LYS 88 HZ2 LYS 88 1.112 22.030 -34.962 674 HZ3 LYS 88 HZ3 LYS 88 0.195 23.407 -34.627 675 HA PRO 89 HA PRO 89 2.752 26.781 -28.067 676 HB2 PRO 89 HB2 PRO 89 0.618 28.116 -29.257 677 HB3 PRO 89 HB1 PRO 89 2.317 28.547 -29.491 678 HG2 PRO 89 HG2 PRO 89 0.524 26.874 -31.245 679 HG3 PRO 89 HG1 PRO 89 1.675 28.146 -31.712 680 HD2 PRO 89 HD2 PRO 89 2.316 25.547 -31.964 681 HD3 PRO 89 HD1 PRO 89 3.534 26.734 -31.456 682 H GLU 90 HN GLU 90 0.540 24.600 -29.698 683 HA GLU 90 HA GLU 90 -1.664 24.656 -27.895 684 HB2 GLU 90 HB2 GLU 90 -2.342 22.549 -28.995 685 HB3 GLU 90 HB1 GLU 90 -1.814 23.737 -30.186 686 HG2 GLU 90 HG2 GLU 90 0.421 22.608 -30.240 687 HG3 GLU 90 HG1 GLU 90 -0.218 21.364 -29.172 688 H ASP 91 HN ASP 91 1.474 23.152 -27.694 689 HA ASP 91 HA ASP 91 0.854 21.199 -25.655 690 HB2 ASP 91 HB2 ASP 91 3.509 22.282 -26.690 691 HB3 ASP 91 HB1 ASP 91 3.384 20.996 -25.496 692 H THR 92 HN THR 92 0.572 24.386 -25.293 693 HA THR 92 HA THR 92 1.733 24.657 -22.655 694 HB THR 92 HB THR 92 -0.431 26.298 -24.039 695 HG1 THR 92 HG1 THR 92 1.613 26.434 -25.039 696 HG21 THR 92 HG21 THR 92 -0.603 26.576 -21.588 697 HG22 THR 92 HG22 THR 92 0.054 28.038 -22.324 698 HG23 THR 92 HG23 THR 92 1.127 26.913 -21.492 699 H ALA 93 HN ALA 93 1.070 22.999 -21.388 700 HA ALA 93 HA ALA 93 -1.636 22.791 -20.420 701 HB1 ALA 93 HB1 ALA 93 -1.883 21.561 -22.553 702 HB2 ALA 93 HB2 ALA 93 -2.022 20.452 -21.189 703 HB3 ALA 93 HB3 ALA 93 -0.528 20.514 -22.127 704 H VAL 94 HN VAL 94 -1.707 20.681 -18.951 705 HA VAL 94 HA VAL 94 0.859 20.310 -17.584 706 HB VAL 94 HB VAL 94 -1.054 20.956 -16.151 707 HG11 VAL 94 HG11 VAL 94 -2.915 19.421 -15.629 708 HG12 VAL 94 HG12 VAL 94 -2.372 18.329 -16.905 709 HG13 VAL 94 HG13 VAL 94 -2.949 19.942 -17.316 710 HG21 VAL 94 HG21 VAL 94 -0.050 18.156 -15.587 711 HG22 VAL 94 HG22 VAL 94 -0.748 19.258 -14.397 712 HG23 VAL 94 HG23 VAL 94 0.777 19.664 -15.186 713 H TYR 95 HN TYR 95 2.050 18.684 -18.336 714 HA TYR 95 HA TYR 95 0.888 16.323 -19.585 715 HB2 TYR 95 HB2 TYR 95 3.639 17.489 -19.393 716 HB3 TYR 95 HB1 TYR 95 3.562 15.734 -19.462 717 HD1 TYR 95 HD1 TYR 95 2.347 18.795 -21.301 718 HD2 TYR 95 HD2 TYR 95 3.358 14.654 -21.559 719 HE1 TYR 95 HE1 TYR 95 2.129 18.893 -23.751 720 HE2 TYR 95 HE2 TYR 95 3.141 14.756 -24.001 721 HH TYR 95 HH TYR 95 2.989 17.654 -25.727 722 H LEU 96 HN LEU 96 0.080 14.840 -18.300 723 HA LEU 96 HA LEU 96 1.391 14.198 -15.733 724 HB2 LEU 96 HB2 LEU 96 -0.845 13.515 -14.905 725 HB3 LEU 96 HB1 LEU 96 -0.760 15.207 -15.339 726 HG LEU 96 HG LEU 96 -1.824 14.293 -17.651 727 HD11 LEU 96 HD11 LEU 96 -3.512 12.553 -17.280 728 HD12 LEU 96 HD12 LEU 96 -2.880 12.269 -15.656 729 HD13 LEU 96 HD13 LEU 96 -1.874 11.937 -17.069 730 HD21 LEU 96 HD21 LEU 96 -4.044 14.947 -16.848 731 HD22 LEU 96 HD22 LEU 96 -2.805 16.060 -16.274 732 HD23 LEU 96 HD23 LEU 96 -3.483 14.857 -15.174 733 H CYS 97 HN CYS 97 1.737 12.093 -15.232 734 HA CYS 97 HA CYS 97 1.490 10.065 -17.328 735 HB2 CYS 97 HB2 CYS 97 2.833 9.957 -14.593 736 HB3 CYS 97 HB1 CYS 97 2.907 8.692 -15.825 737 HG CYS 97 HG CYS 97 3.956 11.805 -16.638 738 H ALA 98 HN ALA 98 0.528 7.993 -16.817 739 HA ALA 98 HA ALA 98 -1.306 7.868 -14.512 740 HB1 ALA 98 HB1 ALA 98 -2.172 7.383 -17.392 741 HB2 ALA 98 HB2 ALA 98 -2.611 8.782 -16.412 742 HB3 ALA 98 HB3 ALA 98 -3.172 7.176 -15.951 743 H ALA 99 HN ALA 99 -0.866 5.999 -13.506 744 HA ALA 99 HA ALA 99 0.434 3.793 -15.006 745 HB1 ALA 99 HB1 ALA 99 1.934 4.884 -13.387 746 HB2 ALA 99 HB2 ALA 99 1.595 3.220 -12.917 747 HB3 ALA 99 HB3 ALA 99 0.791 4.555 -12.083 748 H GLY 100 HN GLY 100 -0.493 1.905 -14.969 749 HA2 GLY 100 HA2 GLY 100 -2.051 0.848 -12.796 750 HA3 GLY 100 HA1 GLY 100 -2.992 1.194 -14.251 751 H VAL 101 HN VAL 101 -3.414 -1.025 -14.551 752 HA VAL 101 HA VAL 101 -1.215 -2.538 -15.804 753 HB VAL 101 HB VAL 101 -1.943 -4.667 -14.687 754 HG11 VAL 101 HG11 VAL 101 -0.849 -4.284 -12.488 755 HG12 VAL 101 HG12 VAL 101 -0.984 -2.540 -12.725 756 HG13 VAL 101 HG13 VAL 101 0.032 -3.499 -13.803 757 HG21 VAL 101 HG21 VAL 101 -3.368 -4.610 -12.652 758 HG22 VAL 101 HG22 VAL 101 -4.247 -4.040 -14.073 759 HG23 VAL 101 HG23 VAL 101 -3.638 -2.879 -12.893 760 H TRP 102 HN TRP 102 -1.870 -3.861 -17.475 761 HA TRP 102 HA TRP 102 -4.554 -3.816 -18.494 762 HB2 TRP 102 HB2 TRP 102 -3.671 -5.615 -20.093 763 HB3 TRP 102 HB1 TRP 102 -2.836 -4.070 -20.151 764 HD1 TRP 102 HD1 TRP 102 -0.303 -4.020 -19.016 765 HE1 TRP 102 HE1 TRP 102 1.449 -5.884 -18.781 766 HE3 TRP 102 HE3 TRP 102 -3.307 -8.109 -19.802 767 HZ2 TRP 102 HZ2 TRP 102 1.568 -8.694 -18.925 768 HZ3 TRP 102 HZ3 TRP 102 -2.286 -10.348 -19.739 769 HH2 TRP 102 HH2 TRP 102 0.104 -10.634 -19.308 770 H ARG 103 HN ARG 103 -5.750 -4.443 -16.700 771 HA ARG 103 HA ARG 103 -5.158 -6.678 -15.053 772 HB2 ARG 103 HB2 ARG 103 -7.422 -6.258 -14.057 773 HB3 ARG 103 HB1 ARG 103 -6.414 -4.815 -14.154 774 HG2 ARG 103 HG2 ARG 103 -7.640 -4.120 -16.201 775 HG3 ARG 103 HG1 ARG 103 -8.680 -5.537 -16.039 776 HD2 ARG 103 HD2 ARG 103 -9.551 -4.701 -13.923 777 HD3 ARG 103 HD1 ARG 103 -8.430 -3.333 -13.964 778 HE ARG 103 HE ARG 103 -9.760 -2.992 -16.259 779 HH11 ARG 103 HH11 ARG 103 -10.961 -3.550 -12.991 780 HH12 ARG 103 HH12 ARG 103 -12.442 -2.692 -13.271 781 HH21 ARG 103 HH21 ARG 103 -11.705 -1.860 -16.581 782 HH22 ARG 103 HH22 ARG 103 -12.859 -1.749 -15.295 783 H SER 104 HN SER 104 -6.738 -8.454 -14.612 784 HA SER 104 HA SER 104 -6.827 -10.216 -16.804 785 HB2 SER 104 HB2 SER 104 -8.251 -10.495 -14.124 786 HB3 SER 104 HB1 SER 104 -7.843 -11.810 -15.234 787 HG SER 104 HG SER 104 -5.627 -11.271 -14.899 788 H SER 105 HN SER 105 -9.151 -7.907 -15.717 789 HA SER 105 HA SER 105 -11.566 -8.948 -16.749 790 HB2 SER 105 HB2 SER 105 -11.382 -7.024 -15.158 791 HB3 SER 105 HB1 SER 105 -10.714 -6.029 -16.450 792 HG SER 105 HG SER 105 -13.325 -6.881 -16.003 793 H GLY 106 HN GLY 106 -8.826 -7.475 -18.318 794 HA2 GLY 106 HA2 GLY 106 -8.446 -7.952 -20.672 795 HA3 GLY 106 HA1 GLY 106 -10.148 -7.635 -20.983 796 H TRP 107 HN TRP 107 -9.775 -5.330 -18.934 797 HA TRP 107 HA TRP 107 -9.228 -3.261 -20.906 798 HB2 TRP 107 HB2 TRP 107 -10.087 -3.042 -17.981 799 HB3 TRP 107 HB1 TRP 107 -10.005 -1.702 -19.123 800 HD1 TRP 107 HD1 TRP 107 -12.078 -4.880 -18.394 801 HE1 TRP 107 HE1 TRP 107 -14.380 -4.620 -19.496 802 HE3 TRP 107 HE3 TRP 107 -11.281 -0.507 -20.946 803 HZ2 TRP 107 HZ2 TRP 107 -15.699 -2.813 -21.212 804 HZ3 TRP 107 HZ3 TRP 107 -13.125 0.423 -22.294 805 HH2 TRP 107 HH2 TRP 107 -15.292 -0.708 -22.423 806 H ASP 108 HN ASP 108 -7.320 -2.164 -21.073 807 HA ASP 108 HA ASP 108 -5.271 -2.344 -18.993 808 HB2 ASP 108 HB2 ASP 108 -4.567 -2.394 -21.384 809 HB3 ASP 108 HB1 ASP 108 -5.254 -0.793 -21.626 810 H THR 109 HN THR 109 -5.965 -1.258 -17.239 811 HA THR 109 HA THR 109 -7.225 1.399 -17.534 812 HB THR 109 HB THR 109 -8.053 0.850 -15.115 813 HG1 THR 109 HG1 THR 109 -6.762 -0.967 -14.721 814 HG21 THR 109 HG21 THR 109 -9.557 0.888 -17.069 815 HG22 THR 109 HG22 THR 109 -9.986 -0.420 -15.963 816 HG23 THR 109 HG23 THR 109 -9.111 -0.776 -17.453 817 HA PRO 110 HA PRO 110 -3.562 2.933 -15.223 818 HB2 PRO 110 HB2 PRO 110 -4.016 5.572 -15.737 819 HB3 PRO 110 HB1 PRO 110 -3.223 4.511 -16.910 820 HG2 PRO 110 HG2 PRO 110 -6.102 5.405 -16.803 821 HG3 PRO 110 HG1 PRO 110 -5.018 5.310 -18.207 822 HD2 PRO 110 HD2 PRO 110 -6.871 3.378 -17.649 823 HD3 PRO 110 HD1 PRO 110 -5.331 3.016 -18.454 824 H ASP 111 HN ASP 111 -4.332 2.346 -13.209 825 HA ASP 111 HA ASP 111 -6.811 3.236 -12.088 826 HB2 ASP 111 HB2 ASP 111 -5.722 1.015 -11.617 827 HB3 ASP 111 HB1 ASP 111 -4.483 1.849 -10.689 828 H TYR 112 HN TYR 112 -3.543 4.340 -11.960 829 HA TYR 112 HA TYR 112 -4.187 6.412 -9.939 830 HB2 TYR 112 HB2 TYR 112 -1.411 5.260 -10.508 831 HB3 TYR 112 HB1 TYR 112 -1.874 6.340 -9.194 832 HD1 TYR 112 HD1 TYR 112 -3.136 5.458 -7.225 833 HD2 TYR 112 HD2 TYR 112 -1.850 2.863 -10.369 834 HE1 TYR 112 HE1 TYR 112 -3.527 3.506 -5.785 835 HE2 TYR 112 HE2 TYR 112 -2.239 0.922 -8.930 836 HH TYR 112 HH TYR 112 -3.958 1.083 -6.019 837 H TRP 113 HN TRP 113 -3.538 8.479 -10.425 838 HA TRP 113 HA TRP 113 -2.186 9.001 -13.009 839 HB2 TRP 113 HB2 TRP 113 -4.386 10.633 -11.645 840 HB3 TRP 113 HB1 TRP 113 -3.456 11.202 -13.029 841 HD1 TRP 113 HD1 TRP 113 -4.148 10.288 -15.428 842 HE1 TRP 113 HE1 TRP 113 -6.103 8.857 -16.284 843 HE3 TRP 113 HE3 TRP 113 -6.007 8.650 -10.944 844 HZ2 TRP 113 HZ2 TRP 113 -8.159 7.255 -15.226 845 HZ3 TRP 113 HZ3 TRP 113 -7.982 7.177 -10.955 846 HH2 TRP 113 HH2 TRP 113 -9.038 6.496 -13.053 847 H GLY 114 HN GLY 114 -0.917 11.000 -12.987 848 HA2 GLY 114 HA2 GLY 114 0.723 11.090 -10.578 849 HA3 GLY 114 HA1 GLY 114 1.095 11.782 -12.149 850 H GLN 115 HN GLN 115 1.764 13.343 -10.226 851 HA GLN 115 HA GLN 115 -0.331 15.131 -9.345 852 HB2 GLN 115 HB2 GLN 115 1.638 16.528 -8.489 853 HB3 GLN 115 HB1 GLN 115 1.453 14.923 -7.809 854 HG2 GLN 115 HG2 GLN 115 3.754 15.096 -8.124 855 HG3 GLN 115 HG1 GLN 115 3.227 14.182 -9.527 856 HE21 GLN 115 HE21 GLN 115 4.488 17.230 -8.396 857 HE22 GLN 115 HE22 GLN 115 4.962 17.835 -9.944 858 H GLY 116 HN GLY 116 1.694 14.875 -12.122 859 HA2 GLY 116 HA2 GLY 116 1.375 15.867 -14.175 860 HA3 GLY 116 HA1 GLY 116 0.219 16.981 -13.465 861 H THR 117 HN THR 117 3.062 16.942 -15.045 862 HA THR 117 HA THR 117 4.225 19.238 -13.603 863 HB THR 117 HB THR 117 5.819 17.449 -14.196 864 HG1 THR 117 HG1 THR 117 6.402 19.756 -14.232 865 HG21 THR 117 HG21 THR 117 5.194 18.063 -17.108 866 HG22 THR 117 HG22 THR 117 4.779 16.572 -16.259 867 HG23 THR 117 HG23 THR 117 6.472 16.990 -16.527 868 H GLN 118 HN GLN 118 3.698 21.217 -14.245 869 HA GLN 118 HA GLN 118 2.097 21.728 -16.579 870 HB2 GLN 118 HB2 GLN 118 3.260 23.517 -14.415 871 HB3 GLN 118 HB1 GLN 118 2.431 24.198 -15.809 872 HG2 GLN 118 HG2 GLN 118 1.073 22.115 -14.105 873 HG3 GLN 118 HG1 GLN 118 1.126 23.796 -13.595 874 HE21 GLN 118 HE21 GLN 118 0.777 22.914 -17.044 875 HE22 GLN 118 HE22 GLN 118 -0.858 23.435 -17.168 876 H VAL 119 HN VAL 119 2.987 21.701 -18.496 877 HA VAL 119 HA VAL 119 5.576 23.014 -19.032 878 HB VAL 119 HB VAL 119 5.596 21.842 -21.172 879 HG11 VAL 119 HG11 VAL 119 4.803 19.902 -18.960 880 HG12 VAL 119 HG12 VAL 119 6.421 20.541 -19.261 881 HG13 VAL 119 HG13 VAL 119 5.668 19.471 -20.442 882 HG21 VAL 119 HG21 VAL 119 3.194 21.957 -21.725 883 HG22 VAL 119 HG22 VAL 119 2.839 20.741 -20.498 884 HG23 VAL 119 HG23 VAL 119 3.804 20.312 -21.915 885 H THR 120 HN THR 120 5.625 24.804 -20.399 886 HA THR 120 HA THR 120 3.108 25.736 -21.647 887 HB THR 120 HB THR 120 5.063 27.482 -20.065 888 HG1 THR 120 HG1 THR 120 2.758 26.202 -19.399 889 HG21 THR 120 HG21 THR 120 2.575 28.320 -21.613 890 HG22 THR 120 HG22 THR 120 4.240 28.727 -22.036 891 HG23 THR 120 HG23 THR 120 3.525 29.368 -20.555 892 H VAL 121 HN VAL 121 3.707 25.245 -23.739 893 HA VAL 121 HA VAL 121 6.305 26.197 -24.704 894 HB VAL 121 HB VAL 121 4.085 24.842 -26.288 895 HG11 VAL 121 HG11 VAL 121 7.015 25.317 -26.984 896 HG12 VAL 121 HG12 VAL 121 5.636 26.157 -27.698 897 HG13 VAL 121 HG13 VAL 121 5.852 24.427 -27.974 898 HG21 VAL 121 HG21 VAL 121 4.889 23.351 -24.497 899 HG22 VAL 121 HG22 VAL 121 6.560 23.610 -25.004 900 HG23 VAL 121 HG23 VAL 121 5.435 22.768 -26.071 901 H SER 122 HN SER 122 6.174 28.342 -24.458 902 HA SER 122 HA SER 122 4.149 30.110 -25.024 903 HB2 SER 122 HB2 SER 122 6.257 30.701 -23.870 904 HB3 SER 122 HB1 SER 122 7.137 30.569 -25.396 905 HG SER 122 HG SER 122 4.939 32.309 -25.005 906 H SER 123 HN SER 123 3.558 31.410 -26.763 907 HA SER 123 HA SER 123 3.988 30.394 -29.456 908 HB2 SER 123 HB2 SER 123 2.297 32.719 -28.414 909 HB3 SER 123 HB1 SER 123 2.247 32.080 -30.058 910 HG SER 123 HG SER 123 1.088 30.455 -29.390 911 H LEU 124 HN LEU 124 6.407 31.069 -28.802 912 HA LEU 124 HA LEU 124 8.271 32.300 -29.078 913 HB2 LEU 124 HB2 LEU 124 6.605 33.572 -31.277 914 HB3 LEU 124 HB1 LEU 124 8.280 34.006 -31.009 915 HG LEU 124 HG LEU 124 8.248 32.476 -32.837 916 HD11 LEU 124 HD11 LEU 124 9.160 30.923 -30.407 917 HD12 LEU 124 HD12 LEU 124 10.097 32.128 -31.298 918 HD13 LEU 124 HD13 LEU 124 9.631 30.621 -32.084 919 HD21 LEU 124 HD21 LEU 124 7.234 30.245 -32.784 920 HD22 LEU 124 HD22 LEU 124 6.034 31.509 -32.532 921 HD23 LEU 124 HD23 LEU 124 6.607 30.556 -31.162 922 H GLU 125 HN GLU 125 6.116 33.296 -27.204 923 HA GLU 125 HA GLU 125 6.384 36.179 -27.130 924 HB2 GLU 125 HB2 GLU 125 5.160 34.293 -25.064 925 HB3 GLU 125 HB1 GLU 125 4.966 36.042 -25.111 926 HG2 GLU 125 HG2 GLU 125 3.979 34.122 -27.248 927 HG3 GLU 125 HG1 GLU 125 2.980 34.786 -25.959 928 H HIS 126 HN HIS 126 7.085 33.644 -24.723 929 HA HIS 126 HA HIS 126 8.772 33.118 -23.367 930 HB2 HIS 126 HB2 HIS 126 10.253 33.398 -25.320 931 HB3 HIS 126 HB1 HIS 126 10.454 35.104 -24.938 932 HD1 HIS 126 HD1 HIS 126 11.120 31.723 -23.324 933 HD2 HIS 126 HD2 HIS 126 12.630 35.589 -23.345 934 HE1 HIS 126 HE1 HIS 126 13.189 31.638 -21.917 935 HE2 HIS 126 HE2 HIS 126 14.203 33.928 -22.137 936 H HIS 127 HN HIS 127 7.577 36.273 -23.458 937 HA HIS 127 HA HIS 127 9.216 37.514 -21.480 938 HB2 HIS 127 HB2 HIS 127 7.506 39.361 -21.601 939 HB3 HIS 127 HB1 HIS 127 8.213 38.924 -23.146 940 HD1 HIS 127 HD1 HIS 127 6.491 39.214 -24.880 941 HD2 HIS 127 HD2 HIS 127 4.855 37.625 -21.399 942 HE1 HIS 127 HE1 HIS 127 4.052 38.877 -25.371 943 HE2 HIS 127 HE2 HIS 127 3.059 38.107 -23.189 944 H HIS 128 HN HIS 128 8.109 38.626 -19.564 945 HA HIS 128 HA HIS 128 7.418 36.746 -17.615 946 HB2 HIS 128 HB2 HIS 128 7.144 39.771 -17.692 947 HB3 HIS 128 HB1 HIS 128 6.657 38.853 -16.275 948 HD1 HIS 128 HD1 HIS 128 8.437 38.275 -14.627 949 HD2 HIS 128 HD2 HIS 128 10.015 39.576 -18.245 950 HE1 HIS 128 HE1 HIS 128 10.903 38.559 -14.225 951 HE2 HIS 128 HE2 HIS 128 11.814 39.445 -16.395 952 H HIS 129 HN HIS 129 5.507 36.403 -16.444 953 HA HIS 129 HA HIS 129 2.928 37.272 -17.413 954 HB2 HIS 129 HB2 HIS 129 2.080 34.938 -17.809 955 HB3 HIS 129 HB1 HIS 129 3.311 35.416 -18.973 956 HD1 HIS 129 HD1 HIS 129 5.723 34.320 -18.629 957 HD2 HIS 129 HD2 HIS 129 2.667 32.651 -16.357 958 HE1 HIS 129 HE1 HIS 129 6.608 32.110 -17.820 959 HE2 HIS 129 HE2 HIS 129 4.669 31.048 -16.612 960 H HIS 130 HN HIS 130 1.581 37.438 -15.711 961 HA HIS 130 HA HIS 130 2.463 36.577 -13.064 962 HB2 HIS 130 HB2 HIS 130 0.109 38.311 -13.949 963 HB3 HIS 130 HB1 HIS 130 0.423 37.881 -12.271 964 HD1 HIS 130 HD1 HIS 130 0.846 40.634 -14.363 965 HD2 HIS 130 HD2 HIS 130 3.376 38.681 -11.706 966 HE1 HIS 130 HE1 HIS 130 2.620 42.314 -13.771 967 HE2 HIS 130 HE2 HIS 130 4.061 41.148 -12.062 968 H HIS 131 HN HIS 131 2.103 34.483 -12.716 969 HA HIS 131 HA HIS 131 -0.210 33.009 -13.562 970 HB2 HIS 131 HB2 HIS 131 1.882 31.809 -13.256 971 HB3 HIS 131 HB1 HIS 131 2.038 32.376 -11.596 972 HD1 HIS 131 HD1 HIS 131 0.793 31.099 -9.791 973 HD2 HIS 131 HD2 HIS 131 -0.038 29.716 -13.620 974 HE1 HIS 131 HE1 HIS 131 -0.438 28.937 -9.470 975 HE2 HIS 131 HE2 HIS 131 -1.108 28.232 -11.794 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 0.090 -0.734 0.157 2 H2 MET 1 HT2 MET 1 -1.320 -0.407 -0.724 3 H3 MET 1 HT3 MET 1 -0.343 0.864 -0.184 4 HA MET 1 HA MET 1 1.415 0.240 -1.619 5 HB2 MET 1 HB2 MET 1 -0.412 -2.049 -2.474 6 HB3 MET 1 HB1 MET 1 1.095 -1.625 -3.271 7 HG2 MET 1 HG2 MET 1 2.312 -2.146 -1.159 8 HG3 MET 1 HG1 MET 1 0.790 -2.667 -0.441 9 HE1 MET 1 HE1 MET 1 2.810 -4.824 -4.016 10 HE2 MET 1 HE2 MET 1 3.480 -3.385 -3.247 11 HE3 MET 1 HE3 MET 1 1.993 -3.272 -4.191 12 H GLN 2 HN GLN 2 0.591 2.363 -2.082 13 HA GLN 2 HA GLN 2 -1.124 2.513 -4.503 14 HB2 GLN 2 HB2 GLN 2 -0.690 4.539 -2.262 15 HB3 GLN 2 HB1 GLN 2 -1.429 4.975 -3.805 16 HG2 GLN 2 HG2 GLN 2 -3.237 3.353 -3.407 17 HG3 GLN 2 HG1 GLN 2 -2.501 2.888 -1.876 18 HE21 GLN 2 HE21 GLN 2 -5.165 4.045 -2.487 19 HE22 GLN 2 HE22 GLN 2 -5.290 5.473 -1.521 20 H LEU 3 HN LEU 3 0.007 2.861 -6.292 21 HA LEU 3 HA LEU 3 2.769 3.645 -6.298 22 HB2 LEU 3 HB2 LEU 3 1.443 2.052 -7.940 23 HB3 LEU 3 HB1 LEU 3 1.002 3.523 -8.773 24 HG LEU 3 HG LEU 3 2.866 2.386 -9.887 25 HD11 LEU 3 HD11 LEU 3 2.806 4.812 -10.084 26 HD12 LEU 3 HD12 LEU 3 4.455 4.196 -10.128 27 HD13 LEU 3 HD13 LEU 3 3.843 4.969 -8.663 28 HD21 LEU 3 HD21 LEU 3 4.447 2.744 -7.327 29 HD22 LEU 3 HD22 LEU 3 5.066 2.110 -8.856 30 HD23 LEU 3 HD23 LEU 3 3.830 1.220 -7.971 31 H GLN 4 HN GLN 4 3.290 5.683 -5.893 32 HA GLN 4 HA GLN 4 1.648 7.974 -6.692 33 HB2 GLN 4 HB2 GLN 4 4.294 7.933 -5.167 34 HB3 GLN 4 HB1 GLN 4 3.181 9.298 -5.310 35 HG2 GLN 4 HG2 GLN 4 1.485 7.987 -4.027 36 HG3 GLN 4 HG1 GLN 4 2.665 6.683 -3.854 37 HE21 GLN 4 HE21 GLN 4 3.417 10.145 -3.621 38 HE22 GLN 4 HE22 GLN 4 3.828 10.121 -1.945 39 H LEU 5 HN LEU 5 2.200 9.332 -8.316 40 HA LEU 5 HA LEU 5 4.687 8.886 -9.872 41 HB2 LEU 5 HB2 LEU 5 2.000 10.024 -10.732 42 HB3 LEU 5 HB1 LEU 5 3.406 9.866 -11.777 43 HG LEU 5 HG LEU 5 2.039 7.474 -10.472 44 HD11 LEU 5 HD11 LEU 5 0.413 8.604 -11.900 45 HD12 LEU 5 HD12 LEU 5 0.911 7.074 -12.611 46 HD13 LEU 5 HD13 LEU 5 1.551 8.589 -13.250 47 HD21 LEU 5 HD21 LEU 5 3.982 7.633 -12.815 48 HD22 LEU 5 HD22 LEU 5 3.235 6.162 -12.180 49 HD23 LEU 5 HD23 LEU 5 4.369 7.072 -11.184 50 H VAL 6 HN VAL 6 6.115 10.518 -9.830 51 HA VAL 6 HA VAL 6 5.235 13.271 -9.157 52 HB VAL 6 HB VAL 6 8.014 12.060 -8.725 53 HG11 VAL 6 HG11 VAL 6 6.921 14.797 -7.937 54 HG12 VAL 6 HG12 VAL 6 8.111 14.475 -9.201 55 HG13 VAL 6 HG13 VAL 6 8.517 14.172 -7.511 56 HG21 VAL 6 HG21 VAL 6 6.405 11.084 -7.126 57 HG22 VAL 6 HG22 VAL 6 5.872 12.697 -6.644 58 HG23 VAL 6 HG23 VAL 6 7.519 12.170 -6.291 59 H GLU 7 HN GLU 7 4.912 14.140 -11.143 60 HA GLU 7 HA GLU 7 6.812 13.786 -13.315 61 HB2 GLU 7 HB2 GLU 7 4.347 15.582 -13.155 62 HB3 GLU 7 HB1 GLU 7 5.349 15.368 -14.580 63 HG2 GLU 7 HG2 GLU 7 3.730 13.871 -15.127 64 HG3 GLU 7 HG1 GLU 7 4.741 12.787 -14.183 65 H SER 8 HN SER 8 8.056 15.394 -14.196 66 HA SER 8 HA SER 8 8.457 17.986 -12.997 67 HB2 SER 8 HB2 SER 8 10.870 17.514 -12.403 68 HB3 SER 8 HB1 SER 8 9.736 16.613 -11.397 69 HG SER 8 HG SER 8 10.074 14.833 -12.872 70 H GLY 9 HN GLY 9 10.450 19.025 -14.122 71 HA2 GLY 9 HA2 GLY 9 11.851 19.288 -15.989 72 HA3 GLY 9 HA1 GLY 9 11.024 17.976 -16.812 73 H GLY 10 HN GLY 10 8.423 19.432 -15.861 74 HA2 GLY 10 HA2 GLY 10 7.829 20.759 -18.297 75 HA3 GLY 10 HA1 GLY 10 6.844 20.755 -16.846 76 H GLY 11 HN GLY 11 8.223 22.761 -18.924 77 HA2 GLY 11 HA2 GLY 11 8.156 25.067 -17.202 78 HA3 GLY 11 HA1 GLY 11 9.797 24.629 -17.684 79 H LEU 12 HN LEU 12 9.648 26.811 -18.636 80 HA LEU 12 HA LEU 12 8.019 27.056 -21.033 81 HB2 LEU 12 HB2 LEU 12 8.158 28.887 -19.315 82 HB3 LEU 12 HB1 LEU 12 9.824 29.113 -19.785 83 HG LEU 12 HG LEU 12 7.647 29.399 -21.864 84 HD11 LEU 12 HD11 LEU 12 6.924 30.834 -20.030 85 HD12 LEU 12 HD12 LEU 12 7.482 31.808 -21.388 86 HD13 LEU 12 HD13 LEU 12 8.511 31.603 -19.964 87 HD21 LEU 12 HD21 LEU 12 10.389 30.696 -21.614 88 HD22 LEU 12 HD22 LEU 12 9.228 30.982 -22.912 89 HD23 LEU 12 HD23 LEU 12 9.944 29.386 -22.713 90 H VAL 13 HN VAL 13 8.773 26.388 -22.886 91 HA VAL 13 HA VAL 13 11.597 26.890 -23.644 92 HB VAL 13 HB VAL 13 11.468 24.920 -25.194 93 HG11 VAL 13 HG11 VAL 13 11.784 23.162 -23.485 94 HG12 VAL 13 HG12 VAL 13 11.038 24.205 -22.271 95 HG13 VAL 13 HG13 VAL 13 12.570 24.674 -23.012 96 HG21 VAL 13 HG21 VAL 13 9.027 24.736 -25.473 97 HG22 VAL 13 HG22 VAL 13 8.849 24.265 -23.782 98 HG23 VAL 13 HG23 VAL 13 9.694 23.201 -24.910 99 H GLN 14 HN GLN 14 11.765 27.021 -26.099 100 HA GLN 14 HA GLN 14 9.730 28.830 -27.110 101 HB2 GLN 14 HB2 GLN 14 11.273 29.390 -28.889 102 HB3 GLN 14 HB1 GLN 14 12.136 29.427 -27.361 103 HG2 GLN 14 HG2 GLN 14 12.283 27.128 -29.331 104 HG3 GLN 14 HG1 GLN 14 13.408 28.483 -29.315 105 HE21 GLN 14 HE21 GLN 14 13.967 25.676 -28.961 106 HE22 GLN 14 HE22 GLN 14 14.737 25.520 -27.424 107 H ALA 15 HN ALA 15 8.662 28.588 -29.083 108 HA ALA 15 HA ALA 15 7.694 26.037 -29.824 109 HB1 ALA 15 HB1 ALA 15 6.535 27.266 -31.639 110 HB2 ALA 15 HB2 ALA 15 7.509 28.697 -31.287 111 HB3 ALA 15 HB3 ALA 15 6.364 28.090 -30.088 112 H GLY 16 HN GLY 16 8.653 24.565 -31.052 113 HA2 GLY 16 HA2 GLY 16 9.742 23.805 -33.050 114 HA3 GLY 16 HA1 GLY 16 10.696 25.282 -33.075 115 H GLY 17 HN GLY 17 10.815 24.812 -29.982 116 HA2 GLY 17 HA2 GLY 17 13.332 23.327 -30.003 117 HA3 GLY 17 HA1 GLY 17 12.680 24.293 -28.691 118 H SER 18 HN SER 18 13.711 22.140 -27.819 119 HA SER 18 HA SER 18 11.683 19.993 -27.614 120 HB2 SER 18 HB2 SER 18 13.668 18.580 -26.874 121 HB3 SER 18 HB1 SER 18 13.773 19.178 -28.528 122 HG SER 18 HG SER 18 15.205 20.006 -26.251 123 H LEU 19 HN LEU 19 11.499 18.913 -25.549 124 HA LEU 19 HA LEU 19 12.536 20.049 -23.104 125 HB2 LEU 19 HB2 LEU 19 10.536 21.503 -23.563 126 HB3 LEU 19 HB1 LEU 19 9.524 20.071 -23.623 127 HG LEU 19 HG LEU 19 10.029 19.633 -21.207 128 HD11 LEU 19 HD11 LEU 19 11.487 22.293 -21.276 129 HD12 LEU 19 HD12 LEU 19 12.220 20.706 -21.034 130 HD13 LEU 19 HD13 LEU 19 11.111 21.353 -19.831 131 HD21 LEU 19 HD21 LEU 19 7.986 20.846 -21.808 132 HD22 LEU 19 HD22 LEU 19 8.857 22.381 -21.763 133 HD23 LEU 19 HD23 LEU 19 8.636 21.445 -20.282 134 H ARG 20 HN ARG 20 12.928 18.324 -21.792 135 HA ARG 20 HA ARG 20 11.508 15.784 -22.324 136 HB2 ARG 20 HB2 ARG 20 13.968 15.689 -22.642 137 HB3 ARG 20 HB1 ARG 20 14.203 16.170 -20.963 138 HG2 ARG 20 HG2 ARG 20 13.168 14.099 -20.172 139 HG3 ARG 20 HG1 ARG 20 12.758 13.631 -21.825 140 HD2 ARG 20 HD2 ARG 20 14.739 12.413 -21.000 141 HD3 ARG 20 HD1 ARG 20 15.139 13.440 -22.384 142 HE ARG 20 HE ARG 20 15.590 14.526 -19.709 143 HH11 ARG 20 HH11 ARG 20 17.045 13.120 -22.571 144 HH12 ARG 20 HH12 ARG 20 18.637 13.672 -22.176 145 HH21 ARG 20 HH21 ARG 20 17.668 15.256 -19.204 146 HH22 ARG 20 HH22 ARG 20 18.989 14.886 -20.266 147 H LEU 21 HN LEU 21 10.082 15.157 -20.933 148 HA LEU 21 HA LEU 21 9.859 16.222 -18.232 149 HB2 LEU 21 HB2 LEU 21 8.067 14.336 -19.837 150 HB3 LEU 21 HB1 LEU 21 7.721 14.847 -18.197 151 HG LEU 21 HG LEU 21 6.329 16.165 -19.621 152 HD11 LEU 21 HD11 LEU 21 8.670 17.916 -18.846 153 HD12 LEU 21 HD12 LEU 21 7.354 17.403 -17.787 154 HD13 LEU 21 HD13 LEU 21 7.014 18.444 -19.166 155 HD21 LEU 21 HD21 LEU 21 7.463 15.796 -21.762 156 HD22 LEU 21 HD22 LEU 21 8.752 16.906 -21.294 157 HD23 LEU 21 HD23 LEU 21 7.105 17.506 -21.520 158 H SER 22 HN SER 22 9.652 14.791 -16.401 159 HA SER 22 HA SER 22 10.729 12.059 -16.644 160 HB2 SER 22 HB2 SER 22 11.700 14.093 -14.573 161 HB3 SER 22 HB1 SER 22 12.271 12.433 -14.771 162 HG SER 22 HG SER 22 12.566 13.618 -17.107 163 H CYS 23 HN CYS 23 9.373 10.721 -15.624 164 HA CYS 23 HA CYS 23 7.689 11.649 -13.378 165 HB2 CYS 23 HB2 CYS 23 6.252 11.067 -15.233 166 HB3 CYS 23 HB1 CYS 23 7.107 9.548 -15.498 167 HG CYS 23 HG CYS 23 4.908 10.347 -13.034 168 H VAL 24 HN VAL 24 8.805 11.025 -11.637 169 HA VAL 24 HA VAL 24 10.165 8.437 -11.486 170 HB VAL 24 HB VAL 24 9.984 10.628 -9.362 171 HG11 VAL 24 HG11 VAL 24 12.043 9.594 -8.458 172 HG12 VAL 24 HG12 VAL 24 11.970 8.350 -9.710 173 HG13 VAL 24 HG13 VAL 24 10.699 8.452 -8.488 174 HG21 VAL 24 HG21 VAL 24 12.143 10.308 -11.498 175 HG22 VAL 24 HG22 VAL 24 12.187 11.455 -10.157 176 HG23 VAL 24 HG23 VAL 24 10.955 11.613 -11.409 177 H ALA 25 HN ALA 25 9.238 6.683 -10.472 178 HA ALA 25 HA ALA 25 6.514 6.969 -9.430 179 HB1 ALA 25 HB1 ALA 25 8.137 4.464 -10.033 180 HB2 ALA 25 HB2 ALA 25 6.950 5.211 -11.101 181 HB3 ALA 25 HB3 ALA 25 6.429 4.501 -9.572 182 H SER 26 HN SER 26 6.648 7.770 -7.402 183 HA SER 26 HA SER 26 6.817 7.877 -5.150 184 HB2 SER 26 HB2 SER 26 7.178 4.851 -5.247 185 HB3 SER 26 HB1 SER 26 6.507 5.804 -3.927 186 HG SER 26 HG SER 26 5.322 5.881 -6.485 187 H GLY 27 HN GLY 27 9.242 8.314 -6.574 188 HA2 GLY 27 HA2 GLY 27 11.458 8.753 -6.087 189 HA3 GLY 27 HA1 GLY 27 11.258 7.964 -4.523 190 H ARG 28 HN ARG 28 11.373 5.651 -4.422 191 HA ARG 28 HA ARG 28 12.294 4.175 -6.794 192 HB2 ARG 28 HB2 ARG 28 13.843 4.319 -4.167 193 HB3 ARG 28 HB1 ARG 28 14.109 3.062 -5.374 194 HG2 ARG 28 HG2 ARG 28 14.811 4.747 -7.013 195 HG3 ARG 28 HG1 ARG 28 14.465 6.040 -5.860 196 HD2 ARG 28 HD2 ARG 28 16.231 5.162 -4.361 197 HD3 ARG 28 HD1 ARG 28 16.572 3.883 -5.529 198 HE ARG 28 HE ARG 28 17.306 5.576 -7.100 199 HH11 ARG 28 HH11 ARG 28 17.028 6.678 -3.766 200 HH12 ARG 28 HH12 ARG 28 18.144 7.986 -3.984 201 HH21 ARG 28 HH21 ARG 28 18.753 7.290 -7.362 202 HH22 ARG 28 HH22 ARG 28 19.119 8.331 -6.022 203 H THR 29 HN THR 29 10.407 3.059 -6.839 204 HA THR 29 HA THR 29 10.080 0.942 -4.808 205 HB THR 29 HB THR 29 8.270 2.717 -4.495 206 HG1 THR 29 HG1 THR 29 6.915 1.159 -3.958 207 HG21 THR 29 HG21 THR 29 6.425 2.825 -6.120 208 HG22 THR 29 HG22 THR 29 7.292 1.740 -7.206 209 HG23 THR 29 HG23 THR 29 7.932 3.351 -6.871 210 H PHE 30 HN PHE 30 8.746 -0.889 -5.785 211 HA PHE 30 HA PHE 30 8.901 -1.094 -8.710 212 HB2 PHE 30 HB2 PHE 30 9.916 -3.407 -8.524 213 HB3 PHE 30 HB1 PHE 30 11.003 -2.107 -8.069 214 HD1 PHE 30 HD1 PHE 30 11.414 -1.666 -5.567 215 HD2 PHE 30 HD2 PHE 30 9.456 -5.200 -6.980 216 HE1 PHE 30 HE1 PHE 30 11.892 -2.795 -3.435 217 HE2 PHE 30 HE2 PHE 30 9.940 -6.317 -4.837 218 HZ PHE 30 HZ PHE 30 11.160 -5.113 -3.069 219 H ARG 31 HN ARG 31 6.983 -1.677 -9.408 220 HA ARG 31 HA ARG 31 5.563 -3.969 -8.582 221 HB2 ARG 31 HB2 ARG 31 4.877 -2.471 -6.674 222 HB3 ARG 31 HB1 ARG 31 4.196 -1.337 -7.831 223 HG2 ARG 31 HG2 ARG 31 2.449 -2.750 -6.788 224 HG3 ARG 31 HG1 ARG 31 2.532 -2.995 -8.536 225 HD2 ARG 31 HD2 ARG 31 3.893 -5.051 -8.161 226 HD3 ARG 31 HD1 ARG 31 3.729 -4.822 -6.416 227 HE ARG 31 HE ARG 31 1.167 -4.903 -7.173 228 HH11 ARG 31 HH11 ARG 31 3.823 -7.040 -8.066 229 HH12 ARG 31 HH12 ARG 31 2.798 -8.429 -8.224 230 HH21 ARG 31 HH21 ARG 31 -0.152 -6.745 -7.380 231 HH22 ARG 31 HH22 ARG 31 0.553 -8.262 -7.842 232 H SER 32 HN SER 32 4.409 -0.771 -9.715 233 HA SER 32 HA SER 32 3.255 -1.912 -12.132 234 HB2 SER 32 HB2 SER 32 3.313 0.985 -11.149 235 HB3 SER 32 HB1 SER 32 2.370 0.383 -12.514 236 HG SER 32 HG SER 32 0.908 -0.209 -11.153 237 H ASN 33 HN ASN 33 4.243 -1.926 -14.070 238 HA ASN 33 HA ASN 33 6.559 -0.153 -14.611 239 HB2 ASN 33 HB2 ASN 33 6.129 -2.999 -15.616 240 HB3 ASN 33 HB1 ASN 33 7.479 -1.962 -16.060 241 HD21 ASN 33 HD21 ASN 33 7.815 -0.911 -13.315 242 HD22 ASN 33 HD22 ASN 33 8.530 -2.190 -12.415 243 H ALA 34 HN ALA 34 3.506 -0.170 -15.135 244 HA ALA 34 HA ALA 34 3.610 0.522 -18.011 245 HB1 ALA 34 HB1 ALA 34 2.064 -1.350 -17.551 246 HB2 ALA 34 HB2 ALA 34 1.170 0.089 -18.046 247 HB3 ALA 34 HB3 ALA 34 1.220 -0.373 -16.343 248 H MET 35 HN MET 35 3.685 2.665 -18.259 249 HA MET 35 HA MET 35 1.973 4.439 -16.666 250 HB2 MET 35 HB2 MET 35 4.886 5.076 -17.339 251 HB3 MET 35 HB1 MET 35 3.745 6.186 -16.590 252 HG2 MET 35 HG2 MET 35 5.090 5.444 -14.820 253 HG3 MET 35 HG1 MET 35 3.628 4.465 -14.666 254 HE1 MET 35 HE1 MET 35 6.735 2.163 -13.578 255 HE2 MET 35 HE2 MET 35 5.283 2.969 -12.986 256 HE3 MET 35 HE3 MET 35 6.700 3.921 -13.438 257 H GLY 36 HN GLY 36 0.670 5.483 -18.037 258 HA2 GLY 36 HA2 GLY 36 1.418 5.917 -20.851 259 HA3 GLY 36 HA1 GLY 36 -0.197 6.029 -20.173 260 H TRP 37 HN TRP 37 1.838 7.912 -21.657 261 HA TRP 37 HA TRP 37 1.746 10.274 -19.956 262 HB2 TRP 37 HB2 TRP 37 2.755 9.843 -22.808 263 HB3 TRP 37 HB1 TRP 37 2.775 11.408 -21.997 264 HD1 TRP 37 HD1 TRP 37 4.835 8.287 -22.362 265 HE1 TRP 37 HE1 TRP 37 6.891 8.436 -20.826 266 HE3 TRP 37 HE3 TRP 37 3.455 12.319 -19.501 267 HZ2 TRP 37 HZ2 TRP 37 7.802 10.018 -18.677 268 HZ3 TRP 37 HZ3 TRP 37 4.982 13.084 -17.724 269 HH2 TRP 37 HH2 TRP 37 7.114 11.952 -17.321 270 H PHE 38 HN PHE 38 0.257 11.786 -20.048 271 HA PHE 38 HA PHE 38 -1.692 11.992 -22.249 272 HB2 PHE 38 HB2 PHE 38 -2.362 12.092 -19.255 273 HB3 PHE 38 HB1 PHE 38 -3.496 12.433 -20.556 274 HD1 PHE 38 HD1 PHE 38 -1.716 9.778 -18.727 275 HD2 PHE 38 HD2 PHE 38 -4.415 10.612 -21.935 276 HE1 PHE 38 HE1 PHE 38 -2.322 7.397 -18.844 277 HE2 PHE 38 HE2 PHE 38 -5.013 8.230 -22.041 278 HZ PHE 38 HZ PHE 38 -3.966 6.620 -20.502 279 H ARG 39 HN ARG 39 -2.896 14.153 -22.019 280 HA ARG 39 HA ARG 39 -1.480 16.295 -20.616 281 HB2 ARG 39 HB2 ARG 39 -1.216 17.694 -22.607 282 HB3 ARG 39 HB1 ARG 39 -0.336 16.184 -22.805 283 HG2 ARG 39 HG2 ARG 39 -2.143 15.317 -24.270 284 HG3 ARG 39 HG1 ARG 39 -3.020 16.839 -24.071 285 HD2 ARG 39 HD2 ARG 39 -1.075 18.047 -25.062 286 HD3 ARG 39 HD1 ARG 39 -0.287 16.492 -25.338 287 HE ARG 39 HE ARG 39 -2.821 16.460 -26.553 288 HH11 ARG 39 HH11 ARG 39 0.360 17.931 -26.973 289 HH12 ARG 39 HH12 ARG 39 0.116 18.248 -28.660 290 HH21 ARG 39 HH21 ARG 39 -3.113 16.872 -28.760 291 HH22 ARG 39 HH22 ARG 39 -1.850 17.634 -29.670 292 H GLN 40 HN GLN 40 -2.813 18.051 -20.174 293 HA GLN 40 HA GLN 40 -5.617 17.899 -21.058 294 HB2 GLN 40 HB2 GLN 40 -5.497 16.776 -18.875 295 HB3 GLN 40 HB1 GLN 40 -4.665 18.160 -18.169 296 HG2 GLN 40 HG2 GLN 40 -6.633 19.545 -18.425 297 HG3 GLN 40 HG1 GLN 40 -7.471 18.277 -19.315 298 HE21 GLN 40 HE21 GLN 40 -8.278 16.494 -18.187 299 HE22 GLN 40 HE22 GLN 40 -8.474 16.497 -16.473 300 H ALA 41 HN ALA 41 -6.372 19.779 -21.685 301 HA ALA 41 HA ALA 41 -5.048 22.313 -21.062 302 HB1 ALA 41 HB1 ALA 41 -7.389 21.668 -22.903 303 HB2 ALA 41 HB2 ALA 41 -5.706 21.864 -23.392 304 HB3 ALA 41 HB3 ALA 41 -6.593 23.243 -22.749 305 HA PRO 42 HA PRO 42 -7.817 23.344 -17.644 306 HB2 PRO 42 HB2 PRO 42 -7.932 26.107 -18.873 307 HB3 PRO 42 HB1 PRO 42 -7.565 25.634 -17.203 308 HG2 PRO 42 HG2 PRO 42 -5.581 26.344 -18.819 309 HG3 PRO 42 HG1 PRO 42 -5.380 24.943 -17.746 310 HD2 PRO 42 HD2 PRO 42 -5.971 24.987 -20.708 311 HD3 PRO 42 HD1 PRO 42 -4.858 23.944 -19.791 312 H GLY 43 HN GLY 43 -9.880 22.667 -17.564 313 HA2 GLY 43 HA2 GLY 43 -12.189 22.692 -17.874 314 HA3 GLY 43 HA1 GLY 43 -12.011 23.934 -19.099 315 H LYS 44 HN LYS 44 -10.004 21.197 -19.521 316 HA LYS 44 HA LYS 44 -11.879 19.881 -21.403 317 HB2 LYS 44 HB2 LYS 44 -8.984 20.704 -21.885 318 HB3 LYS 44 HB1 LYS 44 -9.736 19.423 -22.824 319 HG2 LYS 44 HG2 LYS 44 -11.281 21.973 -22.778 320 HG3 LYS 44 HG1 LYS 44 -9.688 22.096 -23.523 321 HD2 LYS 44 HD2 LYS 44 -11.341 21.598 -25.248 322 HD3 LYS 44 HD1 LYS 44 -10.255 20.226 -25.050 323 HE2 LYS 44 HE2 LYS 44 -12.090 19.239 -23.511 324 HE3 LYS 44 HE1 LYS 44 -13.155 20.457 -24.220 325 HZ1 LYS 44 HZ1 LYS 44 -12.672 19.533 -26.397 326 HZ2 LYS 44 HZ2 LYS 44 -13.262 18.324 -25.369 327 HZ3 LYS 44 HZ3 LYS 44 -11.609 18.405 -25.718 328 H GLU 45 HN GLU 45 -11.115 17.672 -21.968 329 HA GLU 45 HA GLU 45 -10.391 16.129 -19.636 330 HB2 GLU 45 HB2 GLU 45 -10.845 14.155 -20.993 331 HB3 GLU 45 HB1 GLU 45 -12.131 15.322 -21.267 332 HG2 GLU 45 HG2 GLU 45 -9.797 14.812 -23.161 333 HG3 GLU 45 HG1 GLU 45 -11.397 14.101 -23.324 334 H ARG 46 HN ARG 46 -8.655 14.403 -19.791 335 HA ARG 46 HA ARG 46 -6.231 15.477 -21.025 336 HB2 ARG 46 HB2 ARG 46 -4.919 13.974 -19.745 337 HB3 ARG 46 HB1 ARG 46 -6.169 14.549 -18.660 338 HG2 ARG 46 HG2 ARG 46 -6.145 11.828 -20.013 339 HG3 ARG 46 HG1 ARG 46 -5.608 12.150 -18.364 340 HD2 ARG 46 HD2 ARG 46 -7.902 12.886 -17.785 341 HD3 ARG 46 HD1 ARG 46 -8.427 12.514 -19.431 342 HE ARG 46 HE ARG 46 -7.427 10.159 -18.696 343 HH11 ARG 46 HH11 ARG 46 -9.642 12.277 -16.974 344 HH12 ARG 46 HH12 ARG 46 -10.363 10.987 -16.075 345 HH21 ARG 46 HH21 ARG 46 -8.402 8.480 -17.517 346 HH22 ARG 46 HH22 ARG 46 -9.657 8.844 -16.374 347 H GLU 47 HN GLU 47 -5.571 14.896 -22.945 348 HA GLU 47 HA GLU 47 -6.732 12.634 -24.369 349 HB2 GLU 47 HB2 GLU 47 -6.691 14.820 -25.512 350 HB3 GLU 47 HB1 GLU 47 -4.946 14.905 -25.349 351 HG2 GLU 47 HG2 GLU 47 -5.564 14.291 -27.626 352 HG3 GLU 47 HG1 GLU 47 -4.685 12.975 -26.848 353 H PHE 48 HN PHE 48 -5.581 10.962 -25.123 354 HA PHE 48 HA PHE 48 -3.243 10.044 -23.823 355 HB2 PHE 48 HB2 PHE 48 -5.045 8.579 -24.707 356 HB3 PHE 48 HB1 PHE 48 -4.649 9.064 -26.347 357 HD1 PHE 48 HD1 PHE 48 -3.436 7.188 -23.390 358 HD2 PHE 48 HD2 PHE 48 -2.843 7.978 -27.550 359 HE1 PHE 48 HE1 PHE 48 -1.878 5.296 -23.531 360 HE2 PHE 48 HE2 PHE 48 -1.285 6.076 -27.676 361 HZ PHE 48 HZ PHE 48 -0.805 4.739 -25.672 362 H VAL 49 HN VAL 49 -1.148 10.314 -24.329 363 HA VAL 49 HA VAL 49 -0.341 11.526 -26.920 364 HB VAL 49 HB VAL 49 1.166 11.564 -24.253 365 HG11 VAL 49 HG11 VAL 49 1.858 12.980 -26.864 366 HG12 VAL 49 HG12 VAL 49 2.736 11.628 -26.146 367 HG13 VAL 49 HG13 VAL 49 2.705 13.189 -25.326 368 HG21 VAL 49 HG21 VAL 49 -0.836 12.986 -24.132 369 HG22 VAL 49 HG22 VAL 49 -0.351 13.831 -25.605 370 HG23 VAL 49 HG23 VAL 49 0.625 13.979 -24.140 371 H ALA 50 HN ALA 50 0.706 9.273 -24.369 372 HA ALA 50 HA ALA 50 1.844 7.378 -26.266 373 HB1 ALA 50 HB1 ALA 50 4.106 7.457 -25.273 374 HB2 ALA 50 HB2 ALA 50 3.614 8.800 -24.234 375 HB3 ALA 50 HB3 ALA 50 3.676 9.015 -25.985 376 H ALA 51 HN ALA 51 2.764 5.441 -25.045 377 HA ALA 51 HA ALA 51 2.206 5.155 -22.240 378 HB1 ALA 51 HB1 ALA 51 -0.049 4.689 -23.123 379 HB2 ALA 51 HB2 ALA 51 0.653 3.254 -22.380 380 HB3 ALA 51 HB3 ALA 51 0.602 3.402 -24.137 381 H ILE 52 HN ILE 52 3.714 3.957 -21.399 382 HA ILE 52 HA ILE 52 5.085 1.873 -22.973 383 HB ILE 52 HB ILE 52 6.110 3.157 -20.384 384 HG12 ILE 52 HG12 ILE 52 7.898 4.234 -21.937 385 HG13 ILE 52 HG11 ILE 52 6.811 3.879 -23.272 386 HG21 ILE 52 HG21 ILE 52 7.474 1.326 -22.397 387 HG22 ILE 52 HG22 ILE 52 6.924 0.875 -20.781 388 HG23 ILE 52 HG23 ILE 52 8.242 2.031 -20.971 389 HD11 ILE 52 HD11 ILE 52 6.135 5.651 -20.916 390 HD12 ILE 52 HD12 ILE 52 5.151 5.386 -22.358 391 HD13 ILE 52 HD13 ILE 52 6.701 6.208 -22.487 392 H ARG 53 HN ARG 53 4.188 -0.070 -22.486 393 HA ARG 53 HA ARG 53 2.898 -0.511 -19.889 394 HB2 ARG 53 HB2 ARG 53 2.933 -2.264 -22.384 395 HB3 ARG 53 HB1 ARG 53 2.031 -2.608 -20.905 396 HG2 ARG 53 HG2 ARG 53 0.792 -0.411 -21.291 397 HG3 ARG 53 HG1 ARG 53 1.559 -0.351 -22.884 398 HD2 ARG 53 HD2 ARG 53 -0.693 -1.327 -23.027 399 HD3 ARG 53 HD1 ARG 53 0.529 -2.534 -23.445 400 HE ARG 53 HE ARG 53 -0.223 -2.541 -20.661 401 HH11 ARG 53 HH11 ARG 53 -1.093 -3.873 -23.798 402 HH12 ARG 53 HH12 ARG 53 -1.981 -5.191 -23.111 403 HH21 ARG 53 HH21 ARG 53 -1.386 -4.220 -19.786 404 HH22 ARG 53 HH22 ARG 53 -2.149 -5.392 -20.819 405 H TRP 54 HN TRP 54 3.167 -2.844 -19.035 406 HA TRP 54 HA TRP 54 5.744 -3.366 -18.149 407 HB2 TRP 54 HB2 TRP 54 3.635 -4.285 -17.137 408 HB3 TRP 54 HB1 TRP 54 3.488 -5.397 -18.493 409 HD1 TRP 54 HD1 TRP 54 5.843 -4.698 -15.485 410 HE1 TRP 54 HE1 TRP 54 7.030 -6.879 -14.844 411 HE3 TRP 54 HE3 TRP 54 4.092 -7.722 -19.229 412 HZ2 TRP 54 HZ2 TRP 54 7.214 -9.523 -15.778 413 HZ3 TRP 54 HZ3 TRP 54 4.824 -10.074 -19.281 414 HH2 TRP 54 HH2 TRP 54 6.357 -10.958 -17.586 415 H SER 55 HN SER 55 3.965 -4.824 -20.867 416 HA SER 55 HA SER 55 6.245 -4.890 -22.583 417 HB2 SER 55 HB2 SER 55 6.306 -7.350 -22.981 418 HB3 SER 55 HB1 SER 55 6.726 -6.969 -21.307 419 HG SER 55 HG SER 55 4.395 -7.369 -20.903 420 H GLY 56 HN GLY 56 5.538 -6.238 -24.685 421 HA2 GLY 56 HA2 GLY 56 4.020 -6.777 -26.324 422 HA3 GLY 56 HA1 GLY 56 2.719 -6.522 -25.176 423 H GLY 57 HN GLY 57 5.132 -4.068 -25.894 424 HA2 GLY 57 HA2 GLY 57 4.281 -2.764 -28.109 425 HA3 GLY 57 HA1 GLY 57 3.130 -2.207 -26.892 426 H SER 58 HN SER 58 4.015 -1.315 -24.921 427 HA SER 58 HA SER 58 5.164 0.199 -23.748 428 HB2 SER 58 HB2 SER 58 7.622 -0.233 -23.450 429 HB3 SER 58 HB1 SER 58 6.621 -1.673 -23.287 430 HG SER 58 HG SER 58 8.268 -0.917 -25.466 431 H THR 59 HN THR 59 4.475 1.097 -26.414 432 HA THR 59 HA THR 59 6.131 3.412 -26.798 433 HB THR 59 HB THR 59 6.609 2.882 -29.284 434 HG1 THR 59 HG1 THR 59 6.491 0.157 -28.534 435 HG21 THR 59 HG21 THR 59 8.723 1.695 -28.906 436 HG22 THR 59 HG22 THR 59 8.190 1.215 -27.296 437 HG23 THR 59 HG23 THR 59 8.477 2.919 -27.657 438 H TYR 60 HN TYR 60 4.667 4.954 -27.347 439 HA TYR 60 HA TYR 60 2.725 4.469 -29.476 440 HB2 TYR 60 HB2 TYR 60 1.881 5.316 -26.672 441 HB3 TYR 60 HB1 TYR 60 0.918 5.726 -28.083 442 HD1 TYR 60 HD1 TYR 60 -0.144 3.881 -29.458 443 HD2 TYR 60 HD2 TYR 60 1.784 3.080 -25.731 444 HE1 TYR 60 HE1 TYR 60 -1.287 1.708 -29.324 445 HE2 TYR 60 HE2 TYR 60 0.637 0.912 -25.605 446 HH TYR 60 HH TYR 60 -1.356 -0.144 -26.465 447 H TYR 61 HN TYR 61 2.339 6.222 -30.680 448 HA TYR 61 HA TYR 61 3.041 8.921 -30.072 449 HB2 TYR 61 HB2 TYR 61 4.904 8.917 -31.987 450 HB3 TYR 61 HB1 TYR 61 5.345 8.462 -30.347 451 HD1 TYR 61 HD1 TYR 61 4.271 6.895 -33.616 452 HD2 TYR 61 HD2 TYR 61 6.492 6.419 -29.989 453 HE1 TYR 61 HE1 TYR 61 5.105 4.718 -34.401 454 HE2 TYR 61 HE2 TYR 61 7.329 4.248 -30.784 455 HH TYR 61 HH TYR 61 6.649 2.478 -32.348 456 H ALA 62 HN ALA 62 2.530 10.350 -31.833 457 HA ALA 62 HA ALA 62 0.771 9.318 -33.922 458 HB1 ALA 62 HB1 ALA 62 0.451 11.703 -34.515 459 HB2 ALA 62 HB2 ALA 62 1.687 12.172 -33.344 460 HB3 ALA 62 HB3 ALA 62 0.180 11.436 -32.792 461 H ASP 63 HN ASP 63 1.241 9.531 -36.183 462 HA ASP 63 HA ASP 63 3.843 8.841 -37.003 463 HB2 ASP 63 HB2 ASP 63 1.425 9.815 -38.578 464 HB3 ASP 63 HB1 ASP 63 2.895 9.223 -39.340 465 H SER 64 HN SER 64 2.222 11.969 -36.864 466 HA SER 64 HA SER 64 4.084 13.462 -38.424 467 HB2 SER 64 HB2 SER 64 2.174 14.449 -36.268 468 HB3 SER 64 HB1 SER 64 2.950 15.448 -37.503 469 HG SER 64 HG SER 64 0.656 14.395 -37.744 470 H VAL 65 HN VAL 65 3.866 12.679 -34.968 471 HA VAL 65 HA VAL 65 6.183 14.377 -34.313 472 HB VAL 65 HB VAL 65 5.613 14.127 -31.985 473 HG11 VAL 65 HG11 VAL 65 3.072 14.631 -33.577 474 HG12 VAL 65 HG12 VAL 65 4.325 15.819 -33.208 475 HG13 VAL 65 HG13 VAL 65 3.355 15.129 -31.905 476 HG21 VAL 65 HG21 VAL 65 3.702 12.740 -31.173 477 HG22 VAL 65 HG22 VAL 65 4.977 11.763 -31.898 478 HG23 VAL 65 HG23 VAL 65 3.501 12.092 -32.804 479 H LYS 66 HN LYS 66 5.692 11.261 -35.335 480 HA LYS 66 HA LYS 66 7.297 9.652 -33.659 481 HB2 LYS 66 HB2 LYS 66 5.690 8.882 -35.509 482 HB3 LYS 66 HB1 LYS 66 6.923 9.319 -36.676 483 HG2 LYS 66 HG2 LYS 66 7.400 7.260 -34.496 484 HG3 LYS 66 HG1 LYS 66 6.696 6.835 -36.052 485 HD2 LYS 66 HD2 LYS 66 9.473 8.018 -35.606 486 HD3 LYS 66 HD1 LYS 66 9.113 6.330 -35.978 487 HE2 LYS 66 HE2 LYS 66 8.578 8.711 -37.803 488 HE3 LYS 66 HE1 LYS 66 9.897 7.550 -37.976 489 HZ1 LYS 66 HZ1 LYS 66 6.991 6.977 -38.219 490 HZ2 LYS 66 HZ2 LYS 66 8.201 5.802 -38.259 491 HZ3 LYS 66 HZ3 LYS 66 8.134 6.980 -39.465 492 H GLY 67 HN GLY 67 9.463 9.536 -33.408 493 HA2 GLY 67 HA2 GLY 67 11.728 9.575 -34.039 494 HA3 GLY 67 HA1 GLY 67 11.337 10.560 -35.439 495 H ARG 68 HN ARG 68 9.693 12.389 -33.700 496 HA ARG 68 HA ARG 68 11.859 14.077 -32.675 497 HB2 ARG 68 HB2 ARG 68 8.931 14.860 -32.535 498 HB3 ARG 68 HB1 ARG 68 10.355 15.882 -32.720 499 HG2 ARG 68 HG2 ARG 68 10.552 14.876 -35.087 500 HG3 ARG 68 HG1 ARG 68 8.932 14.221 -34.820 501 HD2 ARG 68 HD2 ARG 68 9.804 17.101 -35.100 502 HD3 ARG 68 HD1 ARG 68 8.502 16.245 -35.935 503 HE ARG 68 HE ARG 68 8.420 17.141 -33.100 504 HH11 ARG 68 HH11 ARG 68 6.680 16.380 -36.057 505 HH12 ARG 68 HH12 ARG 68 5.190 17.042 -35.478 506 HH21 ARG 68 HH21 ARG 68 6.460 18.014 -32.380 507 HH22 ARG 68 HH22 ARG 68 5.061 17.964 -33.406 508 H PHE 69 HN PHE 69 8.724 12.832 -31.577 509 HA PHE 69 HA PHE 69 9.334 13.138 -28.762 510 HB2 PHE 69 HB2 PHE 69 6.907 12.056 -30.259 511 HB3 PHE 69 HB1 PHE 69 7.032 12.037 -28.504 512 HD1 PHE 69 HD1 PHE 69 5.281 13.488 -27.852 513 HD2 PHE 69 HD2 PHE 69 8.032 14.821 -30.847 514 HE1 PHE 69 HE1 PHE 69 4.281 15.735 -27.786 515 HE2 PHE 69 HE2 PHE 69 7.021 17.065 -30.768 516 HZ PHE 69 HZ PHE 69 5.144 17.519 -29.239 517 H THR 70 HN THR 70 10.363 11.636 -27.673 518 HA THR 70 HA THR 70 10.356 8.805 -28.486 519 HB THR 70 HB THR 70 12.742 10.323 -27.311 520 HG1 THR 70 HG1 THR 70 12.180 10.894 -29.532 521 HG21 THR 70 HG21 THR 70 14.025 8.292 -27.890 522 HG22 THR 70 HG22 THR 70 12.555 7.519 -28.481 523 HG23 THR 70 HG23 THR 70 12.715 7.901 -26.767 524 H ILE 71 HN ILE 71 9.857 7.463 -26.845 525 HA ILE 71 HA ILE 71 9.482 8.543 -24.126 526 HB ILE 71 HB ILE 71 7.975 6.677 -23.659 527 HG12 ILE 71 HG12 ILE 71 9.001 4.978 -25.276 528 HG13 ILE 71 HG11 ILE 71 7.252 4.989 -25.206 529 HG21 ILE 71 HG21 ILE 71 6.076 7.337 -25.102 530 HG22 ILE 71 HG22 ILE 71 7.199 8.177 -26.177 531 HG23 ILE 71 HG23 ILE 71 6.999 8.716 -24.509 532 HD11 ILE 71 HD11 ILE 71 7.220 6.271 -27.331 533 HD12 ILE 71 HD12 ILE 71 7.969 4.684 -27.462 534 HD13 ILE 71 HD13 ILE 71 8.978 6.121 -27.402 535 H SER 72 HN SER 72 10.217 7.328 -22.337 536 HA SER 72 HA SER 72 12.216 5.216 -22.795 537 HB2 SER 72 HB2 SER 72 12.809 7.756 -21.194 538 HB3 SER 72 HB1 SER 72 13.912 6.405 -21.459 539 HG SER 72 HG SER 72 13.181 7.141 -23.845 540 H ARG 73 HN ARG 73 12.442 3.832 -21.050 541 HA ARG 73 HA ARG 73 11.210 4.481 -18.461 542 HB2 ARG 73 HB2 ARG 73 9.457 3.204 -19.628 543 HB3 ARG 73 HB1 ARG 73 10.611 1.941 -20.045 544 HG2 ARG 73 HG2 ARG 73 10.891 1.466 -17.581 545 HG3 ARG 73 HG1 ARG 73 9.611 2.635 -17.253 546 HD2 ARG 73 HD2 ARG 73 8.790 0.293 -17.229 547 HD3 ARG 73 HD1 ARG 73 8.001 1.257 -18.483 548 HE ARG 73 HE ARG 73 10.115 0.097 -19.770 549 HH11 ARG 73 HH11 ARG 73 7.462 -1.263 -17.913 550 HH12 ARG 73 HH12 ARG 73 7.381 -2.690 -18.888 551 HH21 ARG 73 HH21 ARG 73 9.962 -1.743 -21.034 552 HH22 ARG 73 HH22 ARG 73 8.794 -2.970 -20.658 553 H ASP 74 HN ASP 74 12.491 3.900 -16.859 554 HA ASP 74 HA ASP 74 14.665 1.926 -17.240 555 HB2 ASP 74 HB2 ASP 74 14.692 4.499 -15.596 556 HB3 ASP 74 HB1 ASP 74 15.968 3.287 -15.581 557 H ASN 75 HN ASN 75 13.890 0.188 -16.244 558 HA ASN 75 HA ASN 75 12.021 0.178 -14.086 559 HB2 ASN 75 HB2 ASN 75 12.100 -1.605 -15.808 560 HB3 ASN 75 HB1 ASN 75 13.711 -2.072 -15.274 561 HD21 ASN 75 HD21 ASN 75 10.303 -2.012 -14.380 562 HD22 ASN 75 HD22 ASN 75 10.396 -3.266 -13.202 563 H ALA 76 HN ALA 76 15.446 0.444 -14.175 564 HA ALA 76 HA ALA 76 16.358 -0.814 -11.872 565 HB1 ALA 76 HB1 ALA 76 18.254 0.746 -11.957 566 HB2 ALA 76 HB2 ALA 76 17.349 1.806 -13.046 567 HB3 ALA 76 HB3 ALA 76 17.819 0.190 -13.576 568 H LYS 77 HN LYS 77 15.089 2.511 -12.178 569 HA LYS 77 HA LYS 77 14.616 2.604 -9.248 570 HB2 LYS 77 HB2 LYS 77 14.885 5.026 -9.267 571 HB3 LYS 77 HB1 LYS 77 16.335 4.278 -9.912 572 HG2 LYS 77 HG2 LYS 77 14.169 5.518 -11.646 573 HG3 LYS 77 HG1 LYS 77 15.569 6.409 -11.041 574 HD2 LYS 77 HD2 LYS 77 17.047 4.741 -12.241 575 HD3 LYS 77 HD1 LYS 77 15.589 4.034 -12.949 576 HE2 LYS 77 HE2 LYS 77 16.598 5.573 -14.547 577 HE3 LYS 77 HE1 LYS 77 15.070 6.252 -13.989 578 HZ1 LYS 77 HZ1 LYS 77 16.834 7.898 -14.099 579 HZ2 LYS 77 HZ2 LYS 77 17.762 7.011 -13.002 580 HZ3 LYS 77 HZ3 LYS 77 16.299 7.700 -12.508 581 H ASN 78 HN ASN 78 13.116 2.115 -12.068 582 HA ASN 78 HA ASN 78 11.120 2.368 -13.038 583 HB2 ASN 78 HB2 ASN 78 10.250 2.452 -10.127 584 HB3 ASN 78 HB1 ASN 78 9.104 2.384 -11.467 585 HD21 ASN 78 HD21 ASN 78 11.559 0.628 -9.705 586 HD22 ASN 78 HD22 ASN 78 11.219 -0.925 -10.377 587 H THR 79 HN THR 79 12.104 4.360 -13.820 588 HA THR 79 HA THR 79 10.277 6.636 -13.352 589 HB THR 79 HB THR 79 13.303 6.813 -13.746 590 HG1 THR 79 HG1 THR 79 11.820 6.637 -11.547 591 HG21 THR 79 HG21 THR 79 11.282 9.077 -13.522 592 HG22 THR 79 HG22 THR 79 12.188 8.649 -14.977 593 HG23 THR 79 HG23 THR 79 13.038 9.263 -13.558 594 H VAL 80 HN VAL 80 9.412 7.408 -15.163 595 HA VAL 80 HA VAL 80 10.276 6.372 -17.801 596 HB VAL 80 HB VAL 80 7.513 7.250 -16.832 597 HG11 VAL 80 HG11 VAL 80 8.288 6.174 -19.567 598 HG12 VAL 80 HG12 VAL 80 7.765 7.822 -19.209 599 HG13 VAL 80 HG13 VAL 80 6.638 6.479 -19.013 600 HG21 VAL 80 HG21 VAL 80 8.172 5.067 -15.918 601 HG22 VAL 80 HG22 VAL 80 8.555 4.480 -17.539 602 HG23 VAL 80 HG23 VAL 80 6.886 4.865 -17.110 603 H TYR 81 HN TYR 81 11.023 7.856 -19.208 604 HA TYR 81 HA TYR 81 10.667 10.749 -18.658 605 HB2 TYR 81 HB2 TYR 81 12.812 9.369 -20.344 606 HB3 TYR 81 HB1 TYR 81 12.727 11.090 -19.978 607 HD1 TYR 81 HD1 TYR 81 13.467 7.737 -18.540 608 HD2 TYR 81 HD2 TYR 81 13.519 11.955 -17.843 609 HE1 TYR 81 HE1 TYR 81 14.859 7.392 -16.541 610 HE2 TYR 81 HE2 TYR 81 14.913 11.607 -15.846 611 HH TYR 81 HH TYR 81 15.397 9.830 -14.223 612 H LEU 82 HN LEU 82 10.317 12.179 -20.475 613 HA LEU 82 HA LEU 82 9.273 10.971 -22.968 614 HB2 LEU 82 HB2 LEU 82 7.381 11.535 -21.417 615 HB3 LEU 82 HB1 LEU 82 7.936 13.198 -21.363 616 HG LEU 82 HG LEU 82 7.473 13.386 -23.821 617 HD11 LEU 82 HD11 LEU 82 6.231 10.639 -23.556 618 HD12 LEU 82 HD12 LEU 82 7.678 11.052 -24.481 619 HD13 LEU 82 HD13 LEU 82 6.113 11.701 -24.962 620 HD21 LEU 82 HD21 LEU 82 5.072 12.599 -22.136 621 HD22 LEU 82 HD22 LEU 82 5.024 13.546 -23.626 622 HD23 LEU 82 HD23 LEU 82 5.824 14.196 -22.198 623 H GLN 83 HN GLN 83 11.021 11.629 -24.210 624 HA GLN 83 HA GLN 83 12.034 14.357 -24.161 625 HB2 GLN 83 HB2 GLN 83 13.551 12.401 -24.523 626 HB3 GLN 83 HB1 GLN 83 12.711 12.033 -26.022 627 HG2 GLN 83 HG2 GLN 83 14.856 13.159 -26.429 628 HG3 GLN 83 HG1 GLN 83 13.500 14.120 -27.019 629 HE21 GLN 83 HE21 GLN 83 13.062 16.115 -26.049 630 HE22 GLN 83 HE22 GLN 83 14.123 16.860 -24.905 631 H MET 84 HN MET 84 10.543 15.767 -24.933 632 HA MET 84 HA MET 84 9.007 15.196 -27.389 633 HB2 MET 84 HB2 MET 84 8.687 17.322 -25.232 634 HB3 MET 84 HB1 MET 84 7.648 17.178 -26.642 635 HG2 MET 84 HG2 MET 84 6.805 15.054 -25.866 636 HG3 MET 84 HG1 MET 84 7.962 15.040 -24.534 637 HE1 MET 84 HE1 MET 84 6.065 18.358 -25.653 638 HE2 MET 84 HE2 MET 84 4.565 18.192 -24.744 639 HE3 MET 84 HE3 MET 84 4.917 17.087 -26.071 640 H ASN 85 HN ASN 85 10.321 15.745 -29.118 641 HA ASN 85 HA ASN 85 11.753 18.334 -29.118 642 HB2 ASN 85 HB2 ASN 85 11.985 15.932 -30.975 643 HB3 ASN 85 HB1 ASN 85 12.860 17.444 -31.206 644 HD21 ASN 85 HD21 ASN 85 14.830 16.285 -31.051 645 HD22 ASN 85 HD22 ASN 85 15.442 15.760 -29.524 646 H SER 86 HN SER 86 11.443 19.887 -30.624 647 HA SER 86 HA SER 86 10.408 21.284 -32.017 648 HB2 SER 86 HB2 SER 86 11.049 19.632 -33.747 649 HB3 SER 86 HB1 SER 86 9.529 18.771 -33.500 650 HG SER 86 HG SER 86 8.422 20.462 -34.375 651 H LEU 87 HN LEU 87 9.132 21.799 -30.164 652 HA LEU 87 HA LEU 87 6.411 20.770 -29.967 653 HB2 LEU 87 HB2 LEU 87 7.922 22.789 -28.255 654 HB3 LEU 87 HB1 LEU 87 6.307 22.171 -27.901 655 HG LEU 87 HG LEU 87 8.907 20.579 -27.934 656 HD11 LEU 87 HD11 LEU 87 8.613 21.885 -25.893 657 HD12 LEU 87 HD12 LEU 87 8.457 20.163 -25.563 658 HD13 LEU 87 HD13 LEU 87 7.014 21.180 -25.640 659 HD21 LEU 87 HD21 LEU 87 7.556 18.625 -27.312 660 HD22 LEU 87 HD22 LEU 87 7.162 19.211 -28.916 661 HD23 LEU 87 HD23 LEU 87 6.078 19.550 -27.563 662 H LYS 88 HN LYS 88 4.587 22.205 -29.764 663 HA LYS 88 HA LYS 88 4.661 24.507 -31.630 664 HB2 LYS 88 HB2 LYS 88 2.308 22.802 -30.699 665 HB3 LYS 88 HB1 LYS 88 2.240 24.070 -31.922 666 HG2 LYS 88 HG2 LYS 88 3.583 22.742 -33.459 667 HG3 LYS 88 HG1 LYS 88 3.885 21.526 -32.210 668 HD2 LYS 88 HD2 LYS 88 1.143 22.202 -33.368 669 HD3 LYS 88 HD1 LYS 88 2.129 20.814 -33.846 670 HE2 LYS 88 HE2 LYS 88 1.953 19.859 -31.608 671 HE3 LYS 88 HE1 LYS 88 1.133 21.303 -31.008 672 HZ1 LYS 88 HZ1 LYS 88 0.072 19.441 -33.056 673 HZ2 LYS 88 HZ2 LYS 88 -0.707 20.832 -32.479 674 HZ3 LYS 88 HZ3 LYS 88 -0.413 19.534 -31.441 675 HA PRO 89 HA PRO 89 3.843 27.255 -28.165 676 HB2 PRO 89 HB2 PRO 89 2.205 29.165 -29.318 677 HB3 PRO 89 HB1 PRO 89 3.949 29.071 -29.608 678 HG2 PRO 89 HG2 PRO 89 1.683 27.970 -31.281 679 HG3 PRO 89 HG1 PRO 89 3.097 28.915 -31.803 680 HD2 PRO 89 HD2 PRO 89 3.063 26.248 -32.086 681 HD3 PRO 89 HD1 PRO 89 4.559 27.081 -31.598 682 H GLU 90 HN GLU 90 1.246 25.626 -29.784 683 HA GLU 90 HA GLU 90 -0.878 26.306 -27.946 684 HB2 GLU 90 HB2 GLU 90 -2.195 24.623 -29.222 685 HB3 GLU 90 HB1 GLU 90 -1.422 25.805 -30.275 686 HG2 GLU 90 HG2 GLU 90 0.361 24.159 -30.791 687 HG3 GLU 90 HG1 GLU 90 -0.446 22.972 -29.764 688 H ASP 91 HN ASP 91 1.794 24.292 -27.615 689 HA ASP 91 HA ASP 91 0.524 22.327 -25.850 690 HB2 ASP 91 HB2 ASP 91 3.432 22.719 -26.701 691 HB3 ASP 91 HB1 ASP 91 2.903 21.452 -25.599 692 H THR 92 HN THR 92 0.351 25.134 -25.112 693 HA THR 92 HA THR 92 1.811 25.238 -22.571 694 HB THR 92 HB THR 92 -0.256 27.147 -23.766 695 HG1 THR 92 HG1 THR 92 1.672 27.153 -24.928 696 HG21 THR 92 HG21 THR 92 0.521 28.763 -22.046 697 HG22 THR 92 HG22 THR 92 1.538 27.512 -21.331 698 HG23 THR 92 HG23 THR 92 -0.215 27.336 -21.303 699 H ALA 93 HN ALA 93 1.025 23.551 -21.360 700 HA ALA 93 HA ALA 93 -1.660 23.557 -20.316 701 HB1 ALA 93 HB1 ALA 93 -0.894 21.306 -22.234 702 HB2 ALA 93 HB2 ALA 93 -2.108 22.552 -22.533 703 HB3 ALA 93 HB3 ALA 93 -2.363 21.370 -21.251 704 H VAL 94 HN VAL 94 -1.965 21.228 -19.149 705 HA VAL 94 HA VAL 94 0.537 20.668 -17.674 706 HB VAL 94 HB VAL 94 -1.220 21.456 -16.200 707 HG11 VAL 94 HG11 VAL 94 -3.229 20.944 -17.515 708 HG12 VAL 94 HG12 VAL 94 -3.390 20.337 -15.865 709 HG13 VAL 94 HG13 VAL 94 -3.026 19.221 -17.185 710 HG21 VAL 94 HG21 VAL 94 -1.324 19.598 -14.569 711 HG22 VAL 94 HG22 VAL 94 0.277 19.722 -15.304 712 HG23 VAL 94 HG23 VAL 94 -0.838 18.461 -15.832 713 H TYR 95 HN TYR 95 1.585 19.000 -18.566 714 HA TYR 95 HA TYR 95 0.238 16.684 -19.705 715 HB2 TYR 95 HB2 TYR 95 3.127 17.568 -19.473 716 HB3 TYR 95 HB1 TYR 95 2.774 15.879 -19.798 717 HD1 TYR 95 HD1 TYR 95 2.722 15.225 -22.060 718 HD2 TYR 95 HD2 TYR 95 1.737 19.274 -21.092 719 HE1 TYR 95 HE1 TYR 95 2.470 15.738 -24.448 720 HE2 TYR 95 HE2 TYR 95 1.497 19.787 -23.490 721 HH TYR 95 HH TYR 95 2.209 18.936 -25.657 722 H LEU 96 HN LEU 96 -0.152 14.835 -18.615 723 HA LEU 96 HA LEU 96 1.010 14.432 -15.938 724 HB2 LEU 96 HB2 LEU 96 -1.202 13.829 -15.037 725 HB3 LEU 96 HB1 LEU 96 -1.162 15.480 -15.608 726 HG LEU 96 HG LEU 96 -2.243 14.295 -17.824 727 HD11 LEU 96 HD11 LEU 96 -3.289 12.573 -15.557 728 HD12 LEU 96 HD12 LEU 96 -2.293 12.031 -16.914 729 HD13 LEU 96 HD13 LEU 96 -3.925 12.629 -17.204 730 HD21 LEU 96 HD21 LEU 96 -4.459 15.053 -17.065 731 HD22 LEU 96 HD22 LEU 96 -3.206 16.233 -16.683 732 HD23 LEU 96 HD23 LEU 96 -3.853 15.195 -15.411 733 H CYS 97 HN CYS 97 1.579 12.380 -15.514 734 HA CYS 97 HA CYS 97 1.145 10.288 -17.521 735 HB2 CYS 97 HB2 CYS 97 2.824 9.024 -16.232 736 HB3 CYS 97 HB1 CYS 97 3.427 10.645 -16.595 737 HG CYS 97 HG CYS 97 1.977 11.032 -13.784 738 H ALA 98 HN ALA 98 0.407 8.178 -16.815 739 HA ALA 98 HA ALA 98 -1.147 8.064 -14.311 740 HB1 ALA 98 HB1 ALA 98 -2.706 8.512 -16.176 741 HB2 ALA 98 HB2 ALA 98 -2.964 6.914 -15.481 742 HB3 ALA 98 HB3 ALA 98 -2.113 7.076 -17.019 743 H ALA 99 HN ALA 99 -1.160 5.977 -13.348 744 HA ALA 99 HA ALA 99 0.874 4.108 -14.430 745 HB1 ALA 99 HB1 ALA 99 1.512 5.120 -12.273 746 HB2 ALA 99 HB2 ALA 99 1.262 3.382 -12.108 747 HB3 ALA 99 HB3 ALA 99 0.031 4.509 -11.531 748 H GLY 100 HN GLY 100 0.141 2.231 -15.096 749 HA2 GLY 100 HA2 GLY 100 -2.476 1.172 -14.178 750 HA3 GLY 100 HA1 GLY 100 -1.841 0.998 -15.813 751 H VAL 101 HN VAL 101 -2.523 -1.259 -14.887 752 HA VAL 101 HA VAL 101 -0.108 -2.649 -13.897 753 HB VAL 101 HB VAL 101 -1.523 -4.180 -12.529 754 HG11 VAL 101 HG11 VAL 101 -0.445 -2.281 -11.408 755 HG12 VAL 101 HG12 VAL 101 -2.000 -2.630 -10.649 756 HG13 VAL 101 HG13 VAL 101 -1.840 -1.255 -11.746 757 HG21 VAL 101 HG21 VAL 101 -3.670 -3.977 -13.733 758 HG22 VAL 101 HG22 VAL 101 -3.842 -2.307 -13.190 759 HG23 VAL 101 HG23 VAL 101 -3.897 -3.624 -12.016 760 H TRP 102 HN TRP 102 -0.068 -4.927 -14.457 761 HA TRP 102 HA TRP 102 -1.018 -5.524 -17.106 762 HB2 TRP 102 HB2 TRP 102 1.223 -6.282 -16.162 763 HB3 TRP 102 HB1 TRP 102 0.352 -7.405 -15.125 764 HD1 TRP 102 HD1 TRP 102 -0.402 -9.713 -16.223 765 HE1 TRP 102 HE1 TRP 102 -0.064 -10.774 -18.541 766 HE3 TRP 102 HE3 TRP 102 1.402 -5.635 -18.746 767 HZ2 TRP 102 HZ2 TRP 102 0.852 -10.003 -21.092 768 HZ3 TRP 102 HZ3 TRP 102 1.990 -5.880 -21.123 769 HH2 TRP 102 HH2 TRP 102 1.721 -8.024 -22.276 770 H ARG 103 HN ARG 103 -3.202 -5.402 -16.905 771 HA ARG 103 HA ARG 103 -4.798 -6.716 -14.919 772 HB2 ARG 103 HB2 ARG 103 -5.392 -4.544 -15.952 773 HB3 ARG 103 HB1 ARG 103 -5.537 -5.319 -17.524 774 HG2 ARG 103 HG2 ARG 103 -7.486 -6.609 -16.691 775 HG3 ARG 103 HG1 ARG 103 -7.336 -5.808 -15.122 776 HD2 ARG 103 HD2 ARG 103 -7.775 -3.639 -16.152 777 HD3 ARG 103 HD1 ARG 103 -7.809 -4.378 -17.757 778 HE ARG 103 HE ARG 103 -9.768 -5.325 -15.790 779 HH11 ARG 103 HH11 ARG 103 -9.138 -3.364 -18.647 780 HH12 ARG 103 HH12 ARG 103 -10.816 -3.165 -19.034 781 HH21 ARG 103 HH21 ARG 103 -11.963 -5.011 -16.289 782 HH22 ARG 103 HH22 ARG 103 -12.418 -4.075 -17.675 783 H SER 104 HN SER 104 -6.348 -8.393 -15.236 784 HA SER 104 HA SER 104 -5.482 -10.708 -16.571 785 HB2 SER 104 HB2 SER 104 -8.263 -10.047 -15.511 786 HB3 SER 104 HB1 SER 104 -7.686 -11.670 -15.900 787 HG SER 104 HG SER 104 -6.350 -10.000 -14.041 788 H SER 105 HN SER 105 -7.884 -8.284 -17.505 789 HA SER 105 HA SER 105 -8.981 -9.542 -19.782 790 HB2 SER 105 HB2 SER 105 -10.072 -7.633 -18.706 791 HB3 SER 105 HB1 SER 105 -8.703 -6.587 -19.076 792 HG SER 105 HG SER 105 -10.024 -7.895 -21.186 793 H GLY 106 HN GLY 106 -5.934 -7.948 -19.287 794 HA2 GLY 106 HA2 GLY 106 -4.091 -7.926 -20.748 795 HA3 GLY 106 HA1 GLY 106 -5.158 -8.235 -22.113 796 H TRP 107 HN TRP 107 -7.055 -6.127 -21.328 797 HA TRP 107 HA TRP 107 -5.902 -3.794 -22.490 798 HB2 TRP 107 HB2 TRP 107 -8.323 -4.306 -22.698 799 HB3 TRP 107 HB1 TRP 107 -8.530 -4.154 -20.959 800 HD1 TRP 107 HD1 TRP 107 -8.808 -1.697 -19.980 801 HE1 TRP 107 HE1 TRP 107 -9.103 0.612 -21.059 802 HE3 TRP 107 HE3 TRP 107 -7.581 -2.879 -24.810 803 HZ2 TRP 107 HZ2 TRP 107 -8.856 1.792 -23.604 804 HZ3 TRP 107 HZ3 TRP 107 -7.639 -1.099 -26.511 805 HH2 TRP 107 HH2 TRP 107 -8.266 1.193 -25.919 806 H ASP 108 HN ASP 108 -4.561 -2.414 -21.481 807 HA ASP 108 HA ASP 108 -4.095 -2.532 -18.632 808 HB2 ASP 108 HB2 ASP 108 -2.424 -1.965 -20.664 809 HB3 ASP 108 HB1 ASP 108 -2.922 -0.319 -20.343 810 H THR 109 HN THR 109 -4.607 -0.946 -17.113 811 HA THR 109 HA THR 109 -6.584 1.121 -17.894 812 HB THR 109 HB THR 109 -7.821 0.537 -15.733 813 HG1 THR 109 HG1 THR 109 -5.998 -0.738 -14.890 814 HG21 THR 109 HG21 THR 109 -9.037 -1.391 -16.673 815 HG22 THR 109 HG22 THR 109 -7.746 -1.649 -17.850 816 HG23 THR 109 HG23 THR 109 -8.720 -0.178 -17.916 817 HA PRO 110 HA PRO 110 -3.812 3.673 -15.274 818 HB2 PRO 110 HB2 PRO 110 -6.040 5.661 -15.615 819 HB3 PRO 110 HB1 PRO 110 -4.313 5.846 -15.928 820 HG2 PRO 110 HG2 PRO 110 -6.033 5.621 -17.956 821 HG3 PRO 110 HG1 PRO 110 -4.448 4.825 -18.027 822 HD2 PRO 110 HD2 PRO 110 -7.143 3.615 -17.383 823 HD3 PRO 110 HD1 PRO 110 -5.845 2.986 -18.428 824 H ASP 111 HN ASP 111 -4.207 2.331 -13.414 825 HA ASP 111 HA ASP 111 -6.501 2.664 -11.695 826 HB2 ASP 111 HB2 ASP 111 -3.795 1.309 -11.367 827 HB3 ASP 111 HB1 ASP 111 -4.890 1.464 -9.998 828 H TYR 112 HN TYR 112 -3.521 4.333 -12.140 829 HA TYR 112 HA TYR 112 -4.176 6.225 -9.970 830 HB2 TYR 112 HB2 TYR 112 -1.339 5.288 -10.667 831 HB3 TYR 112 HB1 TYR 112 -1.773 6.459 -9.427 832 HD1 TYR 112 HD1 TYR 112 -1.419 2.906 -10.194 833 HD2 TYR 112 HD2 TYR 112 -3.024 5.685 -7.364 834 HE1 TYR 112 HE1 TYR 112 -1.651 1.097 -8.541 835 HE2 TYR 112 HE2 TYR 112 -3.244 3.879 -5.719 836 HH TYR 112 HH TYR 112 -3.493 1.378 -5.758 837 H TRP 113 HN TRP 113 -3.549 8.356 -10.414 838 HA TRP 113 HA TRP 113 -2.351 8.988 -13.041 839 HB2 TRP 113 HB2 TRP 113 -4.654 10.451 -11.648 840 HB3 TRP 113 HB1 TRP 113 -3.725 11.161 -12.965 841 HD1 TRP 113 HD1 TRP 113 -4.207 10.270 -15.444 842 HE1 TRP 113 HE1 TRP 113 -6.092 8.848 -16.452 843 HE3 TRP 113 HE3 TRP 113 -6.279 8.439 -11.119 844 HZ2 TRP 113 HZ2 TRP 113 -8.173 7.185 -15.563 845 HZ3 TRP 113 HZ3 TRP 113 -8.223 6.935 -11.294 846 HH2 TRP 113 HH2 TRP 113 -9.151 6.322 -13.474 847 H GLY 114 HN GLY 114 -1.173 11.055 -12.978 848 HA2 GLY 114 HA2 GLY 114 0.472 11.124 -10.567 849 HA3 GLY 114 HA1 GLY 114 0.820 11.864 -12.123 850 H GLN 115 HN GLN 115 1.506 13.539 -10.529 851 HA GLN 115 HA GLN 115 -0.615 15.223 -9.412 852 HB2 GLN 115 HB2 GLN 115 1.298 16.610 -8.569 853 HB3 GLN 115 HB1 GLN 115 1.361 14.931 -8.048 854 HG2 GLN 115 HG2 GLN 115 3.051 14.485 -9.837 855 HG3 GLN 115 HG1 GLN 115 3.037 16.204 -10.236 856 HE21 GLN 115 HE21 GLN 115 3.863 13.833 -7.800 857 HE22 GLN 115 HE22 GLN 115 4.960 14.830 -6.910 858 H GLY 116 HN GLY 116 1.260 14.978 -12.283 859 HA2 GLY 116 HA2 GLY 116 0.980 16.094 -14.289 860 HA3 GLY 116 HA1 GLY 116 0.017 17.327 -13.489 861 H THR 117 HN THR 117 2.020 17.850 -15.386 862 HA THR 117 HA THR 117 3.796 19.575 -13.824 863 HB THR 117 HB THR 117 5.208 17.648 -14.352 864 HG1 THR 117 HG1 THR 117 5.942 19.955 -14.620 865 HG21 THR 117 HG21 THR 117 4.064 16.759 -16.347 866 HG22 THR 117 HG22 THR 117 5.786 16.998 -16.651 867 HG23 THR 117 HG23 THR 117 4.609 18.149 -17.289 868 H GLN 118 HN GLN 118 3.464 21.577 -14.455 869 HA GLN 118 HA GLN 118 1.906 22.211 -16.797 870 HB2 GLN 118 HB2 GLN 118 3.095 23.911 -14.577 871 HB3 GLN 118 HB1 GLN 118 2.228 24.617 -15.937 872 HG2 GLN 118 HG2 GLN 118 0.910 22.487 -14.251 873 HG3 GLN 118 HG1 GLN 118 0.977 24.152 -13.688 874 HE21 GLN 118 HE21 GLN 118 0.565 23.430 -17.150 875 HE22 GLN 118 HE22 GLN 118 -1.079 23.925 -17.225 876 H VAL 119 HN VAL 119 2.987 21.976 -18.667 877 HA VAL 119 HA VAL 119 5.601 23.243 -19.107 878 HB VAL 119 HB VAL 119 5.604 22.180 -21.301 879 HG11 VAL 119 HG11 VAL 119 4.654 20.193 -19.200 880 HG12 VAL 119 HG12 VAL 119 6.311 20.753 -19.431 881 HG13 VAL 119 HG13 VAL 119 5.531 19.781 -20.678 882 HG21 VAL 119 HG21 VAL 119 2.764 21.225 -20.743 883 HG22 VAL 119 HG22 VAL 119 3.739 20.778 -22.147 884 HG23 VAL 119 HG23 VAL 119 3.231 22.452 -21.923 885 H THR 120 HN THR 120 5.846 25.053 -20.415 886 HA THR 120 HA THR 120 3.479 26.222 -21.750 887 HB THR 120 HB THR 120 5.493 27.765 -20.039 888 HG1 THR 120 HG1 THR 120 3.002 26.710 -19.549 889 HG21 THR 120 HG21 THR 120 3.136 28.832 -21.647 890 HG22 THR 120 HG22 THR 120 4.844 29.125 -21.995 891 HG23 THR 120 HG23 THR 120 4.112 29.773 -20.522 892 H VAL 121 HN VAL 121 4.138 25.747 -23.838 893 HA VAL 121 HA VAL 121 6.888 26.322 -24.658 894 HB VAL 121 HB VAL 121 4.540 25.422 -26.395 895 HG11 VAL 121 HG11 VAL 121 7.539 25.339 -26.930 896 HG12 VAL 121 HG12 VAL 121 6.382 26.442 -27.680 897 HG13 VAL 121 HG13 VAL 121 6.282 24.709 -28.002 898 HG21 VAL 121 HG21 VAL 121 4.946 23.765 -24.616 899 HG22 VAL 121 HG22 VAL 121 6.659 23.699 -25.040 900 HG23 VAL 121 HG23 VAL 121 5.443 23.124 -26.184 901 H SER 122 HN SER 122 7.148 28.522 -24.469 902 HA SER 122 HA SER 122 5.255 30.460 -25.393 903 HB2 SER 122 HB2 SER 122 7.090 30.893 -23.712 904 HB3 SER 122 HB1 SER 122 8.262 30.837 -25.032 905 HG SER 122 HG SER 122 7.608 32.985 -24.582 906 H SER 123 HN SER 123 5.302 31.730 -27.291 907 HA SER 123 HA SER 123 5.985 30.275 -29.674 908 HB2 SER 123 HB2 SER 123 3.885 31.556 -29.521 909 HB3 SER 123 HB1 SER 123 4.789 33.053 -29.298 910 HG SER 123 HG SER 123 5.469 32.958 -31.384 911 H LEU 124 HN LEU 124 8.260 30.172 -29.529 912 HA LEU 124 HA LEU 124 10.357 30.606 -30.128 913 HB2 LEU 124 HB2 LEU 124 9.135 33.064 -31.403 914 HB3 LEU 124 HB1 LEU 124 10.865 32.807 -31.424 915 HG LEU 124 HG LEU 124 9.972 32.112 -33.552 916 HD11 LEU 124 HD11 LEU 124 11.821 30.775 -32.696 917 HD12 LEU 124 HD12 LEU 124 10.749 29.810 -33.705 918 HD13 LEU 124 HD13 LEU 124 10.687 29.644 -31.947 919 HD21 LEU 124 HD21 LEU 124 7.643 31.713 -32.933 920 HD22 LEU 124 HD22 LEU 124 8.096 30.240 -32.077 921 HD23 LEU 124 HD23 LEU 124 8.292 30.340 -33.830 922 H GLU 125 HN GLU 125 9.155 33.799 -29.065 923 HA GLU 125 HA GLU 125 11.552 34.567 -27.749 924 HB2 GLU 125 HB2 GLU 125 8.755 35.710 -27.403 925 HB3 GLU 125 HB1 GLU 125 10.275 36.527 -27.023 926 HG2 GLU 125 HG2 GLU 125 10.857 36.545 -29.421 927 HG3 GLU 125 HG1 GLU 125 9.360 35.690 -29.801 928 H HIS 126 HN HIS 126 12.237 33.383 -25.991 929 HA HIS 126 HA HIS 126 10.463 32.329 -23.981 930 HB2 HIS 126 HB2 HIS 126 12.518 31.683 -22.762 931 HB3 HIS 126 HB1 HIS 126 12.590 31.186 -24.444 932 HD1 HIS 126 HD1 HIS 126 14.422 32.219 -25.915 933 HD2 HIS 126 HD2 HIS 126 14.434 33.635 -22.009 934 HE1 HIS 126 HE1 HIS 126 16.592 33.451 -25.651 935 HE2 HIS 126 HE2 HIS 126 16.494 34.437 -23.344 936 H HIS 127 HN HIS 127 9.680 33.362 -22.183 937 HA HIS 127 HA HIS 127 10.939 35.786 -21.147 938 HB2 HIS 127 HB2 HIS 127 9.466 36.580 -23.026 939 HB3 HIS 127 HB1 HIS 127 8.077 35.848 -22.226 940 HD1 HIS 127 HD1 HIS 127 10.573 38.657 -21.813 941 HD2 HIS 127 HD2 HIS 127 6.927 37.427 -20.256 942 HE1 HIS 127 HE1 HIS 127 9.776 40.566 -20.392 943 HE2 HIS 127 HE2 HIS 127 7.661 39.722 -19.326 944 H HIS 128 HN HIS 128 11.139 35.108 -19.120 945 HA HIS 128 HA HIS 128 8.821 35.057 -17.425 946 HB2 HIS 128 HB2 HIS 128 9.397 32.863 -16.270 947 HB3 HIS 128 HB1 HIS 128 8.765 32.682 -17.898 948 HD1 HIS 128 HD1 HIS 128 11.887 32.212 -15.870 949 HD2 HIS 128 HD2 HIS 128 10.541 31.499 -19.731 950 HE1 HIS 128 HE1 HIS 128 13.625 30.735 -16.921 951 HE2 HIS 128 HE2 HIS 128 12.739 30.244 -19.229 952 H HIS 129 HN HIS 129 9.834 36.972 -16.814 953 HA HIS 129 HA HIS 129 12.517 36.877 -15.593 954 HB2 HIS 129 HB2 HIS 129 11.716 38.608 -17.427 955 HB3 HIS 129 HB1 HIS 129 10.914 39.421 -16.089 956 HD1 HIS 129 HD1 HIS 129 12.389 40.889 -14.604 957 HD2 HIS 129 HD2 HIS 129 14.573 38.503 -17.214 958 HE1 HIS 129 HE1 HIS 129 14.757 41.705 -14.455 959 HE2 HIS 129 HE2 HIS 129 16.077 40.159 -15.927 960 H HIS 130 HN HIS 130 12.508 36.497 -13.444 961 HA HIS 130 HA HIS 130 10.145 36.401 -11.869 962 HB2 HIS 130 HB2 HIS 130 12.098 34.877 -11.565 963 HB3 HIS 130 HB1 HIS 130 13.060 36.221 -10.963 964 HD1 HIS 130 HD1 HIS 130 12.523 37.062 -8.528 965 HD2 HIS 130 HD2 HIS 130 10.278 33.776 -9.741 966 HE1 HIS 130 HE1 HIS 130 11.440 36.174 -6.445 967 HE2 HIS 130 HE2 HIS 130 9.967 34.299 -7.227 968 H HIS 131 HN HIS 131 12.798 38.760 -12.058 969 HA HIS 131 HA HIS 131 11.213 40.769 -10.651 970 HB2 HIS 131 HB2 HIS 131 12.462 39.707 -8.795 971 HB3 HIS 131 HB1 HIS 131 13.986 39.960 -9.640 972 HD1 HIS 131 HD1 HIS 131 15.030 42.291 -9.515 973 HD2 HIS 131 HD2 HIS 131 11.321 42.066 -7.659 974 HE1 HIS 131 HE1 HIS 131 14.777 44.454 -8.269 975 HE2 HIS 131 HE2 HIS 131 12.500 44.321 -7.201 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 -2.053 -0.058 -2.297 2 H2 MET 1 HT2 MET 1 -0.526 -0.590 -2.792 3 H3 MET 1 HT3 MET 1 -1.854 -1.633 -2.866 4 HA MET 1 HA MET 1 -1.194 -0.754 -5.029 5 HB2 MET 1 HB2 MET 1 -3.491 -0.150 -5.762 6 HB3 MET 1 HB1 MET 1 -3.472 -1.546 -4.699 7 HG2 MET 1 HG2 MET 1 -5.350 -0.214 -4.072 8 HG3 MET 1 HG1 MET 1 -4.138 -0.011 -2.806 9 HE1 MET 1 HE1 MET 1 -5.596 2.131 -1.956 10 HE2 MET 1 HE2 MET 1 -6.719 1.900 -3.298 11 HE3 MET 1 HE3 MET 1 -6.002 3.486 -3.010 12 H GLN 2 HN GLN 2 -0.910 1.470 -2.657 13 HA GLN 2 HA GLN 2 -1.609 3.935 -3.943 14 HB2 GLN 2 HB2 GLN 2 0.041 3.353 -1.433 15 HB3 GLN 2 HB1 GLN 2 -0.324 4.974 -2.011 16 HG2 GLN 2 HG2 GLN 2 -1.902 4.653 -0.330 17 HG3 GLN 2 HG1 GLN 2 -2.814 4.294 -1.785 18 HE21 GLN 2 HE21 GLN 2 -3.325 3.524 0.993 19 HE22 GLN 2 HE22 GLN 2 -3.406 1.800 1.012 20 H LEU 3 HN LEU 3 -0.531 4.037 -5.889 21 HA LEU 3 HA LEU 3 2.384 3.730 -6.020 22 HB2 LEU 3 HB2 LEU 3 0.679 2.639 -7.668 23 HB3 LEU 3 HB1 LEU 3 0.503 4.234 -8.367 24 HG LEU 3 HG LEU 3 2.020 2.717 -9.654 25 HD11 LEU 3 HD11 LEU 3 3.846 4.267 -10.067 26 HD12 LEU 3 HD12 LEU 3 3.449 5.155 -8.592 27 HD13 LEU 3 HD13 LEU 3 2.301 5.109 -9.932 28 HD21 LEU 3 HD21 LEU 3 2.986 1.464 -7.792 29 HD22 LEU 3 HD22 LEU 3 3.883 2.894 -7.274 30 HD23 LEU 3 HD23 LEU 3 4.239 2.141 -8.832 31 H GLN 4 HN GLN 4 3.567 5.525 -5.639 32 HA GLN 4 HA GLN 4 2.573 8.238 -6.000 33 HB2 GLN 4 HB2 GLN 4 5.316 7.193 -5.151 34 HB3 GLN 4 HB1 GLN 4 4.848 8.894 -5.137 35 HG2 GLN 4 HG2 GLN 4 3.138 8.417 -3.426 36 HG3 GLN 4 HG1 GLN 4 3.540 6.700 -3.492 37 HE21 GLN 4 HE21 GLN 4 4.629 9.861 -2.452 38 HE22 GLN 4 HE22 GLN 4 5.879 9.305 -1.397 39 H LEU 5 HN LEU 5 2.949 9.516 -7.757 40 HA LEU 5 HA LEU 5 5.132 8.895 -9.661 41 HB2 LEU 5 HB2 LEU 5 2.269 9.686 -10.313 42 HB3 LEU 5 HB1 LEU 5 3.574 9.792 -11.482 43 HG LEU 5 HG LEU 5 2.715 7.189 -10.160 44 HD11 LEU 5 HD11 LEU 5 1.563 6.640 -12.253 45 HD12 LEU 5 HD12 LEU 5 1.906 8.256 -12.879 46 HD13 LEU 5 HD13 LEU 5 0.853 8.056 -11.475 47 HD21 LEU 5 HD21 LEU 5 5.032 7.175 -10.993 48 HD22 LEU 5 HD22 LEU 5 4.484 7.710 -12.584 49 HD23 LEU 5 HD23 LEU 5 4.009 6.122 -11.971 50 H VAL 6 HN VAL 6 6.468 10.606 -9.853 51 HA VAL 6 HA VAL 6 5.495 13.342 -9.200 52 HB VAL 6 HB VAL 6 8.302 12.230 -8.691 53 HG11 VAL 6 HG11 VAL 6 7.088 14.916 -7.905 54 HG12 VAL 6 HG12 VAL 6 8.325 14.660 -9.139 55 HG13 VAL 6 HG13 VAL 6 8.695 14.347 -7.442 56 HG21 VAL 6 HG21 VAL 6 6.077 12.781 -6.682 57 HG22 VAL 6 HG22 VAL 6 7.731 12.326 -6.270 58 HG23 VAL 6 HG23 VAL 6 6.696 11.190 -7.139 59 H GLU 7 HN GLU 7 5.188 14.148 -11.234 60 HA GLU 7 HA GLU 7 7.166 13.767 -13.361 61 HB2 GLU 7 HB2 GLU 7 4.530 15.311 -13.456 62 HB3 GLU 7 HB1 GLU 7 5.586 14.980 -14.821 63 HG2 GLU 7 HG2 GLU 7 3.996 13.352 -15.134 64 HG3 GLU 7 HG1 GLU 7 5.186 12.463 -14.192 65 H SER 8 HN SER 8 8.608 15.287 -13.964 66 HA SER 8 HA SER 8 8.353 18.100 -13.169 67 HB2 SER 8 HB2 SER 8 10.788 16.374 -12.493 68 HB3 SER 8 HB1 SER 8 10.709 18.124 -12.301 69 HG SER 8 HG SER 8 8.620 16.886 -11.064 70 H GLY 9 HN GLY 9 9.965 19.460 -14.318 71 HA2 GLY 9 HA2 GLY 9 11.726 19.545 -16.057 72 HA3 GLY 9 HA1 GLY 9 10.847 18.292 -16.921 73 H GLY 10 HN GLY 10 8.308 19.782 -15.984 74 HA2 GLY 10 HA2 GLY 10 7.681 21.079 -18.395 75 HA3 GLY 10 HA1 GLY 10 6.781 21.211 -16.894 76 H GLY 11 HN GLY 11 8.292 22.990 -19.160 77 HA2 GLY 11 HA2 GLY 11 8.541 25.383 -17.544 78 HA3 GLY 11 HA1 GLY 11 10.067 24.776 -18.196 79 H LEU 12 HN LEU 12 9.768 27.092 -19.115 80 HA LEU 12 HA LEU 12 8.020 27.280 -21.442 81 HB2 LEU 12 HB2 LEU 12 8.278 29.173 -19.805 82 HB3 LEU 12 HB1 LEU 12 9.937 29.326 -20.342 83 HG LEU 12 HG LEU 12 9.043 29.765 -22.683 84 HD11 LEU 12 HD11 LEU 12 6.802 28.855 -22.433 85 HD12 LEU 12 HD12 LEU 12 6.736 30.551 -22.900 86 HD13 LEU 12 HD13 LEU 12 6.412 30.089 -21.229 87 HD21 LEU 12 HD21 LEU 12 8.557 32.124 -22.269 88 HD22 LEU 12 HD22 LEU 12 9.928 31.574 -21.306 89 HD23 LEU 12 HD23 LEU 12 8.347 31.790 -20.547 90 H VAL 13 HN VAL 13 8.744 26.408 -23.276 91 HA VAL 13 HA VAL 13 11.510 27.007 -24.197 92 HB VAL 13 HB VAL 13 11.496 24.948 -25.568 93 HG11 VAL 13 HG11 VAL 13 10.838 24.333 -22.662 94 HG12 VAL 13 HG12 VAL 13 12.426 24.771 -23.297 95 HG13 VAL 13 HG13 VAL 13 11.676 23.246 -23.775 96 HG21 VAL 13 HG21 VAL 13 8.781 24.319 -24.321 97 HG22 VAL 13 HG22 VAL 13 9.707 23.213 -25.339 98 HG23 VAL 13 HG23 VAL 13 9.079 24.715 -26.017 99 H GLN 14 HN GLN 14 11.656 27.777 -26.361 100 HA GLN 14 HA GLN 14 9.274 29.036 -27.390 101 HB2 GLN 14 HB2 GLN 14 10.633 30.113 -29.030 102 HB3 GLN 14 HB1 GLN 14 11.597 30.075 -27.562 103 HG2 GLN 14 HG2 GLN 14 11.932 28.238 -29.951 104 HG3 GLN 14 HG1 GLN 14 12.929 29.641 -29.589 105 HE21 GLN 14 HE21 GLN 14 13.703 26.870 -29.968 106 HE22 GLN 14 HE22 GLN 14 14.575 26.427 -28.541 107 H ALA 15 HN ALA 15 8.304 28.708 -29.464 108 HA ALA 15 HA ALA 15 7.772 26.101 -30.298 109 HB1 ALA 15 HB1 ALA 15 6.312 28.005 -30.812 110 HB2 ALA 15 HB2 ALA 15 6.731 27.122 -32.281 111 HB3 ALA 15 HB3 ALA 15 7.526 28.656 -31.916 112 H GLY 16 HN GLY 16 9.110 24.695 -31.177 113 HA2 GLY 16 HA2 GLY 16 10.357 23.927 -33.117 114 HA3 GLY 16 HA1 GLY 16 11.196 25.476 -33.135 115 H GLY 17 HN GLY 17 10.865 24.851 -29.989 116 HA2 GLY 17 HA2 GLY 17 13.557 23.752 -29.661 117 HA3 GLY 17 HA1 GLY 17 12.554 24.505 -28.429 118 H SER 18 HN SER 18 13.324 22.660 -27.162 119 HA SER 18 HA SER 18 11.606 20.295 -27.400 120 HB2 SER 18 HB2 SER 18 13.583 18.801 -26.992 121 HB3 SER 18 HB1 SER 18 13.649 19.632 -28.543 122 HG SER 18 HG SER 18 14.890 21.010 -26.502 123 H LEU 19 HN LEU 19 11.263 19.194 -25.453 124 HA LEU 19 HA LEU 19 12.481 20.131 -22.973 125 HB2 LEU 19 HB2 LEU 19 10.422 21.542 -23.439 126 HB3 LEU 19 HB1 LEU 19 9.459 20.073 -23.369 127 HG LEU 19 HG LEU 19 10.194 19.749 -20.991 128 HD11 LEU 19 HD11 LEU 19 11.260 21.609 -19.784 129 HD12 LEU 19 HD12 LEU 19 11.470 22.484 -21.300 130 HD13 LEU 19 HD13 LEU 19 12.315 20.956 -21.036 131 HD21 LEU 19 HD21 LEU 19 8.759 21.478 -20.034 132 HD22 LEU 19 HD22 LEU 19 8.046 20.808 -21.501 133 HD23 LEU 19 HD23 LEU 19 8.824 22.395 -21.544 134 H ARG 20 HN ARG 20 13.011 18.349 -21.838 135 HA ARG 20 HA ARG 20 11.647 15.785 -22.382 136 HB2 ARG 20 HB2 ARG 20 14.093 15.801 -22.754 137 HB3 ARG 20 HB1 ARG 20 14.351 16.325 -21.093 138 HG2 ARG 20 HG2 ARG 20 13.373 14.172 -20.291 139 HG3 ARG 20 HG1 ARG 20 13.191 13.654 -21.970 140 HD2 ARG 20 HD2 ARG 20 15.811 14.292 -20.562 141 HD3 ARG 20 HD1 ARG 20 15.215 12.677 -20.964 142 HE ARG 20 HE ARG 20 15.375 14.298 -23.292 143 HH11 ARG 20 HH11 ARG 20 17.476 12.502 -21.120 144 HH12 ARG 20 HH12 ARG 20 18.720 12.305 -22.308 145 HH21 ARG 20 HH21 ARG 20 16.996 14.045 -24.824 146 HH22 ARG 20 HH22 ARG 20 18.448 13.187 -24.419 147 H LEU 21 HN LEU 21 10.170 15.198 -20.947 148 HA LEU 21 HA LEU 21 10.128 16.165 -18.211 149 HB2 LEU 21 HB2 LEU 21 8.220 14.294 -19.679 150 HB3 LEU 21 HB1 LEU 21 7.975 14.903 -18.055 151 HG LEU 21 HG LEU 21 6.552 16.220 -19.391 152 HD11 LEU 21 HD11 LEU 21 7.409 18.483 -19.284 153 HD12 LEU 21 HD12 LEU 21 9.055 17.882 -19.093 154 HD13 LEU 21 HD13 LEU 21 7.850 17.575 -17.840 155 HD21 LEU 21 HD21 LEU 21 7.375 15.562 -21.590 156 HD22 LEU 21 HD22 LEU 21 8.781 16.614 -21.401 157 HD23 LEU 21 HD23 LEU 21 7.161 17.311 -21.493 158 H SER 22 HN SER 22 9.975 14.705 -16.401 159 HA SER 22 HA SER 22 10.932 11.944 -16.724 160 HB2 SER 22 HB2 SER 22 12.213 13.847 -14.709 161 HB3 SER 22 HB1 SER 22 12.709 12.202 -15.113 162 HG SER 22 HG SER 22 12.849 13.402 -17.368 163 H CYS 23 HN CYS 23 9.721 10.638 -15.442 164 HA CYS 23 HA CYS 23 8.166 11.770 -13.197 165 HB2 CYS 23 HB2 CYS 23 6.685 11.139 -15.067 166 HB3 CYS 23 HB1 CYS 23 7.359 9.511 -15.074 167 HG CYS 23 HG CYS 23 5.336 10.942 -12.718 168 H VAL 24 HN VAL 24 8.774 10.986 -11.301 169 HA VAL 24 HA VAL 24 10.500 8.666 -11.046 170 HB VAL 24 HB VAL 24 9.381 10.549 -8.924 171 HG11 VAL 24 HG11 VAL 24 11.664 8.546 -8.713 172 HG12 VAL 24 HG12 VAL 24 10.088 8.409 -7.932 173 HG13 VAL 24 HG13 VAL 24 11.195 9.698 -7.460 174 HG21 VAL 24 HG21 VAL 24 11.608 11.655 -8.965 175 HG22 VAL 24 HG22 VAL 24 10.789 11.793 -10.522 176 HG23 VAL 24 HG23 VAL 24 12.096 10.622 -10.312 177 H ALA 25 HN ALA 25 9.625 6.692 -10.875 178 HA ALA 25 HA ALA 25 6.834 6.324 -10.093 179 HB1 ALA 25 HB1 ALA 25 7.618 5.236 -12.148 180 HB2 ALA 25 HB2 ALA 25 7.098 4.037 -10.963 181 HB3 ALA 25 HB3 ALA 25 8.822 4.325 -11.232 182 H SER 26 HN SER 26 6.694 6.434 -7.952 183 HA SER 26 HA SER 26 6.633 5.873 -5.799 184 HB2 SER 26 HB2 SER 26 6.608 3.401 -5.283 185 HB3 SER 26 HB1 SER 26 5.530 3.878 -6.589 186 HG SER 26 HG SER 26 8.067 3.086 -7.376 187 H GLY 27 HN GLY 27 8.769 7.171 -5.951 188 HA2 GLY 27 HA2 GLY 27 10.773 7.637 -4.925 189 HA3 GLY 27 HA1 GLY 27 10.667 6.094 -4.089 190 H ARG 28 HN ARG 28 11.414 4.205 -5.158 191 HA ARG 28 HA ARG 28 12.559 4.246 -7.797 192 HB2 ARG 28 HB2 ARG 28 14.383 5.284 -6.376 193 HB3 ARG 28 HB1 ARG 28 14.457 3.794 -5.444 194 HG2 ARG 28 HG2 ARG 28 15.279 2.556 -7.359 195 HG3 ARG 28 HG1 ARG 28 14.993 3.926 -8.438 196 HD2 ARG 28 HD2 ARG 28 17.397 3.623 -7.820 197 HD3 ARG 28 HD1 ARG 28 16.754 5.208 -7.379 198 HE ARG 28 HE ARG 28 16.897 3.045 -5.370 199 HH11 ARG 28 HH11 ARG 28 18.026 6.220 -6.416 200 HH12 ARG 28 HH12 ARG 28 18.684 6.618 -4.862 201 HH21 ARG 28 HH21 ARG 28 17.766 3.595 -3.357 202 HH22 ARG 28 HH22 ARG 28 18.520 5.140 -3.131 203 H THR 29 HN THR 29 10.459 2.962 -6.655 204 HA THR 29 HA THR 29 11.263 0.122 -6.423 205 HB THR 29 HB THR 29 8.640 1.425 -5.527 206 HG1 THR 29 HG1 THR 29 10.836 0.513 -3.947 207 HG21 THR 29 HG21 THR 29 8.235 -0.687 -4.315 208 HG22 THR 29 HG22 THR 29 9.733 -1.356 -4.960 209 HG23 THR 29 HG23 THR 29 8.393 -0.995 -6.051 210 H PHE 30 HN PHE 30 9.965 -1.396 -7.614 211 HA PHE 30 HA PHE 30 8.680 -0.321 -10.047 212 HB2 PHE 30 HB2 PHE 30 9.197 -2.508 -11.092 213 HB3 PHE 30 HB1 PHE 30 10.659 -1.744 -10.489 214 HD1 PHE 30 HD1 PHE 30 8.744 -4.755 -10.526 215 HD2 PHE 30 HD2 PHE 30 11.522 -2.558 -8.137 216 HE1 PHE 30 HE1 PHE 30 9.265 -6.794 -9.263 217 HE2 PHE 30 HE2 PHE 30 12.039 -4.597 -6.874 218 HZ PHE 30 HZ PHE 30 10.911 -6.716 -7.430 219 H ARG 31 HN ARG 31 6.557 -0.357 -9.959 220 HA ARG 31 HA ARG 31 5.034 -2.704 -9.160 221 HB2 ARG 31 HB2 ARG 31 4.710 0.012 -7.811 222 HB3 ARG 31 HB1 ARG 31 3.351 -1.097 -7.939 223 HG2 ARG 31 HG2 ARG 31 4.584 -2.774 -6.610 224 HG3 ARG 31 HG1 ARG 31 5.957 -1.668 -6.487 225 HD2 ARG 31 HD2 ARG 31 4.634 -0.075 -5.219 226 HD3 ARG 31 HD1 ARG 31 3.166 -1.026 -5.463 227 HE ARG 31 HE ARG 31 4.842 -2.753 -4.186 228 HH11 ARG 31 HH11 ARG 31 3.815 0.498 -3.371 229 HH12 ARG 31 HH12 ARG 31 3.811 0.189 -1.665 230 HH21 ARG 31 HH21 ARG 31 4.816 -3.136 -1.969 231 HH22 ARG 31 HH22 ARG 31 4.383 -1.862 -0.877 232 H SER 32 HN SER 32 2.659 -2.250 -9.739 233 HA SER 32 HA SER 32 1.044 -1.822 -11.224 234 HB2 SER 32 HB2 SER 32 1.354 0.554 -10.603 235 HB3 SER 32 HB1 SER 32 2.587 0.733 -11.850 236 HG SER 32 HG SER 32 1.031 0.484 -13.399 237 H ASN 33 HN ASN 33 0.823 -3.095 -12.945 238 HA ASN 33 HA ASN 33 2.897 -4.116 -14.487 239 HB2 ASN 33 HB2 ASN 33 1.110 -5.073 -15.956 240 HB3 ASN 33 HB1 ASN 33 0.824 -5.331 -14.237 241 HD21 ASN 33 HD21 ASN 33 -0.143 -3.346 -17.009 242 HD22 ASN 33 HD22 ASN 33 -1.693 -2.902 -16.391 243 H ALA 34 HN ALA 34 0.864 -1.317 -15.145 244 HA ALA 34 HA ALA 34 2.541 -0.670 -17.477 245 HB1 ALA 34 HB1 ALA 34 0.572 -0.012 -18.801 246 HB2 ALA 34 HB2 ALA 34 -0.500 -0.552 -17.504 247 HB3 ALA 34 HB3 ALA 34 0.496 -1.722 -18.370 248 H MET 35 HN MET 35 2.722 1.505 -17.924 249 HA MET 35 HA MET 35 1.374 3.539 -16.308 250 HB2 MET 35 HB2 MET 35 4.414 3.306 -16.626 251 HB3 MET 35 HB1 MET 35 3.611 4.771 -16.067 252 HG2 MET 35 HG2 MET 35 2.778 3.598 -14.093 253 HG3 MET 35 HG1 MET 35 3.480 2.086 -14.671 254 HE1 MET 35 HE1 MET 35 4.689 1.705 -12.367 255 HE2 MET 35 HE2 MET 35 4.001 3.205 -11.740 256 HE3 MET 35 HE3 MET 35 5.731 2.895 -11.588 257 H GLY 36 HN GLY 36 1.228 5.581 -17.456 258 HA2 GLY 36 HA2 GLY 36 2.142 5.626 -20.249 259 HA3 GLY 36 HA1 GLY 36 0.403 5.549 -19.986 260 H TRP 37 HN TRP 37 2.018 7.639 -21.251 261 HA TRP 37 HA TRP 37 1.776 9.924 -19.415 262 HB2 TRP 37 HB2 TRP 37 2.918 9.720 -22.236 263 HB3 TRP 37 HB1 TRP 37 2.753 11.241 -21.371 264 HD1 TRP 37 HD1 TRP 37 4.981 8.151 -21.554 265 HE1 TRP 37 HE1 TRP 37 7.051 8.536 -20.089 266 HE3 TRP 37 HE3 TRP 37 3.495 12.424 -19.139 267 HZ2 TRP 37 HZ2 TRP 37 7.932 10.373 -18.143 268 HZ3 TRP 37 HZ3 TRP 37 5.023 13.434 -17.481 269 HH2 TRP 37 HH2 TRP 37 7.202 12.423 -16.995 270 H PHE 38 HN PHE 38 0.498 11.687 -19.853 271 HA PHE 38 HA PHE 38 -1.570 11.579 -21.933 272 HB2 PHE 38 HB2 PHE 38 -2.072 11.969 -18.941 273 HB3 PHE 38 HB1 PHE 38 -3.237 12.459 -20.160 274 HD1 PHE 38 HD1 PHE 38 -4.660 10.845 -21.250 275 HD2 PHE 38 HD2 PHE 38 -1.597 9.530 -18.569 276 HE1 PHE 38 HE1 PHE 38 -5.652 8.603 -21.206 277 HE2 PHE 38 HE2 PHE 38 -2.595 7.285 -18.544 278 HZ PHE 38 HZ PHE 38 -4.619 6.819 -19.861 279 H ARG 39 HN ARG 39 -2.333 13.648 -22.533 280 HA ARG 39 HA ARG 39 -0.949 15.997 -21.375 281 HB2 ARG 39 HB2 ARG 39 -0.783 17.023 -23.582 282 HB3 ARG 39 HB1 ARG 39 0.019 15.473 -23.576 283 HG2 ARG 39 HG2 ARG 39 -1.011 15.293 -25.610 284 HG3 ARG 39 HG1 ARG 39 -2.306 14.638 -24.610 285 HD2 ARG 39 HD2 ARG 39 -3.447 16.811 -24.628 286 HD3 ARG 39 HD1 ARG 39 -2.118 17.526 -25.549 287 HE ARG 39 HE ARG 39 -3.010 15.368 -27.030 288 HH11 ARG 39 HH11 ARG 39 -4.502 18.340 -25.872 289 HH12 ARG 39 HH12 ARG 39 -5.546 18.475 -27.246 290 HH21 ARG 39 HH21 ARG 39 -4.398 15.566 -28.800 291 HH22 ARG 39 HH22 ARG 39 -5.485 16.916 -28.902 292 H GLN 40 HN GLN 40 -2.211 17.702 -20.896 293 HA GLN 40 HA GLN 40 -5.023 17.813 -21.714 294 HB2 GLN 40 HB2 GLN 40 -5.044 16.384 -19.689 295 HB3 GLN 40 HB1 GLN 40 -4.094 17.576 -18.805 296 HG2 GLN 40 HG2 GLN 40 -5.966 19.172 -18.935 297 HG3 GLN 40 HG1 GLN 40 -6.925 17.995 -19.831 298 HE21 GLN 40 HE21 GLN 40 -7.734 16.190 -18.753 299 HE22 GLN 40 HE22 GLN 40 -7.848 16.115 -17.035 300 H ALA 41 HN ALA 41 -5.519 19.918 -22.107 301 HA ALA 41 HA ALA 41 -3.905 22.106 -21.009 302 HB1 ALA 41 HB1 ALA 41 -6.278 22.153 -22.911 303 HB2 ALA 41 HB2 ALA 41 -4.581 22.200 -23.377 304 HB3 ALA 41 HB3 ALA 41 -5.278 23.544 -22.475 305 HA PRO 42 HA PRO 42 -6.523 23.059 -17.484 306 HB2 PRO 42 HB2 PRO 42 -6.606 25.917 -18.476 307 HB3 PRO 42 HB1 PRO 42 -6.185 25.294 -16.873 308 HG2 PRO 42 HG2 PRO 42 -4.256 26.098 -18.514 309 HG3 PRO 42 HG1 PRO 42 -4.041 24.625 -17.546 310 HD2 PRO 42 HD2 PRO 42 -4.711 24.881 -20.476 311 HD3 PRO 42 HD1 PRO 42 -3.617 23.740 -19.660 312 H GLY 43 HN GLY 43 -8.494 22.088 -17.748 313 HA2 GLY 43 HA2 GLY 43 -10.823 22.187 -17.844 314 HA3 GLY 43 HA1 GLY 43 -10.736 23.670 -18.778 315 H LYS 44 HN LYS 44 -8.857 20.866 -19.711 316 HA LYS 44 HA LYS 44 -10.718 20.243 -21.937 317 HB2 LYS 44 HB2 LYS 44 -7.700 20.632 -22.060 318 HB3 LYS 44 HB1 LYS 44 -8.593 19.795 -23.322 319 HG2 LYS 44 HG2 LYS 44 -9.451 22.589 -22.572 320 HG3 LYS 44 HG1 LYS 44 -7.988 22.378 -23.527 321 HD2 LYS 44 HD2 LYS 44 -9.847 22.797 -25.028 322 HD3 LYS 44 HD1 LYS 44 -9.304 21.137 -25.245 323 HE2 LYS 44 HE2 LYS 44 -11.228 20.346 -23.893 324 HE3 LYS 44 HE1 LYS 44 -11.772 22.012 -23.688 325 HZ1 LYS 44 HZ1 LYS 44 -11.548 20.523 -26.237 326 HZ2 LYS 44 HZ2 LYS 44 -12.005 22.144 -26.100 327 HZ3 LYS 44 HZ3 LYS 44 -12.974 20.934 -25.431 328 H GLU 45 HN GLU 45 -9.889 18.104 -23.045 329 HA GLU 45 HA GLU 45 -10.081 16.023 -21.011 330 HB2 GLU 45 HB2 GLU 45 -9.983 15.764 -24.052 331 HB3 GLU 45 HB1 GLU 45 -10.498 14.519 -22.912 332 HG2 GLU 45 HG2 GLU 45 -12.414 15.976 -22.255 333 HG3 GLU 45 HG1 GLU 45 -11.907 17.151 -23.470 334 H ARG 46 HN ARG 46 -8.520 14.422 -20.617 335 HA ARG 46 HA ARG 46 -5.795 15.006 -21.470 336 HB2 ARG 46 HB2 ARG 46 -4.983 13.463 -19.819 337 HB3 ARG 46 HB1 ARG 46 -6.211 14.459 -19.067 338 HG2 ARG 46 HG2 ARG 46 -6.663 11.598 -19.990 339 HG3 ARG 46 HG1 ARG 46 -6.192 12.048 -18.353 340 HD2 ARG 46 HD2 ARG 46 -8.285 13.340 -18.114 341 HD3 ARG 46 HD1 ARG 46 -8.760 12.862 -19.748 342 HE ARG 46 HE ARG 46 -8.628 10.495 -18.862 343 HH11 ARG 46 HH11 ARG 46 -9.464 13.172 -16.725 344 HH12 ARG 46 HH12 ARG 46 -10.340 12.164 -15.619 345 HH21 ARG 46 HH21 ARG 46 -9.800 9.197 -17.416 346 HH22 ARG 46 HH22 ARG 46 -10.543 9.907 -16.017 347 H GLU 47 HN GLU 47 -4.968 14.172 -23.249 348 HA GLU 47 HA GLU 47 -6.191 11.880 -24.599 349 HB2 GLU 47 HB2 GLU 47 -5.751 13.892 -25.954 350 HB3 GLU 47 HB1 GLU 47 -4.053 13.869 -25.496 351 HG2 GLU 47 HG2 GLU 47 -3.795 11.692 -26.694 352 HG3 GLU 47 HG1 GLU 47 -5.481 11.803 -27.207 353 H PHE 48 HN PHE 48 -5.106 10.002 -25.058 354 HA PHE 48 HA PHE 48 -2.993 9.164 -23.312 355 HB2 PHE 48 HB2 PHE 48 -4.958 7.761 -24.113 356 HB3 PHE 48 HB1 PHE 48 -4.209 7.703 -25.702 357 HD1 PHE 48 HD1 PHE 48 -2.386 6.141 -26.139 358 HD2 PHE 48 HD2 PHE 48 -3.871 6.642 -22.160 359 HE1 PHE 48 HE1 PHE 48 -1.151 4.146 -25.415 360 HE2 PHE 48 HE2 PHE 48 -2.628 4.649 -21.447 361 HZ PHE 48 HZ PHE 48 -1.273 3.401 -23.071 362 H VAL 49 HN VAL 49 -0.987 9.896 -23.697 363 HA VAL 49 HA VAL 49 0.033 10.476 -26.365 364 HB VAL 49 HB VAL 49 1.329 10.781 -23.615 365 HG11 VAL 49 HG11 VAL 49 3.070 12.176 -24.716 366 HG12 VAL 49 HG12 VAL 49 2.382 11.788 -26.293 367 HG13 VAL 49 HG13 VAL 49 3.105 10.512 -25.312 368 HG21 VAL 49 HG21 VAL 49 0.116 12.887 -25.436 369 HG22 VAL 49 HG22 VAL 49 0.929 13.202 -23.902 370 HG23 VAL 49 HG23 VAL 49 -0.585 12.293 -23.926 371 H ALA 50 HN ALA 50 0.909 8.350 -23.604 372 HA ALA 50 HA ALA 50 2.493 6.639 -25.413 373 HB1 ALA 50 HB1 ALA 50 3.582 7.793 -22.825 374 HB2 ALA 50 HB2 ALA 50 4.048 8.293 -24.452 375 HB3 ALA 50 HB3 ALA 50 4.413 6.659 -23.897 376 H ALA 51 HN ALA 51 3.167 4.625 -24.450 377 HA ALA 51 HA ALA 51 1.529 3.544 -22.272 378 HB1 ALA 51 HB1 ALA 51 0.861 1.590 -23.625 379 HB2 ALA 51 HB2 ALA 51 1.650 2.282 -25.046 380 HB3 ALA 51 HB3 ALA 51 0.247 3.079 -24.342 381 H ILE 52 HN ILE 52 2.845 2.540 -20.994 382 HA ILE 52 HA ILE 52 5.272 1.143 -21.937 383 HB ILE 52 HB ILE 52 4.845 2.728 -19.346 384 HG12 ILE 52 HG12 ILE 52 7.086 3.860 -20.113 385 HG13 ILE 52 HG11 ILE 52 6.730 3.181 -21.693 386 HG21 ILE 52 HG21 ILE 52 5.952 0.647 -18.766 387 HG22 ILE 52 HG22 ILE 52 7.079 1.995 -18.611 388 HG23 ILE 52 HG23 ILE 52 7.179 0.922 -20.005 389 HD11 ILE 52 HD11 ILE 52 5.013 5.140 -20.176 390 HD12 ILE 52 HD12 ILE 52 4.668 4.485 -21.778 391 HD13 ILE 52 HD13 ILE 52 6.081 5.507 -21.530 392 H ARG 53 HN ARG 53 4.811 -1.045 -21.745 393 HA ARG 53 HA ARG 53 3.169 -1.923 -19.435 394 HB2 ARG 53 HB2 ARG 53 2.801 -4.043 -20.709 395 HB3 ARG 53 HB1 ARG 53 2.150 -2.611 -21.495 396 HG2 ARG 53 HG2 ARG 53 4.154 -2.600 -23.011 397 HG3 ARG 53 HG1 ARG 53 4.675 -4.114 -22.268 398 HD2 ARG 53 HD2 ARG 53 3.517 -4.530 -24.388 399 HD3 ARG 53 HD1 ARG 53 2.592 -5.204 -23.041 400 HE ARG 53 HE ARG 53 1.952 -2.594 -24.302 401 HH11 ARG 53 HH11 ARG 53 0.816 -5.678 -23.036 402 HH12 ARG 53 HH12 ARG 53 -0.852 -5.309 -23.338 403 HH21 ARG 53 HH21 ARG 53 -0.215 -2.132 -24.678 404 HH22 ARG 53 HH22 ARG 53 -1.433 -3.295 -24.262 405 H TRP 54 HN TRP 54 4.702 -1.848 -17.919 406 HA TRP 54 HA TRP 54 6.177 -2.601 -16.431 407 HB2 TRP 54 HB2 TRP 54 4.992 -4.782 -16.907 408 HB3 TRP 54 HB1 TRP 54 6.279 -5.188 -18.037 409 HD1 TRP 54 HD1 TRP 54 8.514 -6.180 -16.995 410 HE1 TRP 54 HE1 TRP 54 9.224 -6.850 -14.619 411 HE3 TRP 54 HE3 TRP 54 4.693 -4.023 -14.369 412 HZ2 TRP 54 HZ2 TRP 54 8.297 -6.517 -11.982 413 HZ3 TRP 54 HZ3 TRP 54 4.675 -4.239 -11.914 414 HH2 TRP 54 HH2 TRP 54 6.448 -5.464 -10.745 415 H SER 55 HN SER 55 7.553 -4.311 -19.252 416 HA SER 55 HA SER 55 9.613 -2.389 -19.757 417 HB2 SER 55 HB2 SER 55 11.537 -3.965 -19.239 418 HB3 SER 55 HB1 SER 55 10.689 -3.397 -17.802 419 HG SER 55 HG SER 55 10.687 -5.481 -17.414 420 H GLY 56 HN GLY 56 10.577 -2.746 -21.779 421 HA2 GLY 56 HA2 GLY 56 11.198 -3.903 -23.706 422 HA3 GLY 56 HA1 GLY 56 10.278 -5.300 -23.175 423 H GLY 57 HN GLY 57 7.893 -3.379 -22.726 424 HA2 GLY 57 HA2 GLY 57 7.138 -2.840 -25.567 425 HA3 GLY 57 HA1 GLY 57 6.003 -3.429 -24.349 426 H SER 58 HN SER 58 8.520 -0.963 -24.166 427 HA SER 58 HA SER 58 6.608 0.946 -22.980 428 HB2 SER 58 HB2 SER 58 9.649 0.924 -22.868 429 HB3 SER 58 HB1 SER 58 8.566 1.944 -21.917 430 HG SER 58 HG SER 58 7.886 -0.631 -21.587 431 H THR 59 HN THR 59 5.991 1.095 -25.459 432 HA THR 59 HA THR 59 7.345 3.416 -26.621 433 HB THR 59 HB THR 59 7.314 2.233 -28.931 434 HG1 THR 59 HG1 THR 59 6.223 0.297 -27.587 435 HG21 THR 59 HG21 THR 59 9.330 1.182 -26.917 436 HG22 THR 59 HG22 THR 59 9.461 2.700 -27.808 437 HG23 THR 59 HG23 THR 59 9.516 1.160 -28.672 438 H TYR 60 HN TYR 60 5.716 4.779 -27.011 439 HA TYR 60 HA TYR 60 3.674 4.195 -28.850 440 HB2 TYR 60 HB2 TYR 60 2.788 3.248 -26.559 441 HB3 TYR 60 HB1 TYR 60 2.568 4.930 -26.118 442 HD1 TYR 60 HD1 TYR 60 1.290 2.137 -28.052 443 HD2 TYR 60 HD2 TYR 60 0.892 6.343 -27.390 444 HE1 TYR 60 HE1 TYR 60 -0.912 2.121 -29.187 445 HE2 TYR 60 HE2 TYR 60 -1.293 6.332 -28.523 446 HH TYR 60 HH TYR 60 -2.514 4.950 -30.179 447 H TYR 61 HN TYR 61 3.281 6.032 -29.876 448 HA TYR 61 HA TYR 61 2.991 8.593 -28.599 449 HB2 TYR 61 HB2 TYR 61 4.695 9.676 -30.273 450 HB3 TYR 61 HB1 TYR 61 5.344 8.899 -28.840 451 HD1 TYR 61 HD1 TYR 61 6.723 6.886 -29.015 452 HD2 TYR 61 HD2 TYR 61 4.994 8.578 -32.540 453 HE1 TYR 61 HE1 TYR 61 8.127 5.427 -30.406 454 HE2 TYR 61 HE2 TYR 61 6.405 7.124 -33.926 455 HH TYR 61 HH TYR 61 8.500 5.877 -33.763 456 H ALA 62 HN ALA 62 1.525 9.793 -29.779 457 HA ALA 62 HA ALA 62 -0.057 8.511 -31.732 458 HB1 ALA 62 HB1 ALA 62 -1.249 10.659 -31.924 459 HB2 ALA 62 HB2 ALA 62 0.058 11.475 -31.058 460 HB3 ALA 62 HB3 ALA 62 -0.929 10.262 -30.236 461 H ASP 63 HN ASP 63 -0.376 9.017 -34.004 462 HA ASP 63 HA ASP 63 2.086 9.220 -35.410 463 HB2 ASP 63 HB2 ASP 63 0.121 7.882 -36.192 464 HB3 ASP 63 HB1 ASP 63 -0.723 9.381 -36.562 465 H SER 64 HN SER 64 -0.159 11.647 -34.386 466 HA SER 64 HA SER 64 0.596 13.759 -36.170 467 HB2 SER 64 HB2 SER 64 -0.557 13.964 -33.359 468 HB3 SER 64 HB1 SER 64 -0.637 15.189 -34.635 469 HG SER 64 HG SER 64 -1.905 13.723 -35.852 470 H VAL 65 HN VAL 65 1.812 12.541 -33.092 471 HA VAL 65 HA VAL 65 3.922 14.624 -32.976 472 HB VAL 65 HB VAL 65 4.198 14.042 -30.596 473 HG11 VAL 65 HG11 VAL 65 2.565 15.801 -31.151 474 HG12 VAL 65 HG12 VAL 65 2.056 14.909 -29.717 475 HG13 VAL 65 HG13 VAL 65 1.285 14.591 -31.274 476 HG21 VAL 65 HG21 VAL 65 1.944 12.041 -30.997 477 HG22 VAL 65 HG22 VAL 65 2.645 12.486 -29.438 478 HG23 VAL 65 HG23 VAL 65 3.630 11.655 -30.643 479 H LYS 66 HN LYS 66 3.725 11.980 -34.552 480 HA LYS 66 HA LYS 66 5.541 10.067 -33.515 481 HB2 LYS 66 HB2 LYS 66 3.823 9.467 -35.140 482 HB3 LYS 66 HB1 LYS 66 4.482 10.569 -36.329 483 HG2 LYS 66 HG2 LYS 66 6.182 8.268 -35.375 484 HG3 LYS 66 HG1 LYS 66 4.864 7.941 -36.499 485 HD2 LYS 66 HD2 LYS 66 7.217 9.823 -36.977 486 HD3 LYS 66 HD1 LYS 66 6.987 8.233 -37.711 487 HE2 LYS 66 HE2 LYS 66 5.227 10.681 -38.141 488 HE3 LYS 66 HE1 LYS 66 6.402 10.031 -39.286 489 HZ1 LYS 66 HZ1 LYS 66 4.187 9.333 -39.876 490 HZ2 LYS 66 HZ2 LYS 66 3.932 8.664 -38.344 491 HZ3 LYS 66 HZ3 LYS 66 5.075 7.983 -39.389 492 H GLY 67 HN GLY 67 7.679 10.226 -33.345 493 HA2 GLY 67 HA2 GLY 67 9.849 10.335 -34.237 494 HA3 GLY 67 HA1 GLY 67 9.299 11.456 -35.468 495 H ARG 68 HN ARG 68 7.893 13.113 -33.350 496 HA ARG 68 HA ARG 68 10.263 14.605 -32.448 497 HB2 ARG 68 HB2 ARG 68 8.951 16.544 -32.368 498 HB3 ARG 68 HB1 ARG 68 8.296 15.691 -33.755 499 HG2 ARG 68 HG2 ARG 68 6.381 14.930 -32.388 500 HG3 ARG 68 HG1 ARG 68 7.057 15.758 -30.988 501 HD2 ARG 68 HD2 ARG 68 6.957 17.873 -32.647 502 HD3 ARG 68 HD1 ARG 68 5.687 16.902 -33.404 503 HE ARG 68 HE ARG 68 5.633 17.575 -30.521 504 HH11 ARG 68 HH11 ARG 68 3.995 17.538 -33.632 505 HH12 ARG 68 HH12 ARG 68 2.538 18.237 -33.002 506 HH21 ARG 68 HH21 ARG 68 3.722 18.474 -29.706 507 HH22 ARG 68 HH22 ARG 68 2.390 18.768 -30.769 508 H PHE 69 HN PHE 69 7.527 12.770 -31.191 509 HA PHE 69 HA PHE 69 8.404 13.228 -28.406 510 HB2 PHE 69 HB2 PHE 69 5.886 12.031 -29.611 511 HB3 PHE 69 HB1 PHE 69 6.323 11.668 -27.946 512 HD1 PHE 69 HD1 PHE 69 6.853 15.009 -29.512 513 HD2 PHE 69 HD2 PHE 69 4.373 12.659 -26.947 514 HE1 PHE 69 HE1 PHE 69 5.660 17.032 -28.805 515 HE2 PHE 69 HE2 PHE 69 3.196 14.691 -26.234 516 HZ PHE 69 HZ PHE 69 3.835 16.879 -27.159 517 H THR 70 HN THR 70 9.489 11.735 -27.341 518 HA THR 70 HA THR 70 9.676 8.943 -28.229 519 HB THR 70 HB THR 70 12.073 10.720 -27.531 520 HG1 THR 70 HG1 THR 70 10.837 10.061 -29.881 521 HG21 THR 70 HG21 THR 70 12.418 8.390 -26.731 522 HG22 THR 70 HG22 THR 70 13.478 8.763 -28.094 523 HG23 THR 70 HG23 THR 70 12.032 7.787 -28.346 524 H ILE 71 HN ILE 71 9.992 7.510 -26.476 525 HA ILE 71 HA ILE 71 9.881 8.645 -23.750 526 HB ILE 71 HB ILE 71 8.292 6.880 -23.025 527 HG12 ILE 71 HG12 ILE 71 8.709 5.227 -24.891 528 HG13 ILE 71 HG11 ILE 71 7.012 5.493 -24.538 529 HG21 ILE 71 HG21 ILE 71 6.244 7.885 -23.928 530 HG22 ILE 71 HG22 ILE 71 7.186 8.679 -25.192 531 HG23 ILE 71 HG23 ILE 71 7.448 9.096 -23.496 532 HD11 ILE 71 HD11 ILE 71 6.777 6.845 -26.527 533 HD12 ILE 71 HD12 ILE 71 7.472 5.274 -26.918 534 HD13 ILE 71 HD13 ILE 71 8.503 6.698 -26.864 535 H SER 72 HN SER 72 10.514 7.158 -22.097 536 HA SER 72 HA SER 72 11.952 4.730 -22.751 537 HB2 SER 72 HB2 SER 72 13.653 6.507 -23.220 538 HB3 SER 72 HB1 SER 72 13.430 7.151 -21.594 539 HG SER 72 HG SER 72 14.692 5.644 -20.846 540 H ARG 73 HN ARG 73 11.877 3.379 -20.977 541 HA ARG 73 HA ARG 73 11.316 4.561 -18.314 542 HB2 ARG 73 HB2 ARG 73 9.528 3.008 -19.072 543 HB3 ARG 73 HB1 ARG 73 10.723 1.730 -19.284 544 HG2 ARG 73 HG2 ARG 73 11.226 1.878 -16.807 545 HG3 ARG 73 HG1 ARG 73 9.901 3.036 -16.662 546 HD2 ARG 73 HD2 ARG 73 8.343 1.323 -17.526 547 HD3 ARG 73 HD1 ARG 73 9.666 0.167 -17.608 548 HE ARG 73 HE ARG 73 9.689 0.025 -15.269 549 HH11 ARG 73 HH11 ARG 73 7.190 2.260 -16.325 550 HH12 ARG 73 HH12 ARG 73 6.299 2.165 -14.844 551 HH21 ARG 73 HH21 ARG 73 8.487 -0.119 -13.328 552 HH22 ARG 73 HH22 ARG 73 7.028 0.797 -13.144 553 H ASP 74 HN ASP 74 13.021 4.525 -17.030 554 HA ASP 74 HA ASP 74 15.332 2.775 -17.611 555 HB2 ASP 74 HB2 ASP 74 15.105 5.450 -16.154 556 HB3 ASP 74 HB1 ASP 74 16.571 4.473 -16.156 557 H ASN 75 HN ASN 75 15.193 0.997 -16.459 558 HA ASN 75 HA ASN 75 13.813 0.551 -14.047 559 HB2 ASN 75 HB2 ASN 75 14.381 -1.281 -15.588 560 HB3 ASN 75 HB1 ASN 75 16.100 -1.015 -15.333 561 HD21 ASN 75 HD21 ASN 75 13.153 -2.245 -13.950 562 HD22 ASN 75 HD22 ASN 75 13.876 -3.150 -12.667 563 H ALA 76 HN ALA 76 17.094 1.577 -14.709 564 HA ALA 76 HA ALA 76 18.470 0.915 -12.402 565 HB1 ALA 76 HB1 ALA 76 20.087 2.631 -13.062 566 HB2 ALA 76 HB2 ALA 76 18.892 3.363 -14.139 567 HB3 ALA 76 HB3 ALA 76 19.506 1.742 -14.472 568 H LYS 77 HN LYS 77 16.626 3.905 -13.027 569 HA LYS 77 HA LYS 77 16.647 4.485 -10.122 570 HB2 LYS 77 HB2 LYS 77 16.354 6.927 -10.740 571 HB3 LYS 77 HB1 LYS 77 17.939 6.240 -11.040 572 HG2 LYS 77 HG2 LYS 77 15.901 6.509 -13.269 573 HG3 LYS 77 HG1 LYS 77 16.933 7.859 -12.787 574 HD2 LYS 77 HD2 LYS 77 18.938 6.325 -13.186 575 HD3 LYS 77 HD1 LYS 77 17.812 5.163 -13.895 576 HE2 LYS 77 HE2 LYS 77 18.872 6.456 -15.667 577 HE3 LYS 77 HE1 LYS 77 17.163 6.874 -15.584 578 HZ1 LYS 77 HZ1 LYS 77 18.552 8.821 -15.860 579 HZ2 LYS 77 HZ2 LYS 77 19.378 8.479 -14.428 580 HZ3 LYS 77 HZ3 LYS 77 17.736 8.878 -14.382 581 H ASN 78 HN ASN 78 14.733 3.175 -12.290 582 HA ASN 78 HA ASN 78 12.518 2.913 -12.688 583 HB2 ASN 78 HB2 ASN 78 12.414 3.774 -9.771 584 HB3 ASN 78 HB1 ASN 78 11.028 3.107 -10.623 585 HD21 ASN 78 HD21 ASN 78 10.966 0.901 -11.063 586 HD22 ASN 78 HD22 ASN 78 12.108 -0.212 -10.402 587 H THR 79 HN THR 79 13.476 5.309 -13.664 588 HA THR 79 HA THR 79 11.262 7.242 -13.245 589 HB THR 79 HB THR 79 14.106 7.830 -14.195 590 HG1 THR 79 HG1 THR 79 13.222 7.359 -11.744 591 HG21 THR 79 HG21 THR 79 11.876 9.741 -13.393 592 HG22 THR 79 HG22 THR 79 12.459 9.482 -15.041 593 HG23 THR 79 HG23 THR 79 13.524 10.204 -13.829 594 H VAL 80 HN VAL 80 10.030 7.725 -14.973 595 HA VAL 80 HA VAL 80 10.667 6.550 -17.607 596 HB VAL 80 HB VAL 80 7.958 7.518 -16.590 597 HG11 VAL 80 HG11 VAL 80 8.679 5.849 -19.034 598 HG12 VAL 80 HG12 VAL 80 8.098 7.515 -19.050 599 HG13 VAL 80 HG13 VAL 80 7.034 6.214 -18.511 600 HG21 VAL 80 HG21 VAL 80 8.692 5.615 -15.211 601 HG22 VAL 80 HG22 VAL 80 9.024 4.671 -16.665 602 HG23 VAL 80 HG23 VAL 80 7.366 5.125 -16.272 603 H TYR 81 HN TYR 81 11.286 7.960 -19.146 604 HA TYR 81 HA TYR 81 10.904 10.848 -18.773 605 HB2 TYR 81 HB2 TYR 81 12.814 9.339 -20.607 606 HB3 TYR 81 HB1 TYR 81 12.751 11.089 -20.409 607 HD1 TYR 81 HD1 TYR 81 13.974 12.159 -18.670 608 HD2 TYR 81 HD2 TYR 81 13.479 7.919 -18.561 609 HE1 TYR 81 HE1 TYR 81 15.593 12.018 -16.837 610 HE2 TYR 81 HE2 TYR 81 15.090 7.777 -16.713 611 HH TYR 81 HH TYR 81 16.186 10.566 -15.026 612 H LEU 82 HN LEU 82 10.175 12.172 -20.450 613 HA LEU 82 HA LEU 82 9.179 10.959 -22.955 614 HB2 LEU 82 HB2 LEU 82 7.221 11.337 -21.543 615 HB3 LEU 82 HB1 LEU 82 7.753 12.959 -21.156 616 HG LEU 82 HG LEU 82 7.324 13.660 -23.508 617 HD11 LEU 82 HD11 LEU 82 6.191 10.883 -23.920 618 HD12 LEU 82 HD12 LEU 82 7.661 11.526 -24.659 619 HD13 LEU 82 HD13 LEU 82 6.097 12.231 -25.060 620 HD21 LEU 82 HD21 LEU 82 4.873 13.645 -23.397 621 HD22 LEU 82 HD22 LEU 82 5.587 13.999 -21.825 622 HD23 LEU 82 HD23 LEU 82 4.928 12.393 -22.152 623 H GLN 83 HN GLN 83 10.919 11.701 -24.155 624 HA GLN 83 HA GLN 83 11.805 14.455 -24.089 625 HB2 GLN 83 HB2 GLN 83 13.453 12.703 -24.592 626 HB3 GLN 83 HB1 GLN 83 12.508 12.161 -25.969 627 HG2 GLN 83 HG2 GLN 83 14.453 13.439 -26.707 628 HG3 GLN 83 HG1 GLN 83 12.968 14.269 -27.149 629 HE21 GLN 83 HE21 GLN 83 12.469 16.246 -26.170 630 HE22 GLN 83 HE22 GLN 83 13.611 17.147 -25.240 631 H MET 84 HN MET 84 10.177 15.806 -24.700 632 HA MET 84 HA MET 84 8.785 15.432 -27.258 633 HB2 MET 84 HB2 MET 84 8.574 17.757 -25.291 634 HB3 MET 84 HB1 MET 84 7.498 17.410 -26.640 635 HG2 MET 84 HG2 MET 84 6.897 15.253 -25.466 636 HG3 MET 84 HG1 MET 84 7.767 15.872 -24.056 637 HE1 MET 84 HE1 MET 84 5.603 19.230 -23.466 638 HE2 MET 84 HE2 MET 84 6.917 19.146 -24.638 639 HE3 MET 84 HE3 MET 84 7.110 18.423 -23.039 640 H ASN 85 HN ASN 85 9.355 16.552 -29.089 641 HA ASN 85 HA ASN 85 11.229 18.836 -28.945 642 HB2 ASN 85 HB2 ASN 85 12.521 16.699 -29.464 643 HB3 ASN 85 HB1 ASN 85 11.527 16.497 -30.901 644 HD21 ASN 85 HD21 ASN 85 13.223 16.666 -32.359 645 HD22 ASN 85 HD22 ASN 85 14.118 18.124 -32.617 646 H SER 86 HN SER 86 11.257 19.990 -31.124 647 HA SER 86 HA SER 86 10.288 21.023 -32.875 648 HB2 SER 86 HB2 SER 86 10.534 18.712 -33.856 649 HB3 SER 86 HB1 SER 86 8.893 18.350 -33.333 650 HG SER 86 HG SER 86 9.422 20.563 -34.994 651 H LEU 87 HN LEU 87 9.111 21.373 -30.367 652 HA LEU 87 HA LEU 87 6.272 21.039 -30.343 653 HB2 LEU 87 HB2 LEU 87 8.122 22.665 -28.559 654 HB3 LEU 87 HB1 LEU 87 6.419 22.375 -28.223 655 HG LEU 87 HG LEU 87 8.537 20.186 -28.418 656 HD11 LEU 87 HD11 LEU 87 7.267 21.371 -25.933 657 HD12 LEU 87 HD12 LEU 87 8.941 21.580 -26.456 658 HD13 LEU 87 HD13 LEU 87 8.361 19.984 -25.989 659 HD21 LEU 87 HD21 LEU 87 6.795 18.706 -27.499 660 HD22 LEU 87 HD22 LEU 87 6.308 19.383 -29.049 661 HD23 LEU 87 HD23 LEU 87 5.625 20.028 -27.554 662 H LYS 88 HN LYS 88 4.718 22.747 -30.131 663 HA LYS 88 HA LYS 88 5.317 25.301 -31.470 664 HB2 LYS 88 HB2 LYS 88 3.081 25.090 -32.689 665 HB3 LYS 88 HB1 LYS 88 4.371 24.059 -33.290 666 HG2 LYS 88 HG2 LYS 88 2.238 23.067 -31.384 667 HG3 LYS 88 HG1 LYS 88 2.024 23.045 -33.132 668 HD2 LYS 88 HD2 LYS 88 4.287 21.613 -31.673 669 HD3 LYS 88 HD1 LYS 88 2.760 20.860 -32.089 670 HE2 LYS 88 HE2 LYS 88 4.347 20.201 -33.747 671 HE3 LYS 88 HE1 LYS 88 3.263 21.355 -34.510 672 HZ1 LYS 88 HZ1 LYS 88 4.937 23.043 -34.319 673 HZ2 LYS 88 HZ2 LYS 88 5.596 21.683 -35.078 674 HZ3 LYS 88 HZ3 LYS 88 5.953 22.005 -33.460 675 HA PRO 89 HA PRO 89 3.479 27.380 -28.181 676 HB2 PRO 89 HB2 PRO 89 1.397 28.986 -29.247 677 HB3 PRO 89 HB1 PRO 89 3.114 29.407 -29.208 678 HG2 PRO 89 HG2 PRO 89 1.497 28.181 -31.427 679 HG3 PRO 89 HG1 PRO 89 2.751 29.436 -31.518 680 HD2 PRO 89 HD2 PRO 89 3.309 26.927 -32.216 681 HD3 PRO 89 HD1 PRO 89 4.498 27.874 -31.295 682 H GLU 90 HN GLU 90 1.096 25.615 -30.095 683 HA GLU 90 HA GLU 90 -1.111 25.737 -28.316 684 HB2 GLU 90 HB2 GLU 90 -2.098 23.954 -29.611 685 HB3 GLU 90 HB1 GLU 90 -1.270 25.053 -30.710 686 HG2 GLU 90 HG2 GLU 90 0.636 23.492 -30.833 687 HG3 GLU 90 HG1 GLU 90 -0.197 22.380 -29.752 688 H ASP 91 HN ASP 91 1.824 23.914 -28.110 689 HA ASP 91 HA ASP 91 0.829 21.856 -26.320 690 HB2 ASP 91 HB2 ASP 91 3.680 22.608 -27.094 691 HB3 ASP 91 HB1 ASP 91 3.253 21.207 -26.123 692 H THR 92 HN THR 92 0.598 24.800 -25.572 693 HA THR 92 HA THR 92 1.908 24.856 -22.992 694 HB THR 92 HB THR 92 -0.339 26.567 -24.150 695 HG1 THR 92 HG1 THR 92 1.741 26.758 -25.153 696 HG21 THR 92 HG21 THR 92 0.147 28.160 -22.313 697 HG22 THR 92 HG22 THR 92 1.279 27.003 -21.608 698 HG23 THR 92 HG23 THR 92 -0.442 26.619 -21.682 699 H ALA 93 HN ALA 93 1.311 23.028 -21.879 700 HA ALA 93 HA ALA 93 -1.404 22.661 -20.927 701 HB1 ALA 93 HB1 ALA 93 -1.692 20.397 -21.894 702 HB2 ALA 93 HB2 ALA 93 -0.180 20.580 -22.789 703 HB3 ALA 93 HB3 ALA 93 -1.558 21.617 -23.162 704 H VAL 94 HN VAL 94 -1.505 20.751 -19.414 705 HA VAL 94 HA VAL 94 1.047 20.231 -18.087 706 HB VAL 94 HB VAL 94 -0.775 20.960 -16.634 707 HG11 VAL 94 HG11 VAL 94 -2.809 19.621 -16.212 708 HG12 VAL 94 HG12 VAL 94 -2.336 18.499 -17.490 709 HG13 VAL 94 HG13 VAL 94 -2.737 20.169 -17.891 710 HG21 VAL 94 HG21 VAL 94 -0.121 18.041 -16.138 711 HG22 VAL 94 HG22 VAL 94 -0.690 19.192 -14.925 712 HG23 VAL 94 HG23 VAL 94 0.887 19.417 -15.686 713 H TYR 95 HN TYR 95 2.169 18.482 -18.632 714 HA TYR 95 HA TYR 95 0.874 16.082 -19.695 715 HB2 TYR 95 HB2 TYR 95 3.744 17.052 -19.619 716 HB3 TYR 95 HB1 TYR 95 3.397 15.348 -19.872 717 HD1 TYR 95 HD1 TYR 95 3.040 14.569 -22.086 718 HD2 TYR 95 HD2 TYR 95 2.467 18.721 -21.249 719 HE1 TYR 95 HE1 TYR 95 2.653 14.997 -24.472 720 HE2 TYR 95 HE2 TYR 95 2.082 19.146 -23.637 721 HH TYR 95 HH TYR 95 2.617 18.099 -25.816 722 H LEU 96 HN LEU 96 0.513 14.383 -18.460 723 HA LEU 96 HA LEU 96 1.751 14.143 -15.788 724 HB2 LEU 96 HB2 LEU 96 -0.419 13.441 -14.850 725 HB3 LEU 96 HB1 LEU 96 -0.479 15.086 -15.444 726 HG LEU 96 HG LEU 96 -1.561 12.798 -17.141 727 HD11 LEU 96 HD11 LEU 96 -3.802 13.199 -16.242 728 HD12 LEU 96 HD12 LEU 96 -3.140 14.330 -15.057 729 HD13 LEU 96 HD13 LEU 96 -2.705 12.620 -14.989 730 HD21 LEU 96 HD21 LEU 96 -2.959 14.558 -18.157 731 HD22 LEU 96 HD22 LEU 96 -1.247 14.957 -18.287 732 HD23 LEU 96 HD23 LEU 96 -2.247 15.763 -17.076 733 H CYS 97 HN CYS 97 2.192 12.079 -15.152 734 HA CYS 97 HA CYS 97 1.882 9.887 -17.062 735 HB2 CYS 97 HB2 CYS 97 4.101 10.254 -16.020 736 HB3 CYS 97 HB1 CYS 97 3.397 10.026 -14.424 737 HG CYS 97 HG CYS 97 4.318 7.627 -14.488 738 H ALA 98 HN ALA 98 1.065 7.829 -16.266 739 HA ALA 98 HA ALA 98 -0.813 7.954 -13.996 740 HB1 ALA 98 HB1 ALA 98 -2.133 8.524 -15.999 741 HB2 ALA 98 HB2 ALA 98 -2.601 6.946 -15.365 742 HB3 ALA 98 HB3 ALA 98 -1.578 7.050 -16.802 743 H ALA 99 HN ALA 99 -1.230 5.906 -13.080 744 HA ALA 99 HA ALA 99 0.398 3.629 -14.064 745 HB1 ALA 99 HB1 ALA 99 1.090 4.425 -11.831 746 HB2 ALA 99 HB2 ALA 99 0.393 2.806 -11.741 747 HB3 ALA 99 HB3 ALA 99 -0.557 4.203 -11.233 748 H GLY 100 HN GLY 100 -0.692 1.764 -14.534 749 HA2 GLY 100 HA2 GLY 100 -3.654 1.803 -14.364 750 HA3 GLY 100 HA1 GLY 100 -2.762 1.300 -15.789 751 H VAL 101 HN VAL 101 -4.486 -0.393 -15.110 752 HA VAL 101 HA VAL 101 -3.034 -2.657 -13.962 753 HB VAL 101 HB VAL 101 -4.328 -1.921 -12.053 754 HG11 VAL 101 HG11 VAL 101 -6.826 -1.983 -13.781 755 HG12 VAL 101 HG12 VAL 101 -6.027 -0.539 -13.154 756 HG13 VAL 101 HG13 VAL 101 -6.784 -1.680 -12.039 757 HG21 VAL 101 HG21 VAL 101 -5.709 -3.937 -11.596 758 HG22 VAL 101 HG22 VAL 101 -4.167 -4.349 -12.351 759 HG23 VAL 101 HG23 VAL 101 -5.647 -4.357 -13.312 760 H TRP 102 HN TRP 102 -3.027 -4.198 -15.412 761 HA TRP 102 HA TRP 102 -4.533 -3.915 -17.849 762 HB2 TRP 102 HB2 TRP 102 -2.060 -4.517 -17.768 763 HB3 TRP 102 HB1 TRP 102 -2.520 -6.103 -17.165 764 HD1 TRP 102 HD1 TRP 102 -3.342 -3.892 -20.265 765 HE1 TRP 102 HE1 TRP 102 -3.537 -5.429 -22.304 766 HE3 TRP 102 HE3 TRP 102 -2.570 -8.404 -17.972 767 HZ2 TRP 102 HZ2 TRP 102 -3.402 -8.178 -22.889 768 HZ3 TRP 102 HZ3 TRP 102 -2.613 -10.446 -19.353 769 HH2 TRP 102 HH2 TRP 102 -3.018 -10.332 -21.764 770 H ARG 103 HN ARG 103 -5.924 -5.396 -18.713 771 HA ARG 103 HA ARG 103 -7.421 -7.025 -16.758 772 HB2 ARG 103 HB2 ARG 103 -8.393 -5.752 -19.366 773 HB3 ARG 103 HB1 ARG 103 -9.395 -6.560 -18.158 774 HG2 ARG 103 HG2 ARG 103 -7.918 -3.917 -17.832 775 HG3 ARG 103 HG1 ARG 103 -9.665 -4.151 -17.967 776 HD2 ARG 103 HD2 ARG 103 -9.647 -5.413 -15.839 777 HD3 ARG 103 HD1 ARG 103 -7.907 -5.145 -15.696 778 HE ARG 103 HE ARG 103 -8.978 -2.625 -15.926 779 HH11 ARG 103 HH11 ARG 103 -9.453 -5.280 -13.674 780 HH12 ARG 103 HH12 ARG 103 -9.844 -4.241 -12.345 781 HH21 ARG 103 HH21 ARG 103 -9.500 -1.272 -14.191 782 HH22 ARG 103 HH22 ARG 103 -9.890 -1.948 -12.639 783 H SER 104 HN SER 104 -8.273 -9.020 -17.422 784 HA SER 104 HA SER 104 -6.737 -10.624 -19.182 785 HB2 SER 104 HB2 SER 104 -7.964 -11.523 -17.191 786 HB3 SER 104 HB1 SER 104 -9.494 -11.216 -18.012 787 HG SER 104 HG SER 104 -8.290 -12.612 -19.743 788 H SER 105 HN SER 105 -9.505 -8.574 -19.683 789 HA SER 105 HA SER 105 -10.442 -9.599 -22.178 790 HB2 SER 105 HB2 SER 105 -11.512 -7.335 -22.382 791 HB3 SER 105 HB1 SER 105 -11.797 -8.069 -20.801 792 HG SER 105 HG SER 105 -11.118 -5.813 -20.797 793 H GLY 106 HN GLY 106 -7.736 -7.536 -21.233 794 HA2 GLY 106 HA2 GLY 106 -5.775 -7.695 -22.708 795 HA3 GLY 106 HA1 GLY 106 -6.846 -7.495 -24.084 796 H TRP 107 HN TRP 107 -8.162 -5.425 -22.049 797 HA TRP 107 HA TRP 107 -6.696 -3.087 -23.037 798 HB2 TRP 107 HB2 TRP 107 -9.321 -3.370 -21.504 799 HB3 TRP 107 HB1 TRP 107 -8.625 -1.822 -21.959 800 HD1 TRP 107 HD1 TRP 107 -9.707 -5.082 -23.843 801 HE1 TRP 107 HE1 TRP 107 -10.787 -4.380 -26.063 802 HE3 TRP 107 HE3 TRP 107 -9.143 0.001 -23.477 803 HZ2 TRP 107 HZ2 TRP 107 -11.358 -2.018 -27.475 804 HZ3 TRP 107 HZ3 TRP 107 -9.993 1.410 -25.313 805 HH2 TRP 107 HH2 TRP 107 -11.079 0.420 -27.275 806 H ASP 108 HN ASP 108 -6.036 -1.375 -21.558 807 HA ASP 108 HA ASP 108 -5.538 -2.233 -18.757 808 HB2 ASP 108 HB2 ASP 108 -3.425 -1.905 -20.079 809 HB3 ASP 108 HB1 ASP 108 -3.897 -0.242 -20.401 810 H THR 109 HN THR 109 -6.129 -0.816 -17.143 811 HA THR 109 HA THR 109 -7.650 1.598 -17.939 812 HB THR 109 HB THR 109 -8.951 1.205 -15.780 813 HG1 THR 109 HG1 THR 109 -7.153 -0.534 -15.252 814 HG21 THR 109 HG21 THR 109 -9.173 -0.968 -17.896 815 HG22 THR 109 HG22 THR 109 -9.941 0.622 -17.965 816 HG23 THR 109 HG23 THR 109 -10.421 -0.539 -16.725 817 HA PRO 110 HA PRO 110 -4.283 3.494 -15.433 818 HB2 PRO 110 HB2 PRO 110 -4.828 6.102 -16.115 819 HB3 PRO 110 HB1 PRO 110 -3.914 5.008 -17.168 820 HG2 PRO 110 HG2 PRO 110 -6.848 5.726 -17.271 821 HG3 PRO 110 HG1 PRO 110 -5.678 5.643 -18.608 822 HD2 PRO 110 HD2 PRO 110 -7.413 3.616 -18.120 823 HD3 PRO 110 HD1 PRO 110 -5.767 3.297 -18.707 824 H ASP 111 HN ASP 111 -5.178 2.908 -13.467 825 HA ASP 111 HA ASP 111 -7.624 4.109 -12.452 826 HB2 ASP 111 HB2 ASP 111 -7.070 1.683 -12.134 827 HB3 ASP 111 HB1 ASP 111 -5.712 2.146 -11.115 828 H TYR 112 HN TYR 112 -4.246 4.655 -12.217 829 HA TYR 112 HA TYR 112 -4.574 6.629 -10.022 830 HB2 TYR 112 HB2 TYR 112 -1.978 5.137 -10.643 831 HB3 TYR 112 HB1 TYR 112 -2.352 6.099 -9.216 832 HD1 TYR 112 HD1 TYR 112 -2.600 2.812 -10.765 833 HD2 TYR 112 HD2 TYR 112 -3.956 5.177 -7.473 834 HE1 TYR 112 HE1 TYR 112 -3.416 0.791 -9.648 835 HE2 TYR 112 HE2 TYR 112 -4.764 3.148 -6.351 836 HH TYR 112 HH TYR 112 -5.480 0.910 -6.926 837 H TRP 113 HN TRP 113 -3.559 8.596 -10.359 838 HA TRP 113 HA TRP 113 -1.977 9.035 -12.825 839 HB2 TRP 113 HB2 TRP 113 -4.158 10.848 -11.680 840 HB3 TRP 113 HB1 TRP 113 -3.030 11.351 -12.934 841 HD1 TRP 113 HD1 TRP 113 -3.404 10.355 -15.410 842 HE1 TRP 113 HE1 TRP 113 -5.441 9.268 -16.537 843 HE3 TRP 113 HE3 TRP 113 -6.192 9.300 -11.240 844 HZ2 TRP 113 HZ2 TRP 113 -7.900 8.122 -15.788 845 HZ3 TRP 113 HZ3 TRP 113 -8.387 8.212 -11.535 846 HH2 TRP 113 HH2 TRP 113 -9.222 7.638 -13.766 847 H GLY 114 HN GLY 114 -0.585 10.962 -12.640 848 HA2 GLY 114 HA2 GLY 114 0.793 10.932 -10.071 849 HA3 GLY 114 HA1 GLY 114 1.361 11.620 -11.584 850 H GLN 115 HN GLN 115 1.973 13.569 -10.827 851 HA GLN 115 HA GLN 115 0.001 15.260 -9.394 852 HB2 GLN 115 HB2 GLN 115 1.902 16.638 -8.712 853 HB3 GLN 115 HB1 GLN 115 2.210 14.957 -8.295 854 HG2 GLN 115 HG2 GLN 115 3.658 14.768 -10.328 855 HG3 GLN 115 HG1 GLN 115 3.403 16.485 -10.633 856 HE21 GLN 115 HE21 GLN 115 3.890 14.957 -7.483 857 HE22 GLN 115 HE22 GLN 115 5.404 15.710 -7.150 858 H GLY 116 HN GLY 116 1.765 14.910 -12.353 859 HA2 GLY 116 HA2 GLY 116 1.473 15.951 -14.389 860 HA3 GLY 116 HA1 GLY 116 0.420 17.146 -13.642 861 H THR 117 HN THR 117 2.532 17.650 -15.517 862 HA THR 117 HA THR 117 3.945 19.688 -13.962 863 HB THR 117 HB THR 117 5.600 17.883 -14.132 864 HG1 THR 117 HG1 THR 117 6.244 20.123 -14.375 865 HG21 THR 117 HG21 THR 117 6.530 17.130 -16.287 866 HG22 THR 117 HG22 THR 117 5.321 18.081 -17.152 867 HG23 THR 117 HG23 THR 117 4.819 16.712 -16.156 868 H GLN 118 HN GLN 118 3.552 21.577 -14.846 869 HA GLN 118 HA GLN 118 2.108 21.836 -17.322 870 HB2 GLN 118 HB2 GLN 118 3.027 23.819 -15.212 871 HB3 GLN 118 HB1 GLN 118 2.306 24.373 -16.721 872 HG2 GLN 118 HG2 GLN 118 0.841 22.354 -15.028 873 HG3 GLN 118 HG1 GLN 118 0.831 24.051 -14.568 874 HE21 GLN 118 HE21 GLN 118 0.806 23.106 -18.006 875 HE22 GLN 118 HE22 GLN 118 -0.832 23.561 -18.285 876 H VAL 119 HN VAL 119 3.336 21.409 -19.070 877 HA VAL 119 HA VAL 119 5.837 22.820 -19.583 878 HB VAL 119 HB VAL 119 5.975 21.620 -21.654 879 HG11 VAL 119 HG11 VAL 119 6.399 20.185 -19.706 880 HG12 VAL 119 HG12 VAL 119 5.691 19.238 -21.016 881 HG13 VAL 119 HG13 VAL 119 4.694 19.729 -19.644 882 HG21 VAL 119 HG21 VAL 119 3.702 22.000 -22.540 883 HG22 VAL 119 HG22 VAL 119 3.045 20.832 -21.396 884 HG23 VAL 119 HG23 VAL 119 4.138 20.294 -22.673 885 H THR 120 HN THR 120 5.969 24.691 -20.827 886 HA THR 120 HA THR 120 3.497 25.740 -22.065 887 HB THR 120 HB THR 120 5.442 27.377 -20.373 888 HG1 THR 120 HG1 THR 120 3.195 25.928 -19.710 889 HG21 THR 120 HG21 THR 120 2.784 28.165 -21.630 890 HG22 THR 120 HG22 THR 120 4.373 28.711 -22.167 891 HG23 THR 120 HG23 THR 120 3.770 29.185 -20.579 892 H VAL 121 HN VAL 121 4.023 25.725 -24.194 893 HA VAL 121 HA VAL 121 6.778 26.292 -25.011 894 HB VAL 121 HB VAL 121 4.416 25.473 -26.738 895 HG11 VAL 121 HG11 VAL 121 7.397 25.593 -27.377 896 HG12 VAL 121 HG12 VAL 121 6.160 26.668 -28.032 897 HG13 VAL 121 HG13 VAL 121 6.150 24.952 -28.451 898 HG21 VAL 121 HG21 VAL 121 4.989 23.705 -25.112 899 HG22 VAL 121 HG22 VAL 121 6.683 23.784 -25.609 900 HG23 VAL 121 HG23 VAL 121 5.456 23.222 -26.747 901 H SER 122 HN SER 122 7.135 28.429 -24.782 902 HA SER 122 HA SER 122 5.700 30.668 -25.356 903 HB2 SER 122 HB2 SER 122 7.997 30.783 -24.540 904 HB3 SER 122 HB1 SER 122 8.618 30.091 -26.035 905 HG SER 122 HG SER 122 8.107 31.955 -27.107 906 H SER 123 HN SER 123 5.104 31.856 -27.105 907 HA SER 123 HA SER 123 4.758 30.670 -29.665 908 HB2 SER 123 HB2 SER 123 3.874 32.952 -30.260 909 HB3 SER 123 HB1 SER 123 3.135 32.261 -28.818 910 HG SER 123 HG SER 123 3.756 34.498 -28.652 911 H LEU 124 HN LEU 124 5.474 31.873 -31.714 912 HA LEU 124 HA LEU 124 8.268 31.801 -31.948 913 HB2 LEU 124 HB2 LEU 124 6.117 32.883 -33.790 914 HB3 LEU 124 HB1 LEU 124 7.806 33.022 -34.224 915 HG LEU 124 HG LEU 124 6.960 31.141 -35.400 916 HD11 LEU 124 HD11 LEU 124 8.320 29.299 -34.614 917 HD12 LEU 124 HD12 LEU 124 8.483 30.056 -33.026 918 HD13 LEU 124 HD13 LEU 124 9.182 30.829 -34.452 919 HD21 LEU 124 HD21 LEU 124 5.814 29.232 -34.350 920 HD22 LEU 124 HD22 LEU 124 4.916 30.735 -34.162 921 HD23 LEU 124 HD23 LEU 124 5.824 30.079 -32.797 922 H GLU 125 HN GLU 125 6.090 34.586 -31.614 923 HA GLU 125 HA GLU 125 8.320 36.209 -30.653 924 HB2 GLU 125 HB2 GLU 125 8.167 36.582 -33.111 925 HB3 GLU 125 HB1 GLU 125 6.502 37.122 -32.930 926 HG2 GLU 125 HG2 GLU 125 8.714 38.529 -31.433 927 HG3 GLU 125 HG1 GLU 125 8.489 38.837 -33.149 928 H HIS 126 HN HIS 126 7.702 36.982 -28.778 929 HA HIS 126 HA HIS 126 5.272 38.559 -28.603 930 HB2 HIS 126 HB2 HIS 126 4.555 37.636 -26.432 931 HB3 HIS 126 HB1 HIS 126 4.521 36.395 -27.671 932 HD1 HIS 126 HD1 HIS 126 5.698 37.023 -24.309 933 HD2 HIS 126 HD2 HIS 126 6.845 34.555 -27.452 934 HE1 HIS 126 HE1 HIS 126 7.189 35.280 -23.282 935 HE2 HIS 126 HE2 HIS 126 7.979 33.887 -25.224 936 H HIS 127 HN HIS 127 6.215 40.476 -28.318 937 HA HIS 127 HA HIS 127 8.519 40.889 -26.580 938 HB2 HIS 127 HB2 HIS 127 6.866 42.758 -28.316 939 HB3 HIS 127 HB1 HIS 127 8.140 43.352 -27.251 940 HD1 HIS 127 HD1 HIS 127 7.608 42.170 -30.622 941 HD2 HIS 127 HD2 HIS 127 10.776 42.123 -27.941 942 HE1 HIS 127 HE1 HIS 127 9.658 41.790 -32.018 943 HE2 HIS 127 HE2 HIS 127 11.574 41.850 -30.388 944 H HIS 128 HN HIS 128 5.698 40.103 -25.608 945 HA HIS 128 HA HIS 128 5.673 41.986 -23.317 946 HB2 HIS 128 HB2 HIS 128 3.330 40.484 -24.585 947 HB3 HIS 128 HB1 HIS 128 3.248 41.277 -23.015 948 HD1 HIS 128 HD1 HIS 128 3.018 41.941 -26.630 949 HD2 HIS 128 HD2 HIS 128 3.407 44.163 -23.137 950 HE1 HIS 128 HE1 HIS 128 2.432 44.297 -27.270 951 HE2 HIS 128 HE2 HIS 128 2.744 45.632 -25.161 952 H HIS 129 HN HIS 129 4.946 40.964 -21.277 953 HA HIS 129 HA HIS 129 5.544 38.058 -21.093 954 HB2 HIS 129 HB2 HIS 129 5.925 40.217 -18.966 955 HB3 HIS 129 HB1 HIS 129 6.124 38.495 -18.677 956 HD1 HIS 129 HD1 HIS 129 8.370 37.518 -19.145 957 HD2 HIS 129 HD2 HIS 129 7.932 41.307 -20.781 958 HE1 HIS 129 HE1 HIS 129 10.644 38.142 -20.001 959 HE2 HIS 129 HE2 HIS 129 10.362 40.448 -20.979 960 H HIS 130 HN HIS 130 3.938 40.293 -18.807 961 HA HIS 130 HA HIS 130 1.307 39.981 -19.667 962 HB2 HIS 130 HB2 HIS 130 1.486 37.620 -18.891 963 HB3 HIS 130 HB1 HIS 130 1.921 38.174 -17.278 964 HD1 HIS 130 HD1 HIS 130 0.008 38.593 -15.693 965 HD2 HIS 130 HD2 HIS 130 -1.237 38.439 -19.657 966 HE1 HIS 130 HE1 HIS 130 -2.494 38.751 -15.621 967 HE2 HIS 130 HE2 HIS 130 -3.206 38.859 -18.038 968 H HIS 131 HN HIS 131 3.270 40.272 -16.691 969 HA HIS 131 HA HIS 131 3.010 41.314 -14.726 970 HB2 HIS 131 HB2 HIS 131 1.511 43.327 -16.422 971 HB3 HIS 131 HB1 HIS 131 1.613 43.527 -14.679 972 HD1 HIS 131 HD1 HIS 131 3.495 44.151 -17.789 973 HD2 HIS 131 HD2 HIS 131 4.332 43.935 -13.719 974 HE1 HIS 131 HE1 HIS 131 5.764 45.200 -17.505 975 HE2 HIS 131 HE2 HIS 131 6.212 45.130 -15.032 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 2.806 2.423 -0.063 2 H2 MET 1 HT2 MET 1 1.222 1.941 0.285 3 H3 MET 1 HT3 MET 1 2.099 2.835 1.416 4 HA MET 1 HA MET 1 0.472 4.193 0.307 5 HB2 MET 1 HB2 MET 1 3.372 4.864 -0.350 6 HB3 MET 1 HB1 MET 1 2.047 6.026 -0.421 7 HG2 MET 1 HG2 MET 1 3.081 4.610 2.054 8 HG3 MET 1 HG1 MET 1 3.242 6.325 1.654 9 HE1 MET 1 HE1 MET 1 2.223 6.723 4.234 10 HE2 MET 1 HE2 MET 1 1.986 4.984 4.418 11 HE3 MET 1 HE3 MET 1 0.649 6.095 4.721 12 H GLN 2 HN GLN 2 1.407 1.822 -1.600 13 HA GLN 2 HA GLN 2 0.945 1.134 -3.689 14 HB2 GLN 2 HB2 GLN 2 -0.999 3.419 -3.353 15 HB3 GLN 2 HB1 GLN 2 -0.842 2.712 -4.951 16 HG2 GLN 2 HG2 GLN 2 -2.731 1.753 -3.707 17 HG3 GLN 2 HG1 GLN 2 -1.534 0.534 -4.132 18 HE21 GLN 2 HE21 GLN 2 -2.246 -0.895 -2.542 19 HE22 GLN 2 HE22 GLN 2 -2.008 -0.627 -0.852 20 H LEU 3 HN LEU 3 0.597 2.330 -6.148 21 HA LEU 3 HA LEU 3 3.285 3.205 -6.740 22 HB2 LEU 3 HB2 LEU 3 1.773 1.719 -8.221 23 HB3 LEU 3 HB1 LEU 3 0.939 3.183 -8.680 24 HG LEU 3 HG LEU 3 2.586 2.414 -10.386 25 HD11 LEU 3 HD11 LEU 3 2.022 4.794 -10.316 26 HD12 LEU 3 HD12 LEU 3 3.672 4.526 -10.870 27 HD13 LEU 3 HD13 LEU 3 3.375 5.093 -9.224 28 HD21 LEU 3 HD21 LEU 3 4.253 1.411 -8.913 29 HD22 LEU 3 HD22 LEU 3 4.716 3.005 -8.314 30 HD23 LEU 3 HD23 LEU 3 4.997 2.578 -10.003 31 H GLN 4 HN GLN 4 3.919 5.198 -6.455 32 HA GLN 4 HA GLN 4 2.067 7.502 -6.508 33 HB2 GLN 4 HB2 GLN 4 4.938 7.483 -5.461 34 HB3 GLN 4 HB1 GLN 4 3.649 8.629 -5.082 35 HG2 GLN 4 HG2 GLN 4 2.458 6.861 -3.821 36 HG3 GLN 4 HG1 GLN 4 3.734 5.715 -4.230 37 HE21 GLN 4 HE21 GLN 4 2.844 8.412 -2.231 38 HE22 GLN 4 HE22 GLN 4 4.226 8.376 -1.194 39 H LEU 5 HN LEU 5 2.671 9.373 -7.817 40 HA LEU 5 HA LEU 5 4.906 9.002 -9.736 41 HB2 LEU 5 HB2 LEU 5 2.068 9.878 -10.410 42 HB3 LEU 5 HB1 LEU 5 3.427 10.094 -11.505 43 HG LEU 5 HG LEU 5 2.452 7.384 -10.501 44 HD11 LEU 5 HD11 LEU 5 0.744 8.394 -11.918 45 HD12 LEU 5 HD12 LEU 5 1.512 7.040 -12.742 46 HD13 LEU 5 HD13 LEU 5 1.936 8.697 -13.187 47 HD21 LEU 5 HD21 LEU 5 4.471 8.054 -12.678 48 HD22 LEU 5 HD22 LEU 5 3.903 6.436 -12.254 49 HD23 LEU 5 HD23 LEU 5 4.838 7.370 -11.090 50 H VAL 6 HN VAL 6 6.313 10.534 -9.147 51 HA VAL 6 HA VAL 6 5.409 13.307 -8.584 52 HB VAL 6 HB VAL 6 8.049 11.953 -7.807 53 HG11 VAL 6 HG11 VAL 6 7.117 14.810 -7.262 54 HG12 VAL 6 HG12 VAL 6 8.435 14.338 -8.338 55 HG13 VAL 6 HG13 VAL 6 8.578 14.074 -6.599 56 HG21 VAL 6 HG21 VAL 6 5.735 12.903 -6.059 57 HG22 VAL 6 HG22 VAL 6 7.252 12.221 -5.467 58 HG23 VAL 6 HG23 VAL 6 6.144 11.218 -6.404 59 H GLU 7 HN GLU 7 5.497 14.476 -10.376 60 HA GLU 7 HA GLU 7 7.361 13.834 -12.557 61 HB2 GLU 7 HB2 GLU 7 4.828 15.524 -12.523 62 HB3 GLU 7 HB1 GLU 7 5.817 15.190 -13.950 63 HG2 GLU 7 HG2 GLU 7 5.324 12.809 -13.784 64 HG3 GLU 7 HG1 GLU 7 4.408 13.075 -12.293 65 H SER 8 HN SER 8 8.394 15.481 -13.702 66 HA SER 8 HA SER 8 8.698 18.193 -12.716 67 HB2 SER 8 HB2 SER 8 11.042 16.223 -12.709 68 HB3 SER 8 HB1 SER 8 11.214 17.969 -12.529 69 HG SER 8 HG SER 8 9.407 16.929 -10.767 70 H GLY 9 HN GLY 9 9.792 19.534 -14.268 71 HA2 GLY 9 HA2 GLY 9 11.198 19.622 -16.318 72 HA3 GLY 9 HA1 GLY 9 10.167 18.370 -16.994 73 H GLY 10 HN GLY 10 8.017 20.118 -15.358 74 HA2 GLY 10 HA2 GLY 10 6.914 21.433 -17.641 75 HA3 GLY 10 HA1 GLY 10 6.329 21.531 -15.994 76 H GLY 11 HN GLY 11 8.472 22.940 -18.371 77 HA2 GLY 11 HA2 GLY 11 8.435 25.520 -16.905 78 HA3 GLY 11 HA1 GLY 11 9.955 24.893 -17.548 79 H LEU 12 HN LEU 12 9.643 27.160 -18.562 80 HA LEU 12 HA LEU 12 7.904 27.150 -20.919 81 HB2 LEU 12 HB2 LEU 12 7.965 29.092 -19.301 82 HB3 LEU 12 HB1 LEU 12 9.588 29.412 -19.859 83 HG LEU 12 HG LEU 12 7.340 29.390 -21.872 84 HD11 LEU 12 HD11 LEU 12 8.007 31.768 -20.098 85 HD12 LEU 12 HD12 LEU 12 6.499 30.846 -20.103 86 HD13 LEU 12 HD13 LEU 12 6.950 31.798 -21.515 87 HD21 LEU 12 HD21 LEU 12 8.746 31.091 -23.017 88 HD22 LEU 12 HD22 LEU 12 9.586 29.561 -22.797 89 HD23 LEU 12 HD23 LEU 12 9.962 30.930 -21.746 90 H VAL 13 HN VAL 13 8.716 26.378 -22.735 91 HA VAL 13 HA VAL 13 11.480 27.056 -23.569 92 HB VAL 13 HB VAL 13 11.429 25.048 -25.052 93 HG11 VAL 13 HG11 VAL 13 11.719 23.299 -23.313 94 HG12 VAL 13 HG12 VAL 13 10.931 24.346 -22.128 95 HG13 VAL 13 HG13 VAL 13 12.478 24.820 -22.833 96 HG21 VAL 13 HG21 VAL 13 9.666 23.311 -24.798 97 HG22 VAL 13 HG22 VAL 13 8.995 24.834 -25.387 98 HG23 VAL 13 HG23 VAL 13 8.783 24.371 -23.697 99 H GLN 14 HN GLN 14 11.649 27.266 -25.964 100 HA GLN 14 HA GLN 14 9.535 28.897 -27.100 101 HB2 GLN 14 HB2 GLN 14 11.081 29.416 -28.912 102 HB3 GLN 14 HB1 GLN 14 11.948 29.538 -27.393 103 HG2 GLN 14 HG2 GLN 14 12.130 27.181 -29.302 104 HG3 GLN 14 HG1 GLN 14 13.287 28.517 -29.225 105 HE21 GLN 14 HE21 GLN 14 12.090 25.653 -27.589 106 HE22 GLN 14 HE22 GLN 14 13.422 25.487 -26.503 107 H ALA 15 HN ALA 15 8.433 28.467 -29.050 108 HA ALA 15 HA ALA 15 7.797 25.791 -29.751 109 HB1 ALA 15 HB1 ALA 15 6.547 26.808 -31.626 110 HB2 ALA 15 HB2 ALA 15 7.313 28.364 -31.290 111 HB3 ALA 15 HB3 ALA 15 6.225 27.642 -30.104 112 H GLY 16 HN GLY 16 8.934 24.442 -30.939 113 HA2 GLY 16 HA2 GLY 16 10.026 23.866 -33.031 114 HA3 GLY 16 HA1 GLY 16 10.949 25.363 -32.915 115 H GLY 17 HN GLY 17 11.118 24.836 -29.904 116 HA2 GLY 17 HA2 GLY 17 13.643 23.402 -29.942 117 HA3 GLY 17 HA1 GLY 17 12.899 24.207 -28.569 118 H SER 18 HN SER 18 13.731 22.247 -27.472 119 HA SER 18 HA SER 18 11.838 19.967 -27.622 120 HB2 SER 18 HB2 SER 18 13.813 18.481 -27.079 121 HB3 SER 18 HB1 SER 18 13.912 19.249 -28.663 122 HG SER 18 HG SER 18 15.691 20.139 -28.048 123 H LEU 19 HN LEU 19 11.527 18.823 -25.658 124 HA LEU 19 HA LEU 19 12.621 19.803 -23.145 125 HB2 LEU 19 HB2 LEU 19 10.642 21.277 -23.542 126 HB3 LEU 19 HB1 LEU 19 9.622 19.858 -23.704 127 HG LEU 19 HG LEU 19 10.057 19.282 -21.312 128 HD11 LEU 19 HD11 LEU 19 12.262 20.299 -21.023 129 HD12 LEU 19 HD12 LEU 19 11.134 20.889 -19.806 130 HD13 LEU 19 HD13 LEU 19 11.562 21.915 -21.179 131 HD21 LEU 19 HD21 LEU 19 8.946 22.081 -21.733 132 HD22 LEU 19 HD22 LEU 19 8.658 21.050 -20.326 133 HD23 LEU 19 HD23 LEU 19 8.055 20.565 -21.909 134 H ARG 20 HN ARG 20 12.873 18.112 -21.775 135 HA ARG 20 HA ARG 20 11.450 15.575 -22.342 136 HB2 ARG 20 HB2 ARG 20 13.928 15.443 -22.643 137 HB3 ARG 20 HB1 ARG 20 14.149 15.925 -20.962 138 HG2 ARG 20 HG2 ARG 20 13.006 13.870 -20.206 139 HG3 ARG 20 HG1 ARG 20 12.719 13.398 -21.884 140 HD2 ARG 20 HD2 ARG 20 15.418 13.657 -20.504 141 HD3 ARG 20 HD1 ARG 20 14.620 12.155 -20.989 142 HE ARG 20 HE ARG 20 15.039 13.962 -23.182 143 HH11 ARG 20 HH11 ARG 20 16.627 11.448 -21.320 144 HH12 ARG 20 HH12 ARG 20 17.795 11.122 -22.557 145 HH21 ARG 20 HH21 ARG 20 16.541 13.502 -24.789 146 HH22 ARG 20 HH22 ARG 20 17.732 12.269 -24.527 147 H LEU 21 HN LEU 21 10.003 15.020 -20.897 148 HA LEU 21 HA LEU 21 9.887 16.160 -18.228 149 HB2 LEU 21 HB2 LEU 21 8.033 14.224 -19.692 150 HB3 LEU 21 HB1 LEU 21 7.756 14.799 -18.059 151 HG LEU 21 HG LEU 21 6.314 16.054 -19.481 152 HD11 LEU 21 HD11 LEU 21 6.997 18.350 -19.114 153 HD12 LEU 21 HD12 LEU 21 8.660 17.844 -18.826 154 HD13 LEU 21 HD13 LEU 21 7.379 17.353 -17.714 155 HD21 LEU 21 HD21 LEU 21 7.018 17.344 -21.440 156 HD22 LEU 21 HD22 LEU 21 7.377 15.631 -21.646 157 HD23 LEU 21 HD23 LEU 21 8.676 16.759 -21.251 158 H SER 22 HN SER 22 9.686 14.786 -16.365 159 HA SER 22 HA SER 22 10.863 12.100 -16.477 160 HB2 SER 22 HB2 SER 22 12.432 12.749 -14.586 161 HB3 SER 22 HB1 SER 22 12.818 13.530 -16.119 162 HG SER 22 HG SER 22 11.160 15.159 -14.935 163 H CYS 23 HN CYS 23 9.951 10.764 -14.950 164 HA CYS 23 HA CYS 23 8.278 11.892 -12.797 165 HB2 CYS 23 HB2 CYS 23 6.758 11.505 -14.706 166 HB3 CYS 23 HB1 CYS 23 7.308 9.838 -14.838 167 HG CYS 23 HG CYS 23 5.034 9.308 -13.650 168 H VAL 24 HN VAL 24 8.979 10.956 -10.975 169 HA VAL 24 HA VAL 24 10.414 8.431 -10.968 170 HB VAL 24 HB VAL 24 9.618 10.149 -8.568 171 HG11 VAL 24 HG11 VAL 24 11.514 9.027 -7.418 172 HG12 VAL 24 HG12 VAL 24 11.813 8.047 -8.856 173 HG13 VAL 24 HG13 VAL 24 10.303 7.860 -7.957 174 HG21 VAL 24 HG21 VAL 24 10.902 11.546 -10.146 175 HG22 VAL 24 HG22 VAL 24 12.186 10.335 -10.210 176 HG23 VAL 24 HG23 VAL 24 11.864 11.200 -8.705 177 H ALA 25 HN ALA 25 9.439 6.547 -10.657 178 HA ALA 25 HA ALA 25 6.612 6.360 -9.999 179 HB1 ALA 25 HB1 ALA 25 6.793 4.041 -10.809 180 HB2 ALA 25 HB2 ALA 25 8.544 4.223 -10.980 181 HB3 ALA 25 HB3 ALA 25 7.454 5.174 -11.989 182 H SER 26 HN SER 26 6.437 6.573 -7.833 183 HA SER 26 HA SER 26 5.947 5.783 -5.801 184 HB2 SER 26 HB2 SER 26 5.551 3.607 -7.004 185 HB3 SER 26 HB1 SER 26 7.207 3.136 -6.631 186 HG SER 26 HG SER 26 6.606 3.442 -4.372 187 H GLY 27 HN GLY 27 8.542 7.055 -6.478 188 HA2 GLY 27 HA2 GLY 27 10.473 7.720 -5.426 189 HA3 GLY 27 HA1 GLY 27 9.884 6.921 -3.974 190 H ARG 28 HN ARG 28 10.915 5.893 -7.220 191 HA ARG 28 HA ARG 28 12.374 4.379 -8.035 192 HB2 ARG 28 HB2 ARG 28 13.871 4.864 -5.425 193 HB3 ARG 28 HB1 ARG 28 14.551 4.105 -6.868 194 HG2 ARG 28 HG2 ARG 28 14.219 6.210 -8.127 195 HG3 ARG 28 HG1 ARG 28 13.532 6.970 -6.692 196 HD2 ARG 28 HD2 ARG 28 16.370 5.903 -6.917 197 HD3 ARG 28 HD1 ARG 28 15.900 7.598 -7.093 198 HE ARG 28 HE ARG 28 14.916 6.728 -4.651 199 HH11 ARG 28 HH11 ARG 28 18.087 7.187 -6.076 200 HH12 ARG 28 HH12 ARG 28 18.839 7.515 -4.550 201 HH21 ARG 28 HH21 ARG 28 15.908 7.146 -2.683 202 HH22 ARG 28 HH22 ARG 28 17.613 7.467 -2.630 203 H THR 29 HN THR 29 10.271 3.165 -7.392 204 HA THR 29 HA THR 29 11.020 0.607 -6.117 205 HB THR 29 HB THR 29 8.386 2.098 -5.619 206 HG1 THR 29 HG1 THR 29 10.789 2.024 -4.252 207 HG21 THR 29 HG21 THR 29 7.899 0.329 -3.955 208 HG22 THR 29 HG22 THR 29 9.380 -0.516 -4.409 209 HG23 THR 29 HG23 THR 29 8.063 -0.363 -5.573 210 H PHE 30 HN PHE 30 9.861 -1.190 -7.011 211 HA PHE 30 HA PHE 30 8.795 -0.740 -9.731 212 HB2 PHE 30 HB2 PHE 30 10.755 -2.178 -9.722 213 HB3 PHE 30 HB1 PHE 30 10.105 -3.164 -8.418 214 HD1 PHE 30 HD1 PHE 30 9.304 -2.135 -11.952 215 HD2 PHE 30 HD2 PHE 30 9.018 -5.197 -8.976 216 HE1 PHE 30 HE1 PHE 30 8.292 -3.651 -13.594 217 HE2 PHE 30 HE2 PHE 30 8.014 -6.707 -10.637 218 HZ PHE 30 HZ PHE 30 7.649 -5.936 -12.947 219 H ARG 31 HN ARG 31 6.766 -1.209 -10.157 220 HA ARG 31 HA ARG 31 5.016 -2.964 -8.784 221 HB2 ARG 31 HB2 ARG 31 5.205 -1.306 -6.978 222 HB3 ARG 31 HB1 ARG 31 4.832 0.004 -8.090 223 HG2 ARG 31 HG2 ARG 31 2.535 -0.766 -8.325 224 HG3 ARG 31 HG1 ARG 31 2.885 -2.215 -7.374 225 HD2 ARG 31 HD2 ARG 31 3.025 0.642 -6.338 226 HD3 ARG 31 HD1 ARG 31 1.697 -0.486 -6.057 227 HE ARG 31 HE ARG 31 3.343 -1.932 -4.892 228 HH11 ARG 31 HH11 ARG 31 4.075 1.493 -5.125 229 HH12 ARG 31 HH12 ARG 31 4.991 1.511 -3.665 230 HH21 ARG 31 HH21 ARG 31 4.606 -1.880 -3.005 231 HH22 ARG 31 HH22 ARG 31 5.297 -0.385 -2.477 232 H SER 32 HN SER 32 5.474 -0.083 -10.786 233 HA SER 32 HA SER 32 2.975 -0.195 -12.163 234 HB2 SER 32 HB2 SER 32 4.152 1.408 -13.758 235 HB3 SER 32 HB1 SER 32 4.141 1.911 -12.070 236 HG SER 32 HG SER 32 6.202 2.118 -13.166 237 H ASN 33 HN ASN 33 2.507 -2.074 -13.174 238 HA ASN 33 HA ASN 33 4.359 -3.576 -14.836 239 HB2 ASN 33 HB2 ASN 33 1.344 -3.797 -14.403 240 HB3 ASN 33 HB1 ASN 33 2.258 -4.892 -15.433 241 HD21 ASN 33 HD21 ASN 33 3.509 -3.710 -12.311 242 HD22 ASN 33 HD22 ASN 33 3.381 -5.224 -11.505 243 H ALA 34 HN ALA 34 1.804 -1.226 -15.227 244 HA ALA 34 HA ALA 34 2.568 -0.716 -18.025 245 HB1 ALA 34 HB1 ALA 34 0.486 -2.051 -18.075 246 HB2 ALA 34 HB2 ALA 34 0.190 -0.404 -18.628 247 HB3 ALA 34 HB3 ALA 34 -0.301 -0.893 -17.001 248 H MET 35 HN MET 35 2.262 1.429 -18.638 249 HA MET 35 HA MET 35 1.455 3.529 -16.797 250 HB2 MET 35 HB2 MET 35 4.342 3.296 -17.800 251 HB3 MET 35 HB1 MET 35 3.665 4.794 -17.174 252 HG2 MET 35 HG2 MET 35 3.389 3.814 -14.982 253 HG3 MET 35 HG1 MET 35 3.880 2.231 -15.578 254 HE1 MET 35 HE1 MET 35 6.298 3.182 -17.553 255 HE2 MET 35 HE2 MET 35 6.381 1.751 -16.523 256 HE3 MET 35 HE3 MET 35 7.672 2.952 -16.472 257 H GLY 36 HN GLY 36 1.580 5.672 -17.939 258 HA2 GLY 36 HA2 GLY 36 2.021 5.701 -20.809 259 HA3 GLY 36 HA1 GLY 36 0.343 5.954 -20.324 260 H TRP 37 HN TRP 37 1.465 7.929 -21.691 261 HA TRP 37 HA TRP 37 1.594 10.072 -19.650 262 HB2 TRP 37 HB2 TRP 37 2.853 10.032 -22.437 263 HB3 TRP 37 HB1 TRP 37 2.642 11.507 -21.500 264 HD1 TRP 37 HD1 TRP 37 4.930 8.514 -21.836 265 HE1 TRP 37 HE1 TRP 37 6.923 8.773 -20.243 266 HE3 TRP 37 HE3 TRP 37 3.280 12.520 -19.110 267 HZ2 TRP 37 HZ2 TRP 37 7.709 10.436 -18.108 268 HZ3 TRP 37 HZ3 TRP 37 4.723 13.394 -17.311 269 HH2 TRP 37 HH2 TRP 37 6.896 12.372 -16.820 270 H PHE 38 HN PHE 38 -0.001 11.458 -19.745 271 HA PHE 38 HA PHE 38 -1.709 11.755 -22.134 272 HB2 PHE 38 HB2 PHE 38 -2.514 11.944 -19.183 273 HB3 PHE 38 HB1 PHE 38 -3.547 12.439 -20.515 274 HD1 PHE 38 HD1 PHE 38 -1.897 9.474 -18.952 275 HD2 PHE 38 HD2 PHE 38 -4.892 10.844 -21.680 276 HE1 PHE 38 HE1 PHE 38 -2.829 7.204 -19.083 277 HE2 PHE 38 HE2 PHE 38 -5.812 8.572 -21.804 278 HZ PHE 38 HZ PHE 38 -4.782 6.747 -20.508 279 H ARG 39 HN ARG 39 -2.624 13.933 -22.298 280 HA ARG 39 HA ARG 39 -1.320 16.070 -20.740 281 HB2 ARG 39 HB2 ARG 39 -0.818 17.395 -22.672 282 HB3 ARG 39 HB1 ARG 39 -0.148 15.799 -22.979 283 HG2 ARG 39 HG2 ARG 39 -2.092 15.279 -24.443 284 HG3 ARG 39 HG1 ARG 39 -2.728 16.898 -24.145 285 HD2 ARG 39 HD2 ARG 39 -0.446 17.738 -25.049 286 HD3 ARG 39 HD1 ARG 39 -0.255 16.098 -25.682 287 HE ARG 39 HE ARG 39 -2.680 16.774 -26.622 288 HH11 ARG 39 HH11 ARG 39 0.406 18.457 -26.755 289 HH12 ARG 39 HH12 ARG 39 -0.019 19.368 -28.166 290 HH21 ARG 39 HH21 ARG 39 -3.218 18.000 -28.459 291 HH22 ARG 39 HH22 ARG 39 -2.067 19.112 -29.124 292 H GLN 40 HN GLN 40 -2.640 17.990 -20.631 293 HA GLN 40 HA GLN 40 -5.388 17.862 -21.580 294 HB2 GLN 40 HB2 GLN 40 -5.266 16.366 -19.538 295 HB3 GLN 40 HB1 GLN 40 -4.766 17.755 -18.581 296 HG2 GLN 40 HG2 GLN 40 -6.914 18.813 -18.890 297 HG3 GLN 40 HG1 GLN 40 -7.403 17.598 -20.073 298 HE21 GLN 40 HE21 GLN 40 -9.212 16.958 -18.917 299 HE22 GLN 40 HE22 GLN 40 -9.140 16.096 -17.426 300 H ALA 41 HN ALA 41 -6.427 19.874 -21.417 301 HA ALA 41 HA ALA 41 -4.784 22.167 -20.513 302 HB1 ALA 41 HB1 ALA 41 -5.465 22.242 -22.877 303 HB2 ALA 41 HB2 ALA 41 -6.258 23.529 -21.967 304 HB3 ALA 41 HB3 ALA 41 -7.158 22.078 -22.419 305 HA PRO 42 HA PRO 42 -7.379 22.681 -16.863 306 HB2 PRO 42 HB2 PRO 42 -7.344 25.641 -17.499 307 HB3 PRO 42 HB1 PRO 42 -6.940 24.810 -15.987 308 HG2 PRO 42 HG2 PRO 42 -4.997 25.743 -17.555 309 HG3 PRO 42 HG1 PRO 42 -4.819 24.166 -16.756 310 HD2 PRO 42 HD2 PRO 42 -5.507 24.771 -19.631 311 HD3 PRO 42 HD1 PRO 42 -4.445 23.510 -18.964 312 H GLY 43 HN GLY 43 -9.395 21.821 -17.286 313 HA2 GLY 43 HA2 GLY 43 -11.745 22.299 -17.167 314 HA3 GLY 43 HA1 GLY 43 -11.522 23.664 -18.249 315 H LYS 44 HN LYS 44 -9.674 21.539 -19.724 316 HA LYS 44 HA LYS 44 -11.786 20.537 -21.515 317 HB2 LYS 44 HB2 LYS 44 -8.771 20.718 -21.932 318 HB3 LYS 44 HB1 LYS 44 -9.943 20.211 -23.145 319 HG2 LYS 44 HG2 LYS 44 -10.079 22.978 -21.905 320 HG3 LYS 44 HG1 LYS 44 -8.980 22.631 -23.232 321 HD2 LYS 44 HD2 LYS 44 -10.928 23.603 -24.211 322 HD3 LYS 44 HD1 LYS 44 -10.986 21.888 -24.598 323 HE2 LYS 44 HE2 LYS 44 -12.677 21.534 -22.858 324 HE3 LYS 44 HE1 LYS 44 -12.581 23.229 -22.382 325 HZ1 LYS 44 HZ1 LYS 44 -13.372 23.834 -24.587 326 HZ2 LYS 44 HZ2 LYS 44 -14.468 22.817 -23.802 327 HZ3 LYS 44 HZ3 LYS 44 -13.471 22.200 -25.020 328 H GLU 45 HN GLU 45 -11.193 18.389 -22.604 329 HA GLU 45 HA GLU 45 -10.876 16.292 -20.632 330 HB2 GLU 45 HB2 GLU 45 -11.194 16.163 -23.667 331 HB3 GLU 45 HB1 GLU 45 -11.279 14.776 -22.580 332 HG2 GLU 45 HG2 GLU 45 -13.203 17.131 -22.648 333 HG3 GLU 45 HG1 GLU 45 -13.514 15.510 -23.266 334 H ARG 46 HN ARG 46 -9.361 14.365 -21.267 335 HA ARG 46 HA ARG 46 -6.673 15.485 -21.730 336 HB2 ARG 46 HB2 ARG 46 -5.710 13.753 -20.447 337 HB3 ARG 46 HB1 ARG 46 -7.113 14.269 -19.534 338 HG2 ARG 46 HG2 ARG 46 -7.392 11.869 -21.330 339 HG3 ARG 46 HG1 ARG 46 -6.462 11.694 -19.848 340 HD2 ARG 46 HD2 ARG 46 -8.707 10.967 -19.398 341 HD3 ARG 46 HD1 ARG 46 -8.469 12.496 -18.562 342 HE ARG 46 HE ARG 46 -10.124 13.416 -19.822 343 HH11 ARG 46 HH11 ARG 46 -9.110 10.506 -21.537 344 HH12 ARG 46 HH12 ARG 46 -10.528 10.462 -22.533 345 HH21 ARG 46 HH21 ARG 46 -11.962 13.339 -21.163 346 HH22 ARG 46 HH22 ARG 46 -12.131 12.054 -22.313 347 H GLU 47 HN GLU 47 -5.175 14.358 -22.978 348 HA GLU 47 HA GLU 47 -6.232 12.780 -25.230 349 HB2 GLU 47 HB2 GLU 47 -5.563 15.059 -25.904 350 HB3 GLU 47 HB1 GLU 47 -4.003 14.866 -25.128 351 HG2 GLU 47 HG2 GLU 47 -3.759 14.688 -27.533 352 HG3 GLU 47 HG1 GLU 47 -3.378 13.139 -26.778 353 H PHE 48 HN PHE 48 -5.090 10.972 -25.788 354 HA PHE 48 HA PHE 48 -3.177 9.857 -23.898 355 HB2 PHE 48 HB2 PHE 48 -5.113 8.547 -24.893 356 HB3 PHE 48 HB1 PHE 48 -4.326 8.646 -26.462 357 HD1 PHE 48 HD1 PHE 48 -2.614 7.043 -27.056 358 HD2 PHE 48 HD2 PHE 48 -3.945 7.307 -23.007 359 HE1 PHE 48 HE1 PHE 48 -1.391 4.986 -26.506 360 HE2 PHE 48 HE2 PHE 48 -2.716 5.253 -22.468 361 HZ PHE 48 HZ PHE 48 -1.442 4.093 -24.221 362 H VAL 49 HN VAL 49 -1.111 10.465 -24.127 363 HA VAL 49 HA VAL 49 0.039 11.268 -26.699 364 HB VAL 49 HB VAL 49 1.273 11.315 -23.897 365 HG11 VAL 49 HG11 VAL 49 2.994 12.841 -24.843 366 HG12 VAL 49 HG12 VAL 49 2.309 12.619 -26.455 367 HG13 VAL 49 HG13 VAL 49 3.041 11.251 -25.613 368 HG21 VAL 49 HG21 VAL 49 -0.664 12.822 -24.026 369 HG22 VAL 49 HG22 VAL 49 0.001 13.597 -25.467 370 HG23 VAL 49 HG23 VAL 49 0.831 13.758 -23.917 371 H ALA 50 HN ALA 50 0.668 8.891 -24.090 372 HA ALA 50 HA ALA 50 2.240 7.193 -25.879 373 HB1 ALA 50 HB1 ALA 50 3.499 8.448 -23.406 374 HB2 ALA 50 HB2 ALA 50 3.869 8.874 -25.078 375 HB3 ALA 50 HB3 ALA 50 4.257 7.261 -24.477 376 H ALA 51 HN ALA 51 3.071 5.243 -24.725 377 HA ALA 51 HA ALA 51 1.760 4.425 -22.245 378 HB1 ALA 51 HB1 ALA 51 1.418 2.844 -24.830 379 HB2 ALA 51 HB2 ALA 51 0.150 3.729 -23.983 380 HB3 ALA 51 HB3 ALA 51 0.895 2.326 -23.223 381 H ILE 52 HN ILE 52 3.361 3.625 -21.044 382 HA ILE 52 HA ILE 52 5.564 2.091 -22.284 383 HB ILE 52 HB ILE 52 5.862 3.664 -19.682 384 HG12 ILE 52 HG12 ILE 52 7.445 5.171 -21.125 385 HG13 ILE 52 HG11 ILE 52 6.567 4.545 -22.515 386 HG21 ILE 52 HG21 ILE 52 8.281 3.211 -20.025 387 HG22 ILE 52 HG22 ILE 52 7.898 2.285 -21.479 388 HG23 ILE 52 HG23 ILE 52 7.338 1.723 -19.902 389 HD11 ILE 52 HD11 ILE 52 5.755 6.714 -21.842 390 HD12 ILE 52 HD12 ILE 52 5.398 6.115 -20.223 391 HD13 ILE 52 HD13 ILE 52 4.497 5.500 -21.612 392 H ARG 53 HN ARG 53 5.369 0.014 -21.752 393 HA ARG 53 HA ARG 53 4.161 -0.822 -19.206 394 HB2 ARG 53 HB2 ARG 53 4.934 -2.417 -21.696 395 HB3 ARG 53 HB1 ARG 53 4.317 -3.147 -20.223 396 HG2 ARG 53 HG2 ARG 53 2.519 -3.026 -21.818 397 HG3 ARG 53 HG1 ARG 53 2.179 -1.876 -20.527 398 HD2 ARG 53 HD2 ARG 53 2.946 -0.025 -21.968 399 HD3 ARG 53 HD1 ARG 53 3.346 -1.172 -23.244 400 HE ARG 53 HE ARG 53 1.124 -1.348 -23.791 401 HH11 ARG 53 HH11 ARG 53 1.328 0.512 -20.793 402 HH12 ARG 53 HH12 ARG 53 -0.320 1.044 -20.889 403 HH21 ARG 53 HH21 ARG 53 -0.967 -0.548 -23.934 404 HH22 ARG 53 HH22 ARG 53 -1.600 0.467 -22.676 405 H TRP 54 HN TRP 54 5.371 -2.790 -18.200 406 HA TRP 54 HA TRP 54 8.224 -2.344 -17.971 407 HB2 TRP 54 HB2 TRP 54 6.913 -3.126 -16.012 408 HB3 TRP 54 HB1 TRP 54 6.457 -4.589 -16.882 409 HD1 TRP 54 HD1 TRP 54 9.893 -2.891 -16.048 410 HE1 TRP 54 HE1 TRP 54 11.496 -4.722 -15.238 411 HE3 TRP 54 HE3 TRP 54 6.774 -6.941 -16.395 412 HZ2 TRP 54 HZ2 TRP 54 11.468 -7.495 -14.789 413 HZ3 TRP 54 HZ3 TRP 54 7.648 -9.154 -15.748 414 HH2 TRP 54 HH2 TRP 54 9.950 -9.425 -14.961 415 H SER 55 HN SER 55 5.992 -4.392 -19.683 416 HA SER 55 HA SER 55 7.871 -5.123 -21.709 417 HB2 SER 55 HB2 SER 55 7.545 -7.627 -21.375 418 HB3 SER 55 HB1 SER 55 8.501 -6.854 -20.110 419 HG SER 55 HG SER 55 7.084 -7.573 -18.758 420 H GLY 56 HN GLY 56 6.793 -5.867 -23.593 421 HA2 GLY 56 HA2 GLY 56 4.939 -6.978 -24.661 422 HA3 GLY 56 HA1 GLY 56 3.853 -6.267 -23.480 423 H GLY 57 HN GLY 57 5.772 -3.716 -24.139 424 HA2 GLY 57 HA2 GLY 57 4.986 -2.961 -26.795 425 HA3 GLY 57 HA1 GLY 57 3.923 -2.228 -25.595 426 H SER 58 HN SER 58 4.802 -0.829 -24.040 427 HA SER 58 HA SER 58 6.093 0.731 -23.089 428 HB2 SER 58 HB2 SER 58 8.414 -0.890 -24.196 429 HB3 SER 58 HB1 SER 58 8.526 0.325 -22.917 430 HG SER 58 HG SER 58 8.344 -1.716 -21.990 431 H THR 59 HN THR 59 5.194 1.112 -25.875 432 HA THR 59 HA THR 59 6.813 3.381 -26.672 433 HB THR 59 HB THR 59 6.926 2.505 -29.111 434 HG1 THR 59 HG1 THR 59 6.793 -0.075 -27.940 435 HG21 THR 59 HG21 THR 59 8.994 2.666 -27.749 436 HG22 THR 59 HG22 THR 59 9.041 1.278 -28.838 437 HG23 THR 59 HG23 THR 59 8.704 1.043 -27.122 438 H TYR 60 HN TYR 60 5.336 4.901 -27.206 439 HA TYR 60 HA TYR 60 3.310 4.409 -29.122 440 HB2 TYR 60 HB2 TYR 60 2.264 3.652 -26.828 441 HB3 TYR 60 HB1 TYR 60 2.150 5.368 -26.468 442 HD1 TYR 60 HD1 TYR 60 0.852 6.858 -28.189 443 HD2 TYR 60 HD2 TYR 60 0.598 2.588 -28.114 444 HE1 TYR 60 HE1 TYR 60 -1.218 6.968 -29.510 445 HE2 TYR 60 HE2 TYR 60 -1.481 2.707 -29.432 446 HH TYR 60 HH TYR 60 -3.284 4.322 -29.919 447 H TYR 61 HN TYR 61 3.150 6.159 -30.275 448 HA TYR 61 HA TYR 61 2.708 8.773 -29.238 449 HB2 TYR 61 HB2 TYR 61 4.676 9.723 -30.826 450 HB3 TYR 61 HB1 TYR 61 4.976 9.322 -29.145 451 HD1 TYR 61 HD1 TYR 61 5.306 7.901 -32.623 452 HD2 TYR 61 HD2 TYR 61 6.668 7.769 -28.574 453 HE1 TYR 61 HE1 TYR 61 7.106 6.355 -33.263 454 HE2 TYR 61 HE2 TYR 61 8.467 6.235 -29.219 455 HH TYR 61 HH TYR 61 9.293 5.630 -32.471 456 H ALA 62 HN ALA 62 1.863 10.168 -30.872 457 HA ALA 62 HA ALA 62 0.368 8.857 -32.909 458 HB1 ALA 62 HB1 ALA 62 0.817 11.837 -32.462 459 HB2 ALA 62 HB2 ALA 62 -0.460 10.861 -31.736 460 HB3 ALA 62 HB3 ALA 62 -0.440 11.120 -33.479 461 H ASP 63 HN ASP 63 0.458 9.293 -35.230 462 HA ASP 63 HA ASP 63 3.031 8.844 -36.337 463 HB2 ASP 63 HB2 ASP 63 0.879 8.023 -37.329 464 HB3 ASP 63 HB1 ASP 63 0.474 9.676 -37.773 465 H SER 64 HN SER 64 1.110 11.733 -35.938 466 HA SER 64 HA SER 64 2.515 13.483 -37.691 467 HB2 SER 64 HB2 SER 64 0.196 13.890 -36.903 468 HB3 SER 64 HB1 SER 64 0.798 14.147 -35.265 469 HG SER 64 HG SER 64 0.422 16.033 -36.803 470 H VAL 65 HN VAL 65 2.951 12.564 -34.308 471 HA VAL 65 HA VAL 65 5.151 14.513 -33.930 472 HB VAL 65 HB VAL 65 4.949 14.104 -31.531 473 HG11 VAL 65 HG11 VAL 65 2.236 14.683 -32.779 474 HG12 VAL 65 HG12 VAL 65 3.526 15.855 -32.494 475 HG13 VAL 65 HG13 VAL 65 2.714 15.091 -31.126 476 HG21 VAL 65 HG21 VAL 65 4.319 11.734 -31.494 477 HG22 VAL 65 HG22 VAL 65 2.741 12.112 -32.183 478 HG23 VAL 65 HG23 VAL 65 3.152 12.674 -30.560 479 H LYS 66 HN LYS 66 4.825 11.463 -35.000 480 HA LYS 66 HA LYS 66 6.440 9.744 -33.527 481 HB2 LYS 66 HB2 LYS 66 4.915 8.992 -35.286 482 HB3 LYS 66 HB1 LYS 66 5.829 9.869 -36.505 483 HG2 LYS 66 HG2 LYS 66 7.766 8.305 -36.082 484 HG3 LYS 66 HG1 LYS 66 6.719 7.384 -35.001 485 HD2 LYS 66 HD2 LYS 66 6.802 6.346 -37.240 486 HD3 LYS 66 HD1 LYS 66 5.171 6.914 -36.875 487 HE2 LYS 66 HE2 LYS 66 5.584 8.943 -38.255 488 HE3 LYS 66 HE1 LYS 66 7.206 8.357 -38.628 489 HZ1 LYS 66 HZ1 LYS 66 6.187 6.439 -39.700 490 HZ2 LYS 66 HZ2 LYS 66 5.693 7.892 -40.411 491 HZ3 LYS 66 HZ3 LYS 66 4.650 7.051 -39.372 492 H GLY 67 HN GLY 67 8.584 9.382 -33.383 493 HA2 GLY 67 HA2 GLY 67 10.821 9.286 -33.980 494 HA3 GLY 67 HA1 GLY 67 10.524 10.345 -35.347 495 H ARG 68 HN ARG 68 9.159 12.335 -33.621 496 HA ARG 68 HA ARG 68 11.497 13.747 -32.568 497 HB2 ARG 68 HB2 ARG 68 8.580 14.633 -32.826 498 HB3 ARG 68 HB1 ARG 68 9.943 15.665 -32.387 499 HG2 ARG 68 HG2 ARG 68 10.936 15.311 -34.627 500 HG3 ARG 68 HG1 ARG 68 9.570 14.277 -35.066 501 HD2 ARG 68 HD2 ARG 68 9.378 17.208 -34.302 502 HD3 ARG 68 HD1 ARG 68 9.353 16.588 -35.953 503 HE ARG 68 HE ARG 68 7.309 15.256 -34.878 504 HH11 ARG 68 HH11 ARG 68 8.056 18.694 -34.672 505 HH12 ARG 68 HH12 ARG 68 6.395 19.160 -34.591 506 HH21 ARG 68 HH21 ARG 68 5.146 15.912 -34.814 507 HH22 ARG 68 HH22 ARG 68 4.749 17.589 -34.678 508 H PHE 69 HN PHE 69 8.247 12.826 -31.535 509 HA PHE 69 HA PHE 69 8.843 13.054 -28.698 510 HB2 PHE 69 HB2 PHE 69 6.322 12.235 -30.215 511 HB3 PHE 69 HB1 PHE 69 6.439 12.253 -28.460 512 HD1 PHE 69 HD1 PHE 69 4.801 13.895 -27.907 513 HD2 PHE 69 HD2 PHE 69 7.778 14.863 -30.827 514 HE1 PHE 69 HE1 PHE 69 4.040 16.236 -27.925 515 HE2 PHE 69 HE2 PHE 69 7.018 17.200 -30.822 516 HZ PHE 69 HZ PHE 69 5.144 17.889 -29.376 517 H THR 70 HN THR 70 9.625 11.405 -27.588 518 HA THR 70 HA THR 70 9.187 8.603 -28.273 519 HB THR 70 HB THR 70 12.017 9.768 -27.978 520 HG1 THR 70 HG1 THR 70 10.431 9.489 -30.168 521 HG21 THR 70 HG21 THR 70 11.849 7.439 -27.122 522 HG22 THR 70 HG22 THR 70 12.807 7.509 -28.605 523 HG23 THR 70 HG23 THR 70 11.140 6.930 -28.659 524 H ILE 71 HN ILE 71 9.624 7.231 -26.441 525 HA ILE 71 HA ILE 71 9.776 8.618 -23.832 526 HB ILE 71 HB ILE 71 8.238 6.875 -22.887 527 HG12 ILE 71 HG12 ILE 71 8.534 5.179 -24.804 528 HG13 ILE 71 HG11 ILE 71 6.896 5.400 -24.213 529 HG21 ILE 71 HG21 ILE 71 6.151 7.895 -23.698 530 HG22 ILE 71 HG22 ILE 71 7.032 8.631 -25.041 531 HG23 ILE 71 HG23 ILE 71 7.406 9.094 -23.378 532 HD11 ILE 71 HD11 ILE 71 7.990 6.654 -26.727 533 HD12 ILE 71 HD12 ILE 71 6.320 6.699 -26.154 534 HD13 ILE 71 HD13 ILE 71 7.046 5.171 -26.646 535 H SER 72 HN SER 72 10.591 7.366 -22.088 536 HA SER 72 HA SER 72 12.097 4.923 -22.679 537 HB2 SER 72 HB2 SER 72 13.399 7.474 -21.609 538 HB3 SER 72 HB1 SER 72 14.194 5.911 -21.762 539 HG SER 72 HG SER 72 13.237 6.366 -24.130 540 H ARG 73 HN ARG 73 11.993 3.559 -20.949 541 HA ARG 73 HA ARG 73 11.366 4.634 -18.248 542 HB2 ARG 73 HB2 ARG 73 9.654 3.059 -18.984 543 HB3 ARG 73 HB1 ARG 73 10.861 1.876 -19.466 544 HG2 ARG 73 HG2 ARG 73 11.510 1.645 -17.037 545 HG3 ARG 73 HG1 ARG 73 10.176 2.726 -16.624 546 HD2 ARG 73 HD2 ARG 73 8.562 1.124 -17.545 547 HD3 ARG 73 HD1 ARG 73 9.873 0.063 -18.064 548 HE ARG 73 HE ARG 73 10.419 0.037 -15.527 549 HH11 ARG 73 HH11 ARG 73 7.187 0.013 -16.904 550 HH12 ARG 73 HH12 ARG 73 6.484 -0.807 -15.546 551 HH21 ARG 73 HH21 ARG 73 9.486 -1.083 -13.773 552 HH22 ARG 73 HH22 ARG 73 7.786 -1.433 -13.782 553 H ASP 74 HN ASP 74 12.961 4.471 -16.782 554 HA ASP 74 HA ASP 74 15.126 2.466 -17.138 555 HB2 ASP 74 HB2 ASP 74 15.855 4.904 -17.217 556 HB3 ASP 74 HB1 ASP 74 15.262 5.103 -15.577 557 H ASN 75 HN ASN 75 14.842 0.799 -15.718 558 HA ASN 75 HA ASN 75 13.006 1.118 -13.468 559 HB2 ASN 75 HB2 ASN 75 12.936 -0.849 -15.133 560 HB3 ASN 75 HB1 ASN 75 14.354 -1.484 -14.309 561 HD21 ASN 75 HD21 ASN 75 14.117 -2.268 -12.161 562 HD22 ASN 75 HD22 ASN 75 12.568 -2.608 -11.474 563 H ALA 76 HN ALA 76 16.377 1.318 -13.921 564 HA ALA 76 HA ALA 76 17.384 0.167 -11.528 565 HB1 ALA 76 HB1 ALA 76 18.620 2.415 -13.153 566 HB2 ALA 76 HB2 ALA 76 18.848 0.690 -13.443 567 HB3 ALA 76 HB3 ALA 76 19.448 1.418 -11.952 568 H LYS 77 HN LYS 77 16.383 3.540 -12.302 569 HA LYS 77 HA LYS 77 15.999 3.943 -9.370 570 HB2 LYS 77 HB2 LYS 77 16.246 6.387 -9.691 571 HB3 LYS 77 HB1 LYS 77 17.719 5.508 -10.053 572 HG2 LYS 77 HG2 LYS 77 15.864 6.308 -12.301 573 HG3 LYS 77 HG1 LYS 77 16.939 7.506 -11.575 574 HD2 LYS 77 HD2 LYS 77 18.886 5.988 -12.085 575 HD3 LYS 77 HD1 LYS 77 17.767 4.910 -12.923 576 HE2 LYS 77 HE2 LYS 77 17.187 6.777 -14.481 577 HE3 LYS 77 HE1 LYS 77 18.393 7.789 -13.676 578 HZ1 LYS 77 HZ1 LYS 77 18.950 5.222 -15.057 579 HZ2 LYS 77 HZ2 LYS 77 20.101 6.235 -14.347 580 HZ3 LYS 77 HZ3 LYS 77 19.236 6.756 -15.705 581 H ASN 78 HN ASN 78 14.295 2.954 -11.739 582 HA ASN 78 HA ASN 78 12.166 3.042 -12.527 583 HB2 ASN 78 HB2 ASN 78 11.641 3.665 -9.602 584 HB3 ASN 78 HB1 ASN 78 10.432 3.068 -10.730 585 HD21 ASN 78 HD21 ASN 78 10.578 0.890 -11.457 586 HD22 ASN 78 HD22 ASN 78 11.533 -0.275 -10.615 587 H THR 79 HN THR 79 12.935 5.070 -13.662 588 HA THR 79 HA THR 79 11.071 7.284 -13.090 589 HB THR 79 HB THR 79 13.973 7.638 -13.995 590 HG1 THR 79 HG1 THR 79 13.159 7.119 -11.602 591 HG21 THR 79 HG21 THR 79 11.882 9.716 -13.204 592 HG22 THR 79 HG22 THR 79 12.468 9.427 -14.846 593 HG23 THR 79 HG23 THR 79 13.567 10.051 -13.614 594 H VAL 80 HN VAL 80 9.965 7.970 -14.808 595 HA VAL 80 HA VAL 80 10.365 6.708 -17.435 596 HB VAL 80 HB VAL 80 7.876 8.198 -16.472 597 HG11 VAL 80 HG11 VAL 80 6.702 6.896 -18.226 598 HG12 VAL 80 HG12 VAL 80 8.225 6.134 -18.690 599 HG13 VAL 80 HG13 VAL 80 8.004 7.871 -18.917 600 HG21 VAL 80 HG21 VAL 80 6.880 6.019 -15.859 601 HG22 VAL 80 HG22 VAL 80 8.294 6.389 -14.869 602 HG23 VAL 80 HG23 VAL 80 8.421 5.220 -16.187 603 H TYR 81 HN TYR 81 10.432 8.004 -19.278 604 HA TYR 81 HA TYR 81 10.817 10.917 -18.900 605 HB2 TYR 81 HB2 TYR 81 12.483 9.096 -20.708 606 HB3 TYR 81 HB1 TYR 81 12.705 10.831 -20.490 607 HD1 TYR 81 HD1 TYR 81 13.461 11.698 -18.195 608 HD2 TYR 81 HD2 TYR 81 13.512 7.534 -19.183 609 HE1 TYR 81 HE1 TYR 81 14.975 11.265 -16.307 610 HE2 TYR 81 HE2 TYR 81 15.030 7.105 -17.300 611 HH TYR 81 HH TYR 81 15.645 9.421 -14.861 612 H LEU 82 HN LEU 82 9.955 12.219 -20.451 613 HA LEU 82 HA LEU 82 8.825 11.029 -22.931 614 HB2 LEU 82 HB2 LEU 82 7.004 11.627 -21.358 615 HB3 LEU 82 HB1 LEU 82 7.656 13.245 -21.182 616 HG LEU 82 HG LEU 82 7.129 13.687 -23.595 617 HD11 LEU 82 HD11 LEU 82 5.640 12.192 -24.838 618 HD12 LEU 82 HD12 LEU 82 5.740 10.995 -23.543 619 HD13 LEU 82 HD13 LEU 82 7.182 11.413 -24.475 620 HD21 LEU 82 HD21 LEU 82 4.700 13.950 -23.302 621 HD22 LEU 82 HD22 LEU 82 5.575 14.420 -21.847 622 HD23 LEU 82 HD23 LEU 82 4.739 12.865 -21.907 623 H GLN 83 HN GLN 83 10.547 11.605 -24.220 624 HA GLN 83 HA GLN 83 11.603 14.338 -24.221 625 HB2 GLN 83 HB2 GLN 83 13.231 12.504 -24.416 626 HB3 GLN 83 HB1 GLN 83 12.405 11.874 -25.835 627 HG2 GLN 83 HG2 GLN 83 14.448 13.078 -26.457 628 HG3 GLN 83 HG1 GLN 83 13.024 13.864 -27.125 629 HE21 GLN 83 HE21 GLN 83 12.428 15.931 -26.348 630 HE22 GLN 83 HE22 GLN 83 13.475 16.894 -25.368 631 H MET 84 HN MET 84 10.334 15.745 -25.220 632 HA MET 84 HA MET 84 8.969 15.072 -27.755 633 HB2 MET 84 HB2 MET 84 8.441 17.405 -25.857 634 HB3 MET 84 HB1 MET 84 7.474 16.939 -27.254 635 HG2 MET 84 HG2 MET 84 6.949 14.785 -26.081 636 HG3 MET 84 HG1 MET 84 7.775 15.418 -24.654 637 HE1 MET 84 HE1 MET 84 6.951 17.725 -23.412 638 HE2 MET 84 HE2 MET 84 5.444 18.542 -23.813 639 HE3 MET 84 HE3 MET 84 6.808 18.626 -24.925 640 H ASN 85 HN ASN 85 9.963 15.832 -29.545 641 HA ASN 85 HA ASN 85 11.753 18.200 -29.374 642 HB2 ASN 85 HB2 ASN 85 11.843 15.879 -31.351 643 HB3 ASN 85 HB1 ASN 85 12.944 17.255 -31.339 644 HD21 ASN 85 HD21 ASN 85 13.535 14.403 -31.074 645 HD22 ASN 85 HD22 ASN 85 14.365 14.222 -29.570 646 H SER 86 HN SER 86 11.700 19.734 -31.036 647 HA SER 86 HA SER 86 10.677 21.281 -32.299 648 HB2 SER 86 HB2 SER 86 11.114 19.670 -34.116 649 HB3 SER 86 HB1 SER 86 9.586 18.859 -33.785 650 HG SER 86 HG SER 86 9.996 21.460 -34.819 651 H LEU 87 HN LEU 87 9.539 21.718 -30.300 652 HA LEU 87 HA LEU 87 6.834 20.812 -29.924 653 HB2 LEU 87 HB2 LEU 87 8.679 22.656 -28.395 654 HB3 LEU 87 HB1 LEU 87 6.978 22.521 -27.959 655 HG LEU 87 HG LEU 87 8.935 20.180 -28.028 656 HD11 LEU 87 HD11 LEU 87 9.481 21.723 -26.210 657 HD12 LEU 87 HD12 LEU 87 8.833 20.208 -25.592 658 HD13 LEU 87 HD13 LEU 87 7.818 21.652 -25.623 659 HD21 LEU 87 HD21 LEU 87 7.110 18.941 -26.896 660 HD22 LEU 87 HD22 LEU 87 6.670 19.448 -28.520 661 HD23 LEU 87 HD23 LEU 87 6.034 20.323 -27.122 662 H LYS 88 HN LYS 88 5.116 22.383 -29.447 663 HA LYS 88 HA LYS 88 4.958 24.436 -31.584 664 HB2 LYS 88 HB2 LYS 88 2.898 22.275 -30.891 665 HB3 LYS 88 HB1 LYS 88 2.741 23.478 -32.171 666 HG2 LYS 88 HG2 LYS 88 4.510 22.468 -33.462 667 HG3 LYS 88 HG1 LYS 88 4.972 21.417 -32.127 668 HD2 LYS 88 HD2 LYS 88 2.304 21.230 -33.587 669 HD3 LYS 88 HD1 LYS 88 3.727 20.278 -34.007 670 HE2 LYS 88 HE2 LYS 88 2.348 18.865 -32.664 671 HE3 LYS 88 HE1 LYS 88 3.678 19.365 -31.622 672 HZ1 LYS 88 HZ1 LYS 88 1.036 20.699 -31.643 673 HZ2 LYS 88 HZ2 LYS 88 2.285 20.879 -30.514 674 HZ3 LYS 88 HZ3 LYS 88 1.431 19.428 -30.603 675 HA PRO 89 HA PRO 89 3.605 27.159 -28.394 676 HB2 PRO 89 HB2 PRO 89 1.533 28.608 -29.604 677 HB3 PRO 89 HB1 PRO 89 3.258 28.898 -29.881 678 HG2 PRO 89 HG2 PRO 89 1.319 27.242 -31.504 679 HG3 PRO 89 HG1 PRO 89 2.519 28.427 -32.065 680 HD2 PRO 89 HD2 PRO 89 3.073 25.830 -32.230 681 HD3 PRO 89 HD1 PRO 89 4.338 26.960 -31.682 682 H GLU 90 HN GLU 90 1.032 25.262 -29.875 683 HA GLU 90 HA GLU 90 -0.936 25.763 -27.818 684 HB2 GLU 90 HB2 GLU 90 -2.395 24.267 -29.023 685 HB3 GLU 90 HB1 GLU 90 -1.607 25.322 -30.183 686 HG2 GLU 90 HG2 GLU 90 -0.505 22.554 -29.664 687 HG3 GLU 90 HG1 GLU 90 -1.915 22.758 -30.693 688 H ASP 91 HN ASP 91 1.800 23.845 -27.867 689 HA ASP 91 HA ASP 91 0.852 21.723 -26.104 690 HB2 ASP 91 HB2 ASP 91 3.713 22.432 -26.915 691 HB3 ASP 91 HB1 ASP 91 3.218 20.975 -26.055 692 H THR 92 HN THR 92 0.790 24.706 -25.380 693 HA THR 92 HA THR 92 2.123 24.627 -22.788 694 HB THR 92 HB THR 92 0.154 26.647 -23.958 695 HG1 THR 92 HG1 THR 92 2.131 26.635 -25.062 696 HG21 THR 92 HG21 THR 92 1.888 26.841 -21.463 697 HG22 THR 92 HG22 THR 92 0.128 26.711 -21.485 698 HG23 THR 92 HG23 THR 92 0.916 28.149 -22.138 699 H ALA 93 HN ALA 93 1.250 22.914 -21.690 700 HA ALA 93 HA ALA 93 -1.500 22.938 -20.792 701 HB1 ALA 93 HB1 ALA 93 -2.124 20.750 -21.774 702 HB2 ALA 93 HB2 ALA 93 -0.590 20.686 -22.646 703 HB3 ALA 93 HB3 ALA 93 -1.781 21.928 -23.040 704 H VAL 94 HN VAL 94 -1.926 21.006 -19.354 705 HA VAL 94 HA VAL 94 0.438 20.367 -17.763 706 HB VAL 94 HB VAL 94 -1.533 21.154 -16.557 707 HG11 VAL 94 HG11 VAL 94 -3.622 19.861 -16.316 708 HG12 VAL 94 HG12 VAL 94 -3.053 18.717 -17.534 709 HG13 VAL 94 HG13 VAL 94 -3.371 20.392 -17.983 710 HG21 VAL 94 HG21 VAL 94 -0.954 18.245 -15.944 711 HG22 VAL 94 HG22 VAL 94 -1.683 19.402 -14.826 712 HG23 VAL 94 HG23 VAL 94 -0.026 19.641 -15.387 713 H TYR 95 HN TYR 95 1.624 18.750 -18.549 714 HA TYR 95 HA TYR 95 0.446 16.352 -19.748 715 HB2 TYR 95 HB2 TYR 95 3.295 17.386 -19.461 716 HB3 TYR 95 HB1 TYR 95 2.968 15.730 -19.948 717 HD1 TYR 95 HD1 TYR 95 3.046 15.335 -22.275 718 HD2 TYR 95 HD2 TYR 95 1.767 19.188 -20.920 719 HE1 TYR 95 HE1 TYR 95 2.801 16.078 -24.603 720 HE2 TYR 95 HE2 TYR 95 1.531 19.925 -23.254 721 HH TYR 95 HH TYR 95 2.480 19.296 -25.496 722 H LEU 96 HN LEU 96 -0.190 14.787 -18.405 723 HA LEU 96 HA LEU 96 1.187 14.413 -15.810 724 HB2 LEU 96 HB2 LEU 96 -0.912 13.551 -14.898 725 HB3 LEU 96 HB1 LEU 96 -1.116 15.160 -15.545 726 HG LEU 96 HG LEU 96 -2.053 13.829 -17.685 727 HD11 LEU 96 HD11 LEU 96 -2.651 11.861 -15.454 728 HD12 LEU 96 HD12 LEU 96 -1.627 11.574 -16.865 729 HD13 LEU 96 HD13 LEU 96 -3.354 11.842 -17.075 730 HD21 LEU 96 HD21 LEU 96 -3.330 15.502 -16.421 731 HD22 LEU 96 HD22 LEU 96 -3.733 14.297 -15.196 732 HD23 LEU 96 HD23 LEU 96 -4.342 14.121 -16.845 733 H CYS 97 HN CYS 97 1.746 12.359 -15.190 734 HA CYS 97 HA CYS 97 1.960 10.323 -17.274 735 HB2 CYS 97 HB2 CYS 97 3.944 10.884 -15.867 736 HB3 CYS 97 HB1 CYS 97 3.074 10.346 -14.434 737 HG CYS 97 HG CYS 97 3.617 8.230 -17.052 738 H ALA 98 HN ALA 98 1.352 8.105 -16.746 739 HA ALA 98 HA ALA 98 -0.782 7.750 -14.745 740 HB1 ALA 98 HB1 ALA 98 -2.147 6.500 -16.378 741 HB2 ALA 98 HB2 ALA 98 -0.980 6.862 -17.655 742 HB3 ALA 98 HB3 ALA 98 -1.904 8.166 -16.904 743 H ALA 99 HN ALA 99 -1.133 5.478 -14.250 744 HA ALA 99 HA ALA 99 0.852 3.511 -15.046 745 HB1 ALA 99 HB1 ALA 99 1.658 3.074 -12.762 746 HB2 ALA 99 HB2 ALA 99 0.685 4.414 -12.145 747 HB3 ALA 99 HB3 ALA 99 2.026 4.730 -13.248 748 H GLY 100 HN GLY 100 0.418 1.387 -13.881 749 HA2 GLY 100 HA2 GLY 100 -1.523 0.546 -12.304 750 HA3 GLY 100 HA1 GLY 100 -2.455 0.864 -13.766 751 H VAL 101 HN VAL 101 -2.967 -1.351 -13.816 752 HA VAL 101 HA VAL 101 -0.986 -2.953 -15.308 753 HB VAL 101 HB VAL 101 -2.958 -4.155 -13.284 754 HG11 VAL 101 HG11 VAL 101 -2.443 -5.657 -15.177 755 HG12 VAL 101 HG12 VAL 101 -1.755 -6.288 -13.680 756 HG13 VAL 101 HG13 VAL 101 -0.714 -5.487 -14.861 757 HG21 VAL 101 HG21 VAL 101 -1.013 -4.711 -11.843 758 HG22 VAL 101 HG22 VAL 101 -1.199 -2.967 -12.032 759 HG23 VAL 101 HG23 VAL 101 0.051 -3.821 -12.937 760 H TRP 102 HN TRP 102 -1.889 -3.877 -17.144 761 HA TRP 102 HA TRP 102 -4.461 -3.095 -18.069 762 HB2 TRP 102 HB2 TRP 102 -4.034 -4.632 -19.989 763 HB3 TRP 102 HB1 TRP 102 -2.683 -3.552 -19.685 764 HD1 TRP 102 HD1 TRP 102 -3.613 -7.284 -19.602 765 HE1 TRP 102 HE1 TRP 102 -1.461 -8.667 -19.398 766 HE3 TRP 102 HE3 TRP 102 -0.256 -3.500 -18.756 767 HZ2 TRP 102 HZ2 TRP 102 1.285 -8.244 -18.949 768 HZ3 TRP 102 HZ3 TRP 102 2.118 -4.079 -18.446 769 HH2 TRP 102 HH2 TRP 102 2.874 -6.407 -18.539 770 H ARG 103 HN ARG 103 -6.284 -4.425 -18.466 771 HA ARG 103 HA ARG 103 -7.040 -5.945 -16.167 772 HB2 ARG 103 HB2 ARG 103 -8.534 -5.335 -18.754 773 HB3 ARG 103 HB1 ARG 103 -9.270 -6.033 -17.308 774 HG2 ARG 103 HG2 ARG 103 -8.795 -3.984 -16.038 775 HG3 ARG 103 HG1 ARG 103 -7.960 -3.285 -17.429 776 HD2 ARG 103 HD2 ARG 103 -10.059 -3.298 -18.709 777 HD3 ARG 103 HD1 ARG 103 -10.900 -4.052 -17.350 778 HE ARG 103 HE ARG 103 -9.703 -1.614 -16.524 779 HH11 ARG 103 HH11 ARG 103 -12.419 -2.819 -18.409 780 HH12 ARG 103 HH12 ARG 103 -13.377 -1.400 -18.147 781 HH21 ARG 103 HH21 ARG 103 -10.999 0.223 -16.178 782 HH22 ARG 103 HH22 ARG 103 -12.580 0.305 -16.873 783 H SER 104 HN SER 104 -8.373 -7.992 -16.442 784 HA SER 104 HA SER 104 -6.941 -10.148 -17.596 785 HB2 SER 104 HB2 SER 104 -9.873 -10.077 -16.750 786 HB3 SER 104 HB1 SER 104 -8.855 -11.517 -16.896 787 HG SER 104 HG SER 104 -9.138 -9.818 -14.839 788 H SER 105 HN SER 105 -9.428 -8.027 -18.811 789 HA SER 105 HA SER 105 -10.183 -9.447 -21.171 790 HB2 SER 105 HB2 SER 105 -11.574 -7.646 -20.218 791 HB3 SER 105 HB1 SER 105 -10.290 -6.472 -20.487 792 HG SER 105 HG SER 105 -12.140 -7.494 -22.236 793 H GLY 106 HN GLY 106 -7.394 -7.599 -20.292 794 HA2 GLY 106 HA2 GLY 106 -5.380 -7.455 -21.529 795 HA3 GLY 106 HA1 GLY 106 -6.278 -7.660 -23.024 796 H TRP 107 HN TRP 107 -8.219 -5.595 -21.639 797 HA TRP 107 HA TRP 107 -7.369 -3.263 -23.006 798 HB2 TRP 107 HB2 TRP 107 -9.743 -3.660 -22.617 799 HB3 TRP 107 HB1 TRP 107 -9.512 -3.700 -20.873 800 HD1 TRP 107 HD1 TRP 107 -10.069 -1.471 -19.662 801 HE1 TRP 107 HE1 TRP 107 -10.381 0.981 -20.349 802 HE3 TRP 107 HE3 TRP 107 -8.747 -1.827 -24.598 803 HZ2 TRP 107 HZ2 TRP 107 -10.111 2.565 -22.659 804 HZ3 TRP 107 HZ3 TRP 107 -8.800 0.212 -25.978 805 HH2 TRP 107 HH2 TRP 107 -9.469 2.366 -25.029 806 H ASP 108 HN ASP 108 -5.674 -2.037 -22.407 807 HA ASP 108 HA ASP 108 -4.640 -1.917 -19.748 808 HB2 ASP 108 HB2 ASP 108 -3.141 -1.617 -21.684 809 HB3 ASP 108 HB1 ASP 108 -4.024 -0.168 -22.167 810 H THR 109 HN THR 109 -4.680 -0.153 -18.309 811 HA THR 109 HA THR 109 -6.704 1.918 -18.674 812 HB THR 109 HB THR 109 -8.075 0.044 -17.920 813 HG1 THR 109 HG1 THR 109 -7.770 2.322 -16.476 814 HG21 THR 109 HG21 THR 109 -6.363 -1.344 -16.796 815 HG22 THR 109 HG22 THR 109 -7.756 -1.075 -15.746 816 HG23 THR 109 HG23 THR 109 -6.270 -0.164 -15.479 817 HA PRO 110 HA PRO 110 -3.642 3.954 -15.969 818 HB2 PRO 110 HB2 PRO 110 -4.878 6.393 -15.774 819 HB3 PRO 110 HB1 PRO 110 -3.974 5.894 -17.211 820 HG2 PRO 110 HG2 PRO 110 -6.952 5.865 -16.731 821 HG3 PRO 110 HG1 PRO 110 -6.061 6.366 -18.184 822 HD2 PRO 110 HD2 PRO 110 -7.260 3.915 -17.949 823 HD3 PRO 110 HD1 PRO 110 -5.806 4.177 -18.935 824 H ASP 111 HN ASP 111 -4.222 2.424 -14.297 825 HA ASP 111 HA ASP 111 -6.399 2.757 -12.474 826 HB2 ASP 111 HB2 ASP 111 -5.251 0.593 -12.871 827 HB3 ASP 111 HB1 ASP 111 -3.768 1.241 -12.182 828 H TYR 112 HN TYR 112 -3.355 4.271 -12.789 829 HA TYR 112 HA TYR 112 -3.804 5.934 -10.409 830 HB2 TYR 112 HB2 TYR 112 -1.076 4.883 -11.329 831 HB3 TYR 112 HB1 TYR 112 -1.324 6.067 -10.050 832 HD1 TYR 112 HD1 TYR 112 -2.557 5.337 -7.921 833 HD2 TYR 112 HD2 TYR 112 -1.168 2.536 -10.842 834 HE1 TYR 112 HE1 TYR 112 -2.717 3.526 -6.265 835 HE2 TYR 112 HE2 TYR 112 -1.327 0.735 -9.183 836 HH TYR 112 HH TYR 112 -2.980 1.042 -6.267 837 H TRP 113 HN TRP 113 -3.175 8.099 -10.717 838 HA TRP 113 HA TRP 113 -2.122 8.915 -13.366 839 HB2 TRP 113 HB2 TRP 113 -4.251 10.361 -11.705 840 HB3 TRP 113 HB1 TRP 113 -3.467 11.046 -13.125 841 HD1 TRP 113 HD1 TRP 113 -4.203 10.068 -15.539 842 HE1 TRP 113 HE1 TRP 113 -6.301 8.786 -16.284 843 HE3 TRP 113 HE3 TRP 113 -5.917 8.555 -10.961 844 HZ2 TRP 113 HZ2 TRP 113 -8.397 7.316 -15.110 845 HZ3 TRP 113 HZ3 TRP 113 -7.973 7.206 -10.858 846 HH2 TRP 113 HH2 TRP 113 -9.187 6.601 -12.891 847 H GLY 114 HN GLY 114 -1.019 11.022 -13.277 848 HA2 GLY 114 HA2 GLY 114 0.746 11.162 -10.932 849 HA3 GLY 114 HA1 GLY 114 1.033 11.858 -12.525 850 H GLN 115 HN GLN 115 1.599 13.457 -10.598 851 HA GLN 115 HA GLN 115 -0.477 15.092 -9.529 852 HB2 GLN 115 HB2 GLN 115 1.366 16.660 -8.948 853 HB3 GLN 115 HB1 GLN 115 1.737 15.003 -8.480 854 HG2 GLN 115 HG2 GLN 115 3.203 14.754 -10.441 855 HG3 GLN 115 HG1 GLN 115 2.804 16.391 -10.966 856 HE21 GLN 115 HE21 GLN 115 3.699 18.155 -9.842 857 HE22 GLN 115 HE22 GLN 115 5.026 17.967 -8.754 858 H GLY 116 HN GLY 116 1.168 15.005 -12.577 859 HA2 GLY 116 HA2 GLY 116 0.719 16.064 -14.558 860 HA3 GLY 116 HA1 GLY 116 -0.505 17.035 -13.752 861 H THR 117 HN THR 117 2.551 17.084 -15.151 862 HA THR 117 HA THR 117 3.429 19.481 -13.690 863 HB THR 117 HB THR 117 5.115 17.735 -13.880 864 HG1 THR 117 HG1 THR 117 5.525 20.173 -14.315 865 HG21 THR 117 HG21 THR 117 4.914 18.018 -16.898 866 HG22 THR 117 HG22 THR 117 4.412 16.612 -15.956 867 HG23 THR 117 HG23 THR 117 6.117 17.062 -16.030 868 H GLN 118 HN GLN 118 2.971 21.410 -14.472 869 HA GLN 118 HA GLN 118 1.663 21.816 -17.007 870 HB2 GLN 118 HB2 GLN 118 2.368 23.587 -14.652 871 HB3 GLN 118 HB1 GLN 118 1.835 24.329 -16.154 872 HG2 GLN 118 HG2 GLN 118 0.150 22.177 -14.875 873 HG3 GLN 118 HG1 GLN 118 0.118 23.817 -14.235 874 HE21 GLN 118 HE21 GLN 118 0.463 23.150 -17.718 875 HE22 GLN 118 HE22 GLN 118 -1.090 23.744 -18.155 876 H VAL 119 HN VAL 119 2.985 21.652 -18.759 877 HA VAL 119 HA VAL 119 5.530 23.111 -18.884 878 HB VAL 119 HB VAL 119 5.928 22.068 -21.017 879 HG11 VAL 119 HG11 VAL 119 4.650 20.013 -19.172 880 HG12 VAL 119 HG12 VAL 119 6.316 20.589 -19.106 881 HG13 VAL 119 HG13 VAL 119 5.769 19.646 -20.491 882 HG21 VAL 119 HG21 VAL 119 3.708 22.331 -22.055 883 HG22 VAL 119 HG22 VAL 119 3.053 21.062 -21.022 884 HG23 VAL 119 HG23 VAL 119 4.279 20.670 -22.229 885 H THR 120 HN THR 120 5.899 24.790 -20.393 886 HA THR 120 HA THR 120 3.565 25.994 -21.753 887 HB THR 120 HB THR 120 5.678 27.537 -20.164 888 HG1 THR 120 HG1 THR 120 3.131 26.628 -19.584 889 HG21 THR 120 HG21 THR 120 3.293 28.613 -21.733 890 HG22 THR 120 HG22 THR 120 4.990 28.826 -22.170 891 HG23 THR 120 HG23 THR 120 4.359 29.570 -20.699 892 H VAL 121 HN VAL 121 4.143 25.475 -23.854 893 HA VAL 121 HA VAL 121 6.847 26.194 -24.779 894 HB VAL 121 HB VAL 121 4.510 25.118 -26.434 895 HG11 VAL 121 HG11 VAL 121 7.491 25.270 -27.055 896 HG12 VAL 121 HG12 VAL 121 6.232 26.284 -27.766 897 HG13 VAL 121 HG13 VAL 121 6.256 24.551 -28.096 898 HG21 VAL 121 HG21 VAL 121 5.112 23.484 -24.673 899 HG22 VAL 121 HG22 VAL 121 6.804 23.546 -25.176 900 HG23 VAL 121 HG23 VAL 121 5.583 22.892 -26.269 901 H SER 122 HN SER 122 6.912 28.438 -24.555 902 HA SER 122 HA SER 122 4.861 30.206 -25.457 903 HB2 SER 122 HB2 SER 122 6.662 30.782 -23.801 904 HB3 SER 122 HB1 SER 122 7.832 30.821 -25.122 905 HG SER 122 HG SER 122 6.828 32.886 -24.455 906 H SER 123 HN SER 123 4.730 31.470 -27.358 907 HA SER 123 HA SER 123 5.252 30.042 -29.756 908 HB2 SER 123 HB2 SER 123 4.242 32.899 -29.398 909 HB3 SER 123 HB1 SER 123 4.053 31.902 -30.841 910 HG SER 123 HG SER 123 2.434 30.932 -29.938 911 H LEU 124 HN LEU 124 7.475 29.847 -30.089 912 HA LEU 124 HA LEU 124 9.535 30.282 -30.906 913 HB2 LEU 124 HB2 LEU 124 7.975 32.572 -32.126 914 HB3 LEU 124 HB1 LEU 124 9.708 32.528 -32.339 915 HG LEU 124 HG LEU 124 8.670 31.631 -34.316 916 HD11 LEU 124 HD11 LEU 124 9.720 29.441 -34.497 917 HD12 LEU 124 HD12 LEU 124 9.887 29.354 -32.742 918 HD13 LEU 124 HD13 LEU 124 10.765 30.584 -33.654 919 HD21 LEU 124 HD21 LEU 124 7.222 29.643 -34.325 920 HD22 LEU 124 HD22 LEU 124 6.507 30.977 -33.423 921 HD23 LEU 124 HD23 LEU 124 7.237 29.625 -32.558 922 H GLU 125 HN GLU 125 8.615 31.643 -28.250 923 HA GLU 125 HA GLU 125 10.604 33.789 -28.026 924 HB2 GLU 125 HB2 GLU 125 8.372 34.194 -27.068 925 HB3 GLU 125 HB1 GLU 125 8.544 32.787 -26.023 926 HG2 GLU 125 HG2 GLU 125 10.530 33.927 -24.950 927 HG3 GLU 125 HG1 GLU 125 10.149 35.361 -25.905 928 H HIS 126 HN HIS 126 12.570 32.798 -28.010 929 HA HIS 126 HA HIS 126 13.320 30.728 -26.129 930 HB2 HIS 126 HB2 HIS 126 14.516 31.033 -28.306 931 HB3 HIS 126 HB1 HIS 126 15.047 32.630 -27.797 932 HD1 HIS 126 HD1 HIS 126 15.839 29.027 -27.498 933 HD2 HIS 126 HD2 HIS 126 17.142 32.594 -25.839 934 HE1 HIS 126 HE1 HIS 126 18.005 28.475 -26.367 935 HE2 HIS 126 HE2 HIS 126 18.878 30.697 -25.569 936 H HIS 127 HN HIS 127 12.389 31.669 -24.260 937 HA HIS 127 HA HIS 127 12.963 34.304 -23.326 938 HB2 HIS 127 HB2 HIS 127 10.873 32.926 -22.813 939 HB3 HIS 127 HB1 HIS 127 11.840 31.991 -21.687 940 HD1 HIS 127 HD1 HIS 127 9.786 34.969 -21.941 941 HD2 HIS 127 HD2 HIS 127 12.860 33.677 -19.454 942 HE1 HIS 127 HE1 HIS 127 9.670 36.440 -19.913 943 HE2 HIS 127 HE2 HIS 127 11.632 35.748 -18.504 944 H HIS 128 HN HIS 128 14.053 31.062 -22.390 945 HA HIS 128 HA HIS 128 15.940 30.228 -21.522 946 HB2 HIS 128 HB2 HIS 128 17.068 31.342 -23.344 947 HB3 HIS 128 HB1 HIS 128 17.047 32.883 -22.502 948 HD1 HIS 128 HD1 HIS 128 18.979 33.397 -20.954 949 HD2 HIS 128 HD2 HIS 128 18.996 29.465 -22.314 950 HE1 HIS 128 HE1 HIS 128 21.208 32.463 -20.275 951 HE2 HIS 128 HE2 HIS 128 21.140 30.049 -20.995 952 H HIS 129 HN HIS 129 15.309 30.009 -19.396 953 HA HIS 129 HA HIS 129 16.865 31.533 -17.491 954 HB2 HIS 129 HB2 HIS 129 14.707 32.841 -17.634 955 HB3 HIS 129 HB1 HIS 129 13.829 31.405 -17.117 956 HD1 HIS 129 HD1 HIS 129 16.021 34.149 -15.840 957 HD2 HIS 129 HD2 HIS 129 14.122 30.765 -14.370 958 HE1 HIS 129 HE1 HIS 129 16.186 34.320 -13.340 959 HE2 HIS 129 HE2 HIS 129 15.213 32.158 -12.487 960 H HIS 130 HN HIS 130 17.823 30.010 -16.320 961 HA HIS 130 HA HIS 130 16.537 27.407 -15.829 962 HB2 HIS 130 HB2 HIS 130 18.747 26.602 -15.133 963 HB3 HIS 130 HB1 HIS 130 18.861 27.373 -16.702 964 HD1 HIS 130 HD1 HIS 130 20.296 27.438 -13.326 965 HD2 HIS 130 HD2 HIS 130 20.185 29.985 -16.602 966 HE1 HIS 130 HE1 HIS 130 22.118 29.117 -12.931 967 HE2 HIS 130 HE2 HIS 130 21.915 30.740 -14.838 968 H HIS 131 HN HIS 131 15.501 27.055 -13.981 969 HA HIS 131 HA HIS 131 14.614 27.211 -11.939 970 HB2 HIS 131 HB2 HIS 131 16.823 26.465 -11.173 971 HB3 HIS 131 HB1 HIS 131 17.405 28.124 -11.126 972 HD1 HIS 131 HD1 HIS 131 16.940 29.455 -9.013 973 HD2 HIS 131 HD2 HIS 131 14.902 25.838 -9.099 974 HE1 HIS 131 HE1 HIS 131 15.982 29.175 -6.713 975 HE2 HIS 131 HE2 HIS 131 14.802 26.954 -6.764 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 1.180 0.846 1.637 2 H2 MET 1 HT2 MET 1 1.615 0.191 0.144 3 H3 MET 1 HT3 MET 1 0.045 0.763 0.385 4 HA MET 1 HA MET 1 0.846 3.008 0.651 5 HB2 MET 1 HB2 MET 1 3.125 2.310 1.518 6 HB3 MET 1 HB1 MET 1 3.570 1.854 -0.121 7 HG2 MET 1 HG2 MET 1 4.505 4.028 0.431 8 HG3 MET 1 HG1 MET 1 3.284 4.209 -0.833 9 HE1 MET 1 HE1 MET 1 3.040 7.486 1.510 10 HE2 MET 1 HE2 MET 1 3.435 6.934 -0.119 11 HE3 MET 1 HE3 MET 1 4.506 6.550 1.232 12 H GLN 2 HN GLN 2 -0.308 3.657 -1.097 13 HA GLN 2 HA GLN 2 -0.444 2.180 -3.527 14 HB2 GLN 2 HB2 GLN 2 -1.580 4.913 -2.818 15 HB3 GLN 2 HB1 GLN 2 -1.997 4.008 -4.275 16 HG2 GLN 2 HG2 GLN 2 -2.897 2.174 -2.845 17 HG3 GLN 2 HG1 GLN 2 -2.542 3.136 -1.411 18 HE21 GLN 2 HE21 GLN 2 -4.723 3.185 -0.782 19 HE22 GLN 2 HE22 GLN 2 -5.915 4.109 -1.623 20 H LEU 3 HN LEU 3 -0.537 3.579 -5.677 21 HA LEU 3 HA LEU 3 2.142 3.968 -6.450 22 HB2 LEU 3 HB2 LEU 3 -0.524 4.268 -7.789 23 HB3 LEU 3 HB1 LEU 3 0.822 5.083 -8.551 24 HG LEU 3 HG LEU 3 0.434 2.910 -9.582 25 HD11 LEU 3 HD11 LEU 3 2.690 3.805 -9.559 26 HD12 LEU 3 HD12 LEU 3 2.715 2.046 -9.484 27 HD13 LEU 3 HD13 LEU 3 3.035 2.995 -8.027 28 HD21 LEU 3 HD21 LEU 3 -0.553 1.711 -7.678 29 HD22 LEU 3 HD22 LEU 3 1.014 1.665 -6.868 30 HD23 LEU 3 HD23 LEU 3 0.776 0.792 -8.386 31 H GLN 4 HN GLN 4 3.403 5.610 -5.951 32 HA GLN 4 HA GLN 4 2.413 8.387 -5.907 33 HB2 GLN 4 HB2 GLN 4 5.157 7.331 -5.082 34 HB3 GLN 4 HB1 GLN 4 4.503 8.936 -4.761 35 HG2 GLN 4 HG2 GLN 4 2.884 7.991 -3.197 36 HG3 GLN 4 HG1 GLN 4 3.401 6.353 -3.619 37 HE21 GLN 4 HE21 GLN 4 4.315 9.309 -1.977 38 HE22 GLN 4 HE22 GLN 4 5.584 8.622 -1.027 39 H LEU 5 HN LEU 5 2.859 9.637 -7.654 40 HA LEU 5 HA LEU 5 5.067 8.890 -9.483 41 HB2 LEU 5 HB2 LEU 5 2.380 10.047 -10.346 42 HB3 LEU 5 HB1 LEU 5 3.739 9.699 -11.392 43 HG LEU 5 HG LEU 5 3.376 7.203 -10.588 44 HD11 LEU 5 HD11 LEU 5 1.717 7.632 -8.845 45 HD12 LEU 5 HD12 LEU 5 1.046 6.600 -10.105 46 HD13 LEU 5 HD13 LEU 5 0.605 8.309 -10.037 47 HD21 LEU 5 HD21 LEU 5 3.108 7.946 -12.902 48 HD22 LEU 5 HD22 LEU 5 1.472 8.508 -12.553 49 HD23 LEU 5 HD23 LEU 5 1.851 6.784 -12.469 50 H VAL 6 HN VAL 6 6.545 10.481 -9.597 51 HA VAL 6 HA VAL 6 5.762 13.284 -9.004 52 HB VAL 6 HB VAL 6 8.536 12.030 -8.664 53 HG11 VAL 6 HG11 VAL 6 9.121 14.154 -7.512 54 HG12 VAL 6 HG12 VAL 6 7.517 14.794 -7.881 55 HG13 VAL 6 HG13 VAL 6 8.645 14.431 -9.190 56 HG21 VAL 6 HG21 VAL 6 8.165 12.190 -6.217 57 HG22 VAL 6 HG22 VAL 6 6.989 11.110 -6.972 58 HG23 VAL 6 HG23 VAL 6 6.512 12.743 -6.497 59 H GLU 7 HN GLU 7 5.372 14.085 -11.013 60 HA GLU 7 HA GLU 7 7.142 13.567 -13.273 61 HB2 GLU 7 HB2 GLU 7 4.656 15.341 -13.098 62 HB3 GLU 7 HB1 GLU 7 5.572 15.033 -14.561 63 HG2 GLU 7 HG2 GLU 7 3.878 13.526 -14.864 64 HG3 GLU 7 HG1 GLU 7 5.028 12.501 -14.024 65 H SER 8 HN SER 8 8.389 15.139 -14.300 66 HA SER 8 HA SER 8 8.884 17.748 -13.076 67 HB2 SER 8 HB2 SER 8 11.085 15.634 -13.321 68 HB3 SER 8 HB1 SER 8 11.314 17.298 -12.784 69 HG SER 8 HG SER 8 9.399 16.197 -11.285 70 H GLY 9 HN GLY 9 10.638 18.915 -14.383 71 HA2 GLY 9 HA2 GLY 9 11.737 19.370 -16.436 72 HA3 GLY 9 HA1 GLY 9 10.741 18.166 -17.245 73 H GLY 10 HN GLY 10 8.947 20.126 -15.138 74 HA2 GLY 10 HA2 GLY 10 7.433 21.347 -17.249 75 HA3 GLY 10 HA1 GLY 10 7.216 21.578 -15.523 76 H GLY 11 HN GLY 11 8.235 23.010 -18.374 77 HA2 GLY 11 HA2 GLY 11 8.881 25.503 -17.049 78 HA3 GLY 11 HA1 GLY 11 10.233 24.773 -17.919 79 H LEU 12 HN LEU 12 9.771 27.055 -18.889 80 HA LEU 12 HA LEU 12 7.785 27.001 -21.031 81 HB2 LEU 12 HB2 LEU 12 8.283 29.071 -19.599 82 HB3 LEU 12 HB1 LEU 12 9.813 29.137 -20.427 83 HG LEU 12 HG LEU 12 8.446 29.220 -22.623 84 HD11 LEU 12 HD11 LEU 12 6.220 30.199 -22.447 85 HD12 LEU 12 HD12 LEU 12 6.281 30.062 -20.689 86 HD13 LEU 12 HD13 LEU 12 6.288 28.608 -21.691 87 HD21 LEU 12 HD21 LEU 12 8.443 31.629 -20.784 88 HD22 LEU 12 HD22 LEU 12 8.252 31.652 -22.540 89 HD23 LEU 12 HD23 LEU 12 9.769 31.109 -21.826 90 H VAL 13 HN VAL 13 8.315 26.263 -23.021 91 HA VAL 13 HA VAL 13 11.079 26.646 -24.029 92 HB VAL 13 HB VAL 13 10.799 24.584 -25.456 93 HG11 VAL 13 HG11 VAL 13 12.116 24.458 -23.372 94 HG12 VAL 13 HG12 VAL 13 11.285 22.931 -23.678 95 HG13 VAL 13 HG13 VAL 13 10.658 24.049 -22.463 96 HG21 VAL 13 HG21 VAL 13 9.048 22.917 -24.880 97 HG22 VAL 13 HG22 VAL 13 8.339 24.428 -25.460 98 HG23 VAL 13 HG23 VAL 13 8.345 24.061 -23.733 99 H GLN 14 HN GLN 14 11.205 27.032 -26.297 100 HA GLN 14 HA GLN 14 9.091 28.594 -27.459 101 HB2 GLN 14 HB2 GLN 14 10.689 28.726 -29.421 102 HB3 GLN 14 HB1 GLN 14 11.390 29.230 -27.884 103 HG2 GLN 14 HG2 GLN 14 12.509 27.063 -27.659 104 HG3 GLN 14 HG1 GLN 14 11.802 26.518 -29.180 105 HE21 GLN 14 HE21 GLN 14 12.602 27.359 -31.126 106 HE22 GLN 14 HE22 GLN 14 14.096 28.213 -31.197 107 H ALA 15 HN ALA 15 7.778 28.071 -29.228 108 HA ALA 15 HA ALA 15 7.059 25.408 -29.820 109 HB1 ALA 15 HB1 ALA 15 5.522 27.292 -30.150 110 HB2 ALA 15 HB2 ALA 15 5.726 26.399 -31.658 111 HB3 ALA 15 HB3 ALA 15 6.558 27.937 -31.424 112 H GLY 16 HN GLY 16 8.311 23.975 -30.834 113 HA2 GLY 16 HA2 GLY 16 9.363 23.232 -32.897 114 HA3 GLY 16 HA1 GLY 16 10.113 24.815 -33.056 115 H GLY 17 HN GLY 17 10.610 24.760 -30.028 116 HA2 GLY 17 HA2 GLY 17 13.198 23.507 -29.986 117 HA3 GLY 17 HA1 GLY 17 12.368 24.245 -28.624 118 H SER 18 HN SER 18 13.616 22.199 -27.755 119 HA SER 18 HA SER 18 11.778 19.865 -27.742 120 HB2 SER 18 HB2 SER 18 13.847 18.442 -27.428 121 HB3 SER 18 HB1 SER 18 13.750 19.233 -29.002 122 HG SER 18 HG SER 18 15.138 20.900 -28.064 123 H LEU 19 HN LEU 19 11.645 18.712 -25.778 124 HA LEU 19 HA LEU 19 12.810 19.741 -23.327 125 HB2 LEU 19 HB2 LEU 19 10.818 21.195 -23.666 126 HB3 LEU 19 HB1 LEU 19 9.798 19.776 -23.803 127 HG LEU 19 HG LEU 19 10.296 19.201 -21.424 128 HD11 LEU 19 HD11 LEU 19 12.499 20.233 -21.184 129 HD12 LEU 19 HD12 LEU 19 11.394 20.816 -19.941 130 HD13 LEU 19 HD13 LEU 19 11.783 21.843 -21.324 131 HD21 LEU 19 HD21 LEU 19 9.155 21.989 -21.806 132 HD22 LEU 19 HD22 LEU 19 8.908 20.946 -20.400 133 HD23 LEU 19 HD23 LEU 19 8.270 20.468 -21.972 134 H ARG 20 HN ARG 20 13.108 18.082 -21.927 135 HA ARG 20 HA ARG 20 11.787 15.488 -22.441 136 HB2 ARG 20 HB2 ARG 20 14.248 15.435 -22.670 137 HB3 ARG 20 HB1 ARG 20 14.429 16.073 -21.036 138 HG2 ARG 20 HG2 ARG 20 13.428 14.023 -20.107 139 HG3 ARG 20 HG1 ARG 20 13.178 13.391 -21.739 140 HD2 ARG 20 HD2 ARG 20 15.874 14.016 -20.478 141 HD3 ARG 20 HD1 ARG 20 15.173 12.402 -20.647 142 HE ARG 20 HE ARG 20 15.332 13.714 -23.170 143 HH11 ARG 20 HH11 ARG 20 17.394 12.076 -20.837 144 HH12 ARG 20 HH12 ARG 20 18.530 11.566 -22.041 145 HH21 ARG 20 HH21 ARG 20 16.825 13.032 -24.727 146 HH22 ARG 20 HH22 ARG 20 18.202 12.095 -24.241 147 H LEU 21 HN LEU 21 10.367 14.835 -21.017 148 HA LEU 21 HA LEU 21 10.124 16.001 -18.341 149 HB2 LEU 21 HB2 LEU 21 8.257 14.199 -19.949 150 HB3 LEU 21 HB1 LEU 21 7.928 14.746 -18.320 151 HG LEU 21 HG LEU 21 6.614 16.131 -19.743 152 HD11 LEU 21 HD11 LEU 21 7.452 18.384 -19.393 153 HD12 LEU 21 HD12 LEU 21 9.066 17.756 -19.054 154 HD13 LEU 21 HD13 LEU 21 7.723 17.375 -17.973 155 HD21 LEU 21 HD21 LEU 21 7.433 17.361 -21.699 156 HD22 LEU 21 HD22 LEU 21 7.678 15.626 -21.891 157 HD23 LEU 21 HD23 LEU 21 9.043 16.666 -21.480 158 H SER 22 HN SER 22 9.795 14.526 -16.507 159 HA SER 22 HA SER 22 10.671 11.743 -16.782 160 HB2 SER 22 HB2 SER 22 12.365 12.050 -14.924 161 HB3 SER 22 HB1 SER 22 12.801 12.880 -16.417 162 HG SER 22 HG SER 22 11.547 14.098 -14.168 163 H CYS 23 HN CYS 23 9.301 10.534 -15.596 164 HA CYS 23 HA CYS 23 8.051 11.636 -13.154 165 HB2 CYS 23 HB2 CYS 23 6.394 11.178 -14.932 166 HB3 CYS 23 HB1 CYS 23 6.943 9.506 -15.028 167 HG CYS 23 HG CYS 23 5.172 11.012 -12.521 168 H VAL 24 HN VAL 24 9.144 10.844 -11.465 169 HA VAL 24 HA VAL 24 10.391 8.215 -11.505 170 HB VAL 24 HB VAL 24 10.255 10.155 -9.158 171 HG11 VAL 24 HG11 VAL 24 12.311 8.989 -8.403 172 HG12 VAL 24 HG12 VAL 24 12.205 7.907 -9.795 173 HG13 VAL 24 HG13 VAL 24 10.948 7.876 -8.555 174 HG21 VAL 24 HG21 VAL 24 12.399 10.067 -11.326 175 HG22 VAL 24 HG22 VAL 24 12.459 11.044 -9.855 176 HG23 VAL 24 HG23 VAL 24 11.229 11.369 -11.078 177 H ALA 25 HN ALA 25 9.471 6.434 -10.675 178 HA ALA 25 HA ALA 25 6.744 6.557 -9.670 179 HB1 ALA 25 HB1 ALA 25 6.694 4.140 -10.155 180 HB2 ALA 25 HB2 ALA 25 8.420 4.170 -10.537 181 HB3 ALA 25 HB3 ALA 25 7.274 5.053 -11.548 182 H SER 26 HN SER 26 6.862 7.121 -7.561 183 HA SER 26 HA SER 26 6.793 6.819 -5.348 184 HB2 SER 26 HB2 SER 26 5.644 4.716 -6.003 185 HB3 SER 26 HB1 SER 26 7.183 3.868 -5.988 186 HG SER 26 HG SER 26 7.332 4.243 -3.773 187 H GLY 27 HN GLY 27 9.191 7.698 -6.345 188 HA2 GLY 27 HA2 GLY 27 11.194 8.354 -5.352 189 HA3 GLY 27 HA1 GLY 27 11.012 7.083 -4.149 190 H ARG 28 HN ARG 28 11.115 4.803 -5.176 191 HA ARG 28 HA ARG 28 12.604 4.444 -7.615 192 HB2 ARG 28 HB2 ARG 28 14.382 4.992 -5.840 193 HB3 ARG 28 HB1 ARG 28 13.946 3.485 -5.040 194 HG2 ARG 28 HG2 ARG 28 14.634 2.211 -7.026 195 HG3 ARG 28 HG1 ARG 28 14.984 3.710 -7.884 196 HD2 ARG 28 HD2 ARG 28 16.734 4.214 -6.158 197 HD3 ARG 28 HD1 ARG 28 16.438 2.619 -5.456 198 HE ARG 28 HE ARG 28 17.008 1.789 -7.821 199 HH11 ARG 28 HH11 ARG 28 18.565 4.598 -6.364 200 HH12 ARG 28 HH12 ARG 28 20.011 4.411 -7.302 201 HH21 ARG 28 HH21 ARG 28 18.903 1.582 -9.025 202 HH22 ARG 28 HH22 ARG 28 20.209 2.703 -8.795 203 H THR 29 HN THR 29 10.196 3.558 -5.723 204 HA THR 29 HA THR 29 10.582 0.728 -5.318 205 HB THR 29 HB THR 29 7.985 2.309 -5.031 206 HG1 THR 29 HG1 THR 29 10.051 1.992 -3.086 207 HG21 THR 29 HG21 THR 29 9.009 -0.135 -3.527 208 HG22 THR 29 HG22 THR 29 7.777 -0.159 -4.795 209 HG23 THR 29 HG23 THR 29 7.465 0.675 -3.270 210 H PHE 30 HN PHE 30 9.498 -0.958 -6.395 211 HA PHE 30 HA PHE 30 8.445 -0.326 -9.082 212 HB2 PHE 30 HB2 PHE 30 10.498 -1.777 -8.997 213 HB3 PHE 30 HB1 PHE 30 9.603 -2.973 -8.065 214 HD1 PHE 30 HD1 PHE 30 7.752 -4.291 -9.174 215 HD2 PHE 30 HD2 PHE 30 10.180 -1.562 -11.397 216 HE1 PHE 30 HE1 PHE 30 6.936 -5.270 -11.280 217 HE2 PHE 30 HE2 PHE 30 9.361 -2.553 -13.492 218 HZ PHE 30 HZ PHE 30 7.738 -4.399 -13.435 219 H ARG 31 HN ARG 31 6.349 -0.497 -9.284 220 HA ARG 31 HA ARG 31 4.932 -2.901 -8.657 221 HB2 ARG 31 HB2 ARG 31 3.082 -1.943 -7.359 222 HB3 ARG 31 HB1 ARG 31 4.590 -1.736 -6.478 223 HG2 ARG 31 HG2 ARG 31 3.484 0.507 -8.186 224 HG3 ARG 31 HG1 ARG 31 2.856 0.231 -6.565 225 HD2 ARG 31 HD2 ARG 31 5.802 0.707 -7.160 226 HD3 ARG 31 HD1 ARG 31 4.669 1.999 -6.736 227 HE ARG 31 HE ARG 31 5.681 -0.121 -4.986 228 HH11 ARG 31 HH11 ARG 31 3.543 2.648 -5.332 229 HH12 ARG 31 HH12 ARG 31 3.256 2.804 -3.637 230 HH21 ARG 31 HH21 ARG 31 5.278 0.070 -2.751 231 HH22 ARG 31 HH22 ARG 31 4.245 1.333 -2.171 232 H SER 32 HN SER 32 5.292 0.161 -10.167 233 HA SER 32 HA SER 32 2.983 0.352 -11.749 234 HB2 SER 32 HB2 SER 32 5.829 1.230 -12.472 235 HB3 SER 32 HB1 SER 32 4.329 1.864 -13.150 236 HG SER 32 HG SER 32 4.909 3.293 -11.605 237 H ASN 33 HN ASN 33 2.306 -1.382 -12.915 238 HA ASN 33 HA ASN 33 4.069 -3.183 -14.386 239 HB2 ASN 33 HB2 ASN 33 1.015 -2.928 -14.427 240 HB3 ASN 33 HB1 ASN 33 1.946 -4.283 -15.064 241 HD21 ASN 33 HD21 ASN 33 0.721 -2.740 -12.206 242 HD22 ASN 33 HD22 ASN 33 1.126 -3.997 -11.096 243 H ALA 34 HN ALA 34 1.884 -0.531 -15.005 244 HA ALA 34 HA ALA 34 3.028 -0.023 -17.667 245 HB1 ALA 34 HB1 ALA 34 0.897 -1.224 -18.049 246 HB2 ALA 34 HB2 ALA 34 0.767 0.455 -18.571 247 HB3 ALA 34 HB3 ALA 34 0.041 -0.054 -17.041 248 H MET 35 HN MET 35 3.113 2.198 -18.149 249 HA MET 35 HA MET 35 1.811 4.158 -16.390 250 HB2 MET 35 HB2 MET 35 4.813 4.222 -17.035 251 HB3 MET 35 HB1 MET 35 3.922 5.569 -16.338 252 HG2 MET 35 HG2 MET 35 3.439 4.219 -14.338 253 HG3 MET 35 HG1 MET 35 4.306 2.861 -15.043 254 HE1 MET 35 HE1 MET 35 4.594 6.385 -13.322 255 HE2 MET 35 HE2 MET 35 5.238 6.757 -14.923 256 HE3 MET 35 HE3 MET 35 6.308 6.754 -13.521 257 H GLY 36 HN GLY 36 0.657 5.417 -17.753 258 HA2 GLY 36 HA2 GLY 36 1.609 5.900 -20.519 259 HA3 GLY 36 HA1 GLY 36 -0.074 5.898 -20.006 260 H TRP 37 HN TRP 37 1.799 7.995 -21.254 261 HA TRP 37 HA TRP 37 1.542 10.210 -19.358 262 HB2 TRP 37 HB2 TRP 37 2.601 10.113 -22.227 263 HB3 TRP 37 HB1 TRP 37 2.510 11.585 -21.264 264 HD1 TRP 37 HD1 TRP 37 4.613 8.454 -21.719 265 HE1 TRP 37 HE1 TRP 37 6.723 8.653 -20.272 266 HE3 TRP 37 HE3 TRP 37 3.347 12.591 -18.953 267 HZ2 TRP 37 HZ2 TRP 37 7.722 10.299 -18.221 268 HZ3 TRP 37 HZ3 TRP 37 4.948 13.411 -17.262 269 HH2 TRP 37 HH2 TRP 37 7.094 12.283 -16.905 270 H PHE 38 HN PHE 38 -0.277 11.307 -19.225 271 HA PHE 38 HA PHE 38 -2.071 11.629 -21.557 272 HB2 PHE 38 HB2 PHE 38 -2.820 11.599 -18.587 273 HB3 PHE 38 HB1 PHE 38 -3.935 11.925 -19.903 274 HD1 PHE 38 HD1 PHE 38 -1.683 9.258 -18.536 275 HD2 PHE 38 HD2 PHE 38 -5.158 10.132 -20.874 276 HE1 PHE 38 HE1 PHE 38 -2.213 6.858 -18.651 277 HE2 PHE 38 HE2 PHE 38 -5.675 7.725 -20.986 278 HZ PHE 38 HZ PHE 38 -4.203 6.089 -19.879 279 H ARG 39 HN ARG 39 -2.437 13.762 -22.145 280 HA ARG 39 HA ARG 39 -1.333 15.889 -20.403 281 HB2 ARG 39 HB2 ARG 39 -1.318 17.349 -22.371 282 HB3 ARG 39 HB1 ARG 39 -0.403 15.878 -22.665 283 HG2 ARG 39 HG2 ARG 39 -2.206 14.981 -24.050 284 HG3 ARG 39 HG1 ARG 39 -3.219 16.380 -23.686 285 HD2 ARG 39 HD2 ARG 39 -1.686 17.860 -24.842 286 HD3 ARG 39 HD1 ARG 39 -0.534 16.541 -25.071 287 HE ARG 39 HE ARG 39 -3.087 15.975 -26.245 288 HH11 ARG 39 HH11 ARG 39 -0.057 17.688 -26.830 289 HH12 ARG 39 HH12 ARG 39 -0.251 17.655 -28.551 290 HH21 ARG 39 HH21 ARG 39 -3.301 15.941 -28.487 291 HH22 ARG 39 HH22 ARG 39 -2.085 16.664 -29.490 292 H GLN 40 HN GLN 40 -2.654 17.116 -19.334 293 HA GLN 40 HA GLN 40 -5.531 17.277 -20.020 294 HB2 GLN 40 HB2 GLN 40 -4.553 16.431 -17.679 295 HB3 GLN 40 HB1 GLN 40 -4.315 18.138 -17.360 296 HG2 GLN 40 HG2 GLN 40 -6.979 16.811 -17.978 297 HG3 GLN 40 HG1 GLN 40 -6.385 17.228 -16.369 298 HE21 GLN 40 HE21 GLN 40 -7.786 18.442 -19.308 299 HE22 GLN 40 HE22 GLN 40 -8.095 20.045 -18.748 300 H ALA 41 HN ALA 41 -6.267 19.287 -20.657 301 HA ALA 41 HA ALA 41 -4.302 21.508 -20.765 302 HB1 ALA 41 HB1 ALA 41 -4.328 20.341 -22.927 303 HB2 ALA 41 HB2 ALA 41 -5.041 21.946 -23.097 304 HB3 ALA 41 HB3 ALA 41 -6.075 20.517 -23.035 305 HA PRO 42 HA PRO 42 -7.481 24.315 -19.276 306 HB2 PRO 42 HB2 PRO 42 -6.762 26.081 -21.620 307 HB3 PRO 42 HB1 PRO 42 -6.893 26.496 -19.902 308 HG2 PRO 42 HG2 PRO 42 -4.489 26.178 -21.021 309 HG3 PRO 42 HG1 PRO 42 -4.802 25.564 -19.386 310 HD2 PRO 42 HD2 PRO 42 -4.631 24.044 -21.977 311 HD3 PRO 42 HD1 PRO 42 -4.056 23.587 -20.356 312 H GLY 43 HN GLY 43 -9.323 23.107 -19.684 313 HA2 GLY 43 HA2 GLY 43 -11.543 23.211 -20.435 314 HA3 GLY 43 HA1 GLY 43 -11.030 24.044 -21.888 315 H LYS 44 HN LYS 44 -8.876 21.749 -22.019 316 HA LYS 44 HA LYS 44 -10.596 19.828 -23.479 317 HB2 LYS 44 HB2 LYS 44 -7.619 20.377 -23.823 318 HB3 LYS 44 HB1 LYS 44 -8.552 19.212 -24.752 319 HG2 LYS 44 HG2 LYS 44 -9.133 22.195 -24.772 320 HG3 LYS 44 HG1 LYS 44 -8.006 21.438 -25.891 321 HD2 LYS 44 HD2 LYS 44 -10.000 21.600 -27.136 322 HD3 LYS 44 HD1 LYS 44 -9.995 19.925 -26.597 323 HE2 LYS 44 HE2 LYS 44 -11.652 20.411 -24.899 324 HE3 LYS 44 HE1 LYS 44 -11.542 22.140 -25.205 325 HZ1 LYS 44 HZ1 LYS 44 -13.498 21.139 -26.210 326 HZ2 LYS 44 HZ2 LYS 44 -12.519 20.120 -27.142 327 HZ3 LYS 44 HZ3 LYS 44 -12.474 21.790 -27.382 328 H GLU 45 HN GLU 45 -10.452 17.676 -23.061 329 HA GLU 45 HA GLU 45 -10.001 16.903 -20.390 330 HB2 GLU 45 HB2 GLU 45 -10.713 14.662 -21.134 331 HB3 GLU 45 HB1 GLU 45 -11.741 15.909 -21.841 332 HG2 GLU 45 HG2 GLU 45 -10.310 15.737 -23.945 333 HG3 GLU 45 HG1 GLU 45 -9.537 14.333 -23.212 334 H ARG 46 HN ARG 46 -8.637 15.125 -19.582 335 HA ARG 46 HA ARG 46 -5.953 15.009 -20.362 336 HB2 ARG 46 HB2 ARG 46 -5.676 13.096 -18.891 337 HB3 ARG 46 HB1 ARG 46 -6.810 14.199 -18.131 338 HG2 ARG 46 HG2 ARG 46 -7.602 11.670 -19.615 339 HG3 ARG 46 HG1 ARG 46 -7.382 11.775 -17.868 340 HD2 ARG 46 HD2 ARG 46 -9.284 13.188 -17.621 341 HD3 ARG 46 HD1 ARG 46 -9.375 13.520 -19.351 342 HE ARG 46 HE ARG 46 -10.306 11.123 -17.952 343 HH11 ARG 46 HH11 ARG 46 -9.688 12.621 -21.068 344 HH12 ARG 46 HH12 ARG 46 -10.859 11.657 -21.902 345 HH21 ARG 46 HH21 ARG 46 -11.817 9.825 -19.078 346 HH22 ARG 46 HH22 ARG 46 -12.048 10.060 -20.778 347 H GLU 47 HN GLU 47 -4.968 14.074 -22.030 348 HA GLU 47 HA GLU 47 -6.536 12.338 -23.853 349 HB2 GLU 47 HB2 GLU 47 -6.112 14.642 -24.717 350 HB3 GLU 47 HB1 GLU 47 -4.382 14.396 -24.511 351 HG2 GLU 47 HG2 GLU 47 -4.586 12.455 -26.154 352 HG3 GLU 47 HG1 GLU 47 -6.232 13.004 -26.471 353 H PHE 48 HN PHE 48 -5.656 10.416 -24.281 354 HA PHE 48 HA PHE 48 -3.268 9.445 -23.081 355 HB2 PHE 48 HB2 PHE 48 -5.267 8.059 -23.578 356 HB3 PHE 48 HB1 PHE 48 -5.020 8.292 -25.303 357 HD1 PHE 48 HD1 PHE 48 -2.968 7.149 -22.354 358 HD2 PHE 48 HD2 PHE 48 -4.163 6.410 -26.393 359 HE1 PHE 48 HE1 PHE 48 -1.644 5.078 -22.370 360 HE2 PHE 48 HE2 PHE 48 -2.829 4.344 -26.397 361 HZ PHE 48 HZ PHE 48 -1.578 3.678 -24.391 362 H VAL 49 HN VAL 49 -1.348 10.176 -23.710 363 HA VAL 49 HA VAL 49 -0.762 11.000 -26.459 364 HB VAL 49 HB VAL 49 0.981 11.292 -23.963 365 HG11 VAL 49 HG11 VAL 49 2.344 11.364 -26.020 366 HG12 VAL 49 HG12 VAL 49 2.285 12.957 -25.265 367 HG13 VAL 49 HG13 VAL 49 1.301 12.623 -26.692 368 HG21 VAL 49 HG21 VAL 49 -1.092 12.566 -23.690 369 HG22 VAL 49 HG22 VAL 49 -0.842 13.357 -25.249 370 HG23 VAL 49 HG23 VAL 49 0.274 13.663 -23.916 371 H ALA 50 HN ALA 50 0.663 8.957 -23.896 372 HA ALA 50 HA ALA 50 1.976 7.227 -25.884 373 HB1 ALA 50 HB1 ALA 50 3.633 8.981 -25.331 374 HB2 ALA 50 HB2 ALA 50 4.154 7.404 -24.737 375 HB3 ALA 50 HB3 ALA 50 3.482 8.592 -23.613 376 H ALA 51 HN ALA 51 2.944 5.288 -24.834 377 HA ALA 51 HA ALA 51 1.630 4.392 -22.360 378 HB1 ALA 51 HB1 ALA 51 1.489 2.855 -24.991 379 HB2 ALA 51 HB2 ALA 51 0.151 3.697 -24.217 380 HB3 ALA 51 HB3 ALA 51 0.879 2.300 -23.427 381 H ILE 52 HN ILE 52 3.099 3.518 -21.101 382 HA ILE 52 HA ILE 52 5.509 2.230 -22.219 383 HB ILE 52 HB ILE 52 5.088 3.532 -19.495 384 HG12 ILE 52 HG12 ILE 52 7.205 4.832 -20.217 385 HG13 ILE 52 HG11 ILE 52 6.955 4.170 -21.825 386 HG21 ILE 52 HG21 ILE 52 7.450 1.836 -20.359 387 HG22 ILE 52 HG22 ILE 52 6.281 1.447 -19.094 388 HG23 ILE 52 HG23 ILE 52 7.382 2.810 -18.887 389 HD11 ILE 52 HD11 ILE 52 6.147 6.452 -21.633 390 HD12 ILE 52 HD12 ILE 52 5.050 5.983 -20.336 391 HD13 ILE 52 HD13 ILE 52 4.815 5.350 -21.967 392 H ARG 53 HN ARG 53 5.542 0.139 -22.112 393 HA ARG 53 HA ARG 53 3.754 -1.358 -20.299 394 HB2 ARG 53 HB2 ARG 53 3.156 -1.255 -22.853 395 HB3 ARG 53 HB1 ARG 53 4.568 -2.269 -23.097 396 HG2 ARG 53 HG2 ARG 53 2.706 -3.736 -23.052 397 HG3 ARG 53 HG1 ARG 53 3.503 -3.943 -21.488 398 HD2 ARG 53 HD2 ARG 53 1.045 -3.822 -21.236 399 HD3 ARG 53 HD1 ARG 53 1.836 -2.463 -20.426 400 HE ARG 53 HE ARG 53 0.950 -1.953 -23.156 401 HH11 ARG 53 HH11 ARG 53 -0.089 -1.807 -19.796 402 HH12 ARG 53 HH12 ARG 53 -1.144 -0.461 -20.066 403 HH21 ARG 53 HH21 ARG 53 -0.496 -0.220 -23.476 404 HH22 ARG 53 HH22 ARG 53 -1.372 0.428 -22.126 405 H TRP 54 HN TRP 54 5.149 -2.194 -18.795 406 HA TRP 54 HA TRP 54 7.933 -2.605 -19.268 407 HB2 TRP 54 HB2 TRP 54 6.908 -2.022 -17.028 408 HB3 TRP 54 HB1 TRP 54 6.288 -3.665 -16.925 409 HD1 TRP 54 HD1 TRP 54 9.706 -1.799 -17.076 410 HE1 TRP 54 HE1 TRP 54 11.462 -3.234 -15.867 411 HE3 TRP 54 HE3 TRP 54 6.839 -5.917 -16.035 412 HZ2 TRP 54 HZ2 TRP 54 11.629 -5.753 -14.634 413 HZ3 TRP 54 HZ3 TRP 54 7.877 -7.798 -14.826 414 HH2 TRP 54 HH2 TRP 54 10.227 -7.716 -14.139 415 H SER 55 HN SER 55 5.266 -4.488 -20.101 416 HA SER 55 HA SER 55 6.276 -7.135 -20.056 417 HB2 SER 55 HB2 SER 55 4.265 -5.975 -22.040 418 HB3 SER 55 HB1 SER 55 4.377 -7.651 -21.483 419 HG SER 55 HG SER 55 3.704 -6.967 -19.434 420 H GLY 56 HN GLY 56 7.504 -4.540 -21.774 421 HA2 GLY 56 HA2 GLY 56 9.484 -4.869 -23.132 422 HA3 GLY 56 HA1 GLY 56 8.722 -6.274 -23.861 423 H GLY 57 HN GLY 57 6.661 -3.547 -23.360 424 HA2 GLY 57 HA2 GLY 57 6.585 -2.945 -26.249 425 HA3 GLY 57 HA1 GLY 57 5.391 -2.474 -25.048 426 H SER 58 HN SER 58 5.617 -0.557 -23.959 427 HA SER 58 HA SER 58 6.308 1.484 -23.316 428 HB2 SER 58 HB2 SER 58 9.086 0.308 -23.658 429 HB3 SER 58 HB1 SER 58 8.719 1.802 -22.792 430 HG SER 58 HG SER 58 8.710 -0.618 -21.814 431 H THR 59 HN THR 59 5.493 1.386 -25.920 432 HA THR 59 HA THR 59 6.964 3.552 -27.201 433 HB THR 59 HB THR 59 6.882 2.220 -29.460 434 HG1 THR 59 HG1 THR 59 7.023 -0.007 -27.688 435 HG21 THR 59 HG21 THR 59 9.115 1.223 -29.147 436 HG22 THR 59 HG22 THR 59 8.953 1.385 -27.398 437 HG23 THR 59 HG23 THR 59 9.036 2.828 -28.410 438 H TYR 60 HN TYR 60 5.439 4.935 -27.822 439 HA TYR 60 HA TYR 60 3.141 4.296 -29.319 440 HB2 TYR 60 HB2 TYR 60 2.496 3.625 -26.853 441 HB3 TYR 60 HB1 TYR 60 2.407 5.354 -26.557 442 HD1 TYR 60 HD1 TYR 60 0.795 2.473 -28.097 443 HD2 TYR 60 HD2 TYR 60 0.663 6.732 -27.766 444 HE1 TYR 60 HE1 TYR 60 -1.493 2.477 -29.011 445 HE2 TYR 60 HE2 TYR 60 -1.623 6.739 -28.679 446 HH TYR 60 HH TYR 60 -3.086 5.316 -30.028 447 H TYR 61 HN TYR 61 2.756 6.054 -30.496 448 HA TYR 61 HA TYR 61 2.939 8.760 -29.603 449 HB2 TYR 61 HB2 TYR 61 4.785 9.401 -31.284 450 HB3 TYR 61 HB1 TYR 61 5.334 8.544 -29.850 451 HD1 TYR 61 HD1 TYR 61 6.387 6.343 -30.034 452 HD2 TYR 61 HD2 TYR 61 4.728 8.189 -33.515 453 HE1 TYR 61 HE1 TYR 61 7.487 4.658 -31.447 454 HE2 TYR 61 HE2 TYR 61 5.832 6.501 -34.927 455 HH TYR 61 HH TYR 61 7.230 3.654 -33.680 456 H ALA 62 HN ALA 62 1.867 10.128 -31.020 457 HA ALA 62 HA ALA 62 0.166 9.017 -33.018 458 HB1 ALA 62 HB1 ALA 62 -0.552 11.344 -33.387 459 HB2 ALA 62 HB2 ALA 62 0.813 11.932 -32.436 460 HB3 ALA 62 HB3 ALA 62 -0.458 10.985 -31.663 461 H ASP 63 HN ASP 63 0.164 9.540 -35.312 462 HA ASP 63 HA ASP 63 2.625 9.049 -36.604 463 HB2 ASP 63 HB2 ASP 63 0.316 8.472 -37.493 464 HB3 ASP 63 HB1 ASP 63 0.081 10.173 -37.859 465 H SER 64 HN SER 64 0.836 12.007 -35.964 466 HA SER 64 HA SER 64 2.224 13.833 -37.609 467 HB2 SER 64 HB2 SER 64 0.038 14.357 -36.611 468 HB3 SER 64 HB1 SER 64 0.729 14.305 -34.990 469 HG SER 64 HG SER 64 1.778 16.051 -36.943 470 H VAL 65 HN VAL 65 2.922 12.578 -34.385 471 HA VAL 65 HA VAL 65 5.294 14.330 -34.088 472 HB VAL 65 HB VAL 65 5.193 13.855 -31.675 473 HG11 VAL 65 HG11 VAL 65 2.518 14.846 -32.729 474 HG12 VAL 65 HG12 VAL 65 3.974 15.819 -32.506 475 HG13 VAL 65 HG13 VAL 65 3.156 15.127 -31.104 476 HG21 VAL 65 HG21 VAL 65 2.692 12.222 -32.264 477 HG22 VAL 65 HG22 VAL 65 3.279 12.638 -30.650 478 HG23 VAL 65 HG23 VAL 65 4.239 11.593 -31.697 479 H LYS 66 HN LYS 66 4.934 11.706 -35.602 480 HA LYS 66 HA LYS 66 6.127 9.510 -34.362 481 HB2 LYS 66 HB2 LYS 66 4.917 9.354 -36.503 482 HB3 LYS 66 HB1 LYS 66 6.150 10.320 -37.303 483 HG2 LYS 66 HG2 LYS 66 7.807 8.495 -36.899 484 HG3 LYS 66 HG1 LYS 66 6.531 7.519 -36.167 485 HD2 LYS 66 HD2 LYS 66 6.614 8.503 -39.049 486 HD3 LYS 66 HD1 LYS 66 6.929 6.852 -38.508 487 HE2 LYS 66 HE2 LYS 66 4.606 6.642 -37.737 488 HE3 LYS 66 HE1 LYS 66 4.284 8.319 -38.189 489 HZ1 LYS 66 HZ1 LYS 66 4.799 7.699 -40.503 490 HZ2 LYS 66 HZ2 LYS 66 3.465 6.869 -39.875 491 HZ3 LYS 66 HZ3 LYS 66 4.958 6.085 -40.019 492 H GLY 67 HN GLY 67 8.097 9.348 -33.517 493 HA2 GLY 67 HA2 GLY 67 10.402 9.099 -33.598 494 HA3 GLY 67 HA1 GLY 67 10.483 10.079 -35.050 495 H ARG 68 HN ARG 68 8.842 12.232 -33.708 496 HA ARG 68 HA ARG 68 11.022 13.694 -32.510 497 HB2 ARG 68 HB2 ARG 68 8.109 14.570 -32.610 498 HB3 ARG 68 HB1 ARG 68 9.536 15.586 -32.427 499 HG2 ARG 68 HG2 ARG 68 10.153 14.826 -34.814 500 HG3 ARG 68 HG1 ARG 68 8.503 14.199 -34.912 501 HD2 ARG 68 HD2 ARG 68 9.475 17.044 -34.853 502 HD3 ARG 68 HD1 ARG 68 8.174 16.320 -35.803 503 HE ARG 68 HE ARG 68 8.007 17.149 -32.961 504 HH11 ARG 68 HH11 ARG 68 6.303 16.345 -35.920 505 HH12 ARG 68 HH12 ARG 68 4.785 16.929 -35.330 506 HH21 ARG 68 HH21 ARG 68 6.030 17.935 -32.217 507 HH22 ARG 68 HH22 ARG 68 4.630 17.838 -33.240 508 H PHE 69 HN PHE 69 7.722 12.868 -31.407 509 HA PHE 69 HA PHE 69 8.461 13.096 -28.594 510 HB2 PHE 69 HB2 PHE 69 5.838 12.383 -29.974 511 HB3 PHE 69 HB1 PHE 69 6.040 12.370 -28.226 512 HD1 PHE 69 HD1 PHE 69 4.293 13.977 -27.820 513 HD2 PHE 69 HD2 PHE 69 7.566 15.030 -30.373 514 HE1 PHE 69 HE1 PHE 69 3.598 16.336 -27.757 515 HE2 PHE 69 HE2 PHE 69 6.860 17.389 -30.288 516 HZ PHE 69 HZ PHE 69 4.876 18.040 -28.985 517 H THR 70 HN THR 70 9.161 11.443 -27.457 518 HA THR 70 HA THR 70 8.795 8.641 -28.207 519 HB THR 70 HB THR 70 11.391 8.376 -27.801 520 HG1 THR 70 HG1 THR 70 11.093 11.126 -27.982 521 HG21 THR 70 HG21 THR 70 11.932 8.706 -30.190 522 HG22 THR 70 HG22 THR 70 10.455 9.647 -30.413 523 HG23 THR 70 HG23 THR 70 10.355 7.927 -30.019 524 H ILE 71 HN ILE 71 9.299 7.224 -26.465 525 HA ILE 71 HA ILE 71 9.735 8.437 -23.813 526 HB ILE 71 HB ILE 71 8.163 6.809 -22.764 527 HG12 ILE 71 HG12 ILE 71 8.122 5.141 -24.713 528 HG13 ILE 71 HG11 ILE 71 6.570 5.474 -23.962 529 HG21 ILE 71 HG21 ILE 71 6.072 7.973 -23.320 530 HG22 ILE 71 HG22 ILE 71 6.844 8.679 -24.743 531 HG23 ILE 71 HG23 ILE 71 7.429 9.086 -23.129 532 HD11 ILE 71 HD11 ILE 71 7.536 6.638 -26.575 533 HD12 ILE 71 HD12 ILE 71 5.956 6.905 -25.829 534 HD13 ILE 71 HD13 ILE 71 6.412 5.295 -26.378 535 H SER 72 HN SER 72 10.661 7.099 -22.283 536 HA SER 72 HA SER 72 11.601 4.417 -22.919 537 HB2 SER 72 HB2 SER 72 13.535 6.652 -22.108 538 HB3 SER 72 HB1 SER 72 13.951 4.952 -22.332 539 HG SER 72 HG SER 72 12.937 5.503 -24.578 540 H ARG 73 HN ARG 73 11.514 3.198 -21.037 541 HA ARG 73 HA ARG 73 11.292 4.608 -18.442 542 HB2 ARG 73 HB2 ARG 73 9.320 3.218 -18.927 543 HB3 ARG 73 HB1 ARG 73 10.348 1.817 -19.214 544 HG2 ARG 73 HG2 ARG 73 11.090 1.914 -16.818 545 HG3 ARG 73 HG1 ARG 73 9.982 3.262 -16.558 546 HD2 ARG 73 HD2 ARG 73 8.071 1.810 -17.060 547 HD3 ARG 73 HD1 ARG 73 9.160 0.462 -17.413 548 HE ARG 73 HE ARG 73 9.793 1.240 -14.853 549 HH11 ARG 73 HH11 ARG 73 6.848 0.119 -16.407 550 HH12 ARG 73 HH12 ARG 73 6.226 -0.618 -14.971 551 HH21 ARG 73 HH21 ARG 73 8.958 0.277 -12.967 552 HH22 ARG 73 HH22 ARG 73 7.422 -0.533 -13.026 553 H ASP 74 HN ASP 74 13.079 4.550 -17.284 554 HA ASP 74 HA ASP 74 15.035 2.386 -17.506 555 HB2 ASP 74 HB2 ASP 74 15.716 4.842 -17.251 556 HB3 ASP 74 HB1 ASP 74 15.081 4.792 -15.618 557 H ASN 75 HN ASN 75 15.048 0.704 -16.124 558 HA ASN 75 HA ASN 75 12.905 0.435 -14.158 559 HB2 ASN 75 HB2 ASN 75 13.506 -1.347 -15.881 560 HB3 ASN 75 HB1 ASN 75 14.994 -1.625 -14.988 561 HD21 ASN 75 HD21 ASN 75 14.533 -3.729 -14.394 562 HD22 ASN 75 HD22 ASN 75 13.248 -4.168 -13.325 563 H ALA 76 HN ALA 76 16.344 1.005 -14.233 564 HA ALA 76 HA ALA 76 17.134 -0.251 -11.833 565 HB1 ALA 76 HB1 ALA 76 19.245 0.959 -12.055 566 HB2 ALA 76 HB2 ALA 76 18.527 2.031 -13.264 567 HB3 ALA 76 HB3 ALA 76 18.728 0.315 -13.615 568 H LYS 77 HN LYS 77 16.173 3.179 -12.439 569 HA LYS 77 HA LYS 77 15.814 3.419 -9.487 570 HB2 LYS 77 HB2 LYS 77 16.037 5.849 -9.631 571 HB3 LYS 77 HB1 LYS 77 17.490 5.056 -10.215 572 HG2 LYS 77 HG2 LYS 77 15.370 6.066 -12.129 573 HG3 LYS 77 HG1 LYS 77 16.584 7.155 -11.451 574 HD2 LYS 77 HD2 LYS 77 18.374 5.668 -12.381 575 HD3 LYS 77 HD1 LYS 77 17.118 4.675 -13.128 576 HE2 LYS 77 HE2 LYS 77 18.072 6.242 -14.764 577 HE3 LYS 77 HE1 LYS 77 16.377 6.627 -14.464 578 HZ1 LYS 77 HZ1 LYS 77 17.125 8.384 -12.945 579 HZ2 LYS 77 HZ2 LYS 77 17.688 8.613 -14.524 580 HZ3 LYS 77 HZ3 LYS 77 18.731 8.028 -13.329 581 H ASN 78 HN ASN 78 14.062 2.710 -12.063 582 HA ASN 78 HA ASN 78 11.941 2.900 -12.804 583 HB2 ASN 78 HB2 ASN 78 11.482 3.310 -9.826 584 HB3 ASN 78 HB1 ASN 78 10.151 3.180 -10.970 585 HD21 ASN 78 HD21 ASN 78 12.704 1.473 -9.345 586 HD22 ASN 78 HD22 ASN 78 12.186 -0.121 -9.770 587 H THR 79 HN THR 79 12.819 4.853 -13.904 588 HA THR 79 HA THR 79 11.033 7.141 -13.361 589 HB THR 79 HB THR 79 14.002 7.381 -14.077 590 HG1 THR 79 HG1 THR 79 12.761 7.237 -11.711 591 HG21 THR 79 HG21 THR 79 12.670 9.159 -15.190 592 HG22 THR 79 HG22 THR 79 13.679 9.823 -13.900 593 HG23 THR 79 HG23 THR 79 11.949 9.585 -13.636 594 H VAL 80 HN VAL 80 9.969 7.799 -15.127 595 HA VAL 80 HA VAL 80 10.552 6.557 -17.742 596 HB VAL 80 HB VAL 80 7.938 7.727 -16.688 597 HG11 VAL 80 HG11 VAL 80 8.491 6.270 -19.299 598 HG12 VAL 80 HG12 VAL 80 8.081 7.981 -19.127 599 HG13 VAL 80 HG13 VAL 80 6.893 6.740 -18.716 600 HG21 VAL 80 HG21 VAL 80 7.122 5.390 -16.605 601 HG22 VAL 80 HG22 VAL 80 8.509 5.624 -15.535 602 HG23 VAL 80 HG23 VAL 80 8.718 4.815 -17.091 603 H TYR 81 HN TYR 81 11.400 7.882 -19.213 604 HA TYR 81 HA TYR 81 11.165 10.803 -18.983 605 HB2 TYR 81 HB2 TYR 81 13.022 9.088 -20.698 606 HB3 TYR 81 HB1 TYR 81 13.072 10.846 -20.583 607 HD1 TYR 81 HD1 TYR 81 14.019 7.698 -18.931 608 HD2 TYR 81 HD2 TYR 81 13.802 11.943 -18.452 609 HE1 TYR 81 HE1 TYR 81 15.502 7.554 -16.967 610 HE2 TYR 81 HE2 TYR 81 15.289 11.800 -16.501 611 HH TYR 81 HH TYR 81 15.974 10.208 -14.825 612 H LEU 82 HN LEU 82 10.012 11.975 -20.394 613 HA LEU 82 HA LEU 82 9.003 10.774 -22.920 614 HB2 LEU 82 HB2 LEU 82 7.166 11.319 -21.418 615 HB3 LEU 82 HB1 LEU 82 7.837 12.903 -21.086 616 HG LEU 82 HG LEU 82 7.334 13.595 -23.431 617 HD11 LEU 82 HD11 LEU 82 5.907 10.939 -23.715 618 HD12 LEU 82 HD12 LEU 82 7.390 11.418 -24.549 619 HD13 LEU 82 HD13 LEU 82 5.884 12.275 -24.871 620 HD21 LEU 82 HD21 LEU 82 4.908 13.836 -23.150 621 HD22 LEU 82 HD22 LEU 82 5.759 14.131 -21.635 622 HD23 LEU 82 HD23 LEU 82 4.919 12.598 -21.890 623 H GLN 83 HN GLN 83 10.663 11.373 -24.287 624 HA GLN 83 HA GLN 83 11.719 14.084 -24.315 625 HB2 GLN 83 HB2 GLN 83 13.193 12.107 -24.816 626 HB3 GLN 83 HB1 GLN 83 12.239 11.781 -26.252 627 HG2 GLN 83 HG2 GLN 83 14.359 12.933 -26.779 628 HG3 GLN 83 HG1 GLN 83 12.953 13.866 -27.278 629 HE21 GLN 83 HE21 GLN 83 12.505 15.839 -26.248 630 HE22 GLN 83 HE22 GLN 83 13.617 16.612 -25.171 631 H MET 84 HN MET 84 10.093 15.443 -24.887 632 HA MET 84 HA MET 84 8.562 15.079 -27.362 633 HB2 MET 84 HB2 MET 84 8.540 17.285 -25.247 634 HB3 MET 84 HB1 MET 84 7.466 17.237 -26.644 635 HG2 MET 84 HG2 MET 84 6.398 15.228 -25.800 636 HG3 MET 84 HG1 MET 84 7.559 15.123 -24.476 637 HE1 MET 84 HE1 MET 84 4.439 17.145 -25.916 638 HE2 MET 84 HE2 MET 84 5.720 18.356 -25.907 639 HE3 MET 84 HE3 MET 84 4.372 18.486 -24.778 640 H ASN 85 HN ASN 85 9.758 15.515 -29.149 641 HA ASN 85 HA ASN 85 11.529 17.888 -29.200 642 HB2 ASN 85 HB2 ASN 85 11.340 15.541 -31.138 643 HB3 ASN 85 HB1 ASN 85 12.432 16.913 -31.324 644 HD21 ASN 85 HD21 ASN 85 13.033 14.052 -31.008 645 HD22 ASN 85 HD22 ASN 85 14.054 13.935 -29.623 646 H SER 86 HN SER 86 11.043 19.604 -30.404 647 HA SER 86 HA SER 86 9.847 21.147 -31.496 648 HB2 SER 86 HB2 SER 86 10.351 19.753 -33.501 649 HB3 SER 86 HB1 SER 86 8.848 18.865 -33.254 650 HG SER 86 HG SER 86 9.211 21.577 -33.972 651 H LEU 87 HN LEU 87 8.792 21.151 -29.372 652 HA LEU 87 HA LEU 87 6.151 20.118 -29.048 653 HB2 LEU 87 HB2 LEU 87 7.488 22.410 -27.553 654 HB3 LEU 87 HB1 LEU 87 5.939 21.690 -27.141 655 HG LEU 87 HG LEU 87 7.326 19.455 -26.944 656 HD11 LEU 87 HD11 LEU 87 9.416 20.283 -27.843 657 HD12 LEU 87 HD12 LEU 87 9.613 19.736 -26.178 658 HD13 LEU 87 HD13 LEU 87 9.532 21.464 -26.534 659 HD21 LEU 87 HD21 LEU 87 7.522 21.607 -24.821 660 HD22 LEU 87 HD22 LEU 87 7.714 19.870 -24.565 661 HD23 LEU 87 HD23 LEU 87 6.158 20.516 -25.079 662 H LYS 88 HN LYS 88 4.253 20.990 -29.558 663 HA LYS 88 HA LYS 88 4.080 23.292 -31.320 664 HB2 LYS 88 HB2 LYS 88 1.766 21.719 -30.105 665 HB3 LYS 88 HB1 LYS 88 1.765 22.667 -31.590 666 HG2 LYS 88 HG2 LYS 88 3.210 20.026 -31.143 667 HG3 LYS 88 HG1 LYS 88 1.712 20.253 -32.044 668 HD2 LYS 88 HD2 LYS 88 4.306 21.618 -32.861 669 HD3 LYS 88 HD1 LYS 88 3.904 19.986 -33.390 670 HE2 LYS 88 HE2 LYS 88 3.290 21.534 -35.138 671 HE3 LYS 88 HE1 LYS 88 1.810 20.894 -34.436 672 HZ1 LYS 88 HZ1 LYS 88 1.791 23.308 -34.884 673 HZ2 LYS 88 HZ2 LYS 88 2.980 23.516 -33.706 674 HZ3 LYS 88 HZ3 LYS 88 1.458 22.915 -33.271 675 HA PRO 89 HA PRO 89 3.163 26.311 -28.039 676 HB2 PRO 89 HB2 PRO 89 1.212 27.859 -29.254 677 HB3 PRO 89 HB1 PRO 89 2.941 28.008 -29.599 678 HG2 PRO 89 HG2 PRO 89 0.822 26.490 -31.128 679 HG3 PRO 89 HG1 PRO 89 2.098 27.561 -31.750 680 HD2 PRO 89 HD2 PRO 89 2.390 24.893 -31.843 681 HD3 PRO 89 HD1 PRO 89 3.779 25.938 -31.463 682 H GLU 90 HN GLU 90 0.795 24.354 -29.532 683 HA GLU 90 HA GLU 90 -1.538 24.628 -27.979 684 HB2 GLU 90 HB2 GLU 90 -0.483 22.209 -29.510 685 HB3 GLU 90 HB1 GLU 90 -2.174 22.541 -29.123 686 HG2 GLU 90 HG2 GLU 90 -2.266 24.362 -30.663 687 HG3 GLU 90 HG1 GLU 90 -0.517 24.424 -30.832 688 H ASP 91 HN ASP 91 1.475 23.013 -27.385 689 HA ASP 91 HA ASP 91 0.517 21.307 -25.232 690 HB2 ASP 91 HB2 ASP 91 3.361 21.877 -26.186 691 HB3 ASP 91 HB1 ASP 91 2.929 20.675 -24.975 692 H THR 92 HN THR 92 0.278 24.346 -25.029 693 HA THR 92 HA THR 92 1.540 24.822 -22.460 694 HB THR 92 HB THR 92 -0.738 26.279 -23.879 695 HG1 THR 92 HG1 THR 92 1.201 26.578 -24.938 696 HG21 THR 92 HG21 THR 92 -0.904 26.647 -21.435 697 HG22 THR 92 HG22 THR 92 -0.387 28.118 -22.262 698 HG23 THR 92 HG23 THR 92 0.794 27.136 -21.397 699 H ALA 93 HN ALA 93 0.985 23.157 -21.086 700 HA ALA 93 HA ALA 93 -1.718 22.753 -20.162 701 HB1 ALA 93 HB1 ALA 93 -0.456 20.577 -21.889 702 HB2 ALA 93 HB2 ALA 93 -1.846 21.569 -22.332 703 HB3 ALA 93 HB3 ALA 93 -1.972 20.430 -20.994 704 H VAL 94 HN VAL 94 -1.673 20.479 -18.884 705 HA VAL 94 HA VAL 94 0.885 20.245 -17.415 706 HB VAL 94 HB VAL 94 -0.821 21.073 -15.916 707 HG11 VAL 94 HG11 VAL 94 -2.865 20.429 -17.101 708 HG12 VAL 94 HG12 VAL 94 -2.940 19.927 -15.412 709 HG13 VAL 94 HG13 VAL 94 -2.603 18.737 -16.670 710 HG21 VAL 94 HG21 VAL 94 0.748 19.447 -14.956 711 HG22 VAL 94 HG22 VAL 94 -0.350 18.124 -15.357 712 HG23 VAL 94 HG23 VAL 94 -0.827 19.332 -14.161 713 H TYR 95 HN TYR 95 1.951 18.580 -18.232 714 HA TYR 95 HA TYR 95 0.641 16.193 -19.259 715 HB2 TYR 95 HB2 TYR 95 3.452 17.267 -19.289 716 HB3 TYR 95 HB1 TYR 95 3.258 15.526 -19.408 717 HD1 TYR 95 HD1 TYR 95 2.775 14.522 -21.502 718 HD2 TYR 95 HD2 TYR 95 2.135 18.730 -21.038 719 HE1 TYR 95 HE1 TYR 95 2.308 14.714 -23.902 720 HE2 TYR 95 HE2 TYR 95 1.676 18.916 -23.454 721 HH TYR 95 HH TYR 95 2.115 17.709 -25.530 722 H LEU 96 HN LEU 96 -0.106 14.828 -17.773 723 HA LEU 96 HA LEU 96 1.503 14.220 -15.371 724 HB2 LEU 96 HB2 LEU 96 -0.631 13.431 -14.361 725 HB3 LEU 96 HB1 LEU 96 -0.665 15.120 -14.816 726 HG LEU 96 HG LEU 96 -1.865 14.165 -17.020 727 HD11 LEU 96 HD11 LEU 96 -1.693 11.797 -16.493 728 HD12 LEU 96 HD12 LEU 96 -3.379 12.301 -16.568 729 HD13 LEU 96 HD13 LEU 96 -2.609 12.034 -15.001 730 HD21 LEU 96 HD21 LEU 96 -2.860 15.818 -15.524 731 HD22 LEU 96 HD22 LEU 96 -3.348 14.546 -14.402 732 HD23 LEU 96 HD23 LEU 96 -4.057 14.620 -16.018 733 H CYS 97 HN CYS 97 1.980 12.085 -14.904 734 HA CYS 97 HA CYS 97 1.502 10.082 -17.003 735 HB2 CYS 97 HB2 CYS 97 3.857 10.439 -16.174 736 HB3 CYS 97 HB1 CYS 97 3.346 9.876 -14.584 737 HG CYS 97 HG CYS 97 2.729 7.844 -17.210 738 H ALA 98 HN ALA 98 0.780 7.941 -16.288 739 HA ALA 98 HA ALA 98 -0.730 7.833 -13.772 740 HB1 ALA 98 HB1 ALA 98 -2.771 7.110 -14.939 741 HB2 ALA 98 HB2 ALA 98 -1.984 7.373 -16.499 742 HB3 ALA 98 HB3 ALA 98 -2.306 8.740 -15.429 743 H ALA 99 HN ALA 99 -0.516 5.837 -12.879 744 HA ALA 99 HA ALA 99 0.782 3.717 -14.469 745 HB1 ALA 99 HB1 ALA 99 1.740 2.916 -12.351 746 HB2 ALA 99 HB2 ALA 99 0.892 4.193 -11.467 747 HB3 ALA 99 HB3 ALA 99 2.155 4.610 -12.626 748 H GLY 100 HN GLY 100 -0.006 1.661 -14.414 749 HA2 GLY 100 HA2 GLY 100 -2.211 0.830 -12.729 750 HA3 GLY 100 HA1 GLY 100 -2.630 1.093 -14.417 751 H VAL 101 HN VAL 101 -3.214 -1.129 -14.465 752 HA VAL 101 HA VAL 101 -0.960 -3.057 -14.644 753 HB VAL 101 HB VAL 101 -2.524 -4.840 -13.937 754 HG11 VAL 101 HG11 VAL 101 -1.208 -3.724 -12.183 755 HG12 VAL 101 HG12 VAL 101 -2.778 -4.218 -11.549 756 HG13 VAL 101 HG13 VAL 101 -2.483 -2.523 -11.957 757 HG21 VAL 101 HG21 VAL 101 -4.797 -4.308 -13.061 758 HG22 VAL 101 HG22 VAL 101 -4.645 -3.931 -14.779 759 HG23 VAL 101 HG23 VAL 101 -4.596 -2.631 -13.586 760 H TRP 102 HN TRP 102 -2.135 -5.156 -15.864 761 HA TRP 102 HA TRP 102 -2.886 -4.207 -18.550 762 HB2 TRP 102 HB2 TRP 102 -2.256 -7.065 -17.681 763 HB3 TRP 102 HB1 TRP 102 -2.276 -6.424 -19.322 764 HD1 TRP 102 HD1 TRP 102 -0.196 -4.667 -19.924 765 HE1 TRP 102 HE1 TRP 102 2.233 -4.696 -19.082 766 HE3 TRP 102 HE3 TRP 102 -0.791 -7.602 -15.775 767 HZ2 TRP 102 HZ2 TRP 102 3.705 -5.780 -16.955 768 HZ3 TRP 102 HZ3 TRP 102 1.187 -8.096 -14.386 769 HH2 TRP 102 HH2 TRP 102 3.392 -7.203 -14.968 770 H ARG 103 HN ARG 103 -5.031 -4.206 -19.088 771 HA ARG 103 HA ARG 103 -7.027 -5.601 -17.513 772 HB2 ARG 103 HB2 ARG 103 -7.212 -3.932 -20.056 773 HB3 ARG 103 HB1 ARG 103 -8.617 -4.711 -19.332 774 HG2 ARG 103 HG2 ARG 103 -6.866 -2.619 -17.988 775 HG3 ARG 103 HG1 ARG 103 -8.461 -2.336 -18.696 776 HD2 ARG 103 HD2 ARG 103 -9.472 -3.864 -17.046 777 HD3 ARG 103 HD1 ARG 103 -7.877 -4.198 -16.357 778 HE ARG 103 HE ARG 103 -9.016 -1.467 -16.365 779 HH11 ARG 103 HH11 ARG 103 -7.666 -4.141 -14.513 780 HH12 ARG 103 HH12 ARG 103 -7.614 -3.235 -13.039 781 HH21 ARG 103 HH21 ARG 103 -8.935 -0.323 -14.428 782 HH22 ARG 103 HH22 ARG 103 -8.307 -1.070 -12.995 783 H SER 104 HN SER 104 -8.660 -7.041 -18.527 784 HA SER 104 HA SER 104 -7.449 -9.314 -19.795 785 HB2 SER 104 HB2 SER 104 -10.393 -8.740 -19.227 786 HB3 SER 104 HB1 SER 104 -9.702 -10.320 -19.609 787 HG SER 104 HG SER 104 -8.608 -10.297 -17.668 788 H SER 105 HN SER 105 -9.253 -6.550 -20.900 789 HA SER 105 HA SER 105 -9.792 -7.422 -23.580 790 HB2 SER 105 HB2 SER 105 -11.028 -5.552 -22.489 791 HB3 SER 105 HB1 SER 105 -9.545 -4.605 -22.414 792 HG SER 105 HG SER 105 -9.870 -5.368 -24.936 793 H GLY 106 HN GLY 106 -6.975 -6.342 -21.892 794 HA2 GLY 106 HA2 GLY 106 -4.758 -6.275 -22.652 795 HA3 GLY 106 HA1 GLY 106 -5.322 -6.251 -24.317 796 H TRP 107 HN TRP 107 -7.169 -4.066 -22.745 797 HA TRP 107 HA TRP 107 -5.873 -1.807 -23.968 798 HB2 TRP 107 HB2 TRP 107 -8.351 -2.173 -24.040 799 HB3 TRP 107 HB1 TRP 107 -8.422 -1.963 -22.296 800 HD1 TRP 107 HD1 TRP 107 -6.912 0.203 -25.185 801 HE1 TRP 107 HE1 TRP 107 -7.710 2.625 -24.852 802 HE3 TRP 107 HE3 TRP 107 -9.756 -0.437 -20.976 803 HZ2 TRP 107 HZ2 TRP 107 -9.324 4.077 -23.064 804 HZ3 TRP 107 HZ3 TRP 107 -10.896 1.525 -20.012 805 HH2 TRP 107 HH2 TRP 107 -10.683 3.741 -21.038 806 H ASP 108 HN ASP 108 -5.262 0.130 -22.865 807 HA ASP 108 HA ASP 108 -3.801 -0.294 -20.418 808 HB2 ASP 108 HB2 ASP 108 -2.940 1.102 -22.338 809 HB3 ASP 108 HB1 ASP 108 -4.187 2.289 -21.995 810 H THR 109 HN THR 109 -4.077 0.898 -18.455 811 HA THR 109 HA THR 109 -6.668 2.202 -18.000 812 HB THR 109 HB THR 109 -7.178 -0.078 -17.432 813 HG1 THR 109 HG1 THR 109 -6.735 0.885 -14.840 814 HG21 THR 109 HG21 THR 109 -5.967 -1.398 -15.742 815 HG22 THR 109 HG22 THR 109 -4.772 -0.112 -15.565 816 HG23 THR 109 HG23 THR 109 -4.900 -0.994 -17.091 817 HA PRO 110 HA PRO 110 -3.707 4.750 -15.579 818 HB2 PRO 110 HB2 PRO 110 -5.234 6.996 -15.489 819 HB3 PRO 110 HB1 PRO 110 -4.372 6.529 -16.964 820 HG2 PRO 110 HG2 PRO 110 -7.275 6.095 -16.242 821 HG3 PRO 110 HG1 PRO 110 -6.583 6.703 -17.765 822 HD2 PRO 110 HD2 PRO 110 -7.340 4.094 -17.429 823 HD3 PRO 110 HD1 PRO 110 -6.012 4.573 -18.509 824 H ASP 111 HN ASP 111 -4.379 2.952 -13.957 825 HA ASP 111 HA ASP 111 -6.622 3.119 -12.273 826 HB2 ASP 111 HB2 ASP 111 -3.893 1.858 -11.802 827 HB3 ASP 111 HB1 ASP 111 -5.211 1.710 -10.643 828 H TYR 112 HN TYR 112 -3.421 4.582 -11.931 829 HA TYR 112 HA TYR 112 -4.489 6.451 -9.902 830 HB2 TYR 112 HB2 TYR 112 -1.709 5.168 -9.743 831 HB3 TYR 112 HB1 TYR 112 -2.391 6.324 -8.605 832 HD1 TYR 112 HD1 TYR 112 -2.245 2.796 -9.583 833 HD2 TYR 112 HD2 TYR 112 -4.221 5.602 -7.035 834 HE1 TYR 112 HE1 TYR 112 -3.126 0.941 -8.225 835 HE2 TYR 112 HE2 TYR 112 -5.095 3.748 -5.682 836 HH TYR 112 HH TYR 112 -5.556 1.412 -5.819 837 H TRP 113 HN TRP 113 -4.203 8.471 -10.693 838 HA TRP 113 HA TRP 113 -2.257 9.070 -12.782 839 HB2 TRP 113 HB2 TRP 113 -4.309 10.852 -11.388 840 HB3 TRP 113 HB1 TRP 113 -3.310 11.343 -12.755 841 HD1 TRP 113 HD1 TRP 113 -3.977 10.347 -15.183 842 HE1 TRP 113 HE1 TRP 113 -6.145 9.302 -16.070 843 HE3 TRP 113 HE3 TRP 113 -6.289 9.342 -10.729 844 HZ2 TRP 113 HZ2 TRP 113 -8.522 8.199 -15.040 845 HZ3 TRP 113 HZ3 TRP 113 -8.516 8.286 -10.768 846 HH2 TRP 113 HH2 TRP 113 -9.607 7.728 -12.882 847 H GLY 114 HN GLY 114 -0.854 10.992 -12.529 848 HA2 GLY 114 HA2 GLY 114 0.538 10.950 -9.933 849 HA3 GLY 114 HA1 GLY 114 1.166 11.541 -11.466 850 H GLN 115 HN GLN 115 1.874 13.311 -10.074 851 HA GLN 115 HA GLN 115 -0.080 15.167 -8.985 852 HB2 GLN 115 HB2 GLN 115 2.946 15.375 -9.320 853 HB3 GLN 115 HB1 GLN 115 1.951 16.540 -8.441 854 HG2 GLN 115 HG2 GLN 115 1.346 14.851 -6.796 855 HG3 GLN 115 HG1 GLN 115 2.189 13.601 -7.705 856 HE21 GLN 115 HE21 GLN 115 4.460 13.576 -7.711 857 HE22 GLN 115 HE22 GLN 115 5.374 14.415 -6.509 858 H GLY 116 HN GLY 116 2.003 14.932 -11.809 859 HA2 GLY 116 HA2 GLY 116 1.523 15.824 -13.932 860 HA3 GLY 116 HA1 GLY 116 0.509 17.058 -13.198 861 H THR 117 HN THR 117 3.007 16.992 -15.049 862 HA THR 117 HA THR 117 4.509 19.108 -13.647 863 HB THR 117 HB THR 117 5.968 17.296 -14.364 864 HG1 THR 117 HG1 THR 117 6.735 19.107 -16.280 865 HG21 THR 117 HG21 THR 117 5.040 17.805 -17.214 866 HG22 THR 117 HG22 THR 117 4.705 16.360 -16.255 867 HG23 THR 117 HG23 THR 117 6.362 16.738 -16.734 868 H GLN 118 HN GLN 118 4.032 21.103 -14.162 869 HA GLN 118 HA GLN 118 2.229 21.767 -16.317 870 HB2 GLN 118 HB2 GLN 118 3.509 23.357 -14.072 871 HB3 GLN 118 HB1 GLN 118 2.586 24.155 -15.339 872 HG2 GLN 118 HG2 GLN 118 1.357 21.899 -13.757 873 HG3 GLN 118 HG1 GLN 118 1.426 23.530 -13.098 874 HE21 GLN 118 HE21 GLN 118 0.897 23.021 -16.593 875 HE22 GLN 118 HE22 GLN 118 -0.751 23.506 -16.576 876 H VAL 119 HN VAL 119 3.054 21.832 -18.300 877 HA VAL 119 HA VAL 119 5.597 23.251 -18.840 878 HB VAL 119 HB VAL 119 5.651 22.082 -21.018 879 HG11 VAL 119 HG11 VAL 119 6.103 19.779 -20.207 880 HG12 VAL 119 HG12 VAL 119 5.263 20.147 -18.699 881 HG13 VAL 119 HG13 VAL 119 6.754 20.999 -19.104 882 HG21 VAL 119 HG21 VAL 119 3.092 20.664 -20.139 883 HG22 VAL 119 HG22 VAL 119 4.024 20.280 -21.591 884 HG23 VAL 119 HG23 VAL 119 3.223 21.845 -21.443 885 H THR 120 HN THR 120 5.593 24.991 -20.228 886 HA THR 120 HA THR 120 3.100 25.706 -21.653 887 HB THR 120 HB THR 120 4.894 27.712 -20.193 888 HG1 THR 120 HG1 THR 120 2.609 26.340 -19.441 889 HG21 THR 120 HG21 THR 120 2.304 28.158 -21.741 890 HG22 THR 120 HG22 THR 120 3.910 28.682 -22.250 891 HG23 THR 120 HG23 THR 120 3.161 29.382 -20.812 892 H VAL 121 HN VAL 121 3.555 25.711 -23.763 893 HA VAL 121 HA VAL 121 6.325 26.224 -24.660 894 HB VAL 121 HB VAL 121 3.985 25.150 -26.292 895 HG11 VAL 121 HG11 VAL 121 6.978 25.118 -26.857 896 HG12 VAL 121 HG12 VAL 121 5.785 26.144 -27.658 897 HG13 VAL 121 HG13 VAL 121 5.730 24.393 -27.876 898 HG21 VAL 121 HG21 VAL 121 4.455 23.609 -24.431 899 HG22 VAL 121 HG22 VAL 121 6.165 23.575 -24.867 900 HG23 VAL 121 HG23 VAL 121 4.962 22.897 -25.965 901 H SER 122 HN SER 122 6.579 28.447 -24.755 902 HA SER 122 HA SER 122 4.787 30.385 -25.612 903 HB2 SER 122 HB2 SER 122 7.800 30.220 -25.964 904 HB3 SER 122 HB1 SER 122 6.867 31.669 -26.337 905 HG SER 122 HG SER 122 6.136 31.604 -24.134 906 H SER 123 HN SER 123 4.137 31.250 -27.556 907 HA SER 123 HA SER 123 4.356 29.621 -29.955 908 HB2 SER 123 HB2 SER 123 2.868 32.238 -29.485 909 HB3 SER 123 HB1 SER 123 2.623 31.132 -30.837 910 HG SER 123 HG SER 123 2.105 30.615 -28.088 911 H LEU 124 HN LEU 124 6.782 30.177 -29.771 912 HA LEU 124 HA LEU 124 8.696 31.097 -30.462 913 HB2 LEU 124 HB2 LEU 124 6.890 32.493 -32.456 914 HB3 LEU 124 HB1 LEU 124 8.608 32.821 -32.407 915 HG LEU 124 HG LEU 124 8.274 31.265 -34.167 916 HD11 LEU 124 HD11 LEU 124 9.348 29.674 -31.822 917 HD12 LEU 124 HD12 LEU 124 10.257 30.816 -32.818 918 HD13 LEU 124 HD13 LEU 124 9.619 29.342 -33.537 919 HD21 LEU 124 HD21 LEU 124 6.689 29.511 -32.278 920 HD22 LEU 124 HD22 LEU 124 7.124 29.098 -33.939 921 HD23 LEU 124 HD23 LEU 124 6.055 30.462 -33.620 922 H GLU 125 HN GLU 125 6.965 32.474 -28.317 923 HA GLU 125 HA GLU 125 8.383 35.029 -28.151 924 HB2 GLU 125 HB2 GLU 125 6.624 33.576 -26.127 925 HB3 GLU 125 HB1 GLU 125 7.458 35.079 -25.770 926 HG2 GLU 125 HG2 GLU 125 5.206 35.634 -26.258 927 HG3 GLU 125 HG1 GLU 125 6.179 36.172 -27.626 928 H HIS 126 HN HIS 126 10.566 34.269 -28.350 929 HA HIS 126 HA HIS 126 11.706 32.497 -26.368 930 HB2 HIS 126 HB2 HIS 126 12.673 32.821 -28.713 931 HB3 HIS 126 HB1 HIS 126 13.241 34.405 -28.201 932 HD1 HIS 126 HD1 HIS 126 13.998 30.779 -27.970 933 HD2 HIS 126 HD2 HIS 126 15.381 34.319 -26.280 934 HE1 HIS 126 HE1 HIS 126 16.164 30.194 -26.850 935 HE2 HIS 126 HE2 HIS 126 17.078 32.387 -26.033 936 H HIS 127 HN HIS 127 11.097 33.370 -24.430 937 HA HIS 127 HA HIS 127 12.289 35.879 -23.498 938 HB2 HIS 127 HB2 HIS 127 9.950 36.264 -24.619 939 HB3 HIS 127 HB1 HIS 127 9.275 35.392 -23.253 940 HD1 HIS 127 HD1 HIS 127 9.298 36.645 -20.952 941 HD2 HIS 127 HD2 HIS 127 10.772 38.864 -24.133 942 HE1 HIS 127 HE1 HIS 127 9.237 39.028 -20.188 943 HE2 HIS 127 HE2 HIS 127 9.988 40.361 -22.178 944 H HIS 128 HN HIS 128 13.188 35.259 -21.564 945 HA HIS 128 HA HIS 128 12.625 32.648 -20.482 946 HB2 HIS 128 HB2 HIS 128 14.536 34.823 -19.532 947 HB3 HIS 128 HB1 HIS 128 14.459 33.196 -18.854 948 HD1 HIS 128 HD1 HIS 128 15.915 35.128 -21.610 949 HD2 HIS 128 HD2 HIS 128 15.229 31.126 -20.736 950 HE1 HIS 128 HE1 HIS 128 17.319 33.836 -23.242 951 HE2 HIS 128 HE2 HIS 128 17.043 31.427 -22.551 952 H HIS 129 HN HIS 129 10.531 32.665 -19.740 953 HA HIS 129 HA HIS 129 9.610 34.524 -17.703 954 HB2 HIS 129 HB2 HIS 129 8.296 32.193 -19.132 955 HB3 HIS 129 HB1 HIS 129 7.550 32.895 -17.699 956 HD1 HIS 129 HD1 HIS 129 6.069 34.824 -18.079 957 HD2 HIS 129 HD2 HIS 129 8.636 34.217 -21.281 958 HE1 HIS 129 HE1 HIS 129 5.351 36.467 -19.831 959 HE2 HIS 129 HE2 HIS 129 6.772 35.922 -21.833 960 H HIS 130 HN HIS 130 11.158 34.115 -16.073 961 HA HIS 130 HA HIS 130 10.988 31.715 -14.476 962 HB2 HIS 130 HB2 HIS 130 12.927 33.441 -14.500 963 HB3 HIS 130 HB1 HIS 130 11.888 34.477 -13.524 964 HD1 HIS 130 HD1 HIS 130 13.825 31.255 -13.417 965 HD2 HIS 130 HD2 HIS 130 11.763 33.744 -10.805 966 HE1 HIS 130 HE1 HIS 130 14.391 30.430 -11.117 967 HE2 HIS 130 HE2 HIS 130 13.061 31.886 -9.559 968 H HIS 131 HN HIS 131 9.115 34.588 -14.943 969 HA HIS 131 HA HIS 131 7.051 33.510 -13.114 970 HB2 HIS 131 HB2 HIS 131 7.817 36.409 -13.606 971 HB3 HIS 131 HB1 HIS 131 6.158 36.000 -13.185 972 HD1 HIS 131 HD1 HIS 131 9.473 34.802 -11.701 973 HD2 HIS 131 HD2 HIS 131 5.891 36.557 -10.554 974 HE1 HIS 131 HE1 HIS 131 9.575 34.954 -9.199 975 HE2 HIS 131 HE2 HIS 131 7.431 36.091 -8.532 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 0.501 2.872 -0.119 2 H2 MET 1 HT2 MET 1 1.960 2.317 -0.762 3 H3 MET 1 HT3 MET 1 1.306 1.573 0.610 4 HA MET 1 HA MET 1 0.996 0.244 -1.378 5 HB2 MET 1 HB2 MET 1 -0.630 0.076 0.483 6 HB3 MET 1 HB1 MET 1 -1.576 1.385 -0.205 7 HG2 MET 1 HG2 MET 1 -2.106 -0.026 -2.157 8 HG3 MET 1 HG1 MET 1 -1.136 -1.331 -1.470 9 HE1 MET 1 HE1 MET 1 -3.267 -2.974 -1.752 10 HE2 MET 1 HE2 MET 1 -4.237 -1.644 -2.389 11 HE3 MET 1 HE3 MET 1 -4.850 -2.626 -1.059 12 H GLN 2 HN GLN 2 -0.474 3.456 -1.556 13 HA GLN 2 HA GLN 2 -1.514 3.286 -4.203 14 HB2 GLN 2 HB2 GLN 2 -0.715 5.699 -2.511 15 HB3 GLN 2 HB1 GLN 2 -1.586 5.809 -4.039 16 HG2 GLN 2 HG2 GLN 2 -3.473 4.561 -3.052 17 HG3 GLN 2 HG1 GLN 2 -2.592 4.435 -1.529 18 HE21 GLN 2 HE21 GLN 2 -4.264 6.624 -3.710 19 HE22 GLN 2 HE22 GLN 2 -4.488 7.905 -2.576 20 H LEU 3 HN LEU 3 -0.591 3.872 -6.187 21 HA LEU 3 HA LEU 3 2.278 3.918 -6.403 22 HB2 LEU 3 HB2 LEU 3 -0.018 3.815 -8.303 23 HB3 LEU 3 HB1 LEU 3 1.394 4.631 -8.932 24 HG LEU 3 HG LEU 3 1.364 2.285 -9.604 25 HD11 LEU 3 HD11 LEU 3 3.596 2.890 -7.646 26 HD12 LEU 3 HD12 LEU 3 3.508 3.398 -9.336 27 HD13 LEU 3 HD13 LEU 3 3.634 1.686 -8.943 28 HD21 LEU 3 HD21 LEU 3 1.608 0.453 -7.998 29 HD22 LEU 3 HD22 LEU 3 0.109 1.338 -7.723 30 HD23 LEU 3 HD23 LEU 3 1.488 1.591 -6.651 31 H GLN 4 HN GLN 4 3.377 5.665 -5.811 32 HA GLN 4 HA GLN 4 2.347 8.366 -6.191 33 HB2 GLN 4 HB2 GLN 4 5.061 7.521 -5.090 34 HB3 GLN 4 HB1 GLN 4 4.307 9.112 -4.955 35 HG2 GLN 4 HG2 GLN 4 2.559 8.148 -3.496 36 HG3 GLN 4 HG1 GLN 4 3.316 6.558 -3.635 37 HE21 GLN 4 HE21 GLN 4 5.402 6.249 -2.701 38 HE22 GLN 4 HE22 GLN 4 5.966 7.274 -1.430 39 H LEU 5 HN LEU 5 2.575 9.234 -8.125 40 HA LEU 5 HA LEU 5 4.983 8.718 -9.770 41 HB2 LEU 5 HB2 LEU 5 2.236 9.715 -10.658 42 HB3 LEU 5 HB1 LEU 5 3.593 9.331 -11.711 43 HG LEU 5 HG LEU 5 2.135 7.281 -9.980 44 HD11 LEU 5 HD11 LEU 5 0.622 8.170 -11.679 45 HD12 LEU 5 HD12 LEU 5 1.042 6.492 -12.010 46 HD13 LEU 5 HD13 LEU 5 1.790 7.789 -12.948 47 HD21 LEU 5 HD21 LEU 5 3.315 5.590 -11.331 48 HD22 LEU 5 HD22 LEU 5 4.456 6.630 -10.487 49 HD23 LEU 5 HD23 LEU 5 4.166 6.863 -12.214 50 H VAL 6 HN VAL 6 6.371 10.413 -9.813 51 HA VAL 6 HA VAL 6 5.379 13.148 -9.210 52 HB VAL 6 HB VAL 6 8.224 12.050 -8.928 53 HG11 VAL 6 HG11 VAL 6 7.107 14.783 -8.169 54 HG12 VAL 6 HG12 VAL 6 8.252 14.444 -9.470 55 HG13 VAL 6 HG13 VAL 6 8.735 14.209 -7.789 56 HG21 VAL 6 HG21 VAL 6 6.191 12.694 -6.743 57 HG22 VAL 6 HG22 VAL 6 7.867 12.207 -6.474 58 HG23 VAL 6 HG23 VAL 6 6.732 11.079 -7.214 59 H GLU 7 HN GLU 7 4.867 13.939 -11.164 60 HA GLU 7 HA GLU 7 6.559 13.564 -13.500 61 HB2 GLU 7 HB2 GLU 7 3.986 15.196 -13.256 62 HB3 GLU 7 HB1 GLU 7 4.818 14.782 -14.746 63 HG2 GLU 7 HG2 GLU 7 3.246 13.147 -14.831 64 HG3 GLU 7 HG1 GLU 7 4.410 12.284 -13.839 65 H SER 8 HN SER 8 8.154 14.891 -13.969 66 HA SER 8 HA SER 8 8.272 17.629 -12.879 67 HB2 SER 8 HB2 SER 8 10.582 15.630 -12.971 68 HB3 SER 8 HB1 SER 8 10.597 17.239 -12.247 69 HG SER 8 HG SER 8 8.982 15.053 -11.390 70 H GLY 9 HN GLY 9 8.984 19.126 -14.324 71 HA2 GLY 9 HA2 GLY 9 10.641 19.383 -16.296 72 HA3 GLY 9 HA1 GLY 9 9.552 18.262 -17.104 73 H GLY 10 HN GLY 10 7.857 20.302 -14.989 74 HA2 GLY 10 HA2 GLY 10 6.498 21.686 -17.092 75 HA3 GLY 10 HA1 GLY 10 6.279 21.914 -15.366 76 H GLY 11 HN GLY 11 8.097 22.916 -18.190 77 HA2 GLY 11 HA2 GLY 11 8.722 25.502 -16.877 78 HA3 GLY 11 HA1 GLY 11 10.003 24.614 -17.697 79 H LEU 12 HN LEU 12 9.595 27.060 -18.528 80 HA LEU 12 HA LEU 12 7.810 27.118 -20.844 81 HB2 LEU 12 HB2 LEU 12 8.138 29.088 -19.203 82 HB3 LEU 12 HB1 LEU 12 9.725 29.247 -19.906 83 HG LEU 12 HG LEU 12 8.554 29.553 -22.174 84 HD11 LEU 12 HD11 LEU 12 6.169 29.994 -20.370 85 HD12 LEU 12 HD12 LEU 12 6.361 28.739 -21.598 86 HD13 LEU 12 HD13 LEU 12 6.254 30.429 -22.076 87 HD21 LEU 12 HD21 LEU 12 8.205 31.731 -20.085 88 HD22 LEU 12 HD22 LEU 12 8.215 31.958 -21.837 89 HD23 LEU 12 HD23 LEU 12 9.675 31.411 -21.013 90 H VAL 13 HN VAL 13 8.571 26.454 -22.780 91 HA VAL 13 HA VAL 13 11.373 27.046 -23.543 92 HB VAL 13 HB VAL 13 11.360 25.037 -25.053 93 HG11 VAL 13 HG11 VAL 13 11.768 23.331 -23.301 94 HG12 VAL 13 HG12 VAL 13 10.967 24.360 -22.112 95 HG13 VAL 13 HG13 VAL 13 12.476 24.888 -22.860 96 HG21 VAL 13 HG21 VAL 13 8.790 24.277 -23.611 97 HG22 VAL 13 HG22 VAL 13 9.680 23.234 -24.721 98 HG23 VAL 13 HG23 VAL 13 8.933 24.718 -25.315 99 H GLN 14 HN GLN 14 11.646 27.679 -25.749 100 HA GLN 14 HA GLN 14 9.403 29.148 -26.815 101 HB2 GLN 14 HB2 GLN 14 10.926 30.136 -28.391 102 HB3 GLN 14 HB1 GLN 14 11.788 30.032 -26.866 103 HG2 GLN 14 HG2 GLN 14 12.146 28.142 -29.213 104 HG3 GLN 14 HG1 GLN 14 13.198 29.500 -28.839 105 HE21 GLN 14 HE21 GLN 14 13.829 26.656 -29.080 106 HE22 GLN 14 HE22 GLN 14 14.565 26.206 -27.583 107 H ALA 15 HN ALA 15 8.465 28.897 -28.893 108 HA ALA 15 HA ALA 15 7.879 26.359 -29.892 109 HB1 ALA 15 HB1 ALA 15 6.507 28.355 -30.347 110 HB2 ALA 15 HB2 ALA 15 6.947 27.542 -31.850 111 HB3 ALA 15 HB3 ALA 15 7.787 29.018 -31.367 112 H GLY 16 HN GLY 16 9.191 24.947 -30.819 113 HA2 GLY 16 HA2 GLY 16 10.589 24.210 -32.621 114 HA3 GLY 16 HA1 GLY 16 11.372 25.784 -32.640 115 H GLY 17 HN GLY 17 10.807 24.655 -29.475 116 HA2 GLY 17 HA2 GLY 17 13.649 23.849 -29.152 117 HA3 GLY 17 HA1 GLY 17 12.594 24.474 -27.891 118 H SER 18 HN SER 18 13.576 22.530 -26.796 119 HA SER 18 HA SER 18 11.796 20.193 -27.115 120 HB2 SER 18 HB2 SER 18 13.745 18.716 -26.510 121 HB3 SER 18 HB1 SER 18 13.961 19.528 -28.061 122 HG SER 18 HG SER 18 15.193 20.101 -25.576 123 H LEU 19 HN LEU 19 11.498 18.983 -25.138 124 HA LEU 19 HA LEU 19 12.407 19.996 -22.604 125 HB2 LEU 19 HB2 LEU 19 10.558 21.587 -23.193 126 HB3 LEU 19 HB1 LEU 19 9.451 20.234 -23.316 127 HG LEU 19 HG LEU 19 9.651 19.799 -20.903 128 HD11 LEU 19 HD11 LEU 19 11.972 20.470 -20.516 129 HD12 LEU 19 HD12 LEU 19 10.889 21.294 -19.399 130 HD13 LEU 19 HD13 LEU 19 11.550 22.164 -20.787 131 HD21 LEU 19 HD21 LEU 19 7.924 21.363 -21.675 132 HD22 LEU 19 HD22 LEU 19 9.044 22.716 -21.492 133 HD23 LEU 19 HD23 LEU 19 8.511 21.811 -20.072 134 H ARG 20 HN ARG 20 12.733 18.198 -21.440 135 HA ARG 20 HA ARG 20 11.310 15.712 -22.143 136 HB2 ARG 20 HB2 ARG 20 13.827 15.739 -22.202 137 HB3 ARG 20 HB1 ARG 20 13.833 16.054 -20.469 138 HG2 ARG 20 HG2 ARG 20 12.633 13.867 -20.128 139 HG3 ARG 20 HG1 ARG 20 12.783 13.561 -21.862 140 HD2 ARG 20 HD2 ARG 20 15.044 13.830 -19.844 141 HD3 ARG 20 HD1 ARG 20 14.536 12.357 -20.684 142 HE ARG 20 HE ARG 20 15.338 14.494 -22.452 143 HH11 ARG 20 HH11 ARG 20 16.556 11.765 -20.599 144 HH12 ARG 20 HH12 ARG 20 17.985 11.605 -21.563 145 HH21 ARG 20 HH21 ARG 20 17.180 14.282 -23.698 146 HH22 ARG 20 HH22 ARG 20 18.339 13.040 -23.339 147 H LEU 21 HN LEU 21 9.758 15.013 -20.838 148 HA LEU 21 HA LEU 21 9.466 15.862 -18.082 149 HB2 LEU 21 HB2 LEU 21 7.790 13.982 -19.806 150 HB3 LEU 21 HB1 LEU 21 7.421 14.360 -18.135 151 HG LEU 21 HG LEU 21 5.950 15.692 -19.435 152 HD11 LEU 21 HD11 LEU 21 6.504 17.950 -18.840 153 HD12 LEU 21 HD12 LEU 21 8.204 17.532 -18.636 154 HD13 LEU 21 HD13 LEU 21 6.990 16.860 -17.545 155 HD21 LEU 21 HD21 LEU 21 6.618 17.172 -21.260 156 HD22 LEU 21 HD22 LEU 21 7.051 15.499 -21.608 157 HD23 LEU 21 HD23 LEU 21 8.297 16.640 -21.098 158 H SER 22 HN SER 22 9.281 14.351 -16.381 159 HA SER 22 HA SER 22 10.442 11.674 -16.668 160 HB2 SER 22 HB2 SER 22 11.860 12.129 -14.612 161 HB3 SER 22 HB1 SER 22 12.360 13.063 -16.022 162 HG SER 22 HG SER 22 11.081 14.808 -15.136 163 H CYS 23 HN CYS 23 9.673 10.240 -15.053 164 HA CYS 23 HA CYS 23 7.700 11.248 -13.108 165 HB2 CYS 23 HB2 CYS 23 6.388 10.396 -15.003 166 HB3 CYS 23 HB1 CYS 23 7.260 8.867 -14.960 167 HG CYS 23 HG CYS 23 5.093 7.983 -13.772 168 H VAL 24 HN VAL 24 8.836 10.870 -11.314 169 HA VAL 24 HA VAL 24 10.495 8.505 -10.966 170 HB VAL 24 HB VAL 24 9.838 10.742 -8.991 171 HG11 VAL 24 HG11 VAL 24 11.869 10.016 -7.770 172 HG12 VAL 24 HG12 VAL 24 12.075 8.679 -8.905 173 HG13 VAL 24 HG13 VAL 24 10.663 8.728 -7.846 174 HG21 VAL 24 HG21 VAL 24 10.939 11.678 -10.993 175 HG22 VAL 24 HG22 VAL 24 12.246 10.497 -10.855 176 HG23 VAL 24 HG23 VAL 24 12.036 11.731 -9.610 177 H ALA 25 HN ALA 25 9.683 6.648 -10.207 178 HA ALA 25 HA ALA 25 6.931 6.565 -9.238 179 HB1 ALA 25 HB1 ALA 25 7.089 4.138 -9.659 180 HB2 ALA 25 HB2 ALA 25 8.808 4.304 -10.031 181 HB3 ALA 25 HB3 ALA 25 7.602 5.060 -11.073 182 H SER 26 HN SER 26 7.019 7.234 -7.154 183 HA SER 26 HA SER 26 7.107 7.130 -4.904 184 HB2 SER 26 HB2 SER 26 7.271 4.131 -5.413 185 HB3 SER 26 HB1 SER 26 6.671 4.907 -3.949 186 HG SER 26 HG SER 26 5.511 5.478 -6.466 187 H GLY 27 HN GLY 27 9.480 7.941 -5.754 188 HA2 GLY 27 HA2 GLY 27 11.575 8.358 -4.815 189 HA3 GLY 27 HA1 GLY 27 11.387 6.946 -3.777 190 H ARG 28 HN ARG 28 11.613 4.825 -4.778 191 HA ARG 28 HA ARG 28 12.575 4.350 -7.403 192 HB2 ARG 28 HB2 ARG 28 14.660 5.409 -6.462 193 HB3 ARG 28 HB1 ARG 28 14.693 4.189 -5.195 194 HG2 ARG 28 HG2 ARG 28 14.963 2.431 -6.971 195 HG3 ARG 28 HG1 ARG 28 15.064 3.713 -8.179 196 HD2 ARG 28 HD2 ARG 28 17.296 2.953 -7.596 197 HD3 ARG 28 HD1 ARG 28 17.087 4.607 -7.013 198 HE ARG 28 HE ARG 28 17.091 2.146 -5.366 199 HH11 ARG 28 HH11 ARG 28 17.401 5.653 -5.492 200 HH12 ARG 28 HH12 ARG 28 17.953 5.767 -3.855 201 HH21 ARG 28 HH21 ARG 28 17.819 2.330 -3.244 202 HH22 ARG 28 HH22 ARG 28 18.212 3.885 -2.591 203 H THR 29 HN THR 29 10.875 2.828 -7.155 204 HA THR 29 HA THR 29 11.602 0.342 -5.750 205 HB THR 29 HB THR 29 10.034 1.520 -4.233 206 HG1 THR 29 HG1 THR 29 9.914 -0.817 -4.488 207 HG21 THR 29 HG21 THR 29 8.798 2.885 -5.888 208 HG22 THR 29 HG22 THR 29 7.698 1.948 -4.877 209 HG23 THR 29 HG23 THR 29 8.036 1.422 -6.526 210 H PHE 30 HN PHE 30 10.516 -1.533 -6.596 211 HA PHE 30 HA PHE 30 9.779 -1.279 -9.457 212 HB2 PHE 30 HB2 PHE 30 10.873 -3.679 -7.901 213 HB3 PHE 30 HB1 PHE 30 10.450 -3.695 -9.610 214 HD1 PHE 30 HD1 PHE 30 11.957 -2.832 -11.265 215 HD2 PHE 30 HD2 PHE 30 12.844 -2.289 -7.119 216 HE1 PHE 30 HE1 PHE 30 14.226 -2.086 -11.846 217 HE2 PHE 30 HE2 PHE 30 15.117 -1.544 -7.713 218 HZ PHE 30 HZ PHE 30 15.805 -1.444 -10.074 219 H ARG 31 HN ARG 31 7.719 -1.485 -9.838 220 HA ARG 31 HA ARG 31 5.983 -3.497 -8.919 221 HB2 ARG 31 HB2 ARG 31 4.387 -2.158 -7.587 222 HB3 ARG 31 HB1 ARG 31 5.962 -2.234 -6.803 223 HG2 ARG 31 HG2 ARG 31 6.467 0.056 -7.648 224 HG3 ARG 31 HG1 ARG 31 4.851 0.126 -8.366 225 HD2 ARG 31 HD2 ARG 31 5.549 -0.079 -5.415 226 HD3 ARG 31 HD1 ARG 31 4.815 1.298 -6.243 227 HE ARG 31 HE ARG 31 2.987 -0.560 -6.739 228 HH11 ARG 31 HH11 ARG 31 4.598 0.137 -3.700 229 HH12 ARG 31 HH12 ARG 31 3.278 -0.432 -2.736 230 HH21 ARG 31 HH21 ARG 31 1.263 -1.296 -5.446 231 HH22 ARG 31 HH22 ARG 31 1.405 -1.259 -3.722 232 H SER 32 HN SER 32 3.727 -3.107 -9.714 233 HA SER 32 HA SER 32 2.357 -2.903 -11.484 234 HB2 SER 32 HB2 SER 32 3.740 -0.221 -11.963 235 HB3 SER 32 HB1 SER 32 2.221 -0.738 -12.701 236 HG SER 32 HG SER 32 2.341 -0.872 -9.928 237 H ASN 33 HN ASN 33 2.409 -2.479 -14.046 238 HA ASN 33 HA ASN 33 4.996 -3.128 -15.268 239 HB2 ASN 33 HB2 ASN 33 4.028 -5.088 -16.513 240 HB3 ASN 33 HB1 ASN 33 4.187 -5.358 -14.783 241 HD21 ASN 33 HD21 ASN 33 2.315 -5.506 -13.509 242 HD22 ASN 33 HD22 ASN 33 0.754 -5.774 -14.197 243 H ALA 34 HN ALA 34 2.821 -1.015 -15.190 244 HA ALA 34 HA ALA 34 3.042 -0.283 -17.985 245 HB1 ALA 34 HB1 ALA 34 0.297 -0.563 -16.698 246 HB2 ALA 34 HB2 ALA 34 0.943 -1.574 -17.988 247 HB3 ALA 34 HB3 ALA 34 0.625 0.133 -18.290 248 H MET 35 HN MET 35 3.659 1.786 -17.945 249 HA MET 35 HA MET 35 2.277 3.751 -16.280 250 HB2 MET 35 HB2 MET 35 5.316 3.592 -16.602 251 HB3 MET 35 HB1 MET 35 4.466 4.967 -15.911 252 HG2 MET 35 HG2 MET 35 3.718 3.611 -14.033 253 HG3 MET 35 HG1 MET 35 4.425 2.167 -14.760 254 HE1 MET 35 HE1 MET 35 5.046 2.878 -11.770 255 HE2 MET 35 HE2 MET 35 6.789 2.611 -11.737 256 HE3 MET 35 HE3 MET 35 5.746 1.516 -12.646 257 H GLY 36 HN GLY 36 1.425 5.220 -17.643 258 HA2 GLY 36 HA2 GLY 36 2.662 5.694 -20.304 259 HA3 GLY 36 HA1 GLY 36 0.929 5.524 -20.065 260 H TRP 37 HN TRP 37 1.536 7.702 -21.341 261 HA TRP 37 HA TRP 37 1.532 9.923 -19.384 262 HB2 TRP 37 HB2 TRP 37 2.650 9.899 -22.226 263 HB3 TRP 37 HB1 TRP 37 2.512 11.340 -21.224 264 HD1 TRP 37 HD1 TRP 37 4.730 8.310 -21.783 265 HE1 TRP 37 HE1 TRP 37 6.825 8.510 -20.311 266 HE3 TRP 37 HE3 TRP 37 3.284 12.249 -18.838 267 HZ2 TRP 37 HZ2 TRP 37 7.739 10.106 -18.175 268 HZ3 TRP 37 HZ3 TRP 37 4.832 13.044 -17.093 269 HH2 TRP 37 HH2 TRP 37 7.018 11.992 -16.768 270 H PHE 38 HN PHE 38 -0.073 11.331 -19.498 271 HA PHE 38 HA PHE 38 -1.811 11.575 -21.876 272 HB2 PHE 38 HB2 PHE 38 -2.677 11.872 -18.953 273 HB3 PHE 38 HB1 PHE 38 -3.697 12.181 -20.346 274 HD1 PHE 38 HD1 PHE 38 -1.817 9.454 -18.594 275 HD2 PHE 38 HD2 PHE 38 -5.014 10.436 -21.253 276 HE1 PHE 38 HE1 PHE 38 -2.599 7.122 -18.530 277 HE2 PHE 38 HE2 PHE 38 -5.783 8.102 -21.180 278 HZ PHE 38 HZ PHE 38 -4.577 6.443 -19.822 279 H ARG 39 HN ARG 39 -2.798 13.850 -21.938 280 HA ARG 39 HA ARG 39 -1.451 15.907 -20.381 281 HB2 ARG 39 HB2 ARG 39 -0.533 17.146 -22.244 282 HB3 ARG 39 HB1 ARG 39 0.114 15.524 -22.260 283 HG2 ARG 39 HG2 ARG 39 -0.273 15.705 -24.501 284 HG3 ARG 39 HG1 ARG 39 -1.883 15.150 -24.042 285 HD2 ARG 39 HD2 ARG 39 -2.717 17.449 -24.067 286 HD3 ARG 39 HD1 ARG 39 -1.089 18.071 -24.362 287 HE ARG 39 HE ARG 39 -2.760 16.552 -26.280 288 HH11 ARG 39 HH11 ARG 39 0.127 18.502 -25.702 289 HH12 ARG 39 HH12 ARG 39 0.320 18.917 -27.371 290 HH21 ARG 39 HH21 ARG 39 -2.477 17.074 -28.443 291 HH22 ARG 39 HH22 ARG 39 -1.184 18.116 -28.934 292 H GLN 40 HN GLN 40 -2.660 17.732 -20.136 293 HA GLN 40 HA GLN 40 -5.179 17.958 -21.678 294 HB2 GLN 40 HB2 GLN 40 -5.680 17.116 -19.438 295 HB3 GLN 40 HB1 GLN 40 -4.726 18.392 -18.695 296 HG2 GLN 40 HG2 GLN 40 -6.321 20.072 -19.399 297 HG3 GLN 40 HG1 GLN 40 -7.223 18.881 -20.336 298 HE21 GLN 40 HE21 GLN 40 -9.122 19.291 -19.230 299 HE22 GLN 40 HE22 GLN 40 -9.394 18.784 -17.602 300 H ALA 41 HN ALA 41 -5.448 19.867 -22.631 301 HA ALA 41 HA ALA 41 -3.592 22.086 -22.066 302 HB1 ALA 41 HB1 ALA 41 -3.649 21.238 -24.377 303 HB2 ALA 41 HB2 ALA 41 -4.242 22.900 -24.308 304 HB3 ALA 41 HB3 ALA 41 -5.379 21.559 -24.470 305 HA PRO 42 HA PRO 42 -6.796 24.799 -20.329 306 HB2 PRO 42 HB2 PRO 42 -5.911 26.830 -22.387 307 HB3 PRO 42 HB1 PRO 42 -6.118 27.021 -20.637 308 HG2 PRO 42 HG2 PRO 42 -3.674 26.788 -21.656 309 HG3 PRO 42 HG1 PRO 42 -4.089 25.942 -20.149 310 HD2 PRO 42 HD2 PRO 42 -3.851 24.829 -22.943 311 HD3 PRO 42 HD1 PRO 42 -3.320 24.127 -21.398 312 H GLY 43 HN GLY 43 -8.876 24.339 -20.765 313 HA2 GLY 43 HA2 GLY 43 -10.943 24.676 -21.816 314 HA3 GLY 43 HA1 GLY 43 -10.131 25.156 -23.296 315 H LYS 44 HN LYS 44 -8.558 22.434 -22.451 316 HA LYS 44 HA LYS 44 -10.297 20.663 -24.084 317 HB2 LYS 44 HB2 LYS 44 -7.248 20.616 -23.873 318 HB3 LYS 44 HB1 LYS 44 -8.236 19.602 -24.920 319 HG2 LYS 44 HG2 LYS 44 -8.211 22.624 -25.213 320 HG3 LYS 44 HG1 LYS 44 -6.966 21.623 -25.950 321 HD2 LYS 44 HD2 LYS 44 -8.588 22.071 -27.654 322 HD3 LYS 44 HD1 LYS 44 -8.788 20.386 -27.189 323 HE2 LYS 44 HE2 LYS 44 -10.795 20.914 -25.934 324 HE3 LYS 44 HE1 LYS 44 -10.557 22.643 -26.172 325 HZ1 LYS 44 HZ1 LYS 44 -12.221 21.723 -27.657 326 HZ2 LYS 44 HZ2 LYS 44 -11.075 20.671 -28.323 327 HZ3 LYS 44 HZ3 LYS 44 -10.907 22.340 -28.520 328 H GLU 45 HN GLU 45 -10.060 18.340 -23.630 329 HA GLU 45 HA GLU 45 -9.848 17.689 -20.789 330 HB2 GLU 45 HB2 GLU 45 -10.695 15.479 -21.452 331 HB3 GLU 45 HB1 GLU 45 -11.687 16.739 -22.182 332 HG2 GLU 45 HG2 GLU 45 -10.621 16.409 -24.334 333 HG3 GLU 45 HG1 GLU 45 -9.463 15.277 -23.639 334 H ARG 46 HN ARG 46 -8.639 15.480 -20.284 335 HA ARG 46 HA ARG 46 -5.942 15.662 -21.308 336 HB2 ARG 46 HB2 ARG 46 -5.232 14.066 -19.715 337 HB3 ARG 46 HB1 ARG 46 -6.420 15.046 -18.882 338 HG2 ARG 46 HG2 ARG 46 -7.031 12.300 -20.019 339 HG3 ARG 46 HG1 ARG 46 -6.432 12.562 -18.383 340 HD2 ARG 46 HD2 ARG 46 -8.732 12.376 -18.057 341 HD3 ARG 46 HD1 ARG 46 -8.511 14.124 -18.122 342 HE ARG 46 HE ARG 46 -9.123 13.130 -20.703 343 HH11 ARG 46 HH11 ARG 46 -10.678 13.835 -17.632 344 HH12 ARG 46 HH12 ARG 46 -12.263 13.914 -18.327 345 HH21 ARG 46 HH21 ARG 46 -11.208 13.202 -21.584 346 HH22 ARG 46 HH22 ARG 46 -12.560 13.553 -20.556 347 H GLU 47 HN GLU 47 -5.047 14.475 -22.827 348 HA GLU 47 HA GLU 47 -6.595 12.399 -24.234 349 HB2 GLU 47 HB2 GLU 47 -6.322 14.451 -25.586 350 HB3 GLU 47 HB1 GLU 47 -4.583 14.415 -25.339 351 HG2 GLU 47 HG2 GLU 47 -5.114 13.637 -27.571 352 HG3 GLU 47 HG1 GLU 47 -4.431 12.317 -26.629 353 H PHE 48 HN PHE 48 -5.582 10.548 -24.720 354 HA PHE 48 HA PHE 48 -3.346 9.634 -23.228 355 HB2 PHE 48 HB2 PHE 48 -5.228 8.179 -23.825 356 HB3 PHE 48 HB1 PHE 48 -4.933 8.425 -25.539 357 HD1 PHE 48 HD1 PHE 48 -3.563 6.887 -26.722 358 HD2 PHE 48 HD2 PHE 48 -3.394 6.967 -22.448 359 HE1 PHE 48 HE1 PHE 48 -2.191 4.846 -26.731 360 HE2 PHE 48 HE2 PHE 48 -2.022 4.925 -22.470 361 HZ PHE 48 HZ PHE 48 -1.422 3.867 -24.610 362 H VAL 49 HN VAL 49 -1.350 10.377 -23.674 363 HA VAL 49 HA VAL 49 -0.411 11.044 -26.323 364 HB VAL 49 HB VAL 49 1.210 10.742 -23.741 365 HG11 VAL 49 HG11 VAL 49 2.955 12.103 -24.855 366 HG12 VAL 49 HG12 VAL 49 2.013 12.112 -26.347 367 HG13 VAL 49 HG13 VAL 49 2.670 10.595 -25.729 368 HG21 VAL 49 HG21 VAL 49 0.037 13.263 -24.973 369 HG22 VAL 49 HG22 VAL 49 1.101 13.208 -23.566 370 HG23 VAL 49 HG23 VAL 49 -0.504 12.479 -23.487 371 H ALA 50 HN ALA 50 0.449 8.563 -23.897 372 HA ALA 50 HA ALA 50 0.954 6.515 -25.825 373 HB1 ALA 50 HB1 ALA 50 2.976 7.879 -26.196 374 HB2 ALA 50 HB2 ALA 50 3.389 6.304 -25.518 375 HB3 ALA 50 HB3 ALA 50 3.396 7.740 -24.488 376 H ALA 51 HN ALA 51 2.148 4.634 -24.755 377 HA ALA 51 HA ALA 51 1.787 4.383 -21.856 378 HB1 ALA 51 HB1 ALA 51 0.664 2.189 -22.096 379 HB2 ALA 51 HB2 ALA 51 0.627 2.387 -23.853 380 HB3 ALA 51 HB3 ALA 51 -0.300 3.477 -22.821 381 H ILE 52 HN ILE 52 3.523 3.428 -20.968 382 HA ILE 52 HA ILE 52 5.363 1.819 -22.623 383 HB ILE 52 HB ILE 52 6.112 3.226 -20.016 384 HG12 ILE 52 HG12 ILE 52 7.572 4.726 -21.594 385 HG13 ILE 52 HG11 ILE 52 6.487 4.202 -22.876 386 HG21 ILE 52 HG21 ILE 52 7.857 1.869 -22.102 387 HG22 ILE 52 HG22 ILE 52 7.456 1.229 -20.507 388 HG23 ILE 52 HG23 ILE 52 8.439 2.687 -20.651 389 HD11 ILE 52 HD11 ILE 52 5.672 5.688 -20.380 390 HD12 ILE 52 HD12 ILE 52 4.612 5.241 -21.719 391 HD13 ILE 52 HD13 ILE 52 5.918 6.398 -21.973 392 H ARG 53 HN ARG 53 5.168 -0.300 -22.202 393 HA ARG 53 HA ARG 53 4.315 -1.164 -19.497 394 HB2 ARG 53 HB2 ARG 53 3.609 -2.302 -22.223 395 HB3 ARG 53 HB1 ARG 53 3.532 -3.309 -20.776 396 HG2 ARG 53 HG2 ARG 53 1.964 -1.650 -19.754 397 HG3 ARG 53 HG1 ARG 53 1.974 -0.746 -21.268 398 HD2 ARG 53 HD2 ARG 53 1.160 -3.664 -21.173 399 HD3 ARG 53 HD1 ARG 53 0.009 -2.378 -20.796 400 HE ARG 53 HE ARG 53 1.242 -2.943 -23.408 401 HH11 ARG 53 HH11 ARG 53 -0.975 -0.953 -21.538 402 HH12 ARG 53 HH12 ARG 53 -1.828 -0.391 -22.935 403 HH21 ARG 53 HH21 ARG 53 0.095 -2.172 -25.252 404 HH22 ARG 53 HH22 ARG 53 -1.235 -1.083 -25.026 405 H TRP 54 HN TRP 54 5.057 -3.380 -18.900 406 HA TRP 54 HA TRP 54 7.826 -3.815 -19.077 407 HB2 TRP 54 HB2 TRP 54 6.231 -4.809 -17.344 408 HB3 TRP 54 HB1 TRP 54 5.681 -5.943 -18.569 409 HD1 TRP 54 HD1 TRP 54 8.640 -5.233 -16.237 410 HE1 TRP 54 HE1 TRP 54 10.205 -7.269 -16.203 411 HE3 TRP 54 HE3 TRP 54 6.500 -8.023 -19.972 412 HZ2 TRP 54 HZ2 TRP 54 10.521 -9.707 -17.547 413 HZ3 TRP 54 HZ3 TRP 54 7.504 -10.205 -20.530 414 HH2 TRP 54 HH2 TRP 54 9.476 -11.030 -19.337 415 H SER 55 HN SER 55 5.089 -5.035 -20.940 416 HA SER 55 HA SER 55 6.669 -5.419 -23.318 417 HB2 SER 55 HB2 SER 55 7.000 -7.608 -22.143 418 HB3 SER 55 HB1 SER 55 5.251 -7.826 -22.074 419 HG SER 55 HG SER 55 5.660 -8.836 -23.896 420 H GLY 56 HN GLY 56 5.383 -5.310 -25.174 421 HA2 GLY 56 HA2 GLY 56 3.482 -5.373 -26.504 422 HA3 GLY 56 HA1 GLY 56 2.515 -5.750 -25.093 423 H GLY 57 HN GLY 57 4.658 -2.973 -25.256 424 HA2 GLY 57 HA2 GLY 57 2.620 -1.075 -26.110 425 HA3 GLY 57 HA1 GLY 57 3.029 -0.975 -24.392 426 H SER 58 HN SER 58 4.361 0.732 -24.134 427 HA SER 58 HA SER 58 6.261 1.927 -24.050 428 HB2 SER 58 HB2 SER 58 7.489 -0.369 -25.609 429 HB3 SER 58 HB1 SER 58 8.390 0.868 -24.724 430 HG SER 58 HG SER 58 8.060 -0.254 -22.977 431 H THR 59 HN THR 59 4.456 1.943 -26.612 432 HA THR 59 HA THR 59 5.892 4.002 -28.049 433 HB THR 59 HB THR 59 5.512 2.710 -30.334 434 HG1 THR 59 HG1 THR 59 5.985 0.453 -28.672 435 HG21 THR 59 HG21 THR 59 7.775 3.372 -29.575 436 HG22 THR 59 HG22 THR 59 7.783 1.790 -30.359 437 HG23 THR 59 HG23 THR 59 7.874 1.902 -28.601 438 H TYR 60 HN TYR 60 4.355 5.462 -28.437 439 HA TYR 60 HA TYR 60 2.099 4.888 -30.133 440 HB2 TYR 60 HB2 TYR 60 1.585 5.860 -27.293 441 HB3 TYR 60 HB1 TYR 60 0.483 6.255 -28.593 442 HD1 TYR 60 HD1 TYR 60 -0.584 4.273 -29.897 443 HD2 TYR 60 HD2 TYR 60 1.278 3.831 -26.068 444 HE1 TYR 60 HE1 TYR 60 -1.816 2.179 -29.525 445 HE2 TYR 60 HE2 TYR 60 0.039 1.735 -25.714 446 HH TYR 60 HH TYR 60 -2.171 0.740 -26.589 447 H TYR 61 HN TYR 61 2.539 6.378 -31.639 448 HA TYR 61 HA TYR 61 2.303 9.163 -31.130 449 HB2 TYR 61 HB2 TYR 61 4.589 9.835 -32.056 450 HB3 TYR 61 HB1 TYR 61 4.606 9.153 -30.439 451 HD1 TYR 61 HD1 TYR 61 5.587 6.908 -30.025 452 HD2 TYR 61 HD2 TYR 61 5.654 8.644 -33.933 453 HE1 TYR 61 HE1 TYR 61 7.265 5.258 -30.724 454 HE2 TYR 61 HE2 TYR 61 7.335 6.991 -34.629 455 HH TYR 61 HH TYR 61 7.999 4.218 -32.909 456 H ALA 62 HN ALA 62 1.541 10.170 -32.885 457 HA ALA 62 HA ALA 62 1.244 8.810 -35.438 458 HB1 ALA 62 HB1 ALA 62 -0.638 10.108 -34.488 459 HB2 ALA 62 HB2 ALA 62 -0.143 10.762 -36.048 460 HB3 ALA 62 HB3 ALA 62 0.329 11.584 -34.559 461 H ASP 63 HN ASP 63 1.724 10.183 -37.502 462 HA ASP 63 HA ASP 63 4.483 10.576 -37.782 463 HB2 ASP 63 HB2 ASP 63 2.207 11.600 -39.524 464 HB3 ASP 63 HB1 ASP 63 3.895 11.643 -39.996 465 H SER 64 HN SER 64 1.940 12.900 -37.049 466 HA SER 64 HA SER 64 3.366 15.306 -37.517 467 HB2 SER 64 HB2 SER 64 1.010 14.795 -35.650 468 HB3 SER 64 HB1 SER 64 1.549 16.387 -36.206 469 HG SER 64 HG SER 64 -0.035 14.602 -37.445 470 H VAL 65 HN VAL 65 3.245 13.151 -34.730 471 HA VAL 65 HA VAL 65 5.092 14.915 -33.208 472 HB VAL 65 HB VAL 65 4.303 13.787 -31.138 473 HG11 VAL 65 HG11 VAL 65 2.075 14.865 -30.995 474 HG12 VAL 65 HG12 VAL 65 2.042 15.037 -32.751 475 HG13 VAL 65 HG13 VAL 65 3.249 15.909 -31.805 476 HG21 VAL 65 HG21 VAL 65 3.595 11.622 -32.068 477 HG22 VAL 65 HG22 VAL 65 2.269 12.395 -32.936 478 HG23 VAL 65 HG23 VAL 65 2.262 12.352 -31.169 479 H LYS 66 HN LYS 66 5.417 12.604 -35.288 480 HA LYS 66 HA LYS 66 6.943 10.569 -33.914 481 HB2 LYS 66 HB2 LYS 66 5.721 10.071 -36.009 482 HB3 LYS 66 HB1 LYS 66 6.711 11.233 -36.886 483 HG2 LYS 66 HG2 LYS 66 8.706 9.846 -36.518 484 HG3 LYS 66 HG1 LYS 66 7.749 8.692 -35.582 485 HD2 LYS 66 HD2 LYS 66 7.317 9.367 -38.519 486 HD3 LYS 66 HD1 LYS 66 8.160 7.937 -37.923 487 HE2 LYS 66 HE2 LYS 66 6.068 7.169 -36.832 488 HE3 LYS 66 HE1 LYS 66 5.233 8.606 -37.430 489 HZ1 LYS 66 HZ1 LYS 66 6.491 6.531 -39.137 490 HZ2 LYS 66 HZ2 LYS 66 5.616 7.876 -39.680 491 HZ3 LYS 66 HZ3 LYS 66 4.838 6.656 -38.806 492 H GLY 67 HN GLY 67 9.051 10.679 -33.370 493 HA2 GLY 67 HA2 GLY 67 11.303 11.288 -33.441 494 HA3 GLY 67 HA1 GLY 67 10.965 12.456 -34.703 495 H ARG 68 HN ARG 68 8.735 13.628 -33.181 496 HA ARG 68 HA ARG 68 10.074 15.493 -31.471 497 HB2 ARG 68 HB2 ARG 68 7.137 15.029 -32.132 498 HB3 ARG 68 HB1 ARG 68 7.689 16.320 -31.069 499 HG2 ARG 68 HG2 ARG 68 8.903 17.362 -32.905 500 HG3 ARG 68 HG1 ARG 68 8.484 16.020 -33.978 501 HD2 ARG 68 HD2 ARG 68 7.059 18.060 -34.299 502 HD3 ARG 68 HD1 ARG 68 6.146 16.600 -33.910 503 HE ARG 68 HE ARG 68 6.789 18.212 -31.605 504 HH11 ARG 68 HH11 ARG 68 4.437 17.754 -34.188 505 HH12 ARG 68 HH12 ARG 68 3.170 18.567 -33.326 506 HH21 ARG 68 HH21 ARG 68 5.101 19.260 -30.492 507 HH22 ARG 68 HH22 ARG 68 3.546 19.419 -31.239 508 H PHE 69 HN PHE 69 7.154 13.600 -30.747 509 HA PHE 69 HA PHE 69 7.833 13.466 -27.926 510 HB2 PHE 69 HB2 PHE 69 5.377 12.694 -29.557 511 HB3 PHE 69 HB1 PHE 69 5.510 12.323 -27.838 512 HD1 PHE 69 HD1 PHE 69 4.547 13.873 -26.344 513 HD2 PHE 69 HD2 PHE 69 5.897 15.273 -30.154 514 HE1 PHE 69 HE1 PHE 69 3.740 16.135 -25.818 515 HE2 PHE 69 HE2 PHE 69 5.088 17.529 -29.607 516 HZ PHE 69 HZ PHE 69 4.011 17.960 -27.438 517 H THR 70 HN THR 70 8.895 11.839 -27.107 518 HA THR 70 HA THR 70 8.801 9.120 -28.224 519 HB THR 70 HB THR 70 11.393 10.572 -27.474 520 HG1 THR 70 HG1 THR 70 10.010 10.728 -29.716 521 HG21 THR 70 HG21 THR 70 12.521 8.587 -28.418 522 HG22 THR 70 HG22 THR 70 10.955 7.833 -28.723 523 HG23 THR 70 HG23 THR 70 11.483 8.127 -27.064 524 H ILE 71 HN ILE 71 8.757 7.603 -26.636 525 HA ILE 71 HA ILE 71 8.828 8.521 -23.830 526 HB ILE 71 HB ILE 71 7.195 6.715 -23.304 527 HG12 ILE 71 HG12 ILE 71 7.603 5.319 -25.427 528 HG13 ILE 71 HG11 ILE 71 5.936 5.492 -24.914 529 HG21 ILE 71 HG21 ILE 71 5.200 7.903 -24.106 530 HG22 ILE 71 HG22 ILE 71 6.195 8.804 -25.254 531 HG23 ILE 71 HG23 ILE 71 6.444 9.004 -23.518 532 HD11 ILE 71 HD11 ILE 71 5.566 7.158 -26.676 533 HD12 ILE 71 HD12 ILE 71 6.135 5.623 -27.322 534 HD13 ILE 71 HD13 ILE 71 7.243 6.983 -27.193 535 H SER 72 HN SER 72 9.846 7.303 -22.355 536 HA SER 72 HA SER 72 11.207 4.808 -23.009 537 HB2 SER 72 HB2 SER 72 12.745 7.330 -22.197 538 HB3 SER 72 HB1 SER 72 13.444 5.726 -22.376 539 HG SER 72 HG SER 72 12.149 6.321 -24.630 540 H ARG 73 HN ARG 73 12.490 4.098 -20.990 541 HA ARG 73 HA ARG 73 11.758 5.316 -18.457 542 HB2 ARG 73 HB2 ARG 73 10.957 3.202 -17.430 543 HB3 ARG 73 HB1 ARG 73 9.896 3.709 -18.746 544 HG2 ARG 73 HG2 ARG 73 10.897 2.050 -20.238 545 HG3 ARG 73 HG1 ARG 73 12.059 1.596 -18.989 546 HD2 ARG 73 HD2 ARG 73 10.254 0.745 -17.573 547 HD3 ARG 73 HD1 ARG 73 9.050 1.261 -18.758 548 HE ARG 73 HE ARG 73 10.110 -0.351 -20.336 549 HH11 ARG 73 HH11 ARG 73 10.496 -0.899 -16.877 550 HH12 ARG 73 HH12 ARG 73 10.745 -2.602 -17.059 551 HH21 ARG 73 HH21 ARG 73 10.473 -2.568 -20.551 552 HH22 ARG 73 HH22 ARG 73 10.739 -3.548 -19.150 553 H ASP 74 HN ASP 74 13.159 4.735 -16.808 554 HA ASP 74 HA ASP 74 15.521 3.091 -17.429 555 HB2 ASP 74 HB2 ASP 74 15.449 5.868 -16.174 556 HB3 ASP 74 HB1 ASP 74 16.833 4.790 -16.017 557 H ASN 75 HN ASN 75 15.061 1.379 -16.231 558 HA ASN 75 HA ASN 75 13.568 1.375 -13.802 559 HB2 ASN 75 HB2 ASN 75 15.276 -0.823 -15.046 560 HB3 ASN 75 HB1 ASN 75 14.073 -1.054 -13.781 561 HD21 ASN 75 HD21 ASN 75 14.292 -2.146 -16.543 562 HD22 ASN 75 HD22 ASN 75 12.788 -1.780 -17.302 563 H ALA 76 HN ALA 76 16.859 1.979 -14.476 564 HA ALA 76 HA ALA 76 18.310 1.027 -12.297 565 HB1 ALA 76 HB1 ALA 76 19.934 2.821 -12.826 566 HB2 ALA 76 HB2 ALA 76 18.717 3.639 -13.814 567 HB3 ALA 76 HB3 ALA 76 19.325 2.057 -14.297 568 H LYS 77 HN LYS 77 16.654 4.170 -12.634 569 HA LYS 77 HA LYS 77 16.645 4.503 -9.694 570 HB2 LYS 77 HB2 LYS 77 16.449 6.970 -10.096 571 HB3 LYS 77 HB1 LYS 77 17.979 6.283 -10.609 572 HG2 LYS 77 HG2 LYS 77 15.760 6.747 -12.614 573 HG3 LYS 77 HG1 LYS 77 16.802 8.073 -12.094 574 HD2 LYS 77 HD2 LYS 77 18.797 6.715 -12.834 575 HD3 LYS 77 HD1 LYS 77 17.680 5.504 -13.478 576 HE2 LYS 77 HE2 LYS 77 18.447 6.977 -15.271 577 HE3 LYS 77 HE1 LYS 77 16.725 7.226 -14.993 578 HZ1 LYS 77 HZ1 LYS 77 18.937 8.976 -14.078 579 HZ2 LYS 77 HZ2 LYS 77 17.315 9.189 -13.652 580 HZ3 LYS 77 HZ3 LYS 77 17.787 9.322 -15.268 581 H ASN 78 HN ASN 78 14.737 3.363 -11.933 582 HA ASN 78 HA ASN 78 12.535 3.126 -12.364 583 HB2 ASN 78 HB2 ASN 78 12.362 3.820 -9.407 584 HB3 ASN 78 HB1 ASN 78 11.014 3.173 -10.341 585 HD21 ASN 78 HD21 ASN 78 11.134 1.013 -11.096 586 HD22 ASN 78 HD22 ASN 78 12.212 -0.121 -10.379 587 H THR 79 HN THR 79 12.956 5.100 -13.706 588 HA THR 79 HA THR 79 10.934 7.157 -13.111 589 HB THR 79 HB THR 79 13.772 7.806 -14.063 590 HG1 THR 79 HG1 THR 79 12.718 7.561 -11.562 591 HG21 THR 79 HG21 THR 79 13.117 10.170 -13.792 592 HG22 THR 79 HG22 THR 79 11.479 9.679 -13.360 593 HG23 THR 79 HG23 THR 79 12.090 9.375 -14.989 594 H VAL 80 HN VAL 80 9.674 7.556 -14.845 595 HA VAL 80 HA VAL 80 10.336 6.368 -17.465 596 HB VAL 80 HB VAL 80 7.657 7.296 -16.338 597 HG11 VAL 80 HG11 VAL 80 6.606 6.199 -18.302 598 HG12 VAL 80 HG12 VAL 80 8.207 5.872 -18.967 599 HG13 VAL 80 HG13 VAL 80 7.653 7.538 -18.785 600 HG21 VAL 80 HG21 VAL 80 8.717 4.476 -16.747 601 HG22 VAL 80 HG22 VAL 80 7.085 4.883 -16.213 602 HG23 VAL 80 HG23 VAL 80 8.471 5.280 -15.194 603 H TYR 81 HN TYR 81 10.617 7.684 -19.229 604 HA TYR 81 HA TYR 81 10.476 10.609 -18.786 605 HB2 TYR 81 HB2 TYR 81 12.379 8.967 -20.506 606 HB3 TYR 81 HB1 TYR 81 12.321 10.727 -20.511 607 HD1 TYR 81 HD1 TYR 81 13.354 7.756 -18.577 608 HD2 TYR 81 HD2 TYR 81 13.149 12.024 -18.578 609 HE1 TYR 81 HE1 TYR 81 14.906 7.832 -16.670 610 HE2 TYR 81 HE2 TYR 81 14.701 12.100 -16.675 611 HH TYR 81 HH TYR 81 15.431 10.649 -14.835 612 H LEU 82 HN LEU 82 9.716 11.958 -20.387 613 HA LEU 82 HA LEU 82 8.840 10.844 -22.983 614 HB2 LEU 82 HB2 LEU 82 6.784 11.170 -21.732 615 HB3 LEU 82 HB1 LEU 82 7.302 12.749 -21.178 616 HG LEU 82 HG LEU 82 7.067 13.649 -23.479 617 HD11 LEU 82 HD11 LEU 82 7.521 11.633 -24.785 618 HD12 LEU 82 HD12 LEU 82 6.005 12.389 -25.268 619 HD13 LEU 82 HD13 LEU 82 5.984 10.937 -24.264 620 HD21 LEU 82 HD21 LEU 82 4.558 12.279 -22.466 621 HD22 LEU 82 HD22 LEU 82 4.611 13.643 -23.588 622 HD23 LEU 82 HD23 LEU 82 5.184 13.842 -21.933 623 H GLN 83 HN GLN 83 10.597 11.615 -24.079 624 HA GLN 83 HA GLN 83 11.550 14.340 -23.811 625 HB2 GLN 83 HB2 GLN 83 13.155 12.535 -24.303 626 HB3 GLN 83 HB1 GLN 83 12.299 12.140 -25.787 627 HG2 GLN 83 HG2 GLN 83 14.335 13.392 -26.269 628 HG3 GLN 83 HG1 GLN 83 12.916 14.315 -26.748 629 HE21 GLN 83 HE21 GLN 83 12.410 16.230 -25.617 630 HE22 GLN 83 HE22 GLN 83 13.526 16.996 -24.544 631 H MET 84 HN MET 84 10.261 15.895 -24.591 632 HA MET 84 HA MET 84 8.759 15.517 -27.102 633 HB2 MET 84 HB2 MET 84 8.555 17.852 -25.167 634 HB3 MET 84 HB1 MET 84 7.436 17.425 -26.450 635 HG2 MET 84 HG2 MET 84 6.886 15.340 -25.145 636 HG3 MET 84 HG1 MET 84 7.853 15.997 -23.820 637 HE1 MET 84 HE1 MET 84 6.973 19.277 -24.456 638 HE2 MET 84 HE2 MET 84 7.295 18.602 -22.858 639 HE3 MET 84 HE3 MET 84 5.759 19.404 -23.184 640 H ASN 85 HN ASN 85 10.283 15.844 -28.667 641 HA ASN 85 HA ASN 85 12.050 18.185 -28.681 642 HB2 ASN 85 HB2 ASN 85 11.782 15.822 -30.582 643 HB3 ASN 85 HB1 ASN 85 12.955 17.119 -30.788 644 HD21 ASN 85 HD21 ASN 85 13.315 14.213 -30.346 645 HD22 ASN 85 HD22 ASN 85 14.338 14.085 -28.960 646 H SER 86 HN SER 86 12.170 19.558 -30.594 647 HA SER 86 HA SER 86 11.279 21.121 -31.984 648 HB2 SER 86 HB2 SER 86 11.833 19.198 -33.486 649 HB3 SER 86 HB1 SER 86 10.167 18.638 -33.371 650 HG SER 86 HG SER 86 9.650 20.856 -34.201 651 H LEU 87 HN LEU 87 9.863 21.775 -30.153 652 HA LEU 87 HA LEU 87 7.146 20.794 -30.070 653 HB2 LEU 87 HB2 LEU 87 8.789 22.633 -28.324 654 HB3 LEU 87 HB1 LEU 87 7.052 22.485 -28.076 655 HG LEU 87 HG LEU 87 8.994 20.134 -27.988 656 HD11 LEU 87 HD11 LEU 87 9.429 21.642 -26.110 657 HD12 LEU 87 HD12 LEU 87 8.702 20.131 -25.568 658 HD13 LEU 87 HD13 LEU 87 7.723 21.598 -25.657 659 HD21 LEU 87 HD21 LEU 87 6.752 19.478 -28.683 660 HD22 LEU 87 HD22 LEU 87 6.040 20.319 -27.303 661 HD23 LEU 87 HD23 LEU 87 7.065 18.910 -27.048 662 H LYS 88 HN LYS 88 5.307 21.982 -30.185 663 HA LYS 88 HA LYS 88 5.336 24.476 -31.764 664 HB2 LYS 88 HB2 LYS 88 3.088 22.453 -31.317 665 HB3 LYS 88 HB1 LYS 88 3.031 23.834 -32.407 666 HG2 LYS 88 HG2 LYS 88 4.836 21.401 -32.706 667 HG3 LYS 88 HG1 LYS 88 3.345 21.693 -33.608 668 HD2 LYS 88 HD2 LYS 88 5.846 23.430 -33.714 669 HD3 LYS 88 HD1 LYS 88 5.390 22.228 -34.924 670 HE2 LYS 88 HE2 LYS 88 3.289 23.546 -35.350 671 HE3 LYS 88 HE1 LYS 88 3.887 24.776 -34.228 672 HZ1 LYS 88 HZ1 LYS 88 4.375 25.359 -36.503 673 HZ2 LYS 88 HZ2 LYS 88 5.214 23.910 -36.735 674 HZ3 LYS 88 HZ3 LYS 88 5.816 25.069 -35.660 675 HA PRO 89 HA PRO 89 3.891 26.763 -28.180 676 HB2 PRO 89 HB2 PRO 89 1.960 28.447 -29.257 677 HB3 PRO 89 HB1 PRO 89 3.703 28.707 -29.422 678 HG2 PRO 89 HG2 PRO 89 1.785 27.400 -31.354 679 HG3 PRO 89 HG1 PRO 89 3.041 28.615 -31.679 680 HD2 PRO 89 HD2 PRO 89 3.496 26.034 -32.212 681 HD3 PRO 89 HD1 PRO 89 4.785 27.042 -31.511 682 H GLU 90 HN GLU 90 1.644 24.943 -30.075 683 HA GLU 90 HA GLU 90 -0.669 25.086 -28.368 684 HB2 GLU 90 HB2 GLU 90 -1.561 23.331 -29.905 685 HB3 GLU 90 HB1 GLU 90 -0.880 24.703 -30.781 686 HG2 GLU 90 HG2 GLU 90 1.271 23.321 -30.977 687 HG3 GLU 90 HG1 GLU 90 0.327 21.947 -30.412 688 H ASP 91 HN ASP 91 2.282 23.534 -27.906 689 HA ASP 91 HA ASP 91 1.167 21.298 -26.339 690 HB2 ASP 91 HB2 ASP 91 4.059 22.023 -26.992 691 HB3 ASP 91 HB1 ASP 91 3.562 20.605 -26.072 692 H THR 92 HN THR 92 0.888 24.194 -25.597 693 HA THR 92 HA THR 92 2.019 24.278 -22.930 694 HB THR 92 HB THR 92 -0.164 25.922 -24.277 695 HG1 THR 92 HG1 THR 92 1.684 26.640 -25.117 696 HG21 THR 92 HG21 THR 92 0.006 27.493 -22.374 697 HG22 THR 92 HG22 THR 92 1.113 26.390 -21.553 698 HG23 THR 92 HG23 THR 92 -0.563 25.911 -21.830 699 H ALA 93 HN ALA 93 1.378 22.547 -21.692 700 HA ALA 93 HA ALA 93 -1.412 22.094 -21.058 701 HB1 ALA 93 HB1 ALA 93 0.090 19.969 -22.645 702 HB2 ALA 93 HB2 ALA 93 -1.272 20.929 -23.225 703 HB3 ALA 93 HB3 ALA 93 -1.507 19.770 -21.916 704 H VAL 94 HN VAL 94 -1.705 20.648 -19.292 705 HA VAL 94 HA VAL 94 0.627 20.071 -17.663 706 HB VAL 94 HB VAL 94 -1.315 20.849 -16.462 707 HG11 VAL 94 HG11 VAL 94 -2.917 18.512 -17.541 708 HG12 VAL 94 HG12 VAL 94 -3.119 20.205 -17.990 709 HG13 VAL 94 HG13 VAL 94 -3.476 19.683 -16.342 710 HG21 VAL 94 HG21 VAL 94 -1.597 19.081 -14.761 711 HG22 VAL 94 HG22 VAL 94 0.086 19.220 -15.279 712 HG23 VAL 94 HG23 VAL 94 -0.916 17.898 -15.882 713 H TYR 95 HN TYR 95 1.850 18.465 -18.407 714 HA TYR 95 HA TYR 95 0.757 15.999 -19.507 715 HB2 TYR 95 HB2 TYR 95 3.572 17.100 -19.190 716 HB3 TYR 95 HB1 TYR 95 3.297 15.421 -19.623 717 HD1 TYR 95 HD1 TYR 95 3.054 14.851 -21.933 718 HD2 TYR 95 HD2 TYR 95 2.363 18.887 -20.716 719 HE1 TYR 95 HE1 TYR 95 2.743 15.515 -24.282 720 HE2 TYR 95 HE2 TYR 95 2.061 19.546 -23.064 721 HH TYR 95 HH TYR 95 2.806 18.660 -25.344 722 H LEU 96 HN LEU 96 0.320 14.300 -18.290 723 HA LEU 96 HA LEU 96 1.547 13.992 -15.625 724 HB2 LEU 96 HB2 LEU 96 -0.620 13.236 -14.729 725 HB3 LEU 96 HB1 LEU 96 -0.685 14.881 -15.313 726 HG LEU 96 HG LEU 96 -1.728 13.759 -17.496 727 HD11 LEU 96 HD11 LEU 96 -2.411 11.678 -15.401 728 HD12 LEU 96 HD12 LEU 96 -1.431 11.433 -16.851 729 HD13 LEU 96 HD13 LEU 96 -3.142 11.816 -17.003 730 HD21 LEU 96 HD21 LEU 96 -2.893 15.401 -16.087 731 HD22 LEU 96 HD22 LEU 96 -3.361 14.127 -14.960 732 HD23 LEU 96 HD23 LEU 96 -3.987 14.119 -16.611 733 H CYS 97 HN CYS 97 1.558 11.810 -14.839 734 HA CYS 97 HA CYS 97 1.719 9.758 -16.941 735 HB2 CYS 97 HB2 CYS 97 3.872 10.278 -15.813 736 HB3 CYS 97 HB1 CYS 97 3.159 9.853 -14.260 737 HG CYS 97 HG CYS 97 3.472 7.655 -16.862 738 H ALA 98 HN ALA 98 1.148 7.574 -16.231 739 HA ALA 98 HA ALA 98 -0.861 7.395 -14.095 740 HB1 ALA 98 HB1 ALA 98 -2.069 8.030 -16.159 741 HB2 ALA 98 HB2 ALA 98 -2.502 6.412 -15.610 742 HB3 ALA 98 HB3 ALA 98 -1.405 6.612 -16.979 743 H ALA 99 HN ALA 99 -0.942 5.342 -13.182 744 HA ALA 99 HA ALA 99 0.946 3.320 -14.246 745 HB1 ALA 99 HB1 ALA 99 1.311 2.577 -11.933 746 HB2 ALA 99 HB2 ALA 99 0.194 3.812 -11.341 747 HB3 ALA 99 HB3 ALA 99 1.708 4.288 -12.112 748 H GLY 100 HN GLY 100 0.035 1.513 -14.907 749 HA2 GLY 100 HA2 GLY 100 -2.439 0.451 -13.681 750 HA3 GLY 100 HA1 GLY 100 -2.244 0.536 -15.430 751 H VAL 101 HN VAL 101 -2.693 -1.819 -15.023 752 HA VAL 101 HA VAL 101 -0.220 -3.370 -14.939 753 HB VAL 101 HB VAL 101 -1.232 -5.091 -13.366 754 HG11 VAL 101 HG11 VAL 101 -0.733 -2.373 -12.101 755 HG12 VAL 101 HG12 VAL 101 0.496 -3.564 -12.528 756 HG13 VAL 101 HG13 VAL 101 -0.676 -3.927 -11.259 757 HG21 VAL 101 HG21 VAL 101 -3.272 -2.915 -12.749 758 HG22 VAL 101 HG22 VAL 101 -3.091 -4.429 -11.860 759 HG23 VAL 101 HG23 VAL 101 -3.604 -4.455 -13.548 760 H TRP 102 HN TRP 102 -0.481 -5.475 -15.861 761 HA TRP 102 HA TRP 102 -2.401 -5.938 -17.853 762 HB2 TRP 102 HB2 TRP 102 -0.284 -7.162 -17.864 763 HB3 TRP 102 HB1 TRP 102 -0.641 -7.898 -16.306 764 HD1 TRP 102 HD1 TRP 102 -2.006 -7.993 -19.962 765 HE1 TRP 102 HE1 TRP 102 -3.001 -10.327 -20.380 766 HE3 TRP 102 HE3 TRP 102 -1.429 -9.996 -15.282 767 HZ2 TRP 102 HZ2 TRP 102 -3.504 -12.691 -18.935 768 HZ3 TRP 102 HZ3 TRP 102 -2.202 -12.303 -14.880 769 HH2 TRP 102 HH2 TRP 102 -3.218 -13.623 -16.675 770 H ARG 103 HN ARG 103 -4.478 -5.905 -17.379 771 HA ARG 103 HA ARG 103 -5.519 -6.793 -14.795 772 HB2 ARG 103 HB2 ARG 103 -6.035 -4.539 -15.758 773 HB3 ARG 103 HB1 ARG 103 -6.877 -5.322 -17.087 774 HG2 ARG 103 HG2 ARG 103 -8.563 -6.192 -15.535 775 HG3 ARG 103 HG1 ARG 103 -7.688 -5.499 -14.164 776 HD2 ARG 103 HD2 ARG 103 -8.038 -3.238 -15.095 777 HD3 ARG 103 HD1 ARG 103 -8.919 -3.930 -16.457 778 HE ARG 103 HE ARG 103 -10.456 -4.830 -14.556 779 HH11 ARG 103 HH11 ARG 103 -8.887 -1.677 -14.514 780 HH12 ARG 103 HH12 ARG 103 -10.195 -0.915 -13.674 781 HH21 ARG 103 HH21 ARG 103 -12.169 -3.792 -13.479 782 HH22 ARG 103 HH22 ARG 103 -12.052 -2.102 -13.099 783 H SER 104 HN SER 104 -7.300 -8.247 -14.609 784 HA SER 104 HA SER 104 -7.093 -10.585 -16.237 785 HB2 SER 104 HB2 SER 104 -9.142 -9.918 -14.076 786 HB3 SER 104 HB1 SER 104 -8.784 -11.531 -14.706 787 HG SER 104 HG SER 104 -7.550 -10.166 -12.768 788 H SER 105 HN SER 105 -9.094 -7.787 -16.487 789 HA SER 105 HA SER 105 -11.278 -8.840 -17.989 790 HB2 SER 105 HB2 SER 105 -11.638 -6.454 -18.633 791 HB3 SER 105 HB1 SER 105 -11.308 -6.607 -16.907 792 HG SER 105 HG SER 105 -10.074 -4.927 -17.777 793 H GLY 106 HN GLY 106 -7.992 -8.064 -18.751 794 HA2 GLY 106 HA2 GLY 106 -6.928 -8.980 -20.732 795 HA3 GLY 106 HA1 GLY 106 -8.400 -8.664 -21.637 796 H TRP 107 HN TRP 107 -8.699 -6.042 -20.242 797 HA TRP 107 HA TRP 107 -6.948 -4.464 -21.995 798 HB2 TRP 107 HB2 TRP 107 -9.426 -3.675 -20.393 799 HB3 TRP 107 HB1 TRP 107 -8.503 -2.575 -21.414 800 HD1 TRP 107 HD1 TRP 107 -11.311 -5.042 -21.576 801 HE1 TRP 107 HE1 TRP 107 -12.079 -5.325 -24.007 802 HE3 TRP 107 HE3 TRP 107 -7.429 -2.688 -23.956 803 HZ2 TRP 107 HZ2 TRP 107 -11.178 -4.672 -26.588 804 HZ3 TRP 107 HZ3 TRP 107 -7.461 -2.567 -26.418 805 HH2 TRP 107 HH2 TRP 107 -9.300 -3.541 -27.709 806 H ASP 108 HN ASP 108 -5.076 -3.750 -21.146 807 HA ASP 108 HA ASP 108 -4.516 -3.309 -18.400 808 HB2 ASP 108 HB2 ASP 108 -2.621 -3.549 -19.866 809 HB3 ASP 108 HB1 ASP 108 -3.196 -2.283 -20.947 810 H THR 109 HN THR 109 -5.253 -1.752 -17.116 811 HA THR 109 HA THR 109 -6.322 0.763 -18.260 812 HB THR 109 HB THR 109 -8.027 0.718 -16.386 813 HG1 THR 109 HG1 THR 109 -6.845 -0.836 -15.083 814 HG21 THR 109 HG21 THR 109 -9.540 -0.939 -17.404 815 HG22 THR 109 HG22 THR 109 -8.191 -1.639 -18.302 816 HG23 THR 109 HG23 THR 109 -8.714 0.014 -18.641 817 HA PRO 110 HA PRO 110 -3.462 2.457 -15.126 818 HB2 PRO 110 HB2 PRO 110 -3.777 5.089 -15.737 819 HB3 PRO 110 HB1 PRO 110 -2.811 4.001 -16.742 820 HG2 PRO 110 HG2 PRO 110 -5.644 4.948 -17.149 821 HG3 PRO 110 HG1 PRO 110 -4.328 4.821 -18.337 822 HD2 PRO 110 HD2 PRO 110 -6.289 2.922 -18.095 823 HD3 PRO 110 HD1 PRO 110 -4.640 2.535 -18.629 824 H ASP 111 HN ASP 111 -4.635 1.834 -13.308 825 HA ASP 111 HA ASP 111 -7.028 3.284 -12.449 826 HB2 ASP 111 HB2 ASP 111 -5.515 0.898 -11.330 827 HB3 ASP 111 HB1 ASP 111 -6.756 1.708 -10.372 828 H TYR 112 HN TYR 112 -3.763 3.840 -12.261 829 HA TYR 112 HA TYR 112 -4.140 5.741 -10.024 830 HB2 TYR 112 HB2 TYR 112 -1.554 4.336 -10.856 831 HB3 TYR 112 HB1 TYR 112 -1.703 5.529 -9.566 832 HD1 TYR 112 HD1 TYR 112 -3.131 4.955 -7.523 833 HD2 TYR 112 HD2 TYR 112 -2.019 2.008 -10.414 834 HE1 TYR 112 HE1 TYR 112 -3.662 3.179 -5.914 835 HE2 TYR 112 HE2 TYR 112 -2.550 0.225 -8.797 836 HH TYR 112 HH TYR 112 -4.295 0.792 -5.949 837 H TRP 113 HN TRP 113 -3.607 7.798 -10.431 838 HA TRP 113 HA TRP 113 -2.000 8.561 -12.788 839 HB2 TRP 113 HB2 TRP 113 -4.580 9.878 -11.808 840 HB3 TRP 113 HB1 TRP 113 -3.434 10.713 -12.848 841 HD1 TRP 113 HD1 TRP 113 -3.236 9.851 -15.401 842 HE1 TRP 113 HE1 TRP 113 -4.887 8.594 -16.909 843 HE3 TRP 113 HE3 TRP 113 -6.412 8.054 -11.812 844 HZ2 TRP 113 HZ2 TRP 113 -7.227 7.064 -16.639 845 HZ3 TRP 113 HZ3 TRP 113 -8.343 6.705 -12.528 846 HH2 TRP 113 HH2 TRP 113 -8.745 6.217 -14.893 847 H GLY 114 HN GLY 114 -0.692 10.431 -12.423 848 HA2 GLY 114 HA2 GLY 114 0.190 10.700 -9.653 849 HA3 GLY 114 HA1 GLY 114 0.967 11.356 -11.087 850 H GLN 115 HN GLN 115 1.246 13.426 -10.437 851 HA GLN 115 HA GLN 115 -1.033 14.991 -9.381 852 HB2 GLN 115 HB2 GLN 115 0.701 16.601 -8.627 853 HB3 GLN 115 HB1 GLN 115 0.995 14.983 -8.002 854 HG2 GLN 115 HG2 GLN 115 2.703 14.652 -9.809 855 HG3 GLN 115 HG1 GLN 115 2.459 16.331 -10.291 856 HE21 GLN 115 HE21 GLN 115 4.883 15.010 -9.329 857 HE22 GLN 115 HE22 GLN 115 5.397 15.890 -7.934 858 H GLY 116 HN GLY 116 1.123 14.714 -12.100 859 HA2 GLY 116 HA2 GLY 116 0.989 15.672 -14.205 860 HA3 GLY 116 HA1 GLY 116 -0.237 16.795 -13.634 861 H THR 117 HN THR 117 1.907 17.572 -15.278 862 HA THR 117 HA THR 117 3.061 19.639 -13.550 863 HB THR 117 HB THR 117 4.817 17.900 -13.634 864 HG1 THR 117 HG1 THR 117 5.859 19.736 -13.491 865 HG21 THR 117 HG21 THR 117 6.029 17.383 -15.716 866 HG22 THR 117 HG22 THR 117 4.859 18.325 -16.647 867 HG23 THR 117 HG23 THR 117 4.348 16.855 -15.813 868 H GLN 118 HN GLN 118 2.875 21.581 -14.453 869 HA GLN 118 HA GLN 118 1.565 21.860 -17.023 870 HB2 GLN 118 HB2 GLN 118 2.357 23.875 -14.881 871 HB3 GLN 118 HB1 GLN 118 1.524 24.322 -16.365 872 HG2 GLN 118 HG2 GLN 118 0.319 22.248 -14.543 873 HG3 GLN 118 HG1 GLN 118 0.188 23.955 -14.143 874 HE21 GLN 118 HE21 GLN 118 0.082 22.845 -17.520 875 HE22 GLN 118 HE22 GLN 118 -1.588 23.179 -17.754 876 H VAL 119 HN VAL 119 3.058 21.467 -18.646 877 HA VAL 119 HA VAL 119 5.473 23.127 -18.821 878 HB VAL 119 HB VAL 119 6.105 21.912 -20.756 879 HG11 VAL 119 HG11 VAL 119 6.000 19.523 -20.088 880 HG12 VAL 119 HG12 VAL 119 4.745 19.918 -18.912 881 HG13 VAL 119 HG13 VAL 119 6.369 20.585 -18.725 882 HG21 VAL 119 HG21 VAL 119 3.289 20.795 -21.001 883 HG22 VAL 119 HG22 VAL 119 4.655 20.349 -22.028 884 HG23 VAL 119 HG23 VAL 119 4.032 21.999 -22.055 885 H THR 120 HN THR 120 5.693 24.811 -20.333 886 HA THR 120 HA THR 120 3.332 25.518 -21.974 887 HB THR 120 HB THR 120 4.967 27.529 -20.342 888 HG1 THR 120 HG1 THR 120 2.410 26.351 -19.933 889 HG21 THR 120 HG21 THR 120 2.469 27.946 -22.042 890 HG22 THR 120 HG22 THR 120 4.090 28.502 -22.454 891 HG23 THR 120 HG23 THR 120 3.261 29.174 -21.050 892 H VAL 121 HN VAL 121 4.091 25.251 -24.016 893 HA VAL 121 HA VAL 121 6.797 26.133 -24.706 894 HB VAL 121 HB VAL 121 4.630 25.130 -26.603 895 HG11 VAL 121 HG11 VAL 121 6.523 24.678 -28.147 896 HG12 VAL 121 HG12 VAL 121 7.649 25.366 -26.972 897 HG13 VAL 121 HG13 VAL 121 6.427 26.392 -27.729 898 HG21 VAL 121 HG21 VAL 121 5.736 22.917 -26.487 899 HG22 VAL 121 HG22 VAL 121 5.101 23.402 -24.914 900 HG23 VAL 121 HG23 VAL 121 6.831 23.525 -25.242 901 H SER 122 HN SER 122 6.853 28.323 -24.424 902 HA SER 122 HA SER 122 4.888 30.204 -25.123 903 HB2 SER 122 HB2 SER 122 6.965 30.587 -23.711 904 HB3 SER 122 HB1 SER 122 7.898 30.677 -25.195 905 HG SER 122 HG SER 122 7.050 32.712 -24.228 906 H SER 123 HN SER 123 4.429 31.379 -26.978 907 HA SER 123 HA SER 123 5.403 30.434 -29.542 908 HB2 SER 123 HB2 SER 123 3.734 32.140 -30.443 909 HB3 SER 123 HB1 SER 123 3.030 30.912 -29.396 910 HG SER 123 HG SER 123 3.284 33.636 -28.999 911 H LEU 124 HN LEU 124 7.628 31.031 -29.063 912 HA LEU 124 HA LEU 124 9.495 32.129 -29.617 913 HB2 LEU 124 HB2 LEU 124 7.560 33.982 -31.015 914 HB3 LEU 124 HB1 LEU 124 9.262 34.384 -30.949 915 HG LEU 124 HG LEU 124 8.799 33.364 -33.081 916 HD11 LEU 124 HD11 LEU 124 10.964 32.856 -32.072 917 HD12 LEU 124 HD12 LEU 124 10.409 31.546 -33.109 918 HD13 LEU 124 HD13 LEU 124 10.305 31.382 -31.352 919 HD21 LEU 124 HD21 LEU 124 6.763 32.125 -32.530 920 HD22 LEU 124 HD22 LEU 124 7.703 30.946 -31.614 921 HD23 LEU 124 HD23 LEU 124 7.928 31.092 -33.360 922 H GLU 125 HN GLU 125 7.325 33.445 -27.404 923 HA GLU 125 HA GLU 125 8.838 35.783 -26.620 924 HB2 GLU 125 HB2 GLU 125 6.402 35.670 -26.227 925 HB3 GLU 125 HB1 GLU 125 6.587 34.248 -25.223 926 HG2 GLU 125 HG2 GLU 125 7.766 36.935 -24.477 927 HG3 GLU 125 HG1 GLU 125 6.122 36.482 -24.058 928 H HIS 126 HN HIS 126 10.302 35.943 -24.894 929 HA HIS 126 HA HIS 126 11.088 33.646 -23.324 930 HB2 HIS 126 HB2 HIS 126 13.460 33.593 -24.177 931 HB3 HIS 126 HB1 HIS 126 12.277 33.050 -25.357 932 HD1 HIS 126 HD1 HIS 126 14.882 35.616 -24.778 933 HD2 HIS 126 HD2 HIS 126 11.917 34.835 -27.570 934 HE1 HIS 126 HE1 HIS 126 15.444 37.037 -26.766 935 HE2 HIS 126 HE2 HIS 126 13.709 36.452 -28.485 936 H HIS 127 HN HIS 127 10.748 34.860 -21.525 937 HA HIS 127 HA HIS 127 12.864 36.810 -20.854 938 HB2 HIS 127 HB2 HIS 127 9.892 37.107 -20.216 939 HB3 HIS 127 HB1 HIS 127 11.152 38.036 -19.414 940 HD1 HIS 127 HD1 HIS 127 9.064 37.981 -22.428 941 HD2 HIS 127 HD2 HIS 127 12.554 39.859 -21.172 942 HE1 HIS 127 HE1 HIS 127 9.398 39.906 -24.011 943 HE2 HIS 127 HE2 HIS 127 11.407 41.130 -23.109 944 H HIS 128 HN HIS 128 13.702 36.588 -18.806 945 HA HIS 128 HA HIS 128 13.045 34.181 -17.309 946 HB2 HIS 128 HB2 HIS 128 14.971 34.781 -15.853 947 HB3 HIS 128 HB1 HIS 128 15.416 34.783 -17.547 948 HD1 HIS 128 HD1 HIS 128 15.283 36.929 -14.561 949 HD2 HIS 128 HD2 HIS 128 15.955 37.402 -18.628 950 HE1 HIS 128 HE1 HIS 128 16.238 39.239 -14.821 951 HE2 HIS 128 HE2 HIS 128 16.423 39.568 -17.305 952 H HIS 129 HN HIS 129 10.885 34.689 -16.769 953 HA HIS 129 HA HIS 129 10.183 36.811 -14.971 954 HB2 HIS 129 HB2 HIS 129 8.569 35.523 -16.494 955 HB3 HIS 129 HB1 HIS 129 8.679 34.183 -15.357 956 HD1 HIS 129 HD1 HIS 129 7.160 37.547 -15.846 957 HD2 HIS 129 HD2 HIS 129 7.336 34.642 -12.880 958 HE1 HIS 129 HE1 HIS 129 5.406 38.194 -14.173 959 HE2 HIS 129 HE2 HIS 129 5.421 36.328 -12.474 960 H HIS 130 HN HIS 130 11.462 33.608 -14.686 961 HA HIS 130 HA HIS 130 11.494 33.707 -11.725 962 HB2 HIS 130 HB2 HIS 130 11.922 31.312 -13.581 963 HB3 HIS 130 HB1 HIS 130 11.864 31.264 -11.819 964 HD1 HIS 130 HD1 HIS 130 9.740 31.091 -14.806 965 HD2 HIS 130 HD2 HIS 130 9.212 31.835 -10.752 966 HE1 HIS 130 HE1 HIS 130 7.272 30.842 -14.392 967 HE2 HIS 130 HE2 HIS 130 7.038 31.033 -11.895 968 H HIS 131 HN HIS 131 13.374 34.402 -10.953 969 HA HIS 131 HA HIS 131 15.521 34.893 -10.565 970 HB2 HIS 131 HB2 HIS 131 16.129 32.474 -12.306 971 HB3 HIS 131 HB1 HIS 131 17.293 33.286 -11.265 972 HD1 HIS 131 HD1 HIS 131 17.179 32.786 -8.742 973 HD2 HIS 131 HD2 HIS 131 14.211 30.879 -10.945 974 HE1 HIS 131 HE1 HIS 131 16.135 31.118 -7.171 975 HE2 HIS 131 HE2 HIS 131 14.517 29.828 -8.606 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 2.181 0.439 -1.393 2 H2 MET 1 HT2 MET 1 1.206 -0.940 -1.407 3 H3 MET 1 HT3 MET 1 0.677 0.468 -0.631 4 HA MET 1 HA MET 1 1.167 0.180 -3.533 5 HB2 MET 1 HB2 MET 1 -1.445 0.367 -1.959 6 HB3 MET 1 HB1 MET 1 -1.335 0.404 -3.714 7 HG2 MET 1 HG2 MET 1 -0.297 -1.888 -3.616 8 HG3 MET 1 HG1 MET 1 -0.669 -1.914 -1.890 9 HE1 MET 1 HE1 MET 1 -3.545 -0.279 -1.996 10 HE2 MET 1 HE2 MET 1 -3.253 -1.683 -0.967 11 HE3 MET 1 HE3 MET 1 -4.649 -1.652 -2.044 12 H GLN 2 HN GLN 2 -0.972 2.194 -4.007 13 HA GLN 2 HA GLN 2 -1.229 4.389 -4.411 14 HB2 GLN 2 HB2 GLN 2 0.184 4.753 -1.730 15 HB3 GLN 2 HB1 GLN 2 -0.555 6.072 -2.635 16 HG2 GLN 2 HG2 GLN 2 -2.024 3.659 -1.534 17 HG3 GLN 2 HG1 GLN 2 -1.968 5.250 -0.781 18 HE21 GLN 2 HE21 GLN 2 -2.242 6.720 -3.322 19 HE22 GLN 2 HE22 GLN 2 -3.886 6.516 -3.809 20 H LEU 3 HN LEU 3 0.114 4.175 -6.258 21 HA LEU 3 HA LEU 3 2.931 4.543 -6.226 22 HB2 LEU 3 HB2 LEU 3 0.832 4.392 -8.369 23 HB3 LEU 3 HB1 LEU 3 2.329 5.181 -8.819 24 HG LEU 3 HG LEU 3 2.354 2.830 -9.474 25 HD11 LEU 3 HD11 LEU 3 4.471 3.884 -8.943 26 HD12 LEU 3 HD12 LEU 3 4.506 2.182 -8.486 27 HD13 LEU 3 HD13 LEU 3 4.317 3.429 -7.244 28 HD21 LEU 3 HD21 LEU 3 2.079 2.146 -6.526 29 HD22 LEU 3 HD22 LEU 3 2.351 1.003 -7.847 30 HD23 LEU 3 HD23 LEU 3 0.849 1.914 -7.770 31 H GLN 4 HN GLN 4 3.885 6.342 -5.565 32 HA GLN 4 HA GLN 4 2.784 8.981 -6.050 33 HB2 GLN 4 HB2 GLN 4 5.482 8.154 -4.892 34 HB3 GLN 4 HB1 GLN 4 4.783 9.776 -4.831 35 HG2 GLN 4 HG2 GLN 4 3.009 8.989 -3.340 36 HG3 GLN 4 HG1 GLN 4 3.580 7.327 -3.477 37 HE21 GLN 4 HE21 GLN 4 5.599 6.777 -2.509 38 HE22 GLN 4 HE22 GLN 4 6.254 7.717 -1.218 39 H LEU 5 HN LEU 5 2.847 9.482 -8.183 40 HA LEU 5 HA LEU 5 5.318 9.081 -9.742 41 HB2 LEU 5 HB2 LEU 5 2.547 9.959 -10.663 42 HB3 LEU 5 HB1 LEU 5 3.929 9.671 -11.711 43 HG LEU 5 HG LEU 5 2.444 7.564 -10.077 44 HD11 LEU 5 HD11 LEU 5 1.156 8.350 -11.995 45 HD12 LEU 5 HD12 LEU 5 1.696 6.692 -12.239 46 HD13 LEU 5 HD13 LEU 5 2.512 8.016 -13.077 47 HD21 LEU 5 HD21 LEU 5 3.867 5.895 -11.213 48 HD22 LEU 5 HD22 LEU 5 4.823 6.984 -10.214 49 HD23 LEU 5 HD23 LEU 5 4.803 7.191 -11.968 50 H VAL 6 HN VAL 6 6.690 10.736 -9.553 51 HA VAL 6 HA VAL 6 5.698 13.514 -9.227 52 HB VAL 6 HB VAL 6 8.491 12.383 -8.662 53 HG11 VAL 6 HG11 VAL 6 7.342 15.149 -8.070 54 HG12 VAL 6 HG12 VAL 6 8.581 14.771 -9.270 55 HG13 VAL 6 HG13 VAL 6 8.929 14.572 -7.551 56 HG21 VAL 6 HG21 VAL 6 7.923 12.651 -6.248 57 HG22 VAL 6 HG22 VAL 6 6.867 11.482 -7.040 58 HG23 VAL 6 HG23 VAL 6 6.276 13.108 -6.688 59 H GLU 7 HN GLU 7 5.406 14.263 -11.253 60 HA GLU 7 HA GLU 7 7.333 13.725 -13.384 61 HB2 GLU 7 HB2 GLU 7 4.789 15.405 -13.565 62 HB3 GLU 7 HB1 GLU 7 5.777 14.825 -14.894 63 HG2 GLU 7 HG2 GLU 7 4.171 13.223 -15.041 64 HG3 GLU 7 HG1 GLU 7 5.152 12.435 -13.812 65 H SER 8 HN SER 8 8.849 15.114 -13.992 66 HA SER 8 HA SER 8 8.910 17.897 -13.009 67 HB2 SER 8 HB2 SER 8 11.256 15.929 -13.098 68 HB3 SER 8 HB1 SER 8 11.340 17.620 -12.582 69 HG SER 8 HG SER 8 9.742 15.615 -11.340 70 H GLY 9 HN GLY 9 10.588 19.173 -14.311 71 HA2 GLY 9 HA2 GLY 9 11.611 19.657 -16.420 72 HA3 GLY 9 HA1 GLY 9 10.621 18.416 -17.184 73 H GLY 10 HN GLY 10 8.839 20.217 -14.967 74 HA2 GLY 10 HA2 GLY 10 7.206 21.432 -16.997 75 HA3 GLY 10 HA1 GLY 10 6.990 21.546 -15.261 76 H GLY 11 HN GLY 11 8.123 23.130 -18.076 77 HA2 GLY 11 HA2 GLY 11 8.485 25.637 -16.645 78 HA3 GLY 11 HA1 GLY 11 9.946 25.015 -17.412 79 H LEU 12 HN LEU 12 9.388 27.306 -18.354 80 HA LEU 12 HA LEU 12 7.579 27.158 -20.629 81 HB2 LEU 12 HB2 LEU 12 7.682 29.163 -19.075 82 HB3 LEU 12 HB1 LEU 12 9.256 29.502 -19.754 83 HG LEU 12 HG LEU 12 6.889 29.337 -21.616 84 HD11 LEU 12 HD11 LEU 12 6.439 31.734 -21.329 85 HD12 LEU 12 HD12 LEU 12 7.589 31.804 -19.989 86 HD13 LEU 12 HD13 LEU 12 6.120 30.834 -19.846 87 HD21 LEU 12 HD21 LEU 12 9.436 31.005 -21.722 88 HD22 LEU 12 HD22 LEU 12 8.159 30.984 -22.941 89 HD23 LEU 12 HD23 LEU 12 9.113 29.535 -22.647 90 H VAL 13 HN VAL 13 8.297 26.394 -22.468 91 HA VAL 13 HA VAL 13 11.007 27.107 -23.444 92 HB VAL 13 HB VAL 13 10.997 25.014 -24.819 93 HG11 VAL 13 HG11 VAL 13 12.197 24.984 -22.666 94 HG12 VAL 13 HG12 VAL 13 11.507 23.394 -23.002 95 HG13 VAL 13 HG13 VAL 13 10.729 24.465 -21.833 96 HG21 VAL 13 HG21 VAL 13 9.377 23.185 -24.334 97 HG22 VAL 13 HG22 VAL 13 8.570 24.619 -24.975 98 HG23 VAL 13 HG23 VAL 13 8.497 24.263 -23.247 99 H GLN 14 HN GLN 14 11.071 27.290 -25.802 100 HA GLN 14 HA GLN 14 8.793 28.712 -26.899 101 HB2 GLN 14 HB2 GLN 14 10.246 29.372 -28.725 102 HB3 GLN 14 HB1 GLN 14 11.164 29.535 -27.240 103 HG2 GLN 14 HG2 GLN 14 11.430 27.245 -29.228 104 HG3 GLN 14 HG1 GLN 14 12.519 28.634 -29.116 105 HE21 GLN 14 HE21 GLN 14 11.521 25.642 -27.589 106 HE22 GLN 14 HE22 GLN 14 12.872 25.517 -26.531 107 H ALA 15 HN ALA 15 7.772 28.195 -28.886 108 HA ALA 15 HA ALA 15 7.249 25.451 -29.459 109 HB1 ALA 15 HB1 ALA 15 5.538 27.199 -29.757 110 HB2 ALA 15 HB2 ALA 15 5.828 26.348 -31.278 111 HB3 ALA 15 HB3 ALA 15 6.512 27.957 -31.019 112 H GLY 16 HN GLY 16 8.290 24.149 -30.850 113 HA2 GLY 16 HA2 GLY 16 9.435 23.625 -32.890 114 HA3 GLY 16 HA1 GLY 16 10.200 25.210 -32.855 115 H GLY 17 HN GLY 17 10.418 24.588 -29.781 116 HA2 GLY 17 HA2 GLY 17 13.081 23.398 -29.899 117 HA3 GLY 17 HA1 GLY 17 12.323 24.160 -28.510 118 H SER 18 HN SER 18 13.526 22.098 -27.719 119 HA SER 18 HA SER 18 11.652 19.800 -27.664 120 HB2 SER 18 HB2 SER 18 13.720 18.375 -27.288 121 HB3 SER 18 HB1 SER 18 13.650 19.147 -28.871 122 HG SER 18 HG SER 18 15.197 20.577 -28.264 123 H LEU 19 HN LEU 19 10.909 19.212 -25.713 124 HA LEU 19 HA LEU 19 12.347 19.985 -23.244 125 HB2 LEU 19 HB2 LEU 19 10.375 21.455 -23.532 126 HB3 LEU 19 HB1 LEU 19 9.336 20.052 -23.717 127 HG LEU 19 HG LEU 19 9.807 19.401 -21.352 128 HD11 LEU 19 HD11 LEU 19 12.029 20.376 -21.079 129 HD12 LEU 19 HD12 LEU 19 10.937 20.938 -19.818 130 HD13 LEU 19 HD13 LEU 19 11.350 22.004 -21.165 131 HD21 LEU 19 HD21 LEU 19 7.821 20.735 -21.884 132 HD22 LEU 19 HD22 LEU 19 8.739 22.227 -21.655 133 HD23 LEU 19 HD23 LEU 19 8.452 21.144 -20.289 134 H ARG 20 HN ARG 20 12.668 18.339 -21.880 135 HA ARG 20 HA ARG 20 11.414 15.708 -22.429 136 HB2 ARG 20 HB2 ARG 20 13.840 15.795 -22.867 137 HB3 ARG 20 HB1 ARG 20 14.137 16.347 -21.223 138 HG2 ARG 20 HG2 ARG 20 13.242 14.167 -20.366 139 HG3 ARG 20 HG1 ARG 20 13.030 13.628 -22.038 140 HD2 ARG 20 HD2 ARG 20 15.127 12.766 -21.012 141 HD3 ARG 20 HD1 ARG 20 15.433 13.775 -22.429 142 HE ARG 20 HE ARG 20 16.006 15.607 -20.898 143 HH11 ARG 20 HH11 ARG 20 16.209 12.332 -19.621 144 HH12 ARG 20 HH12 ARG 20 17.205 12.800 -18.280 145 HH21 ARG 20 HH21 ARG 20 17.286 16.197 -19.135 146 HH22 ARG 20 HH22 ARG 20 17.811 14.997 -17.999 147 H LEU 21 HN LEU 21 10.312 14.752 -20.835 148 HA LEU 21 HA LEU 21 10.138 16.009 -18.171 149 HB2 LEU 21 HB2 LEU 21 8.174 14.164 -19.613 150 HB3 LEU 21 HB1 LEU 21 7.957 14.769 -17.985 151 HG LEU 21 HG LEU 21 6.540 16.109 -19.328 152 HD11 LEU 21 HD11 LEU 21 7.401 18.369 -19.183 153 HD12 LEU 21 HD12 LEU 21 9.046 17.760 -18.974 154 HD13 LEU 21 HD13 LEU 21 7.819 17.440 -17.744 155 HD21 LEU 21 HD21 LEU 21 7.182 17.219 -21.412 156 HD22 LEU 21 HD22 LEU 21 7.379 15.472 -21.526 157 HD23 LEU 21 HD23 LEU 21 8.796 16.504 -21.314 158 H SER 22 HN SER 22 9.922 14.581 -16.329 159 HA SER 22 HA SER 22 10.875 11.805 -16.619 160 HB2 SER 22 HB2 SER 22 12.440 12.221 -14.650 161 HB3 SER 22 HB1 SER 22 12.909 13.051 -16.133 162 HG SER 22 HG SER 22 12.170 14.956 -15.303 163 H CYS 23 HN CYS 23 9.511 10.520 -15.530 164 HA CYS 23 HA CYS 23 7.884 11.557 -13.289 165 HB2 CYS 23 HB2 CYS 23 6.533 10.884 -15.251 166 HB3 CYS 23 HB1 CYS 23 7.266 9.283 -15.233 167 HG CYS 23 HG CYS 23 5.074 10.611 -12.973 168 H VAL 24 HN VAL 24 8.789 10.907 -11.445 169 HA VAL 24 HA VAL 24 10.453 8.534 -11.243 170 HB VAL 24 HB VAL 24 9.608 10.493 -9.055 171 HG11 VAL 24 HG11 VAL 24 10.489 8.381 -8.152 172 HG12 VAL 24 HG12 VAL 24 11.637 9.689 -7.860 173 HG13 VAL 24 HG13 VAL 24 11.937 8.528 -9.156 174 HG21 VAL 24 HG21 VAL 24 12.095 10.609 -10.824 175 HG22 VAL 24 HG22 VAL 24 11.775 11.653 -9.437 176 HG23 VAL 24 HG23 VAL 24 10.737 11.742 -10.860 177 H ALA 25 HN ALA 25 9.654 6.615 -10.677 178 HA ALA 25 HA ALA 25 6.875 6.320 -9.823 179 HB1 ALA 25 HB1 ALA 25 7.181 3.939 -10.387 180 HB2 ALA 25 HB2 ALA 25 8.901 4.217 -10.695 181 HB3 ALA 25 HB3 ALA 25 7.684 4.974 -11.725 182 H SER 26 HN SER 26 6.670 6.575 -7.697 183 HA SER 26 HA SER 26 6.739 6.309 -5.476 184 HB2 SER 26 HB2 SER 26 6.850 3.881 -4.689 185 HB3 SER 26 HB1 SER 26 5.649 4.229 -5.927 186 HG SER 26 HG SER 26 8.097 3.442 -6.897 187 H GLY 27 HN GLY 27 9.003 7.475 -6.214 188 HA2 GLY 27 HA2 GLY 27 10.905 8.218 -5.083 189 HA3 GLY 27 HA1 GLY 27 10.859 6.785 -4.071 190 H ARG 28 HN ARG 28 11.204 4.693 -5.468 191 HA ARG 28 HA ARG 28 12.882 4.817 -7.787 192 HB2 ARG 28 HB2 ARG 28 14.471 5.469 -5.901 193 HB3 ARG 28 HB1 ARG 28 14.223 3.873 -5.201 194 HG2 ARG 28 HG2 ARG 28 15.195 2.834 -7.216 195 HG3 ARG 28 HG1 ARG 28 15.399 4.425 -7.945 196 HD2 ARG 28 HD2 ARG 28 17.005 5.038 -6.200 197 HD3 ARG 28 HD1 ARG 28 16.767 3.472 -5.412 198 HE ARG 28 HE ARG 28 17.513 2.849 -7.972 199 HH11 ARG 28 HH11 ARG 28 19.000 4.734 -5.412 200 HH12 ARG 28 HH12 ARG 28 20.610 4.350 -5.920 201 HH21 ARG 28 HH21 ARG 28 19.617 2.375 -8.623 202 HH22 ARG 28 HH22 ARG 28 20.960 3.015 -7.730 203 H THR 29 HN THR 29 10.479 3.435 -6.434 204 HA THR 29 HA THR 29 11.249 0.589 -6.710 205 HB THR 29 HB THR 29 8.765 1.719 -5.319 206 HG1 THR 29 HG1 THR 29 10.618 2.409 -4.204 207 HG21 THR 29 HG21 THR 29 8.645 -0.505 -4.247 208 HG22 THR 29 HG22 THR 29 10.073 -1.033 -5.143 209 HG23 THR 29 HG23 THR 29 8.576 -0.666 -6.004 210 H PHE 30 HN PHE 30 9.882 -0.796 -7.948 211 HA PHE 30 HA PHE 30 7.905 0.517 -9.725 212 HB2 PHE 30 HB2 PHE 30 8.150 -1.565 -11.152 213 HB3 PHE 30 HB1 PHE 30 9.586 -0.559 -11.076 214 HD1 PHE 30 HD1 PHE 30 8.233 -3.889 -10.466 215 HD2 PHE 30 HD2 PHE 30 11.556 -1.317 -9.654 216 HE1 PHE 30 HE1 PHE 30 9.592 -5.835 -9.834 217 HE2 PHE 30 HE2 PHE 30 12.903 -3.274 -9.020 218 HZ PHE 30 HZ PHE 30 11.924 -5.531 -9.112 219 H ARG 31 HN ARG 31 5.906 0.278 -9.027 220 HA ARG 31 HA ARG 31 4.975 -2.265 -7.820 221 HB2 ARG 31 HB2 ARG 31 4.300 0.557 -6.872 222 HB3 ARG 31 HB1 ARG 31 3.440 -0.881 -6.350 223 HG2 ARG 31 HG2 ARG 31 6.393 -0.395 -5.827 224 HG3 ARG 31 HG1 ARG 31 5.107 0.038 -4.701 225 HD2 ARG 31 HD2 ARG 31 5.929 -2.043 -3.914 226 HD3 ARG 31 HD1 ARG 31 4.430 -2.446 -4.756 227 HE ARG 31 HE ARG 31 7.017 -2.697 -6.150 228 HH11 ARG 31 HH11 ARG 31 4.179 -4.323 -4.865 229 HH12 ARG 31 HH12 ARG 31 4.541 -5.819 -5.657 230 HH21 ARG 31 HH21 ARG 31 7.446 -4.632 -7.209 231 HH22 ARG 31 HH22 ARG 31 6.396 -5.995 -6.983 232 H SER 32 HN SER 32 4.887 -0.838 -10.532 233 HA SER 32 HA SER 32 2.010 -1.101 -11.069 234 HB2 SER 32 HB2 SER 32 2.403 1.328 -10.692 235 HB3 SER 32 HB1 SER 32 3.671 1.323 -11.917 236 HG SER 32 HG SER 32 2.154 1.601 -13.327 237 H ASN 33 HN ASN 33 1.538 -1.634 -13.218 238 HA ASN 33 HA ASN 33 3.607 -3.167 -14.553 239 HB2 ASN 33 HB2 ASN 33 1.636 -4.417 -14.512 240 HB3 ASN 33 HB1 ASN 33 0.597 -3.004 -14.606 241 HD21 ASN 33 HD21 ASN 33 -0.030 -2.233 -16.572 242 HD22 ASN 33 HD22 ASN 33 0.220 -3.074 -18.046 243 H ALA 34 HN ALA 34 1.571 -0.317 -15.161 244 HA ALA 34 HA ALA 34 3.159 0.287 -17.598 245 HB1 ALA 34 HB1 ALA 34 1.121 1.134 -18.682 246 HB2 ALA 34 HB2 ALA 34 0.154 0.679 -17.272 247 HB3 ALA 34 HB3 ALA 34 0.939 -0.566 -18.246 248 H MET 35 HN MET 35 3.534 2.462 -18.021 249 HA MET 35 HA MET 35 2.440 4.539 -16.254 250 HB2 MET 35 HB2 MET 35 5.326 4.492 -17.286 251 HB3 MET 35 HB1 MET 35 4.598 5.759 -16.306 252 HG2 MET 35 HG2 MET 35 5.937 4.521 -14.813 253 HG3 MET 35 HG1 MET 35 4.296 3.952 -14.492 254 HE1 MET 35 HE1 MET 35 5.244 1.762 -13.238 255 HE2 MET 35 HE2 MET 35 6.892 2.333 -13.514 256 HE3 MET 35 HE3 MET 35 6.444 0.685 -13.955 257 H GLY 36 HN GLY 36 1.309 5.973 -17.524 258 HA2 GLY 36 HA2 GLY 36 1.877 6.028 -20.454 259 HA3 GLY 36 HA1 GLY 36 0.252 5.961 -19.788 260 H TRP 37 HN TRP 37 1.991 7.982 -21.388 261 HA TRP 37 HA TRP 37 1.747 10.403 -19.756 262 HB2 TRP 37 HB2 TRP 37 2.920 9.964 -22.547 263 HB3 TRP 37 HB1 TRP 37 2.939 11.495 -21.671 264 HD1 TRP 37 HD1 TRP 37 4.808 8.190 -21.919 265 HE1 TRP 37 HE1 TRP 37 6.860 8.277 -20.379 266 HE3 TRP 37 HE3 TRP 37 3.723 12.491 -19.309 267 HZ2 TRP 37 HZ2 TRP 37 7.888 9.917 -18.330 268 HZ3 TRP 37 HZ3 TRP 37 5.307 13.244 -17.571 269 HH2 TRP 37 HH2 TRP 37 7.349 11.976 -17.093 270 H PHE 38 HN PHE 38 0.108 11.756 -19.962 271 HA PHE 38 HA PHE 38 -1.522 11.928 -22.419 272 HB2 PHE 38 HB2 PHE 38 -2.628 11.869 -19.559 273 HB3 PHE 38 HB1 PHE 38 -3.575 12.182 -21.005 274 HD1 PHE 38 HD1 PHE 38 -1.806 9.570 -19.055 275 HD2 PHE 38 HD2 PHE 38 -4.328 10.356 -22.426 276 HE1 PHE 38 HE1 PHE 38 -2.317 7.171 -19.240 277 HE2 PHE 38 HE2 PHE 38 -4.825 7.954 -22.604 278 HZ PHE 38 HZ PHE 38 -3.819 6.360 -21.017 279 H ARG 39 HN ARG 39 -1.861 14.102 -22.989 280 HA ARG 39 HA ARG 39 -1.011 16.167 -21.040 281 HB2 ARG 39 HB2 ARG 39 -0.811 17.719 -22.926 282 HB3 ARG 39 HB1 ARG 39 0.196 16.300 -23.146 283 HG2 ARG 39 HG2 ARG 39 -1.241 15.429 -24.868 284 HG3 ARG 39 HG1 ARG 39 -2.489 16.629 -24.522 285 HD2 ARG 39 HD2 ARG 39 -0.968 18.430 -25.254 286 HD3 ARG 39 HD1 ARG 39 0.275 17.230 -25.599 287 HE ARG 39 HE ARG 39 -1.736 16.348 -27.144 288 HH11 ARG 39 HH11 ARG 39 -0.306 19.563 -26.860 289 HH12 ARG 39 HH12 ARG 39 -0.845 20.050 -28.435 290 HH21 ARG 39 HH21 ARG 39 -2.387 17.034 -29.208 291 HH22 ARG 39 HH22 ARG 39 -2.012 18.636 -29.747 292 H GLN 40 HN GLN 40 -2.510 17.192 -20.017 293 HA GLN 40 HA GLN 40 -5.322 17.254 -20.929 294 HB2 GLN 40 HB2 GLN 40 -4.878 16.265 -18.682 295 HB3 GLN 40 HB1 GLN 40 -4.070 17.738 -18.180 296 HG2 GLN 40 HG2 GLN 40 -6.183 17.882 -17.177 297 HG3 GLN 40 HG1 GLN 40 -6.315 18.925 -18.590 298 HE21 GLN 40 HE21 GLN 40 -8.543 18.769 -18.686 299 HE22 GLN 40 HE22 GLN 40 -9.377 17.325 -19.140 300 H ALA 41 HN ALA 41 -6.168 19.199 -21.528 301 HA ALA 41 HA ALA 41 -4.379 21.545 -21.488 302 HB1 ALA 41 HB1 ALA 41 -5.811 22.391 -23.328 303 HB2 ALA 41 HB2 ALA 41 -6.798 20.932 -23.215 304 HB3 ALA 41 HB3 ALA 41 -5.109 20.816 -23.697 305 HA PRO 42 HA PRO 42 -6.996 23.848 -18.598 306 HB2 PRO 42 HB2 PRO 42 -6.519 26.201 -20.436 307 HB3 PRO 42 HB1 PRO 42 -6.283 26.070 -18.685 308 HG2 PRO 42 HG2 PRO 42 -4.173 26.009 -20.315 309 HG3 PRO 42 HG1 PRO 42 -4.245 24.925 -18.908 310 HD2 PRO 42 HD2 PRO 42 -4.766 24.290 -21.816 311 HD3 PRO 42 HD1 PRO 42 -3.882 23.351 -20.591 312 H GLY 43 HN GLY 43 -9.009 22.909 -18.967 313 HA2 GLY 43 HA2 GLY 43 -11.298 23.417 -19.283 314 HA3 GLY 43 HA1 GLY 43 -10.890 24.494 -20.604 315 H LYS 44 HN LYS 44 -9.073 21.887 -21.307 316 HA LYS 44 HA LYS 44 -11.212 20.401 -22.746 317 HB2 LYS 44 HB2 LYS 44 -8.410 21.013 -23.783 318 HB3 LYS 44 HB1 LYS 44 -9.610 20.038 -24.607 319 HG2 LYS 44 HG2 LYS 44 -10.176 22.946 -23.973 320 HG3 LYS 44 HG1 LYS 44 -9.188 22.509 -25.361 321 HD2 LYS 44 HD2 LYS 44 -11.377 22.797 -26.229 322 HD3 LYS 44 HD1 LYS 44 -11.139 21.055 -26.150 323 HE2 LYS 44 HE2 LYS 44 -12.511 20.938 -24.122 324 HE3 LYS 44 HE1 LYS 44 -12.696 22.693 -24.113 325 HZ1 LYS 44 HZ1 LYS 44 -13.725 20.797 -26.146 326 HZ2 LYS 44 HZ2 LYS 44 -13.792 22.477 -26.297 327 HZ3 LYS 44 HZ3 LYS 44 -14.631 21.713 -25.048 328 H GLU 45 HN GLU 45 -10.768 18.166 -23.122 329 HA GLU 45 HA GLU 45 -9.684 16.799 -20.877 330 HB2 GLU 45 HB2 GLU 45 -10.912 15.887 -23.500 331 HB3 GLU 45 HB1 GLU 45 -10.271 14.721 -22.343 332 HG2 GLU 45 HG2 GLU 45 -12.438 16.757 -21.709 333 HG3 GLU 45 HG1 GLU 45 -12.733 15.075 -22.155 334 H ARG 46 HN ARG 46 -8.357 14.737 -21.268 335 HA ARG 46 HA ARG 46 -5.774 15.632 -22.172 336 HB2 ARG 46 HB2 ARG 46 -4.807 13.757 -21.040 337 HB3 ARG 46 HB1 ARG 46 -6.010 14.458 -19.982 338 HG2 ARG 46 HG2 ARG 46 -6.647 12.008 -21.637 339 HG3 ARG 46 HG1 ARG 46 -5.762 11.868 -20.126 340 HD2 ARG 46 HD2 ARG 46 -7.977 11.435 -19.494 341 HD3 ARG 46 HD1 ARG 46 -7.772 13.126 -19.065 342 HE ARG 46 HE ARG 46 -9.504 13.602 -20.445 343 HH11 ARG 46 HH11 ARG 46 -8.088 10.611 -21.727 344 HH12 ARG 46 HH12 ARG 46 -9.381 10.347 -22.845 345 HH21 ARG 46 HH21 ARG 46 -11.189 13.193 -21.925 346 HH22 ARG 46 HH22 ARG 46 -11.123 11.807 -22.961 347 H GLU 47 HN GLU 47 -4.701 15.018 -23.908 348 HA GLU 47 HA GLU 47 -5.780 12.991 -25.742 349 HB2 GLU 47 HB2 GLU 47 -5.199 15.215 -26.704 350 HB3 GLU 47 HB1 GLU 47 -3.543 15.040 -26.128 351 HG2 GLU 47 HG2 GLU 47 -3.258 13.067 -27.618 352 HG3 GLU 47 HG1 GLU 47 -4.905 13.296 -28.206 353 H PHE 48 HN PHE 48 -4.608 11.174 -26.287 354 HA PHE 48 HA PHE 48 -2.728 10.098 -24.422 355 HB2 PHE 48 HB2 PHE 48 -4.401 8.705 -25.628 356 HB3 PHE 48 HB1 PHE 48 -3.625 9.080 -27.160 357 HD1 PHE 48 HD1 PHE 48 -1.697 7.823 -27.903 358 HD2 PHE 48 HD2 PHE 48 -3.173 7.312 -23.926 359 HE1 PHE 48 HE1 PHE 48 -0.239 5.871 -27.602 360 HE2 PHE 48 HE2 PHE 48 -1.713 5.364 -23.634 361 HZ PHE 48 HZ PHE 48 -0.246 4.647 -25.471 362 H VAL 49 HN VAL 49 -0.596 10.449 -24.419 363 HA VAL 49 HA VAL 49 0.789 11.454 -26.826 364 HB VAL 49 HB VAL 49 1.828 11.348 -23.953 365 HG11 VAL 49 HG11 VAL 49 2.913 12.845 -26.384 366 HG12 VAL 49 HG12 VAL 49 3.646 11.427 -25.625 367 HG13 VAL 49 HG13 VAL 49 3.555 12.951 -24.742 368 HG21 VAL 49 HG21 VAL 49 -0.135 12.831 -24.062 369 HG22 VAL 49 HG22 VAL 49 0.579 13.711 -25.416 370 HG23 VAL 49 HG23 VAL 49 1.337 13.777 -23.825 371 H ALA 50 HN ALA 50 1.170 9.017 -24.192 372 HA ALA 50 HA ALA 50 2.359 7.055 -25.935 373 HB1 ALA 50 HB1 ALA 50 4.592 6.999 -24.903 374 HB2 ALA 50 HB2 ALA 50 4.179 8.392 -23.897 375 HB3 ALA 50 HB3 ALA 50 4.286 8.568 -25.648 376 H ALA 51 HN ALA 51 3.294 5.169 -24.583 377 HA ALA 51 HA ALA 51 2.375 4.800 -21.864 378 HB1 ALA 51 HB1 ALA 51 0.280 4.355 -23.098 379 HB2 ALA 51 HB2 ALA 51 0.878 2.889 -22.323 380 HB3 ALA 51 HB3 ALA 51 1.090 3.118 -24.064 381 H ILE 52 HN ILE 52 3.942 3.674 -20.917 382 HA ILE 52 HA ILE 52 5.583 1.715 -22.406 383 HB ILE 52 HB ILE 52 6.468 3.225 -19.885 384 HG12 ILE 52 HG12 ILE 52 8.133 4.406 -21.512 385 HG13 ILE 52 HG11 ILE 52 7.050 3.905 -22.805 386 HG21 ILE 52 HG21 ILE 52 8.720 2.314 -20.442 387 HG22 ILE 52 HG22 ILE 52 8.021 1.434 -21.803 388 HG23 ILE 52 HG23 ILE 52 7.536 1.036 -20.154 389 HD11 ILE 52 HD11 ILE 52 6.276 5.663 -20.472 390 HD12 ILE 52 HD12 ILE 52 5.264 5.245 -21.856 391 HD13 ILE 52 HD13 ILE 52 6.707 6.227 -22.084 392 H ARG 53 HN ARG 53 5.045 -0.317 -21.789 393 HA ARG 53 HA ARG 53 3.973 -0.778 -19.062 394 HB2 ARG 53 HB2 ARG 53 3.542 -2.604 -21.470 395 HB3 ARG 53 HB1 ARG 53 2.731 -2.660 -19.900 396 HG2 ARG 53 HG2 ARG 53 1.911 -0.236 -20.527 397 HG3 ARG 53 HG1 ARG 53 2.330 -0.704 -22.178 398 HD2 ARG 53 HD2 ARG 53 0.341 -2.060 -20.331 399 HD3 ARG 53 HD1 ARG 53 -0.041 -1.081 -21.745 400 HE ARG 53 HE ARG 53 1.456 -3.097 -22.777 401 HH11 ARG 53 HH11 ARG 53 -1.386 -3.087 -20.691 402 HH12 ARG 53 HH12 ARG 53 -2.009 -4.568 -21.347 403 HH21 ARG 53 HH21 ARG 53 0.609 -5.017 -23.629 404 HH22 ARG 53 HH22 ARG 53 -0.870 -5.664 -23.009 405 H TRP 54 HN TRP 54 4.448 -2.966 -18.161 406 HA TRP 54 HA TRP 54 7.201 -3.494 -17.928 407 HB2 TRP 54 HB2 TRP 54 5.529 -4.102 -16.199 408 HB3 TRP 54 HB1 TRP 54 4.814 -5.287 -17.283 409 HD1 TRP 54 HD1 TRP 54 8.207 -4.685 -15.450 410 HE1 TRP 54 HE1 TRP 54 9.240 -6.971 -14.895 411 HE3 TRP 54 HE3 TRP 54 4.747 -7.716 -17.695 412 HZ2 TRP 54 HZ2 TRP 54 8.694 -9.693 -15.353 413 HZ3 TRP 54 HZ3 TRP 54 5.076 -10.160 -17.588 414 HH2 TRP 54 HH2 TRP 54 7.012 -11.129 -16.437 415 H SER 55 HN SER 55 4.635 -5.196 -19.698 416 HA SER 55 HA SER 55 6.424 -5.757 -21.913 417 HB2 SER 55 HB2 SER 55 6.648 -7.809 -20.489 418 HB3 SER 55 HB1 SER 55 4.899 -8.038 -20.549 419 HG SER 55 HG SER 55 6.195 -9.260 -22.111 420 H GLY 56 HN GLY 56 5.166 -6.482 -23.833 421 HA2 GLY 56 HA2 GLY 56 3.340 -6.515 -25.230 422 HA3 GLY 56 HA1 GLY 56 2.289 -6.284 -23.843 423 H GLY 57 HN GLY 57 4.952 -4.090 -24.599 424 HA2 GLY 57 HA2 GLY 57 3.788 -2.397 -26.465 425 HA3 GLY 57 HA1 GLY 57 3.299 -1.775 -24.887 426 H SER 58 HN SER 58 4.896 -1.095 -23.413 427 HA SER 58 HA SER 58 6.748 -0.086 -22.649 428 HB2 SER 58 HB2 SER 58 8.245 -1.772 -24.694 429 HB3 SER 58 HB1 SER 58 8.959 -0.973 -23.284 430 HG SER 58 HG SER 58 7.890 -2.349 -21.951 431 H THR 59 HN THR 59 5.406 0.798 -25.318 432 HA THR 59 HA THR 59 6.778 3.196 -25.908 433 HB THR 59 HB THR 59 7.146 2.505 -28.461 434 HG1 THR 59 HG1 THR 59 7.104 0.007 -27.144 435 HG21 THR 59 HG21 THR 59 9.503 1.929 -28.121 436 HG22 THR 59 HG22 THR 59 9.197 1.580 -26.418 437 HG23 THR 59 HG23 THR 59 9.025 3.230 -27.025 438 H TYR 60 HN TYR 60 5.394 4.494 -27.163 439 HA TYR 60 HA TYR 60 3.293 3.509 -28.805 440 HB2 TYR 60 HB2 TYR 60 2.617 3.896 -25.977 441 HB3 TYR 60 HB1 TYR 60 1.724 5.065 -26.931 442 HD1 TYR 60 HD1 TYR 60 1.719 1.688 -25.727 443 HD2 TYR 60 HD2 TYR 60 0.412 4.100 -29.017 444 HE1 TYR 60 HE1 TYR 60 0.058 -0.020 -26.333 445 HE2 TYR 60 HE2 TYR 60 -1.246 2.388 -29.613 446 HH TYR 60 HH TYR 60 -2.081 -0.136 -27.513 447 H TYR 61 HN TYR 61 2.839 5.004 -30.308 448 HA TYR 61 HA TYR 61 2.984 7.836 -29.925 449 HB2 TYR 61 HB2 TYR 61 4.907 8.240 -31.495 450 HB3 TYR 61 HB1 TYR 61 5.399 7.452 -30.004 451 HD1 TYR 61 HD1 TYR 61 5.131 7.080 -33.659 452 HD2 TYR 61 HD2 TYR 61 6.116 5.041 -30.028 453 HE1 TYR 61 HE1 TYR 61 6.227 5.302 -34.950 454 HE2 TYR 61 HE2 TYR 61 7.213 3.264 -31.324 455 HH TYR 61 HH TYR 61 7.157 2.315 -33.572 456 H ALA 62 HN ALA 62 2.063 8.944 -31.575 457 HA ALA 62 HA ALA 62 0.855 7.517 -33.835 458 HB1 ALA 62 HB1 ALA 62 -0.526 9.118 -32.555 459 HB2 ALA 62 HB2 ALA 62 -0.329 9.648 -34.225 460 HB3 ALA 62 HB3 ALA 62 0.606 10.420 -32.941 461 H ASP 63 HN ASP 63 1.067 8.542 -36.050 462 HA ASP 63 HA ASP 63 3.774 8.908 -36.841 463 HB2 ASP 63 HB2 ASP 63 1.195 9.429 -38.387 464 HB3 ASP 63 HB1 ASP 63 2.798 9.417 -39.102 465 H SER 64 HN SER 64 1.321 11.142 -35.813 466 HA SER 64 HA SER 64 2.331 13.553 -36.923 467 HB2 SER 64 HB2 SER 64 0.736 13.190 -34.345 468 HB3 SER 64 HB1 SER 64 0.894 14.684 -35.275 469 HG SER 64 HG SER 64 -1.050 13.217 -35.549 470 H VAL 65 HN VAL 65 3.067 11.756 -33.965 471 HA VAL 65 HA VAL 65 4.968 13.834 -33.038 472 HB VAL 65 HB VAL 65 4.782 12.842 -30.810 473 HG11 VAL 65 HG11 VAL 65 3.158 14.587 -31.365 474 HG12 VAL 65 HG12 VAL 65 2.427 13.402 -30.283 475 HG13 VAL 65 HG13 VAL 65 2.038 13.379 -32.006 476 HG21 VAL 65 HG21 VAL 65 2.851 10.811 -32.013 477 HG22 VAL 65 HG22 VAL 65 3.176 11.010 -30.287 478 HG23 VAL 65 HG23 VAL 65 4.460 10.472 -31.368 479 H LYS 66 HN LYS 66 4.951 10.931 -34.671 480 HA LYS 66 HA LYS 66 6.911 9.311 -33.529 481 HB2 LYS 66 HB2 LYS 66 5.453 8.504 -35.296 482 HB3 LYS 66 HB1 LYS 66 6.087 9.688 -36.431 483 HG2 LYS 66 HG2 LYS 66 8.270 8.520 -36.445 484 HG3 LYS 66 HG1 LYS 66 7.653 7.349 -35.279 485 HD2 LYS 66 HD2 LYS 66 7.620 6.442 -37.580 486 HD3 LYS 66 HD1 LYS 66 5.990 6.556 -36.910 487 HE2 LYS 66 HE2 LYS 66 5.598 8.626 -38.192 488 HE3 LYS 66 HE1 LYS 66 7.243 8.555 -38.835 489 HZ1 LYS 66 HZ1 LYS 66 5.053 6.614 -39.324 490 HZ2 LYS 66 HZ2 LYS 66 6.651 6.411 -39.852 491 HZ3 LYS 66 HZ3 LYS 66 5.724 7.699 -40.435 492 H GLY 67 HN GLY 67 9.065 9.360 -33.418 493 HA2 GLY 67 HA2 GLY 67 11.270 9.699 -34.065 494 HA3 GLY 67 HA1 GLY 67 10.744 10.777 -35.344 495 H ARG 68 HN ARG 68 9.091 12.280 -33.296 496 HA ARG 68 HA ARG 68 11.241 14.082 -32.404 497 HB2 ARG 68 HB2 ARG 68 8.319 14.846 -32.182 498 HB3 ARG 68 HB1 ARG 68 9.724 15.846 -32.533 499 HG2 ARG 68 HG2 ARG 68 9.743 14.717 -34.845 500 HG3 ARG 68 HG1 ARG 68 8.158 14.068 -34.413 501 HD2 ARG 68 HD2 ARG 68 8.966 16.932 -34.928 502 HD3 ARG 68 HD1 ARG 68 7.613 16.019 -35.604 503 HE ARG 68 HE ARG 68 7.708 16.953 -32.780 504 HH11 ARG 68 HH11 ARG 68 5.874 16.543 -35.739 505 HH12 ARG 68 HH12 ARG 68 4.452 17.289 -35.095 506 HH21 ARG 68 HH21 ARG 68 5.877 17.957 -31.975 507 HH22 ARG 68 HH22 ARG 68 4.455 18.097 -32.957 508 H PHE 69 HN PHE 69 8.075 12.954 -31.220 509 HA PHE 69 HA PHE 69 8.844 13.098 -28.429 510 HB2 PHE 69 HB2 PHE 69 6.283 12.120 -29.771 511 HB3 PHE 69 HB1 PHE 69 6.521 12.189 -28.031 512 HD1 PHE 69 HD1 PHE 69 7.172 14.694 -30.804 513 HD2 PHE 69 HD2 PHE 69 5.129 13.852 -27.135 514 HE1 PHE 69 HE1 PHE 69 6.226 16.963 -30.804 515 HE2 PHE 69 HE2 PHE 69 4.199 16.132 -27.146 516 HZ PHE 69 HZ PHE 69 4.744 17.684 -28.976 517 H THR 70 HN THR 70 9.847 11.443 -27.464 518 HA THR 70 HA THR 70 9.500 8.660 -28.329 519 HB THR 70 HB THR 70 12.239 9.978 -27.913 520 HG1 THR 70 HG1 THR 70 10.659 9.651 -30.136 521 HG21 THR 70 HG21 THR 70 12.215 7.597 -27.217 522 HG22 THR 70 HG22 THR 70 13.159 7.816 -28.692 523 HG23 THR 70 HG23 THR 70 11.530 7.144 -28.782 524 H ILE 71 HN ILE 71 9.779 7.191 -26.631 525 HA ILE 71 HA ILE 71 10.051 8.309 -23.910 526 HB ILE 71 HB ILE 71 8.297 6.692 -23.125 527 HG12 ILE 71 HG12 ILE 71 8.339 5.171 -25.182 528 HG13 ILE 71 HG11 ILE 71 6.743 5.587 -24.587 529 HG21 ILE 71 HG21 ILE 71 7.323 8.798 -25.062 530 HG22 ILE 71 HG22 ILE 71 7.816 9.056 -23.387 531 HG23 ILE 71 HG23 ILE 71 6.394 8.079 -23.744 532 HD11 ILE 71 HD11 ILE 71 8.087 6.796 -27.002 533 HD12 ILE 71 HD12 ILE 71 6.455 7.151 -26.430 534 HD13 ILE 71 HD13 ILE 71 6.856 5.535 -27.009 535 H SER 72 HN SER 72 10.957 7.055 -22.396 536 HA SER 72 HA SER 72 11.691 4.275 -22.853 537 HB2 SER 72 HB2 SER 72 13.810 6.408 -22.279 538 HB3 SER 72 HB1 SER 72 14.092 4.667 -22.355 539 HG SER 72 HG SER 72 12.994 5.169 -24.623 540 H ARG 73 HN ARG 73 11.720 3.187 -20.894 541 HA ARG 73 HA ARG 73 11.529 4.792 -18.401 542 HB2 ARG 73 HB2 ARG 73 9.595 3.335 -18.651 543 HB3 ARG 73 HB1 ARG 73 10.618 1.944 -18.999 544 HG2 ARG 73 HG2 ARG 73 11.536 2.055 -16.677 545 HG3 ARG 73 HG1 ARG 73 10.466 3.416 -16.331 546 HD2 ARG 73 HD2 ARG 73 8.521 2.028 -16.477 547 HD3 ARG 73 HD1 ARG 73 9.438 0.700 -17.204 548 HE ARG 73 HE ARG 73 10.173 1.570 -14.496 549 HH11 ARG 73 HH11 ARG 73 8.573 -0.871 -16.463 550 HH12 ARG 73 HH12 ARG 73 8.663 -2.080 -15.225 551 HH21 ARG 73 HH21 ARG 73 10.322 -0.051 -12.923 552 HH22 ARG 73 HH22 ARG 73 9.664 -1.622 -13.239 553 H ASP 74 HN ASP 74 13.315 4.881 -17.272 554 HA ASP 74 HA ASP 74 15.433 2.897 -17.432 555 HB2 ASP 74 HB2 ASP 74 15.962 5.346 -17.238 556 HB3 ASP 74 HB1 ASP 74 15.197 5.381 -15.656 557 H ASN 75 HN ASN 75 15.672 1.255 -16.006 558 HA ASN 75 HA ASN 75 13.680 0.832 -13.907 559 HB2 ASN 75 HB2 ASN 75 14.558 -0.895 -15.711 560 HB3 ASN 75 HB1 ASN 75 15.887 -1.136 -14.593 561 HD21 ASN 75 HD21 ASN 75 13.899 -0.756 -12.242 562 HD22 ASN 75 HD22 ASN 75 13.101 -2.271 -12.171 563 H ALA 76 HN ALA 76 17.056 1.722 -14.197 564 HA ALA 76 HA ALA 76 18.149 0.685 -11.831 565 HB1 ALA 76 HB1 ALA 76 19.015 3.186 -13.319 566 HB2 ALA 76 HB2 ALA 76 19.512 1.536 -13.695 567 HB3 ALA 76 HB3 ALA 76 19.993 2.269 -12.164 568 H LYS 77 HN LYS 77 16.692 3.923 -12.414 569 HA LYS 77 HA LYS 77 16.309 4.144 -9.474 570 HB2 LYS 77 HB2 LYS 77 16.266 6.601 -9.668 571 HB3 LYS 77 HB1 LYS 77 17.816 5.925 -10.128 572 HG2 LYS 77 HG2 LYS 77 15.788 6.617 -12.253 573 HG3 LYS 77 HG1 LYS 77 16.752 7.894 -11.504 574 HD2 LYS 77 HD2 LYS 77 18.832 6.673 -12.186 575 HD3 LYS 77 HD1 LYS 77 17.822 5.468 -12.993 576 HE2 LYS 77 HE2 LYS 77 18.710 7.129 -14.590 577 HE3 LYS 77 HE1 LYS 77 16.947 7.173 -14.518 578 HZ1 LYS 77 HZ1 LYS 77 17.102 9.085 -13.054 579 HZ2 LYS 77 HZ2 LYS 77 17.864 9.374 -14.533 580 HZ3 LYS 77 HZ3 LYS 77 18.789 9.048 -13.155 581 H ASN 78 HN ASN 78 14.683 3.129 -11.941 582 HA ASN 78 HA ASN 78 12.598 3.099 -12.784 583 HB2 ASN 78 HB2 ASN 78 12.076 3.286 -9.805 584 HB3 ASN 78 HB1 ASN 78 10.759 3.068 -10.955 585 HD21 ASN 78 HD21 ASN 78 13.508 1.551 -9.434 586 HD22 ASN 78 HD22 ASN 78 13.210 -0.046 -10.021 587 H THR 79 HN THR 79 13.185 5.159 -13.821 588 HA THR 79 HA THR 79 11.109 7.193 -13.264 589 HB THR 79 HB THR 79 14.015 7.840 -14.008 590 HG1 THR 79 HG1 THR 79 12.814 7.455 -11.602 591 HG21 THR 79 HG21 THR 79 13.361 10.199 -13.629 592 HG22 THR 79 HG22 THR 79 11.694 9.701 -13.341 593 HG23 THR 79 HG23 THR 79 12.414 9.492 -14.942 594 H VAL 80 HN VAL 80 10.007 7.780 -15.069 595 HA VAL 80 HA VAL 80 10.751 6.557 -17.660 596 HB VAL 80 HB VAL 80 8.031 7.661 -16.793 597 HG11 VAL 80 HG11 VAL 80 8.791 5.882 -19.152 598 HG12 VAL 80 HG12 VAL 80 8.310 7.581 -19.246 599 HG13 VAL 80 HG13 VAL 80 7.148 6.362 -18.718 600 HG21 VAL 80 HG21 VAL 80 8.634 5.776 -15.334 601 HG22 VAL 80 HG22 VAL 80 8.990 4.775 -16.743 602 HG23 VAL 80 HG23 VAL 80 7.337 5.308 -16.438 603 H TYR 81 HN TYR 81 11.156 7.873 -19.394 604 HA TYR 81 HA TYR 81 11.048 10.805 -18.996 605 HB2 TYR 81 HB2 TYR 81 13.007 9.113 -20.630 606 HB3 TYR 81 HB1 TYR 81 13.007 10.875 -20.574 607 HD1 TYR 81 HD1 TYR 81 13.825 7.796 -18.694 608 HD2 TYR 81 HD2 TYR 81 13.761 12.072 -18.552 609 HE1 TYR 81 HE1 TYR 81 15.240 7.750 -16.681 610 HE2 TYR 81 HE2 TYR 81 15.173 12.028 -16.545 611 HH TYR 81 HH TYR 81 15.719 10.519 -14.724 612 H LEU 82 HN LEU 82 10.083 12.049 -20.477 613 HA LEU 82 HA LEU 82 9.125 10.901 -23.047 614 HB2 LEU 82 HB2 LEU 82 7.232 11.339 -21.555 615 HB3 LEU 82 HB1 LEU 82 7.832 12.947 -21.188 616 HG LEU 82 HG LEU 82 7.381 13.626 -23.553 617 HD11 LEU 82 HD11 LEU 82 6.064 10.921 -23.864 618 HD12 LEU 82 HD12 LEU 82 7.537 11.467 -24.673 619 HD13 LEU 82 HD13 LEU 82 6.000 12.255 -25.021 620 HD21 LEU 82 HD21 LEU 82 4.944 13.784 -23.340 621 HD22 LEU 82 HD22 LEU 82 5.748 14.115 -21.807 622 HD23 LEU 82 HD23 LEU 82 4.966 12.553 -22.072 623 H GLN 83 HN GLN 83 10.823 11.597 -24.292 624 HA GLN 83 HA GLN 83 11.793 14.353 -24.212 625 HB2 GLN 83 HB2 GLN 83 13.428 12.543 -24.517 626 HB3 GLN 83 HB1 GLN 83 12.578 11.961 -25.941 627 HG2 GLN 83 HG2 GLN 83 14.628 13.194 -26.523 628 HG3 GLN 83 HG1 GLN 83 13.190 13.970 -27.181 629 HE21 GLN 83 HE21 GLN 83 12.611 16.023 -26.444 630 HE22 GLN 83 HE22 GLN 83 13.632 16.982 -25.431 631 H MET 84 HN MET 84 10.410 15.777 -25.098 632 HA MET 84 HA MET 84 8.868 15.122 -27.529 633 HB2 MET 84 HB2 MET 84 8.506 17.519 -25.684 634 HB3 MET 84 HB1 MET 84 7.385 16.915 -26.899 635 HG2 MET 84 HG2 MET 84 7.078 14.868 -25.495 636 HG3 MET 84 HG1 MET 84 8.078 15.629 -24.252 637 HE1 MET 84 HE1 MET 84 5.793 18.840 -23.452 638 HE2 MET 84 HE2 MET 84 7.016 18.793 -24.720 639 HE3 MET 84 HE3 MET 84 7.357 18.093 -23.138 640 H ASN 85 HN ASN 85 10.217 15.620 -29.261 641 HA ASN 85 HA ASN 85 11.593 18.223 -29.365 642 HB2 ASN 85 HB2 ASN 85 11.609 15.877 -31.309 643 HB3 ASN 85 HB1 ASN 85 12.469 17.390 -31.575 644 HD21 ASN 85 HD21 ASN 85 14.443 16.263 -31.679 645 HD22 ASN 85 HD22 ASN 85 15.222 15.652 -30.263 646 H SER 86 HN SER 86 11.193 19.773 -30.941 647 HA SER 86 HA SER 86 9.981 21.215 -32.157 648 HB2 SER 86 HB2 SER 86 10.450 19.567 -33.941 649 HB3 SER 86 HB1 SER 86 8.968 18.698 -33.546 650 HG SER 86 HG SER 86 9.261 20.728 -35.199 651 H LEU 87 HN LEU 87 8.888 21.673 -30.144 652 HA LEU 87 HA LEU 87 6.225 20.642 -29.692 653 HB2 LEU 87 HB2 LEU 87 7.908 22.736 -28.283 654 HB3 LEU 87 HB1 LEU 87 6.248 22.380 -27.803 655 HG LEU 87 HG LEU 87 8.548 20.375 -27.808 656 HD11 LEU 87 HD11 LEU 87 8.375 20.422 -25.377 657 HD12 LEU 87 HD12 LEU 87 7.143 21.685 -25.463 658 HD13 LEU 87 HD13 LEU 87 8.789 22.010 -26.015 659 HD21 LEU 87 HD21 LEU 87 6.451 19.261 -28.331 660 HD22 LEU 87 HD22 LEU 87 5.651 20.027 -26.957 661 HD23 LEU 87 HD23 LEU 87 6.941 18.858 -26.690 662 H LYS 88 HN LYS 88 4.395 22.053 -29.384 663 HA LYS 88 HA LYS 88 4.228 24.303 -31.302 664 HB2 LYS 88 HB2 LYS 88 1.826 23.493 -31.702 665 HB3 LYS 88 HB1 LYS 88 3.099 22.525 -32.418 666 HG2 LYS 88 HG2 LYS 88 1.881 21.732 -29.762 667 HG3 LYS 88 HG1 LYS 88 1.063 21.344 -31.277 668 HD2 LYS 88 HD2 LYS 88 3.013 20.034 -32.016 669 HD3 LYS 88 HD1 LYS 88 3.887 20.464 -30.542 670 HE2 LYS 88 HE2 LYS 88 2.923 18.185 -30.396 671 HE3 LYS 88 HE1 LYS 88 2.226 19.257 -29.183 672 HZ1 LYS 88 HZ1 LYS 88 0.288 19.535 -30.608 673 HZ2 LYS 88 HZ2 LYS 88 0.537 17.908 -30.230 674 HZ3 LYS 88 HZ3 LYS 88 0.960 18.493 -31.757 675 HA PRO 89 HA PRO 89 2.979 26.836 -27.948 676 HB2 PRO 89 HB2 PRO 89 0.836 28.327 -28.990 677 HB3 PRO 89 HB1 PRO 89 2.547 28.652 -29.306 678 HG2 PRO 89 HG2 PRO 89 0.565 27.106 -30.976 679 HG3 PRO 89 HG1 PRO 89 1.770 28.307 -31.495 680 HD2 PRO 89 HD2 PRO 89 2.256 25.701 -31.814 681 HD3 PRO 89 HD1 PRO 89 3.561 26.787 -31.285 682 H GLU 90 HN GLU 90 0.463 24.803 -29.285 683 HA GLU 90 HA GLU 90 -1.565 25.216 -27.315 684 HB2 GLU 90 HB2 GLU 90 -2.614 23.165 -28.248 685 HB3 GLU 90 HB1 GLU 90 -2.121 24.287 -29.516 686 HG2 GLU 90 HG2 GLU 90 -0.123 22.943 -29.957 687 HG3 GLU 90 HG1 GLU 90 -0.559 21.832 -28.660 688 H ASP 91 HN ASP 91 1.431 23.517 -27.136 689 HA ASP 91 HA ASP 91 0.693 21.639 -25.059 690 HB2 ASP 91 HB2 ASP 91 3.451 22.591 -25.943 691 HB3 ASP 91 HB1 ASP 91 3.152 21.253 -24.838 692 H THR 92 HN THR 92 0.661 24.912 -24.871 693 HA THR 92 HA THR 92 1.602 25.196 -22.171 694 HB THR 92 HB THR 92 -0.548 26.763 -23.674 695 HG1 THR 92 HG1 THR 92 1.574 26.806 -24.615 696 HG21 THR 92 HG21 THR 92 -0.116 28.577 -22.044 697 HG22 THR 92 HG22 THR 92 0.998 27.530 -21.162 698 HG23 THR 92 HG23 THR 92 -0.719 27.132 -21.226 699 H ALA 93 HN ALA 93 0.910 23.458 -20.993 700 HA ALA 93 HA ALA 93 -1.812 23.025 -20.203 701 HB1 ALA 93 HB1 ALA 93 -2.117 20.825 -21.336 702 HB2 ALA 93 HB2 ALA 93 -0.597 21.061 -22.202 703 HB3 ALA 93 HB3 ALA 93 -1.962 22.135 -22.507 704 H VAL 94 HN VAL 94 -1.848 20.592 -19.188 705 HA VAL 94 HA VAL 94 0.656 20.281 -17.635 706 HB VAL 94 HB VAL 94 -1.127 20.958 -16.163 707 HG11 VAL 94 HG11 VAL 94 -2.812 18.646 -17.176 708 HG12 VAL 94 HG12 VAL 94 -3.102 20.357 -17.489 709 HG13 VAL 94 HG13 VAL 94 -3.243 19.726 -15.846 710 HG21 VAL 94 HG21 VAL 94 0.434 19.282 -15.260 711 HG22 VAL 94 HG22 VAL 94 -0.632 17.981 -15.798 712 HG23 VAL 94 HG23 VAL 94 -1.169 19.097 -14.541 713 H TYR 95 HN TYR 95 1.826 18.686 -18.434 714 HA TYR 95 HA TYR 95 0.673 16.301 -19.649 715 HB2 TYR 95 HB2 TYR 95 3.480 17.377 -19.292 716 HB3 TYR 95 HB1 TYR 95 3.279 15.654 -19.556 717 HD1 TYR 95 HD1 TYR 95 2.415 18.982 -21.085 718 HD2 TYR 95 HD2 TYR 95 3.079 14.816 -21.773 719 HE1 TYR 95 HE1 TYR 95 2.331 19.366 -23.517 720 HE2 TYR 95 HE2 TYR 95 2.993 15.198 -24.194 721 HH TYR 95 HH TYR 95 2.981 18.353 -25.594 722 H LEU 96 HN LEU 96 -0.197 14.875 -18.279 723 HA LEU 96 HA LEU 96 1.083 14.315 -15.677 724 HB2 LEU 96 HB2 LEU 96 -1.135 13.471 -14.968 725 HB3 LEU 96 HB1 LEU 96 -1.164 15.149 -15.461 726 HG LEU 96 HG LEU 96 -2.015 14.098 -17.795 727 HD11 LEU 96 HD11 LEU 96 -1.856 11.751 -17.162 728 HD12 LEU 96 HD12 LEU 96 -3.528 12.197 -17.489 729 HD13 LEU 96 HD13 LEU 96 -2.979 12.007 -15.821 730 HD21 LEU 96 HD21 LEU 96 -4.339 14.512 -17.103 731 HD22 LEU 96 HD22 LEU 96 -3.252 15.764 -16.508 732 HD23 LEU 96 HD23 LEU 96 -3.842 14.516 -15.407 733 H CYS 97 HN CYS 97 1.257 12.166 -15.008 734 HA CYS 97 HA CYS 97 1.393 10.114 -17.115 735 HB2 CYS 97 HB2 CYS 97 3.554 10.650 -16.018 736 HB3 CYS 97 HB1 CYS 97 2.859 10.273 -14.444 737 HG CYS 97 HG CYS 97 4.202 8.041 -14.747 738 H ALA 98 HN ALA 98 0.723 7.973 -16.468 739 HA ALA 98 HA ALA 98 -1.177 7.810 -14.194 740 HB1 ALA 98 HB1 ALA 98 -1.623 6.703 -17.007 741 HB2 ALA 98 HB2 ALA 98 -2.476 8.070 -16.283 742 HB3 ALA 98 HB3 ALA 98 -2.684 6.451 -15.616 743 H ALA 99 HN ALA 99 -1.179 5.780 -13.157 744 HA ALA 99 HA ALA 99 0.959 3.867 -13.931 745 HB1 ALA 99 HB1 ALA 99 1.341 4.935 -11.728 746 HB2 ALA 99 HB2 ALA 99 1.009 3.212 -11.539 747 HB3 ALA 99 HB3 ALA 99 -0.250 4.396 -11.178 748 H GLY 100 HN GLY 100 0.150 2.012 -14.783 749 HA2 GLY 100 HA2 GLY 100 -2.733 1.401 -14.410 750 HA3 GLY 100 HA1 GLY 100 -1.898 1.313 -15.951 751 H VAL 101 HN VAL 101 -3.374 -0.725 -14.933 752 HA VAL 101 HA VAL 101 -1.378 -2.889 -14.631 753 HB VAL 101 HB VAL 101 -4.195 -2.828 -13.402 754 HG11 VAL 101 HG11 VAL 101 -3.630 -5.051 -12.428 755 HG12 VAL 101 HG12 VAL 101 -2.087 -5.036 -13.283 756 HG13 VAL 101 HG13 VAL 101 -3.596 -5.103 -14.195 757 HG21 VAL 101 HG21 VAL 101 -3.050 -2.896 -11.200 758 HG22 VAL 101 HG22 VAL 101 -2.611 -1.445 -12.104 759 HG23 VAL 101 HG23 VAL 101 -1.483 -2.800 -12.011 760 H TRP 102 HN TRP 102 -1.550 -4.368 -16.254 761 HA TRP 102 HA TRP 102 -3.286 -3.939 -18.472 762 HB2 TRP 102 HB2 TRP 102 -2.132 -5.775 -19.540 763 HB3 TRP 102 HB1 TRP 102 -0.927 -4.896 -18.610 764 HD1 TRP 102 HD1 TRP 102 -0.145 -6.161 -16.194 765 HE1 TRP 102 HE1 TRP 102 0.028 -8.674 -15.666 766 HE3 TRP 102 HE3 TRP 102 -3.051 -8.019 -19.989 767 HZ2 TRP 102 HZ2 TRP 102 -0.931 -11.113 -16.699 768 HZ3 TRP 102 HZ3 TRP 102 -3.372 -10.457 -20.145 769 HH2 TRP 102 HH2 TRP 102 -2.333 -11.974 -18.531 770 H ARG 103 HN ARG 103 -5.192 -4.912 -18.993 771 HA ARG 103 HA ARG 103 -6.186 -7.201 -17.395 772 HB2 ARG 103 HB2 ARG 103 -7.658 -5.329 -19.313 773 HB3 ARG 103 HB1 ARG 103 -8.399 -6.743 -18.563 774 HG2 ARG 103 HG2 ARG 103 -7.349 -4.279 -17.111 775 HG3 ARG 103 HG1 ARG 103 -9.045 -4.681 -17.401 776 HD2 ARG 103 HD2 ARG 103 -8.764 -6.734 -16.023 777 HD3 ARG 103 HD1 ARG 103 -7.089 -6.264 -15.701 778 HE ARG 103 HE ARG 103 -8.976 -4.228 -14.974 779 HH11 ARG 103 HH11 ARG 103 -7.411 -7.144 -13.834 780 HH12 ARG 103 HH12 ARG 103 -7.730 -6.807 -12.166 781 HH21 ARG 103 HH21 ARG 103 -9.428 -3.808 -12.799 782 HH22 ARG 103 HH22 ARG 103 -8.889 -4.915 -11.580 783 H SER 104 HN SER 104 -6.705 -9.121 -18.430 784 HA SER 104 HA SER 104 -5.443 -9.796 -20.903 785 HB2 SER 104 HB2 SER 104 -5.813 -11.446 -19.077 786 HB3 SER 104 HB1 SER 104 -7.556 -11.333 -19.325 787 HG SER 104 HG SER 104 -5.975 -11.926 -21.546 788 H SER 105 HN SER 105 -8.502 -8.464 -20.045 789 HA SER 105 HA SER 105 -9.982 -8.834 -22.427 790 HB2 SER 105 HB2 SER 105 -10.950 -8.044 -20.271 791 HB3 SER 105 HB1 SER 105 -10.052 -6.534 -20.415 792 HG SER 105 HG SER 105 -11.414 -6.860 -22.666 793 H GLY 106 HN GLY 106 -7.222 -6.887 -21.693 794 HA2 GLY 106 HA2 GLY 106 -5.828 -6.143 -23.505 795 HA3 GLY 106 HA1 GLY 106 -7.268 -5.719 -24.415 796 H TRP 107 HN TRP 107 -8.499 -4.511 -21.989 797 HA TRP 107 HA TRP 107 -7.590 -1.819 -22.375 798 HB2 TRP 107 HB2 TRP 107 -9.587 -2.972 -20.364 799 HB3 TRP 107 HB1 TRP 107 -9.353 -1.257 -20.691 800 HD1 TRP 107 HD1 TRP 107 -10.629 -4.462 -22.515 801 HE1 TRP 107 HE1 TRP 107 -12.335 -3.736 -24.294 802 HE3 TRP 107 HE3 TRP 107 -10.218 0.629 -22.039 803 HZ2 TRP 107 HZ2 TRP 107 -13.377 -1.346 -25.362 804 HZ3 TRP 107 HZ3 TRP 107 -11.614 2.064 -23.480 805 HH2 TRP 107 HH2 TRP 107 -13.165 1.095 -25.109 806 H ASP 108 HN ASP 108 -5.661 -1.182 -21.456 807 HA ASP 108 HA ASP 108 -4.760 -2.264 -18.898 808 HB2 ASP 108 HB2 ASP 108 -3.190 -1.661 -20.836 809 HB3 ASP 108 HB1 ASP 108 -3.500 0.033 -20.477 810 H THR 109 HN THR 109 -5.855 -1.549 -17.180 811 HA THR 109 HA THR 109 -7.284 0.957 -17.184 812 HB THR 109 HB THR 109 -8.483 -0.913 -16.266 813 HG1 THR 109 HG1 THR 109 -7.735 0.607 -13.984 814 HG21 THR 109 HG21 THR 109 -6.288 -1.264 -14.188 815 HG22 THR 109 HG22 THR 109 -6.607 -2.357 -15.536 816 HG23 THR 109 HG23 THR 109 -7.804 -2.165 -14.251 817 HA PRO 110 HA PRO 110 -3.843 3.125 -15.088 818 HB2 PRO 110 HB2 PRO 110 -5.609 5.517 -15.168 819 HB3 PRO 110 HB1 PRO 110 -4.034 5.263 -15.931 820 HG2 PRO 110 HG2 PRO 110 -6.317 5.385 -17.381 821 HG3 PRO 110 HG1 PRO 110 -4.961 4.341 -17.858 822 HD2 PRO 110 HD2 PRO 110 -7.511 3.584 -16.403 823 HD3 PRO 110 HD1 PRO 110 -6.705 2.765 -17.763 824 H ASP 111 HN ASP 111 -3.970 2.163 -13.091 825 HA ASP 111 HA ASP 111 -6.245 2.222 -11.363 826 HB2 ASP 111 HB2 ASP 111 -4.519 0.359 -11.545 827 HB3 ASP 111 HB1 ASP 111 -3.380 1.394 -10.692 828 H TYR 112 HN TYR 112 -3.178 3.946 -11.458 829 HA TYR 112 HA TYR 112 -4.210 5.964 -9.558 830 HB2 TYR 112 HB2 TYR 112 -1.281 5.129 -9.866 831 HB3 TYR 112 HB1 TYR 112 -1.900 6.352 -8.762 832 HD1 TYR 112 HD1 TYR 112 -3.652 5.499 -6.962 833 HD2 TYR 112 HD2 TYR 112 -0.947 2.936 -9.061 834 HE1 TYR 112 HE1 TYR 112 -3.888 3.802 -5.201 835 HE2 TYR 112 HE2 TYR 112 -1.186 1.244 -7.301 836 HH TYR 112 HH TYR 112 -3.617 1.364 -4.948 837 H TRP 113 HN TRP 113 -3.132 8.085 -9.903 838 HA TRP 113 HA TRP 113 -1.994 8.580 -12.580 839 HB2 TRP 113 HB2 TRP 113 -4.209 10.203 -11.229 840 HB3 TRP 113 HB1 TRP 113 -3.268 10.806 -12.590 841 HD1 TRP 113 HD1 TRP 113 -3.792 9.770 -15.016 842 HE1 TRP 113 HE1 TRP 113 -5.783 8.429 -15.931 843 HE3 TRP 113 HE3 TRP 113 -5.978 8.382 -10.587 844 HZ2 TRP 113 HZ2 TRP 113 -7.979 6.980 -14.940 845 HZ3 TRP 113 HZ3 TRP 113 -8.029 7.014 -10.664 846 HH2 TRP 113 HH2 TRP 113 -9.009 6.327 -12.801 847 H GLY 114 HN GLY 114 -0.876 10.729 -12.611 848 HA2 GLY 114 HA2 GLY 114 0.906 10.854 -10.293 849 HA3 GLY 114 HA1 GLY 114 1.182 11.546 -11.886 850 H GLN 115 HN GLN 115 1.934 13.245 -10.279 851 HA GLN 115 HA GLN 115 -0.026 14.960 -9.017 852 HB2 GLN 115 HB2 GLN 115 2.908 15.464 -9.711 853 HB3 GLN 115 HB1 GLN 115 1.930 16.450 -8.622 854 HG2 GLN 115 HG2 GLN 115 1.748 14.580 -7.048 855 HG3 GLN 115 HG1 GLN 115 2.620 13.527 -8.157 856 HE21 GLN 115 HE21 GLN 115 4.610 15.566 -8.886 857 HE22 GLN 115 HE22 GLN 115 5.640 15.733 -7.516 858 H GLY 116 HN GLY 116 1.613 14.752 -12.096 859 HA2 GLY 116 HA2 GLY 116 1.104 15.747 -14.129 860 HA3 GLY 116 HA1 GLY 116 -0.004 16.849 -13.320 861 H THR 117 HN THR 117 2.753 16.847 -15.056 862 HA THR 117 HA THR 117 4.045 19.043 -13.588 863 HB THR 117 HB THR 117 5.549 17.276 -14.379 864 HG1 THR 117 HG1 THR 117 6.432 19.319 -14.228 865 HG21 THR 117 HG21 THR 117 6.085 16.961 -16.764 866 HG22 THR 117 HG22 THR 117 4.788 18.070 -17.217 867 HG23 THR 117 HG23 THR 117 4.406 16.538 -16.431 868 H GLN 118 HN GLN 118 3.497 21.024 -14.012 869 HA GLN 118 HA GLN 118 1.801 21.755 -16.234 870 HB2 GLN 118 HB2 GLN 118 1.894 22.718 -13.724 871 HB3 GLN 118 HB1 GLN 118 3.105 23.798 -14.399 872 HG2 GLN 118 HG2 GLN 118 0.197 23.559 -15.246 873 HG3 GLN 118 HG1 GLN 118 0.927 24.885 -14.345 874 HE21 GLN 118 HE21 GLN 118 0.492 23.427 -17.457 875 HE22 GLN 118 HE22 GLN 118 1.144 24.713 -18.402 876 H VAL 119 HN VAL 119 2.752 21.988 -18.212 877 HA VAL 119 HA VAL 119 5.388 23.342 -18.437 878 HB VAL 119 HB VAL 119 5.709 22.231 -20.605 879 HG11 VAL 119 HG11 VAL 119 4.968 20.216 -18.440 880 HG12 VAL 119 HG12 VAL 119 6.530 21.013 -18.642 881 HG13 VAL 119 HG13 VAL 119 5.965 19.868 -19.859 882 HG21 VAL 119 HG21 VAL 119 3.025 20.858 -20.156 883 HG22 VAL 119 HG22 VAL 119 4.144 20.514 -21.480 884 HG23 VAL 119 HG23 VAL 119 3.370 22.093 -21.367 885 H THR 120 HN THR 120 5.539 25.140 -19.801 886 HA THR 120 HA THR 120 3.063 26.085 -21.154 887 HB THR 120 HB THR 120 5.064 27.778 -19.581 888 HG1 THR 120 HG1 THR 120 3.396 26.483 -18.428 889 HG21 THR 120 HG21 THR 120 2.556 28.656 -21.076 890 HG22 THR 120 HG22 THR 120 4.218 29.010 -21.557 891 HG23 THR 120 HG23 THR 120 3.569 29.692 -20.065 892 H VAL 121 HN VAL 121 3.585 25.706 -23.263 893 HA VAL 121 HA VAL 121 6.261 26.388 -24.270 894 HB VAL 121 HB VAL 121 3.926 25.011 -25.682 895 HG11 VAL 121 HG11 VAL 121 6.794 25.421 -26.651 896 HG12 VAL 121 HG12 VAL 121 5.358 26.200 -27.321 897 HG13 VAL 121 HG13 VAL 121 5.562 24.453 -27.471 898 HG21 VAL 121 HG21 VAL 121 4.879 23.632 -23.868 899 HG22 VAL 121 HG22 VAL 121 6.502 23.858 -24.522 900 HG23 VAL 121 HG23 VAL 121 5.305 22.950 -25.442 901 H SER 122 HN SER 122 6.357 28.616 -24.315 902 HA SER 122 HA SER 122 4.361 30.304 -25.460 903 HB2 SER 122 HB2 SER 122 7.342 30.700 -25.007 904 HB3 SER 122 HB1 SER 122 6.267 31.978 -25.580 905 HG SER 122 HG SER 122 5.539 32.218 -23.621 906 H SER 123 HN SER 123 4.356 31.375 -27.507 907 HA SER 123 HA SER 123 5.075 29.657 -29.719 908 HB2 SER 123 HB2 SER 123 3.884 31.469 -31.065 909 HB3 SER 123 HB1 SER 123 2.905 30.708 -29.807 910 HG SER 123 HG SER 123 4.345 33.084 -29.264 911 H LEU 124 HN LEU 124 7.355 29.701 -29.619 912 HA LEU 124 HA LEU 124 9.417 30.203 -30.352 913 HB2 LEU 124 HB2 LEU 124 7.881 32.268 -31.930 914 HB3 LEU 124 HB1 LEU 124 9.629 32.364 -31.922 915 HG LEU 124 HG LEU 124 8.837 31.208 -33.920 916 HD11 LEU 124 HD11 LEU 124 11.013 30.571 -33.013 917 HD12 LEU 124 HD12 LEU 124 10.236 29.223 -33.838 918 HD13 LEU 124 HD13 LEU 124 10.263 29.276 -32.071 919 HD21 LEU 124 HD21 LEU 124 7.701 29.050 -33.864 920 HD22 LEU 124 HD22 LEU 124 6.730 30.288 -33.074 921 HD23 LEU 124 HD23 LEU 124 7.613 29.111 -32.099 922 H GLU 125 HN GLU 125 7.768 32.454 -28.380 923 HA GLU 125 HA GLU 125 9.856 34.442 -28.247 924 HB2 GLU 125 HB2 GLU 125 7.378 34.962 -28.081 925 HB3 GLU 125 HB1 GLU 125 7.361 34.173 -26.506 926 HG2 GLU 125 HG2 GLU 125 8.961 35.840 -25.645 927 HG3 GLU 125 HG1 GLU 125 9.016 36.621 -27.225 928 H HIS 126 HN HIS 126 11.496 34.482 -26.846 929 HA HIS 126 HA HIS 126 11.738 32.470 -24.704 930 HB2 HIS 126 HB2 HIS 126 13.812 34.289 -26.015 931 HB3 HIS 126 HB1 HIS 126 14.165 33.152 -24.716 932 HD1 HIS 126 HD1 HIS 126 13.545 33.339 -28.388 933 HD2 HIS 126 HD2 HIS 126 14.176 30.429 -25.491 934 HE1 HIS 126 HE1 HIS 126 14.028 31.226 -29.652 935 HE2 HIS 126 HE2 HIS 126 14.511 29.510 -27.880 936 H HIS 127 HN HIS 127 10.364 33.494 -23.178 937 HA HIS 127 HA HIS 127 11.725 35.544 -21.599 938 HB2 HIS 127 HB2 HIS 127 8.906 35.892 -22.698 939 HB3 HIS 127 HB1 HIS 127 9.381 36.661 -21.191 940 HD1 HIS 127 HD1 HIS 127 9.029 37.556 -24.521 941 HD2 HIS 127 HD2 HIS 127 12.067 38.138 -21.767 942 HE1 HIS 127 HE1 HIS 127 10.403 39.437 -25.448 943 HE2 HIS 127 HE2 HIS 127 12.147 39.873 -23.681 944 H HIS 128 HN HIS 128 11.792 34.998 -19.569 945 HA HIS 128 HA HIS 128 10.513 32.623 -18.560 946 HB2 HIS 128 HB2 HIS 128 12.266 34.653 -17.092 947 HB3 HIS 128 HB1 HIS 128 11.851 33.039 -16.522 948 HD1 HIS 128 HD1 HIS 128 14.316 34.857 -18.521 949 HD2 HIS 128 HD2 HIS 128 13.077 30.920 -18.081 950 HE1 HIS 128 HE1 HIS 128 16.112 33.472 -19.589 951 HE2 HIS 128 HE2 HIS 128 15.310 31.095 -19.372 952 H HIS 129 HN HIS 129 8.440 32.712 -17.972 953 HA HIS 129 HA HIS 129 6.839 34.927 -17.516 954 HB2 HIS 129 HB2 HIS 129 5.124 33.366 -16.703 955 HB3 HIS 129 HB1 HIS 129 5.989 32.624 -18.040 956 HD1 HIS 129 HD1 HIS 129 4.827 31.902 -14.715 957 HD2 HIS 129 HD2 HIS 129 8.123 30.762 -16.979 958 HE1 HIS 129 HE1 HIS 129 5.770 29.877 -13.554 959 HE2 HIS 129 HE2 HIS 129 7.711 29.161 -14.989 960 H HIS 130 HN HIS 130 6.681 36.360 -15.859 961 HA HIS 130 HA HIS 130 8.200 35.943 -13.406 962 HB2 HIS 130 HB2 HIS 130 6.525 38.339 -14.287 963 HB3 HIS 130 HB1 HIS 130 7.600 38.299 -12.891 964 HD1 HIS 130 HD1 HIS 130 7.537 39.435 -16.245 965 HD2 HIS 130 HD2 HIS 130 10.419 37.643 -13.855 966 HE1 HIS 130 HE1 HIS 130 9.737 39.990 -17.323 967 HE2 HIS 130 HE2 HIS 130 11.460 39.081 -15.729 968 H HIS 131 HN HIS 131 7.233 34.551 -12.076 969 HA HIS 131 HA HIS 131 4.480 34.179 -11.617 970 HB2 HIS 131 HB2 HIS 131 6.131 32.451 -11.043 971 HB3 HIS 131 HB1 HIS 131 6.871 33.499 -9.836 972 HD1 HIS 131 HD1 HIS 131 5.447 33.924 -7.632 973 HD2 HIS 131 HD2 HIS 131 3.908 31.011 -10.172 974 HE1 HIS 131 HE1 HIS 131 3.776 32.650 -6.256 975 HE2 HIS 131 HE2 HIS 131 2.922 30.846 -7.782 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 2.221 0.167 -1.669 2 H2 MET 1 HT2 MET 1 2.953 -0.748 -2.887 3 H3 MET 1 HT3 MET 1 2.407 -1.501 -1.474 4 HA MET 1 HA MET 1 0.939 -1.889 -3.359 5 HB2 MET 1 HB2 MET 1 0.030 -1.972 -1.080 6 HB3 MET 1 HB1 MET 1 -0.205 -0.232 -1.077 7 HG2 MET 1 HG2 MET 1 -2.324 -1.354 -1.371 8 HG3 MET 1 HG1 MET 1 -1.916 -0.471 -2.844 9 HE1 MET 1 HE1 MET 1 -3.935 -1.941 -3.966 10 HE2 MET 1 HE2 MET 1 -4.147 -2.878 -2.484 11 HE3 MET 1 HE3 MET 1 -3.916 -3.703 -4.026 12 H GLN 2 HN GLN 2 0.200 1.454 -2.254 13 HA GLN 2 HA GLN 2 -0.883 2.140 -4.833 14 HB2 GLN 2 HB2 GLN 2 -0.364 3.911 -2.409 15 HB3 GLN 2 HB1 GLN 2 -1.293 4.373 -3.835 16 HG2 GLN 2 HG2 GLN 2 -2.912 2.550 -3.329 17 HG3 GLN 2 HG1 GLN 2 -2.006 2.181 -1.861 18 HE21 GLN 2 HE21 GLN 2 -4.785 3.032 -2.161 19 HE22 GLN 2 HE22 GLN 2 -4.960 4.479 -1.242 20 H LEU 3 HN LEU 3 0.610 2.176 -6.406 21 HA LEU 3 HA LEU 3 3.244 3.254 -6.180 22 HB2 LEU 3 HB2 LEU 3 2.411 1.419 -7.787 23 HB3 LEU 3 HB1 LEU 3 1.689 2.690 -8.744 24 HG LEU 3 HG LEU 3 3.848 1.791 -9.653 25 HD11 LEU 3 HD11 LEU 3 3.100 4.003 -10.342 26 HD12 LEU 3 HD12 LEU 3 4.858 3.899 -10.283 27 HD13 LEU 3 HD13 LEU 3 3.981 4.736 -8.998 28 HD21 LEU 3 HD21 LEU 3 5.022 1.367 -7.555 29 HD22 LEU 3 HD22 LEU 3 5.147 3.101 -7.249 30 HD23 LEU 3 HD23 LEU 3 5.985 2.383 -8.626 31 H GLN 4 HN GLN 4 3.438 5.334 -5.756 32 HA GLN 4 HA GLN 4 1.766 7.476 -6.677 33 HB2 GLN 4 HB2 GLN 4 4.494 7.562 -5.317 34 HB3 GLN 4 HB1 GLN 4 3.344 8.896 -5.432 35 HG2 GLN 4 HG2 GLN 4 1.795 7.775 -3.953 36 HG3 GLN 4 HG1 GLN 4 2.768 6.300 -3.964 37 HE21 GLN 4 HE21 GLN 4 4.679 6.229 -2.744 38 HE22 GLN 4 HE22 GLN 4 5.031 7.402 -1.528 39 H LEU 5 HN LEU 5 2.369 9.140 -8.092 40 HA LEU 5 HA LEU 5 4.682 8.693 -9.895 41 HB2 LEU 5 HB2 LEU 5 1.884 9.671 -10.600 42 HB3 LEU 5 HB1 LEU 5 3.239 9.663 -11.717 43 HG LEU 5 HG LEU 5 2.042 7.153 -10.467 44 HD11 LEU 5 HD11 LEU 5 1.565 8.289 -13.243 45 HD12 LEU 5 HD12 LEU 5 0.391 8.217 -11.924 46 HD13 LEU 5 HD13 LEU 5 0.993 6.728 -12.644 47 HD21 LEU 5 HD21 LEU 5 4.398 6.881 -11.114 48 HD22 LEU 5 HD22 LEU 5 4.040 7.465 -12.743 49 HD23 LEU 5 HD23 LEU 5 3.346 5.943 -12.172 50 H VAL 6 HN VAL 6 6.075 10.361 -9.707 51 HA VAL 6 HA VAL 6 5.071 13.090 -9.072 52 HB VAL 6 HB VAL 6 7.775 11.881 -8.296 53 HG11 VAL 6 HG11 VAL 6 7.959 14.305 -8.740 54 HG12 VAL 6 HG12 VAL 6 8.143 13.978 -7.016 55 HG13 VAL 6 HG13 VAL 6 6.620 14.624 -7.632 56 HG21 VAL 6 HG21 VAL 6 5.954 10.930 -6.928 57 HG22 VAL 6 HG22 VAL 6 5.392 12.552 -6.519 58 HG23 VAL 6 HG23 VAL 6 6.968 11.998 -5.952 59 H GLU 7 HN GLU 7 4.962 13.958 -11.083 60 HA GLU 7 HA GLU 7 7.098 13.590 -13.047 61 HB2 GLU 7 HB2 GLU 7 4.499 15.175 -13.308 62 HB3 GLU 7 HB1 GLU 7 5.664 14.897 -14.594 63 HG2 GLU 7 HG2 GLU 7 4.135 13.279 -15.125 64 HG3 GLU 7 HG1 GLU 7 5.188 12.346 -14.072 65 H SER 8 HN SER 8 8.154 15.351 -14.067 66 HA SER 8 HA SER 8 8.198 18.013 -13.027 67 HB2 SER 8 HB2 SER 8 10.564 17.859 -12.101 68 HB3 SER 8 HB1 SER 8 9.363 17.001 -11.139 69 HG SER 8 HG SER 8 10.253 15.272 -12.917 70 H GLY 9 HN GLY 9 9.873 19.333 -14.128 71 HA2 GLY 9 HA2 GLY 9 11.641 19.467 -15.803 72 HA3 GLY 9 HA1 GLY 9 10.917 18.103 -16.641 73 H GLY 10 HN GLY 10 8.401 19.948 -15.611 74 HA2 GLY 10 HA2 GLY 10 7.831 20.984 -18.244 75 HA3 GLY 10 HA1 GLY 10 6.825 21.119 -16.812 76 H GLY 11 HN GLY 11 8.559 22.874 -18.984 77 HA2 GLY 11 HA2 GLY 11 8.477 25.291 -17.317 78 HA3 GLY 11 HA1 GLY 11 10.035 24.857 -18.022 79 H LEU 12 HN LEU 12 9.235 27.207 -18.760 80 HA LEU 12 HA LEU 12 7.612 27.125 -21.142 81 HB2 LEU 12 HB2 LEU 12 7.643 29.066 -19.510 82 HB3 LEU 12 HB1 LEU 12 9.222 29.455 -20.139 83 HG LEU 12 HG LEU 12 6.839 29.331 -21.998 84 HD11 LEU 12 HD11 LEU 12 6.485 31.747 -21.702 85 HD12 LEU 12 HD12 LEU 12 7.683 31.772 -20.404 86 HD13 LEU 12 HD13 LEU 12 6.184 30.861 -20.207 87 HD21 LEU 12 HD21 LEU 12 8.126 30.970 -23.337 88 HD22 LEU 12 HD22 LEU 12 8.990 29.453 -23.123 89 HD23 LEU 12 HD23 LEU 12 9.451 30.867 -22.175 90 H VAL 13 HN VAL 13 8.411 26.365 -22.949 91 HA VAL 13 HA VAL 13 11.103 27.208 -23.842 92 HB VAL 13 HB VAL 13 11.205 25.242 -25.312 93 HG11 VAL 13 HG11 VAL 13 10.522 24.390 -22.470 94 HG12 VAL 13 HG12 VAL 13 12.100 24.941 -23.036 95 HG13 VAL 13 HG13 VAL 13 11.428 23.424 -23.640 96 HG21 VAL 13 HG21 VAL 13 8.825 24.943 -25.846 97 HG22 VAL 13 HG22 VAL 13 8.497 24.420 -24.193 98 HG23 VAL 13 HG23 VAL 13 9.505 23.425 -25.246 99 H GLN 14 HN GLN 14 11.220 27.732 -26.122 100 HA GLN 14 HA GLN 14 8.950 29.151 -27.193 101 HB2 GLN 14 HB2 GLN 14 10.420 29.843 -29.004 102 HB3 GLN 14 HB1 GLN 14 11.320 29.956 -27.503 103 HG2 GLN 14 HG2 GLN 14 11.584 27.690 -29.516 104 HG3 GLN 14 HG1 GLN 14 12.672 29.081 -29.405 105 HE21 GLN 14 HE21 GLN 14 11.647 26.099 -27.856 106 HE22 GLN 14 HE22 GLN 14 13.026 25.942 -26.822 107 H ALA 15 HN ALA 15 8.018 28.760 -29.305 108 HA ALA 15 HA ALA 15 7.295 26.108 -29.954 109 HB1 ALA 15 HB1 ALA 15 6.225 27.095 -31.945 110 HB2 ALA 15 HB2 ALA 15 7.085 28.612 -31.662 111 HB3 ALA 15 HB3 ALA 15 5.882 28.051 -30.500 112 H GLY 16 HN GLY 16 8.151 24.668 -31.356 113 HA2 GLY 16 HA2 GLY 16 9.498 23.771 -33.033 114 HA3 GLY 16 HA1 GLY 16 10.362 25.296 -33.167 115 H GLY 17 HN GLY 17 10.190 24.771 -29.940 116 HA2 GLY 17 HA2 GLY 17 12.930 23.740 -29.784 117 HA3 GLY 17 HA1 GLY 17 12.003 24.489 -28.496 118 H SER 18 HN SER 18 13.234 22.492 -27.546 119 HA SER 18 HA SER 18 11.403 20.163 -27.517 120 HB2 SER 18 HB2 SER 18 13.501 18.741 -27.255 121 HB3 SER 18 HB1 SER 18 13.310 19.499 -28.835 122 HG SER 18 HG SER 18 15.060 20.199 -26.744 123 H LEU 19 HN LEU 19 11.446 18.917 -25.565 124 HA LEU 19 HA LEU 19 12.741 19.882 -23.170 125 HB2 LEU 19 HB2 LEU 19 10.789 21.449 -23.439 126 HB3 LEU 19 HB1 LEU 19 9.704 20.071 -23.415 127 HG LEU 19 HG LEU 19 10.395 19.578 -21.069 128 HD11 LEU 19 HD11 LEU 19 12.015 22.134 -21.257 129 HD12 LEU 19 HD12 LEU 19 12.653 20.495 -21.085 130 HD13 LEU 19 HD13 LEU 19 11.705 21.209 -19.785 131 HD21 LEU 19 HD21 LEU 19 8.396 20.943 -21.491 132 HD22 LEU 19 HD22 LEU 19 9.376 22.411 -21.470 133 HD23 LEU 19 HD23 LEU 19 9.204 21.440 -20.005 134 H ARG 20 HN ARG 20 13.083 18.132 -21.859 135 HA ARG 20 HA ARG 20 11.543 15.648 -22.359 136 HB2 ARG 20 HB2 ARG 20 14.035 15.513 -22.665 137 HB3 ARG 20 HB1 ARG 20 14.244 15.905 -20.961 138 HG2 ARG 20 HG2 ARG 20 12.995 13.821 -20.362 139 HG3 ARG 20 HG1 ARG 20 12.853 13.439 -22.080 140 HD2 ARG 20 HD2 ARG 20 14.672 12.149 -21.159 141 HD3 ARG 20 HD1 ARG 20 15.353 13.385 -22.220 142 HE ARG 20 HE ARG 20 15.223 14.149 -19.433 143 HH11 ARG 20 HH11 ARG 20 17.253 12.649 -21.884 144 HH12 ARG 20 HH12 ARG 20 18.708 12.854 -20.966 145 HH21 ARG 20 HH21 ARG 20 17.122 14.389 -18.242 146 HH22 ARG 20 HH22 ARG 20 18.631 13.845 -18.899 147 H LEU 21 HN LEU 21 10.284 14.825 -20.807 148 HA LEU 21 HA LEU 21 10.151 16.082 -18.157 149 HB2 LEU 21 HB2 LEU 21 8.199 14.155 -19.499 150 HB3 LEU 21 HB1 LEU 21 7.969 14.901 -17.932 151 HG LEU 21 HG LEU 21 6.574 16.137 -19.364 152 HD11 LEU 21 HD11 LEU 21 7.908 17.605 -17.952 153 HD12 LEU 21 HD12 LEU 21 7.472 18.384 -19.470 154 HD13 LEU 21 HD13 LEU 21 9.110 17.772 -19.236 155 HD21 LEU 21 HD21 LEU 21 7.364 15.267 -21.499 156 HD22 LEU 21 HD22 LEU 21 8.791 16.304 -21.417 157 HD23 LEU 21 HD23 LEU 21 7.181 17.019 -21.557 158 H SER 22 HN SER 22 9.854 14.683 -16.302 159 HA SER 22 HA SER 22 10.940 11.964 -16.428 160 HB2 SER 22 HB2 SER 22 12.529 12.529 -14.528 161 HB3 SER 22 HB1 SER 22 12.946 13.305 -16.054 162 HG SER 22 HG SER 22 11.631 15.144 -15.136 163 H CYS 23 HN CYS 23 9.849 10.662 -15.059 164 HA CYS 23 HA CYS 23 8.322 11.788 -12.796 165 HB2 CYS 23 HB2 CYS 23 6.694 11.387 -14.575 166 HB3 CYS 23 HB1 CYS 23 7.303 9.749 -14.816 167 HG CYS 23 HG CYS 23 4.949 10.770 -12.772 168 H VAL 24 HN VAL 24 9.284 10.924 -11.037 169 HA VAL 24 HA VAL 24 10.469 8.254 -11.120 170 HB VAL 24 HB VAL 24 10.274 10.119 -8.720 171 HG11 VAL 24 HG11 VAL 24 10.836 7.787 -8.137 172 HG12 VAL 24 HG12 VAL 24 12.229 8.838 -7.874 173 HG13 VAL 24 HG13 VAL 24 12.166 7.801 -9.302 174 HG21 VAL 24 HG21 VAL 24 12.511 9.962 -10.782 175 HG22 VAL 24 HG22 VAL 24 12.567 10.893 -9.283 176 HG23 VAL 24 HG23 VAL 24 11.409 11.324 -10.543 177 H ALA 25 HN ALA 25 9.544 6.468 -10.245 178 HA ALA 25 HA ALA 25 6.723 6.603 -9.525 179 HB1 ALA 25 HB1 ALA 25 6.786 4.143 -9.826 180 HB2 ALA 25 HB2 ALA 25 8.533 4.217 -10.073 181 HB3 ALA 25 HB3 ALA 25 7.447 4.988 -11.231 182 H SER 26 HN SER 26 6.557 7.255 -7.446 183 HA SER 26 HA SER 26 6.425 7.210 -5.192 184 HB2 SER 26 HB2 SER 26 7.188 4.279 -5.375 185 HB3 SER 26 HB1 SER 26 6.258 5.060 -4.100 186 HG SER 26 HG SER 26 5.368 5.125 -6.769 187 H GLY 27 HN GLY 27 9.126 7.663 -6.470 188 HA2 GLY 27 HA2 GLY 27 11.274 8.142 -5.795 189 HA3 GLY 27 HA1 GLY 27 10.785 7.798 -4.141 190 H ARG 28 HN ARG 28 11.410 6.110 -7.210 191 HA ARG 28 HA ARG 28 12.534 4.274 -7.833 192 HB2 ARG 28 HB2 ARG 28 14.417 5.480 -6.729 193 HB3 ARG 28 HB1 ARG 28 14.074 4.628 -5.231 194 HG2 ARG 28 HG2 ARG 28 14.685 2.491 -6.276 195 HG3 ARG 28 HG1 ARG 28 14.950 3.298 -7.822 196 HD2 ARG 28 HD2 ARG 28 17.077 2.850 -6.674 197 HD3 ARG 28 HD1 ARG 28 16.807 4.588 -6.845 198 HE ARG 28 HE ARG 28 15.940 3.412 -4.331 199 HH11 ARG 28 HH11 ARG 28 18.541 5.101 -5.971 200 HH12 ARG 28 HH12 ARG 28 19.279 5.632 -4.496 201 HH21 ARG 28 HH21 ARG 28 16.928 4.112 -2.406 202 HH22 ARG 28 HH22 ARG 28 18.378 5.060 -2.484 203 H THR 29 HN THR 29 10.139 3.703 -6.935 204 HA THR 29 HA THR 29 10.443 1.051 -5.645 205 HB THR 29 HB THR 29 7.894 2.732 -5.808 206 HG1 THR 29 HG1 THR 29 9.940 3.043 -4.178 207 HG21 THR 29 HG21 THR 29 7.457 0.292 -5.683 208 HG22 THR 29 HG22 THR 29 6.975 1.108 -4.194 209 HG23 THR 29 HG23 THR 29 8.478 0.185 -4.243 210 H PHE 30 HN PHE 30 9.623 -0.696 -6.755 211 HA PHE 30 HA PHE 30 8.912 -0.266 -9.589 212 HB2 PHE 30 HB2 PHE 30 10.942 -1.615 -9.238 213 HB3 PHE 30 HB1 PHE 30 10.080 -2.707 -8.163 214 HD1 PHE 30 HD1 PHE 30 8.985 -4.629 -9.056 215 HD2 PHE 30 HD2 PHE 30 10.179 -1.497 -11.706 216 HE1 PHE 30 HE1 PHE 30 8.402 -6.033 -10.986 217 HE2 PHE 30 HE2 PHE 30 9.593 -2.903 -13.631 218 HZ PHE 30 HZ PHE 30 8.708 -5.174 -13.277 219 H ARG 31 HN ARG 31 6.862 -0.415 -9.986 220 HA ARG 31 HA ARG 31 5.354 -2.758 -9.577 221 HB2 ARG 31 HB2 ARG 31 5.105 -1.372 -7.300 222 HB3 ARG 31 HB1 ARG 31 3.985 -0.390 -8.237 223 HG2 ARG 31 HG2 ARG 31 2.601 -2.383 -8.684 224 HG3 ARG 31 HG1 ARG 31 3.740 -3.390 -7.785 225 HD2 ARG 31 HD2 ARG 31 3.248 -1.986 -5.745 226 HD3 ARG 31 HD1 ARG 31 1.999 -1.156 -6.681 227 HE ARG 31 HE ARG 31 1.980 -4.036 -5.975 228 HH11 ARG 31 HH11 ARG 31 0.159 -1.143 -6.811 229 HH12 ARG 31 HH12 ARG 31 -1.370 -1.858 -6.434 230 HH21 ARG 31 HH21 ARG 31 -0.022 -4.941 -5.471 231 HH22 ARG 31 HH22 ARG 31 -1.473 -4.014 -5.670 232 H SER 32 HN SER 32 3.022 -2.314 -10.506 233 HA SER 32 HA SER 32 1.671 -1.680 -12.176 234 HB2 SER 32 HB2 SER 32 3.340 0.867 -12.360 235 HB3 SER 32 HB1 SER 32 1.788 0.598 -13.160 236 HG SER 32 HG SER 32 2.312 0.735 -10.377 237 H ASN 33 HN ASN 33 1.643 -2.685 -14.066 238 HA ASN 33 HA ASN 33 4.080 -2.872 -15.741 239 HB2 ASN 33 HB2 ASN 33 3.159 -4.973 -16.592 240 HB3 ASN 33 HB1 ASN 33 3.180 -5.015 -14.832 241 HD21 ASN 33 HD21 ASN 33 1.148 -4.814 -17.664 242 HD22 ASN 33 HD22 ASN 33 -0.341 -5.152 -16.868 243 H ALA 34 HN ALA 34 1.471 -1.011 -15.586 244 HA ALA 34 HA ALA 34 1.269 -0.666 -18.522 245 HB1 ALA 34 HB1 ALA 34 -1.119 -0.046 -18.226 246 HB2 ALA 34 HB2 ALA 34 -1.014 -0.428 -16.503 247 HB3 ALA 34 HB3 ALA 34 -0.821 -1.706 -17.705 248 H MET 35 HN MET 35 1.983 1.329 -19.063 249 HA MET 35 HA MET 35 1.622 3.611 -17.226 250 HB2 MET 35 HB2 MET 35 4.307 2.694 -18.358 251 HB3 MET 35 HB1 MET 35 4.043 4.342 -17.800 252 HG2 MET 35 HG2 MET 35 3.525 3.508 -15.544 253 HG3 MET 35 HG1 MET 35 3.772 1.851 -16.097 254 HE1 MET 35 HE1 MET 35 5.415 1.784 -13.840 255 HE2 MET 35 HE2 MET 35 5.227 3.522 -13.591 256 HE3 MET 35 HE3 MET 35 6.840 2.814 -13.687 257 H GLY 36 HN GLY 36 1.705 5.664 -18.253 258 HA2 GLY 36 HA2 GLY 36 1.837 5.857 -21.150 259 HA3 GLY 36 HA1 GLY 36 0.216 6.008 -20.483 260 H TRP 37 HN TRP 37 1.035 8.087 -21.855 261 HA TRP 37 HA TRP 37 1.398 10.199 -19.842 262 HB2 TRP 37 HB2 TRP 37 2.862 10.027 -22.522 263 HB3 TRP 37 HB1 TRP 37 2.723 11.517 -21.596 264 HD1 TRP 37 HD1 TRP 37 4.516 8.122 -21.530 265 HE1 TRP 37 HE1 TRP 37 6.481 8.270 -19.900 266 HE3 TRP 37 HE3 TRP 37 3.539 12.707 -19.443 267 HZ2 TRP 37 HZ2 TRP 37 7.494 10.041 -17.956 268 HZ3 TRP 37 HZ3 TRP 37 5.060 13.549 -17.690 269 HH2 TRP 37 HH2 TRP 37 7.001 12.240 -16.962 270 H PHE 38 HN PHE 38 -0.080 11.745 -20.063 271 HA PHE 38 HA PHE 38 -1.611 12.108 -22.554 272 HB2 PHE 38 HB2 PHE 38 -2.822 11.946 -19.740 273 HB3 PHE 38 HB1 PHE 38 -3.707 12.320 -21.213 274 HD1 PHE 38 HD1 PHE 38 -2.146 9.636 -19.224 275 HD2 PHE 38 HD2 PHE 38 -4.265 10.548 -22.829 276 HE1 PHE 38 HE1 PHE 38 -2.603 7.244 -19.563 277 HE2 PHE 38 HE2 PHE 38 -4.713 8.155 -23.159 278 HZ PHE 38 HZ PHE 38 -3.883 6.499 -21.534 279 H ARG 39 HN ARG 39 -1.955 14.271 -23.023 280 HA ARG 39 HA ARG 39 -0.952 16.270 -21.075 281 HB2 ARG 39 HB2 ARG 39 -0.434 17.725 -22.886 282 HB3 ARG 39 HB1 ARG 39 0.134 16.145 -23.365 283 HG2 ARG 39 HG2 ARG 39 -0.795 16.800 -25.365 284 HG3 ARG 39 HG1 ARG 39 -2.226 16.061 -24.643 285 HD2 ARG 39 HD2 ARG 39 -2.875 18.375 -23.808 286 HD3 ARG 39 HD1 ARG 39 -1.542 19.021 -24.765 287 HE ARG 39 HE ARG 39 -2.675 18.381 -26.751 288 HH11 ARG 39 HH11 ARG 39 -4.648 17.818 -23.891 289 HH12 ARG 39 HH12 ARG 39 -6.145 17.888 -24.769 290 HH21 ARG 39 HH21 ARG 39 -4.641 18.461 -27.875 291 HH22 ARG 39 HH22 ARG 39 -6.137 18.247 -27.016 292 H GLN 40 HN GLN 40 -2.319 17.702 -20.216 293 HA GLN 40 HA GLN 40 -5.076 17.962 -21.244 294 HB2 GLN 40 HB2 GLN 40 -4.974 16.278 -19.377 295 HB3 GLN 40 HB1 GLN 40 -4.290 17.508 -18.322 296 HG2 GLN 40 HG2 GLN 40 -6.357 18.799 -18.419 297 HG3 GLN 40 HG1 GLN 40 -7.042 17.686 -19.605 298 HE21 GLN 40 HE21 GLN 40 -8.802 17.162 -18.317 299 HE22 GLN 40 HE22 GLN 40 -8.675 16.225 -16.873 300 H ALA 41 HN ALA 41 -5.957 20.018 -20.949 301 HA ALA 41 HA ALA 41 -4.162 22.121 -19.842 302 HB1 ALA 41 HB1 ALA 41 -6.163 22.332 -22.125 303 HB2 ALA 41 HB2 ALA 41 -4.410 22.259 -22.295 304 HB3 ALA 41 HB3 ALA 41 -5.161 23.649 -21.508 305 HA PRO 42 HA PRO 42 -7.263 23.470 -16.851 306 HB2 PRO 42 HB2 PRO 42 -7.204 26.171 -18.217 307 HB3 PRO 42 HB1 PRO 42 -7.101 25.781 -16.491 308 HG2 PRO 42 HG2 PRO 42 -4.890 26.392 -17.822 309 HG3 PRO 42 HG1 PRO 42 -4.879 25.065 -16.642 310 HD2 PRO 42 HD2 PRO 42 -4.911 24.917 -19.652 311 HD3 PRO 42 HD1 PRO 42 -4.078 23.879 -18.473 312 H GLY 43 HN GLY 43 -9.138 22.403 -17.279 313 HA2 GLY 43 HA2 GLY 43 -11.409 22.295 -17.698 314 HA3 GLY 43 HA1 GLY 43 -11.319 23.835 -18.532 315 H LYS 44 HN LYS 44 -9.184 21.228 -19.446 316 HA LYS 44 HA LYS 44 -10.760 20.682 -21.902 317 HB2 LYS 44 HB2 LYS 44 -7.747 21.121 -21.692 318 HB3 LYS 44 HB1 LYS 44 -8.568 20.560 -23.140 319 HG2 LYS 44 HG2 LYS 44 -9.290 23.232 -21.902 320 HG3 LYS 44 HG1 LYS 44 -7.878 23.074 -22.940 321 HD2 LYS 44 HD2 LYS 44 -9.659 23.859 -24.331 322 HD3 LYS 44 HD1 LYS 44 -9.409 22.169 -24.750 323 HE2 LYS 44 HE2 LYS 44 -11.388 21.552 -23.398 324 HE3 LYS 44 HE1 LYS 44 -11.631 23.247 -22.972 325 HZ1 LYS 44 HZ1 LYS 44 -11.741 22.110 -25.705 326 HZ2 LYS 44 HZ2 LYS 44 -11.983 23.733 -25.303 327 HZ3 LYS 44 HZ3 LYS 44 -13.068 22.556 -24.762 328 H GLU 45 HN GLU 45 -9.758 18.717 -23.062 329 HA GLU 45 HA GLU 45 -9.899 16.478 -21.212 330 HB2 GLU 45 HB2 GLU 45 -10.293 15.115 -23.122 331 HB3 GLU 45 HB1 GLU 45 -11.143 16.614 -23.451 332 HG2 GLU 45 HG2 GLU 45 -8.506 15.709 -24.664 333 HG3 GLU 45 HG1 GLU 45 -10.065 15.768 -25.477 334 H ARG 46 HN ARG 46 -8.440 14.590 -21.589 335 HA ARG 46 HA ARG 46 -5.630 15.410 -21.876 336 HB2 ARG 46 HB2 ARG 46 -5.041 13.295 -20.691 337 HB3 ARG 46 HB1 ARG 46 -5.973 14.412 -19.715 338 HG2 ARG 46 HG2 ARG 46 -7.331 12.118 -21.136 339 HG3 ARG 46 HG1 ARG 46 -6.488 11.855 -19.611 340 HD2 ARG 46 HD2 ARG 46 -7.949 13.434 -18.472 341 HD3 ARG 46 HD1 ARG 46 -8.735 13.866 -19.993 342 HE ARG 46 HE ARG 46 -9.535 11.528 -20.100 343 HH11 ARG 46 HH11 ARG 46 -8.631 12.779 -16.925 344 HH12 ARG 46 HH12 ARG 46 -9.691 11.693 -16.085 345 HH21 ARG 46 HH21 ARG 46 -10.906 10.139 -18.970 346 HH22 ARG 46 HH22 ARG 46 -10.971 10.199 -17.242 347 H GLU 47 HN GLU 47 -4.700 14.963 -23.712 348 HA GLU 47 HA GLU 47 -5.822 13.047 -25.624 349 HB2 GLU 47 HB2 GLU 47 -5.326 15.323 -26.433 350 HB3 GLU 47 HB1 GLU 47 -3.663 15.191 -25.881 351 HG2 GLU 47 HG2 GLU 47 -3.763 14.957 -28.299 352 HG3 GLU 47 HG1 GLU 47 -3.230 13.445 -27.569 353 H PHE 48 HN PHE 48 -4.728 11.241 -26.316 354 HA PHE 48 HA PHE 48 -2.721 10.059 -24.681 355 HB2 PHE 48 HB2 PHE 48 -4.374 8.674 -25.868 356 HB3 PHE 48 HB1 PHE 48 -3.759 9.214 -27.426 357 HD1 PHE 48 HD1 PHE 48 -2.845 7.265 -24.362 358 HD2 PHE 48 HD2 PHE 48 -1.895 8.075 -28.459 359 HE1 PHE 48 HE1 PHE 48 -1.245 5.397 -24.369 360 HE2 PHE 48 HE2 PHE 48 -0.300 6.203 -28.453 361 HZ PHE 48 HZ PHE 48 0.027 4.864 -26.411 362 H VAL 49 HN VAL 49 -0.723 10.782 -24.642 363 HA VAL 49 HA VAL 49 0.621 11.899 -26.985 364 HB VAL 49 HB VAL 49 1.610 11.570 -24.111 365 HG11 VAL 49 HG11 VAL 49 2.810 13.205 -26.388 366 HG12 VAL 49 HG12 VAL 49 3.504 11.742 -25.681 367 HG13 VAL 49 HG13 VAL 49 3.372 13.211 -24.713 368 HG21 VAL 49 HG21 VAL 49 1.115 13.972 -23.834 369 HG22 VAL 49 HG22 VAL 49 -0.348 13.069 -24.234 370 HG23 VAL 49 HG23 VAL 49 0.458 14.036 -25.472 371 H ALA 50 HN ALA 50 1.175 9.305 -24.566 372 HA ALA 50 HA ALA 50 2.488 7.565 -26.448 373 HB1 ALA 50 HB1 ALA 50 4.725 7.651 -25.409 374 HB2 ALA 50 HB2 ALA 50 4.195 8.959 -24.350 375 HB3 ALA 50 HB3 ALA 50 4.281 9.211 -26.096 376 H ALA 51 HN ALA 51 3.584 5.633 -25.192 377 HA ALA 51 HA ALA 51 2.713 5.123 -22.507 378 HB1 ALA 51 HB1 ALA 51 0.568 4.732 -23.670 379 HB2 ALA 51 HB2 ALA 51 1.183 3.261 -22.917 380 HB3 ALA 51 HB3 ALA 51 1.332 3.489 -24.662 381 H ILE 52 HN ILE 52 3.194 2.973 -21.739 382 HA ILE 52 HA ILE 52 5.459 1.584 -23.024 383 HB ILE 52 HB ILE 52 5.229 2.301 -20.051 384 HG12 ILE 52 HG12 ILE 52 7.098 3.428 -22.183 385 HG13 ILE 52 HG11 ILE 52 5.809 4.297 -21.364 386 HG21 ILE 52 HG21 ILE 52 7.485 0.850 -21.494 387 HG22 ILE 52 HG22 ILE 52 6.337 0.121 -20.369 388 HG23 ILE 52 HG23 ILE 52 7.490 1.323 -19.793 389 HD11 ILE 52 HD11 ILE 52 8.357 3.276 -20.126 390 HD12 ILE 52 HD12 ILE 52 7.055 4.084 -19.249 391 HD13 ILE 52 HD13 ILE 52 7.947 4.949 -20.500 392 H ARG 53 HN ARG 53 5.083 -0.561 -23.150 393 HA ARG 53 HA ARG 53 2.943 -1.805 -21.553 394 HB2 ARG 53 HB2 ARG 53 3.128 -3.707 -23.197 395 HB3 ARG 53 HB1 ARG 53 2.646 -2.168 -23.903 396 HG2 ARG 53 HG2 ARG 53 4.976 -1.828 -24.715 397 HG3 ARG 53 HG1 ARG 53 5.412 -3.412 -24.063 398 HD2 ARG 53 HD2 ARG 53 3.848 -4.505 -25.588 399 HD3 ARG 53 HD1 ARG 53 3.278 -2.937 -26.169 400 HE ARG 53 HE ARG 53 6.108 -3.652 -26.513 401 HH11 ARG 53 HH11 ARG 53 2.986 -3.003 -28.003 402 HH12 ARG 53 HH12 ARG 53 3.635 -2.935 -29.611 403 HH21 ARG 53 HH21 ARG 53 6.944 -3.546 -28.614 404 HH22 ARG 53 HH22 ARG 53 5.884 -3.258 -29.956 405 H TRP 54 HN TRP 54 3.398 -2.984 -19.891 406 HA TRP 54 HA TRP 54 4.368 -4.104 -18.237 407 HB2 TRP 54 HB2 TRP 54 4.498 -5.893 -19.976 408 HB3 TRP 54 HB1 TRP 54 6.118 -5.354 -20.400 409 HD1 TRP 54 HD1 TRP 54 4.325 -6.558 -17.134 410 HE1 TRP 54 HE1 TRP 54 5.948 -8.078 -15.853 411 HE3 TRP 54 HE3 TRP 54 8.369 -6.299 -20.275 412 HZ2 TRP 54 HZ2 TRP 54 8.572 -9.051 -16.113 413 HZ3 TRP 54 HZ3 TRP 54 10.402 -7.560 -19.679 414 HH2 TRP 54 HH2 TRP 54 10.500 -8.908 -17.638 415 H SER 55 HN SER 55 7.441 -4.056 -19.979 416 HA SER 55 HA SER 55 8.533 -1.669 -18.934 417 HB2 SER 55 HB2 SER 55 8.538 -2.973 -16.779 418 HB3 SER 55 HB1 SER 55 9.504 -4.228 -17.553 419 HG SER 55 HG SER 55 11.230 -3.029 -17.338 420 H GLY 56 HN GLY 56 10.259 -1.173 -20.243 421 HA2 GLY 56 HA2 GLY 56 12.051 -1.521 -21.717 422 HA3 GLY 56 HA1 GLY 56 11.694 -3.243 -21.750 423 H GLY 57 HN GLY 57 8.747 -2.442 -22.243 424 HA2 GLY 57 HA2 GLY 57 8.901 -2.134 -25.167 425 HA3 GLY 57 HA1 GLY 57 7.483 -2.565 -24.213 426 H SER 58 HN SER 58 9.774 0.154 -24.118 427 HA SER 58 HA SER 58 7.644 2.005 -23.434 428 HB2 SER 58 HB2 SER 58 10.631 2.489 -23.755 429 HB3 SER 58 HB1 SER 58 9.477 3.564 -22.961 430 HG SER 58 HG SER 58 10.677 1.249 -22.046 431 H THR 59 HN THR 59 6.604 1.661 -25.592 432 HA THR 59 HA THR 59 7.221 3.778 -27.452 433 HB THR 59 HB THR 59 7.152 2.108 -29.477 434 HG1 THR 59 HG1 THR 59 6.860 0.338 -27.699 435 HG21 THR 59 HG21 THR 59 9.578 1.795 -29.573 436 HG22 THR 59 HG22 THR 59 9.720 2.152 -27.849 437 HG23 THR 59 HG23 THR 59 9.193 3.410 -28.970 438 H TYR 60 HN TYR 60 5.253 4.567 -27.655 439 HA TYR 60 HA TYR 60 3.278 3.284 -29.221 440 HB2 TYR 60 HB2 TYR 60 2.571 3.783 -26.291 441 HB3 TYR 60 HB1 TYR 60 1.334 3.898 -27.532 442 HD1 TYR 60 HD1 TYR 60 2.309 1.762 -25.058 443 HD2 TYR 60 HD2 TYR 60 1.692 1.680 -29.294 444 HE1 TYR 60 HE1 TYR 60 1.942 -0.666 -24.965 445 HE2 TYR 60 HE2 TYR 60 1.322 -0.746 -29.186 446 HH TYR 60 HH TYR 60 0.754 -2.406 -26.328 447 H TYR 61 HN TYR 61 2.750 4.933 -30.546 448 HA TYR 61 HA TYR 61 2.261 7.620 -29.621 449 HB2 TYR 61 HB2 TYR 61 4.128 8.582 -31.191 450 HB3 TYR 61 HB1 TYR 61 4.609 7.958 -29.620 451 HD1 TYR 61 HD1 TYR 61 6.227 6.186 -29.450 452 HD2 TYR 61 HD2 TYR 61 4.496 7.056 -33.264 453 HE1 TYR 61 HE1 TYR 61 7.814 4.640 -30.523 454 HE2 TYR 61 HE2 TYR 61 6.082 5.519 -34.332 455 HH TYR 61 HH TYR 61 8.280 4.546 -33.910 456 H ALA 62 HN ALA 62 1.298 8.929 -31.158 457 HA ALA 62 HA ALA 62 0.036 7.711 -33.438 458 HB1 ALA 62 HB1 ALA 62 -1.114 9.445 -32.095 459 HB2 ALA 62 HB2 ALA 62 -0.980 9.934 -33.785 460 HB3 ALA 62 HB3 ALA 62 0.103 10.631 -32.577 461 H ASP 63 HN ASP 63 0.246 8.539 -35.662 462 HA ASP 63 HA ASP 63 2.874 8.732 -36.667 463 HB2 ASP 63 HB2 ASP 63 0.936 7.955 -38.013 464 HB3 ASP 63 HB1 ASP 63 0.251 9.574 -37.977 465 H SER 64 HN SER 64 0.561 11.167 -35.695 466 HA SER 64 HA SER 64 1.671 13.515 -36.743 467 HB2 SER 64 HB2 SER 64 0.162 13.160 -34.123 468 HB3 SER 64 HB1 SER 64 0.301 14.656 -35.050 469 HG SER 64 HG SER 64 -0.636 12.885 -36.732 470 H VAL 65 HN VAL 65 2.457 11.692 -33.803 471 HA VAL 65 HA VAL 65 4.464 13.723 -32.986 472 HB VAL 65 HB VAL 65 4.279 12.834 -30.697 473 HG11 VAL 65 HG11 VAL 65 1.567 13.571 -31.867 474 HG12 VAL 65 HG12 VAL 65 2.810 14.697 -31.317 475 HG13 VAL 65 HG13 VAL 65 1.999 13.647 -30.154 476 HG21 VAL 65 HG21 VAL 65 2.138 10.956 -31.780 477 HG22 VAL 65 HG22 VAL 65 2.529 11.181 -30.071 478 HG23 VAL 65 HG23 VAL 65 3.725 10.488 -31.164 479 H LYS 66 HN LYS 66 4.397 10.977 -34.686 480 HA LYS 66 HA LYS 66 6.343 9.251 -33.552 481 HB2 LYS 66 HB2 LYS 66 4.767 8.504 -35.287 482 HB3 LYS 66 HB1 LYS 66 5.451 9.644 -36.440 483 HG2 LYS 66 HG2 LYS 66 7.627 8.376 -36.307 484 HG3 LYS 66 HG1 LYS 66 6.816 7.188 -35.285 485 HD2 LYS 66 HD2 LYS 66 6.888 6.391 -37.599 486 HD3 LYS 66 HD1 LYS 66 5.215 6.710 -37.128 487 HE2 LYS 66 HE2 LYS 66 5.343 8.917 -38.301 488 HE3 LYS 66 HE1 LYS 66 6.987 8.530 -38.816 489 HZ1 LYS 66 HZ1 LYS 66 4.489 7.128 -39.578 490 HZ2 LYS 66 HZ2 LYS 66 6.037 6.573 -39.970 491 HZ3 LYS 66 HZ3 LYS 66 5.495 8.053 -40.576 492 H GLY 67 HN GLY 67 8.373 9.900 -33.121 493 HA2 GLY 67 HA2 GLY 67 10.603 10.078 -33.965 494 HA3 GLY 67 HA1 GLY 67 10.029 11.095 -35.276 495 H ARG 68 HN ARG 68 8.333 12.464 -33.040 496 HA ARG 68 HA ARG 68 10.432 14.319 -32.096 497 HB2 ARG 68 HB2 ARG 68 7.420 14.653 -32.344 498 HB3 ARG 68 HB1 ARG 68 8.482 15.849 -31.607 499 HG2 ARG 68 HG2 ARG 68 9.664 16.120 -33.781 500 HG3 ARG 68 HG1 ARG 68 8.552 14.950 -34.510 501 HD2 ARG 68 HD2 ARG 68 7.817 17.650 -33.309 502 HD3 ARG 68 HD1 ARG 68 7.807 17.222 -35.023 503 HE ARG 68 HE ARG 68 6.088 15.444 -34.172 504 HH11 ARG 68 HH11 ARG 68 6.235 18.799 -33.106 505 HH12 ARG 68 HH12 ARG 68 4.538 18.866 -32.764 506 HH21 ARG 68 HH21 ARG 68 3.903 15.564 -33.685 507 HH22 ARG 68 HH22 ARG 68 3.226 17.042 -33.089 508 H PHE 69 HN PHE 69 7.724 12.325 -31.024 509 HA PHE 69 HA PHE 69 8.356 12.866 -28.182 510 HB2 PHE 69 HB2 PHE 69 5.774 11.923 -29.504 511 HB3 PHE 69 HB1 PHE 69 6.016 11.951 -27.762 512 HD1 PHE 69 HD1 PHE 69 5.215 13.834 -26.599 513 HD2 PHE 69 HD2 PHE 69 6.295 14.285 -30.710 514 HE1 PHE 69 HE1 PHE 69 4.434 16.164 -26.561 515 HE2 PHE 69 HE2 PHE 69 5.524 16.613 -30.660 516 HZ PHE 69 HZ PHE 69 4.591 17.557 -28.585 517 H THR 70 HN THR 70 9.319 11.292 -27.100 518 HA THR 70 HA THR 70 8.936 8.450 -27.773 519 HB THR 70 HB THR 70 11.697 9.689 -27.300 520 HG1 THR 70 HG1 THR 70 10.728 10.248 -29.365 521 HG21 THR 70 HG21 THR 70 11.545 7.307 -26.613 522 HG22 THR 70 HG22 THR 70 12.580 7.499 -28.030 523 HG23 THR 70 HG23 THR 70 10.935 6.885 -28.217 524 H ILE 71 HN ILE 71 9.350 7.050 -25.958 525 HA ILE 71 HA ILE 71 9.658 8.347 -23.324 526 HB ILE 71 HB ILE 71 8.037 6.737 -22.320 527 HG12 ILE 71 HG12 ILE 71 8.044 4.998 -24.140 528 HG13 ILE 71 HG11 ILE 71 6.437 5.457 -23.611 529 HG21 ILE 71 HG21 ILE 71 5.988 7.906 -23.024 530 HG22 ILE 71 HG22 ILE 71 6.864 8.596 -24.394 531 HG23 ILE 71 HG23 ILE 71 7.342 9.002 -22.743 532 HD11 ILE 71 HD11 ILE 71 6.277 6.887 -25.664 533 HD12 ILE 71 HD12 ILE 71 6.394 5.155 -25.948 534 HD13 ILE 71 HD13 ILE 71 7.806 6.180 -26.188 535 H SER 72 HN SER 72 10.439 6.983 -21.653 536 HA SER 72 HA SER 72 11.566 4.383 -22.297 537 HB2 SER 72 HB2 SER 72 13.315 5.961 -23.132 538 HB3 SER 72 HB1 SER 72 13.389 6.722 -21.545 539 HG SER 72 HG SER 72 14.243 4.147 -22.335 540 H ARG 73 HN ARG 73 11.544 3.130 -20.479 541 HA ARG 73 HA ARG 73 11.273 4.451 -17.828 542 HB2 ARG 73 HB2 ARG 73 9.344 3.022 -18.417 543 HB3 ARG 73 HB1 ARG 73 10.412 1.664 -18.736 544 HG2 ARG 73 HG2 ARG 73 11.053 1.637 -16.313 545 HG3 ARG 73 HG1 ARG 73 9.914 2.957 -16.027 546 HD2 ARG 73 HD2 ARG 73 8.051 1.504 -16.779 547 HD3 ARG 73 HD1 ARG 73 9.194 0.184 -17.056 548 HE ARG 73 HE ARG 73 9.495 0.995 -14.404 549 HH11 ARG 73 HH11 ARG 73 7.014 -0.572 -16.363 550 HH12 ARG 73 HH12 ARG 73 6.243 -1.308 -15.000 551 HH21 ARG 73 HH21 ARG 73 8.472 0.005 -12.640 552 HH22 ARG 73 HH22 ARG 73 7.069 -0.985 -12.892 553 H ASP 74 HN ASP 74 13.139 4.416 -16.701 554 HA ASP 74 HA ASP 74 15.164 2.346 -17.129 555 HB2 ASP 74 HB2 ASP 74 15.158 4.846 -15.380 556 HB3 ASP 74 HB1 ASP 74 16.489 3.694 -15.427 557 H ASN 75 HN ASN 75 14.606 0.471 -16.187 558 HA ASN 75 HA ASN 75 12.943 0.118 -13.923 559 HB2 ASN 75 HB2 ASN 75 13.397 -1.630 -15.679 560 HB3 ASN 75 HB1 ASN 75 15.036 -1.797 -15.061 561 HD21 ASN 75 HD21 ASN 75 14.864 -3.937 -14.438 562 HD22 ASN 75 HD22 ASN 75 13.809 -4.504 -13.194 563 H ALA 76 HN ALA 76 16.363 0.693 -14.261 564 HA ALA 76 HA ALA 76 17.543 -0.227 -11.960 565 HB1 ALA 76 HB1 ALA 76 18.148 2.383 -13.397 566 HB2 ALA 76 HB2 ALA 76 18.761 0.788 -13.840 567 HB3 ALA 76 HB3 ALA 76 19.244 1.522 -12.310 568 H LYS 77 HN LYS 77 16.075 3.034 -12.374 569 HA LYS 77 HA LYS 77 15.765 3.199 -9.428 570 HB2 LYS 77 HB2 LYS 77 16.032 5.661 -9.569 571 HB3 LYS 77 HB1 LYS 77 17.488 4.775 -9.975 572 HG2 LYS 77 HG2 LYS 77 15.641 5.941 -12.077 573 HG3 LYS 77 HG1 LYS 77 16.953 6.858 -11.334 574 HD2 LYS 77 HD2 LYS 77 18.474 4.863 -12.126 575 HD3 LYS 77 HD1 LYS 77 17.117 4.468 -13.189 576 HE2 LYS 77 HE2 LYS 77 18.700 7.065 -13.138 577 HE3 LYS 77 HE1 LYS 77 18.726 5.839 -14.404 578 HZ1 LYS 77 HZ1 LYS 77 16.430 6.358 -14.918 579 HZ2 LYS 77 HZ2 LYS 77 17.374 7.754 -15.005 580 HZ3 LYS 77 HZ3 LYS 77 16.366 7.499 -13.673 581 H ASN 78 HN ASN 78 13.999 2.478 -11.877 582 HA ASN 78 HA ASN 78 11.953 2.814 -12.744 583 HB2 ASN 78 HB2 ASN 78 11.536 2.727 -9.765 584 HB3 ASN 78 HB1 ASN 78 10.142 3.035 -10.799 585 HD21 ASN 78 HD21 ASN 78 12.606 0.704 -9.938 586 HD22 ASN 78 HD22 ASN 78 11.854 -0.655 -10.690 587 H THR 79 HN THR 79 12.807 4.798 -13.652 588 HA THR 79 HA THR 79 10.992 7.045 -13.006 589 HB THR 79 HB THR 79 13.913 7.337 -13.873 590 HG1 THR 79 HG1 THR 79 12.756 7.114 -11.410 591 HG21 THR 79 HG21 THR 79 11.875 9.455 -13.083 592 HG22 THR 79 HG22 THR 79 12.491 9.185 -14.718 593 HG23 THR 79 HG23 THR 79 13.576 9.751 -13.443 594 H VAL 80 HN VAL 80 9.888 7.754 -14.731 595 HA VAL 80 HA VAL 80 10.358 6.546 -17.374 596 HB VAL 80 HB VAL 80 7.778 7.664 -16.183 597 HG11 VAL 80 HG11 VAL 80 7.782 7.900 -18.625 598 HG12 VAL 80 HG12 VAL 80 6.660 6.624 -18.149 599 HG13 VAL 80 HG13 VAL 80 8.240 6.205 -18.808 600 HG21 VAL 80 HG21 VAL 80 8.448 5.585 -15.045 601 HG22 VAL 80 HG22 VAL 80 8.611 4.769 -16.603 602 HG23 VAL 80 HG23 VAL 80 7.023 5.308 -16.052 603 H TYR 81 HN TYR 81 10.818 7.853 -19.017 604 HA TYR 81 HA TYR 81 10.779 10.786 -18.649 605 HB2 TYR 81 HB2 TYR 81 12.610 9.083 -20.406 606 HB3 TYR 81 HB1 TYR 81 12.681 10.837 -20.257 607 HD1 TYR 81 HD1 TYR 81 13.184 7.653 -18.398 608 HD2 TYR 81 HD2 TYR 81 13.867 11.875 -18.415 609 HE1 TYR 81 HE1 TYR 81 14.688 7.414 -16.481 610 HE2 TYR 81 HE2 TYR 81 15.381 11.633 -16.490 611 HH TYR 81 HH TYR 81 15.793 10.074 -14.647 612 H LEU 82 HN LEU 82 10.115 12.097 -20.366 613 HA LEU 82 HA LEU 82 9.060 10.825 -22.822 614 HB2 LEU 82 HB2 LEU 82 7.116 11.343 -21.439 615 HB3 LEU 82 HB1 LEU 82 7.711 12.961 -21.122 616 HG LEU 82 HG LEU 82 7.343 13.565 -23.511 617 HD11 LEU 82 HD11 LEU 82 7.598 11.372 -24.563 618 HD12 LEU 82 HD12 LEU 82 6.073 12.129 -25.015 619 HD13 LEU 82 HD13 LEU 82 6.090 10.828 -23.820 620 HD21 LEU 82 HD21 LEU 82 4.882 12.467 -22.128 621 HD22 LEU 82 HD22 LEU 82 4.893 13.662 -23.430 622 HD23 LEU 82 HD23 LEU 82 5.609 14.055 -21.868 623 H GLN 83 HN GLN 83 10.742 11.433 -24.106 624 HA GLN 83 HA GLN 83 11.812 14.133 -24.114 625 HB2 GLN 83 HB2 GLN 83 13.313 12.203 -24.538 626 HB3 GLN 83 HB1 GLN 83 12.381 11.771 -25.965 627 HG2 GLN 83 HG2 GLN 83 14.477 12.912 -26.560 628 HG3 GLN 83 HG1 GLN 83 13.073 13.837 -27.086 629 HE21 GLN 83 HE21 GLN 83 12.645 15.848 -26.116 630 HE22 GLN 83 HE22 GLN 83 13.792 16.652 -25.105 631 H MET 84 HN MET 84 10.340 15.573 -24.805 632 HA MET 84 HA MET 84 8.838 15.172 -27.302 633 HB2 MET 84 HB2 MET 84 8.770 17.579 -25.423 634 HB3 MET 84 HB1 MET 84 7.604 17.163 -26.674 635 HG2 MET 84 HG2 MET 84 7.053 15.097 -25.318 636 HG3 MET 84 HG1 MET 84 8.042 15.781 -24.025 637 HE1 MET 84 HE1 MET 84 5.954 19.171 -23.373 638 HE2 MET 84 HE2 MET 84 7.235 19.022 -24.576 639 HE3 MET 84 HE3 MET 84 7.446 18.326 -22.967 640 H ASN 85 HN ASN 85 9.433 16.175 -29.184 641 HA ASN 85 HA ASN 85 11.571 18.236 -29.145 642 HB2 ASN 85 HB2 ASN 85 11.366 15.888 -31.084 643 HB3 ASN 85 HB1 ASN 85 12.515 17.214 -31.227 644 HD21 ASN 85 HD21 ASN 85 13.045 14.367 -30.981 645 HD22 ASN 85 HD22 ASN 85 14.026 14.183 -29.573 646 H SER 86 HN SER 86 11.461 19.786 -30.775 647 HA SER 86 HA SER 86 10.428 21.352 -32.040 648 HB2 SER 86 HB2 SER 86 11.151 19.648 -33.741 649 HB3 SER 86 HB1 SER 86 9.538 18.944 -33.686 650 HG SER 86 HG SER 86 9.924 20.482 -35.409 651 H LEU 87 HN LEU 87 9.023 21.772 -30.242 652 HA LEU 87 HA LEU 87 6.408 20.571 -30.063 653 HB2 LEU 87 HB2 LEU 87 7.920 22.620 -28.406 654 HB3 LEU 87 HB1 LEU 87 6.252 22.183 -28.051 655 HG LEU 87 HG LEU 87 8.523 20.150 -28.131 656 HD11 LEU 87 HD11 LEU 87 7.346 21.497 -25.681 657 HD12 LEU 87 HD12 LEU 87 8.971 21.741 -26.330 658 HD13 LEU 87 HD13 LEU 87 8.510 20.166 -25.691 659 HD21 LEU 87 HD21 LEU 87 5.674 19.959 -27.086 660 HD22 LEU 87 HD22 LEU 87 6.906 18.705 -26.951 661 HD23 LEU 87 HD23 LEU 87 6.320 19.183 -28.537 662 H LYS 88 HN LYS 88 4.463 21.801 -29.931 663 HA LYS 88 HA LYS 88 4.335 24.097 -31.788 664 HB2 LYS 88 HB2 LYS 88 2.104 22.287 -30.759 665 HB3 LYS 88 HB1 LYS 88 1.970 23.477 -32.050 666 HG2 LYS 88 HG2 LYS 88 3.678 20.960 -32.166 667 HG3 LYS 88 HG1 LYS 88 2.064 21.121 -32.859 668 HD2 LYS 88 HD2 LYS 88 4.499 22.755 -33.686 669 HD3 LYS 88 HD1 LYS 88 3.863 21.360 -34.560 670 HE2 LYS 88 HE2 LYS 88 1.681 22.644 -34.808 671 HE3 LYS 88 HE1 LYS 88 2.521 24.050 -34.148 672 HZ1 LYS 88 HZ1 LYS 88 3.170 22.591 -36.639 673 HZ2 LYS 88 HZ2 LYS 88 4.120 23.833 -35.987 674 HZ3 LYS 88 HZ3 LYS 88 2.541 24.153 -36.505 675 HA PRO 89 HA PRO 89 3.476 26.891 -28.384 676 HB2 PRO 89 HB2 PRO 89 1.511 28.537 -29.503 677 HB3 PRO 89 HB1 PRO 89 3.247 28.697 -29.801 678 HG2 PRO 89 HG2 PRO 89 1.157 27.305 -31.469 679 HG3 PRO 89 HG1 PRO 89 2.471 28.382 -31.991 680 HD2 PRO 89 HD2 PRO 89 2.715 25.727 -32.243 681 HD3 PRO 89 HD1 PRO 89 4.111 26.709 -31.744 682 H GLU 90 HN GLU 90 0.875 25.084 -29.836 683 HA GLU 90 HA GLU 90 -1.214 25.588 -27.964 684 HB2 GLU 90 HB2 GLU 90 -2.335 23.693 -29.052 685 HB3 GLU 90 HB1 GLU 90 -1.595 24.750 -30.252 686 HG2 GLU 90 HG2 GLU 90 0.380 23.136 -30.291 687 HG3 GLU 90 HG1 GLU 90 -0.597 22.035 -29.323 688 H ASP 91 HN ASP 91 1.649 23.690 -27.708 689 HA ASP 91 HA ASP 91 0.680 21.768 -25.762 690 HB2 ASP 91 HB2 ASP 91 3.483 22.469 -26.740 691 HB3 ASP 91 HB1 ASP 91 3.170 21.209 -25.553 692 H THR 92 HN THR 92 0.543 24.808 -25.175 693 HA THR 92 HA THR 92 1.911 24.949 -22.623 694 HB THR 92 HB THR 92 -0.317 26.672 -23.785 695 HG1 THR 92 HG1 THR 92 1.717 26.773 -24.881 696 HG21 THR 92 HG21 THR 92 1.402 27.179 -21.324 697 HG22 THR 92 HG22 THR 92 -0.331 26.851 -21.320 698 HG23 THR 92 HG23 THR 92 0.281 28.340 -22.043 699 H ALA 93 HN ALA 93 1.297 23.178 -21.410 700 HA ALA 93 HA ALA 93 -1.364 22.943 -20.314 701 HB1 ALA 93 HB1 ALA 93 -1.870 20.709 -21.278 702 HB2 ALA 93 HB2 ALA 93 -0.414 20.806 -22.272 703 HB3 ALA 93 HB3 ALA 93 -1.742 21.935 -22.542 704 H VAL 94 HN VAL 94 -1.477 20.777 -18.993 705 HA VAL 94 HA VAL 94 1.117 20.250 -17.724 706 HB VAL 94 HB VAL 94 -0.699 20.833 -16.189 707 HG11 VAL 94 HG11 VAL 94 -2.663 19.393 -15.789 708 HG12 VAL 94 HG12 VAL 94 -2.197 18.379 -17.158 709 HG13 VAL 94 HG13 VAL 94 -2.669 20.057 -17.427 710 HG21 VAL 94 HG21 VAL 94 0.089 17.921 -15.906 711 HG22 VAL 94 HG22 VAL 94 -0.513 18.954 -14.606 712 HG23 VAL 94 HG23 VAL 94 1.036 19.312 -15.373 713 H TYR 95 HN TYR 95 2.270 18.656 -18.601 714 HA TYR 95 HA TYR 95 1.060 16.299 -19.812 715 HB2 TYR 95 HB2 TYR 95 3.860 17.400 -19.627 716 HB3 TYR 95 HB1 TYR 95 3.681 15.668 -19.861 717 HD1 TYR 95 HD1 TYR 95 3.240 14.786 -22.023 718 HD2 TYR 95 HD2 TYR 95 2.710 18.968 -21.373 719 HE1 TYR 95 HE1 TYR 95 2.926 15.117 -24.429 720 HE2 TYR 95 HE2 TYR 95 2.403 19.301 -23.796 721 HH TYR 95 HH TYR 95 2.881 18.206 -25.903 722 H LEU 96 HN LEU 96 0.359 14.741 -18.539 723 HA LEU 96 HA LEU 96 1.756 14.110 -16.007 724 HB2 LEU 96 HB2 LEU 96 -0.447 13.306 -15.152 725 HB3 LEU 96 HB1 LEU 96 -0.402 15.018 -15.498 726 HG LEU 96 HG LEU 96 -1.560 14.304 -17.792 727 HD11 LEU 96 HD11 LEU 96 -2.395 11.984 -16.027 728 HD12 LEU 96 HD12 LEU 96 -1.423 11.883 -17.498 729 HD13 LEU 96 HD13 LEU 96 -3.099 12.413 -17.590 730 HD21 LEU 96 HD21 LEU 96 -2.581 15.795 -16.130 731 HD22 LEU 96 HD22 LEU 96 -3.124 14.401 -15.191 732 HD23 LEU 96 HD23 LEU 96 -3.773 14.686 -16.809 733 H CYS 97 HN CYS 97 2.150 11.963 -15.549 734 HA CYS 97 HA CYS 97 1.772 9.992 -17.692 735 HB2 CYS 97 HB2 CYS 97 3.307 8.580 -16.414 736 HB3 CYS 97 HB1 CYS 97 4.017 10.182 -16.607 737 HG CYS 97 HG CYS 97 2.421 10.410 -13.851 738 H ALA 98 HN ALA 98 0.796 7.949 -17.182 739 HA ALA 98 HA ALA 98 -0.887 7.809 -14.766 740 HB1 ALA 98 HB1 ALA 98 -2.294 8.706 -16.589 741 HB2 ALA 98 HB2 ALA 98 -2.814 7.091 -16.112 742 HB3 ALA 98 HB3 ALA 98 -1.888 7.314 -17.599 743 H ALA 99 HN ALA 99 -0.402 5.958 -13.774 744 HA ALA 99 HA ALA 99 0.675 3.652 -15.306 745 HB1 ALA 99 HB1 ALA 99 2.345 4.689 -13.810 746 HB2 ALA 99 HB2 ALA 99 1.943 3.057 -13.277 747 HB3 ALA 99 HB3 ALA 99 1.270 4.453 -12.429 748 H GLY 100 HN GLY 100 0.295 1.521 -14.177 749 HA2 GLY 100 HA2 GLY 100 -1.618 0.977 -12.261 750 HA3 GLY 100 HA1 GLY 100 -2.504 1.127 -13.777 751 H VAL 101 HN VAL 101 -3.033 -1.147 -13.303 752 HA VAL 101 HA VAL 101 -0.846 -3.068 -13.890 753 HB VAL 101 HB VAL 101 -2.166 -4.755 -12.633 754 HG11 VAL 101 HG11 VAL 101 -1.775 -3.864 -10.349 755 HG12 VAL 101 HG12 VAL 101 -1.583 -2.240 -11.015 756 HG13 VAL 101 HG13 VAL 101 -0.425 -3.507 -11.429 757 HG21 VAL 101 HG21 VAL 101 -4.440 -3.865 -12.980 758 HG22 VAL 101 HG22 VAL 101 -4.072 -2.471 -11.962 759 HG23 VAL 101 HG23 VAL 101 -4.124 -4.089 -11.256 760 H TRP 102 HN TRP 102 -1.628 -5.132 -14.867 761 HA TRP 102 HA TRP 102 -3.067 -4.813 -17.289 762 HB2 TRP 102 HB2 TRP 102 -2.841 -7.284 -17.508 763 HB3 TRP 102 HB1 TRP 102 -1.320 -6.533 -17.039 764 HD1 TRP 102 HD1 TRP 102 -0.407 -7.045 -14.525 765 HE1 TRP 102 HE1 TRP 102 -0.936 -8.930 -12.867 766 HE3 TRP 102 HE3 TRP 102 -4.712 -8.852 -16.662 767 HZ2 TRP 102 HZ2 TRP 102 -2.899 -10.912 -12.490 768 HZ3 TRP 102 HZ3 TRP 102 -5.854 -10.749 -15.577 769 HH2 TRP 102 HH2 TRP 102 -4.962 -11.756 -13.535 770 H ARG 103 HN ARG 103 -5.054 -5.852 -17.913 771 HA ARG 103 HA ARG 103 -6.935 -6.559 -15.765 772 HB2 ARG 103 HB2 ARG 103 -7.334 -4.429 -17.894 773 HB3 ARG 103 HB1 ARG 103 -8.723 -5.264 -17.195 774 HG2 ARG 103 HG2 ARG 103 -8.169 -4.485 -14.973 775 HG3 ARG 103 HG1 ARG 103 -6.650 -3.783 -15.538 776 HD2 ARG 103 HD2 ARG 103 -7.779 -2.054 -16.732 777 HD3 ARG 103 HD1 ARG 103 -9.338 -2.870 -16.599 778 HE ARG 103 HE ARG 103 -9.644 -1.904 -14.569 779 HH11 ARG 103 HH11 ARG 103 -6.169 -1.691 -15.215 780 HH12 ARG 103 HH12 ARG 103 -5.865 -0.710 -13.819 781 HH21 ARG 103 HH21 ARG 103 -9.196 -0.651 -12.756 782 HH22 ARG 103 HH22 ARG 103 -7.568 -0.127 -12.439 783 H SER 104 HN SER 104 -8.377 -8.130 -16.244 784 HA SER 104 HA SER 104 -7.936 -9.808 -18.566 785 HB2 SER 104 HB2 SER 104 -9.939 -10.084 -16.275 786 HB3 SER 104 HB1 SER 104 -9.523 -11.346 -17.444 787 HG SER 104 HG SER 104 -7.273 -10.405 -16.366 788 H SER 105 HN SER 105 -10.009 -7.196 -17.790 789 HA SER 105 HA SER 105 -12.219 -7.650 -19.496 790 HB2 SER 105 HB2 SER 105 -10.911 -4.995 -18.734 791 HB3 SER 105 HB1 SER 105 -12.549 -5.198 -19.369 792 HG SER 105 HG SER 105 -12.814 -6.639 -17.421 793 H GLY 106 HN GLY 106 -8.926 -6.826 -20.148 794 HA2 GLY 106 HA2 GLY 106 -7.870 -7.207 -22.227 795 HA3 GLY 106 HA1 GLY 106 -9.392 -6.912 -23.054 796 H TRP 107 HN TRP 107 -9.940 -4.474 -21.512 797 HA TRP 107 HA TRP 107 -8.488 -2.572 -23.103 798 HB2 TRP 107 HB2 TRP 107 -10.527 -2.162 -20.873 799 HB3 TRP 107 HB1 TRP 107 -9.852 -0.863 -21.855 800 HD1 TRP 107 HD1 TRP 107 -10.454 -0.994 -24.574 801 HE1 TRP 107 HE1 TRP 107 -12.591 -1.830 -25.719 802 HE3 TRP 107 HE3 TRP 107 -12.436 -3.731 -20.728 803 HZ2 TRP 107 HZ2 TRP 107 -14.826 -3.418 -25.094 804 HZ3 TRP 107 HZ3 TRP 107 -14.593 -4.870 -21.083 805 HH2 TRP 107 HH2 TRP 107 -15.763 -4.714 -23.225 806 H ASP 108 HN ASP 108 -6.498 -1.931 -22.610 807 HA ASP 108 HA ASP 108 -5.221 -2.021 -20.085 808 HB2 ASP 108 HB2 ASP 108 -3.952 -1.890 -22.215 809 HB3 ASP 108 HB1 ASP 108 -4.619 -0.296 -22.535 810 H THR 109 HN THR 109 -5.574 -0.727 -18.363 811 HA THR 109 HA THR 109 -6.653 1.986 -18.702 812 HB THR 109 HB THR 109 -7.915 -0.056 -16.809 813 HG1 THR 109 HG1 THR 109 -8.418 -0.501 -19.020 814 HG21 THR 109 HG21 THR 109 -8.098 2.287 -16.027 815 HG22 THR 109 HG22 THR 109 -9.671 1.641 -16.497 816 HG23 THR 109 HG23 THR 109 -8.814 2.743 -17.575 817 HA PRO 110 HA PRO 110 -3.577 2.452 -15.343 818 HB2 PRO 110 HB2 PRO 110 -3.676 5.155 -15.076 819 HB3 PRO 110 HB1 PRO 110 -2.895 4.381 -16.464 820 HG2 PRO 110 HG2 PRO 110 -5.654 5.581 -16.270 821 HG3 PRO 110 HG1 PRO 110 -4.449 5.772 -17.561 822 HD2 PRO 110 HD2 PRO 110 -6.554 4.011 -17.729 823 HD3 PRO 110 HD1 PRO 110 -4.999 3.732 -18.545 824 H ASP 111 HN ASP 111 -3.692 2.595 -13.164 825 HA ASP 111 HA ASP 111 -6.296 2.990 -11.834 826 HB2 ASP 111 HB2 ASP 111 -3.669 1.771 -10.840 827 HB3 ASP 111 HB1 ASP 111 -5.145 1.898 -9.882 828 H TYR 112 HN TYR 112 -3.147 4.339 -12.156 829 HA TYR 112 HA TYR 112 -3.589 6.374 -10.068 830 HB2 TYR 112 HB2 TYR 112 -0.856 5.496 -11.109 831 HB3 TYR 112 HB1 TYR 112 -1.214 6.430 -9.660 832 HD1 TYR 112 HD1 TYR 112 -2.248 5.259 -7.650 833 HD2 TYR 112 HD2 TYR 112 -0.813 3.094 -11.045 834 HE1 TYR 112 HE1 TYR 112 -2.191 3.197 -6.317 835 HE2 TYR 112 HE2 TYR 112 -0.763 1.036 -9.715 836 HH TYR 112 HH TYR 112 -2.268 0.704 -6.736 837 H TRP 113 HN TRP 113 -3.840 8.367 -10.911 838 HA TRP 113 HA TRP 113 -2.382 9.157 -13.367 839 HB2 TRP 113 HB2 TRP 113 -4.803 10.441 -12.001 840 HB3 TRP 113 HB1 TRP 113 -3.960 11.140 -13.381 841 HD1 TRP 113 HD1 TRP 113 -4.562 10.187 -15.781 842 HE1 TRP 113 HE1 TRP 113 -6.311 8.508 -16.630 843 HE3 TRP 113 HE3 TRP 113 -6.023 8.176 -11.296 844 HZ2 TRP 113 HZ2 TRP 113 -8.060 6.570 -15.558 845 HZ3 TRP 113 HZ3 TRP 113 -7.740 6.409 -11.299 846 HH2 TRP 113 HH2 TRP 113 -8.736 5.628 -13.389 847 H GLY 114 HN GLY 114 -0.735 10.565 -13.117 848 HA2 GLY 114 HA2 GLY 114 0.291 10.992 -10.464 849 HA3 GLY 114 HA1 GLY 114 1.059 11.419 -11.984 850 H GLN 115 HN GLN 115 1.574 13.179 -10.305 851 HA GLN 115 HA GLN 115 -0.409 15.183 -9.742 852 HB2 GLN 115 HB2 GLN 115 1.463 16.520 -8.863 853 HB3 GLN 115 HB1 GLN 115 1.531 14.869 -8.261 854 HG2 GLN 115 HG2 GLN 115 3.311 14.350 -9.909 855 HG3 GLN 115 HG1 GLN 115 3.246 16.013 -10.493 856 HE21 GLN 115 HE21 GLN 115 5.377 16.470 -9.947 857 HE22 GLN 115 HE22 GLN 115 5.926 16.602 -8.315 858 H GLY 116 HN GLY 116 1.763 14.552 -12.368 859 HA2 GLY 116 HA2 GLY 116 1.910 15.477 -14.458 860 HA3 GLY 116 HA1 GLY 116 0.697 16.670 -14.021 861 H THR 117 HN THR 117 2.733 17.472 -15.554 862 HA THR 117 HA THR 117 4.088 19.387 -13.798 863 HB THR 117 HB THR 117 5.780 17.650 -14.136 864 HG1 THR 117 HG1 THR 117 6.529 19.758 -14.093 865 HG21 THR 117 HG21 THR 117 6.710 17.111 -16.360 866 HG22 THR 117 HG22 THR 117 5.461 18.094 -17.130 867 HG23 THR 117 HG23 THR 117 5.013 16.636 -16.243 868 H GLN 118 HN GLN 118 3.851 21.389 -14.536 869 HA GLN 118 HA GLN 118 2.262 21.869 -16.899 870 HB2 GLN 118 HB2 GLN 118 3.311 23.676 -14.696 871 HB3 GLN 118 HB1 GLN 118 2.424 24.314 -16.074 872 HG2 GLN 118 HG2 GLN 118 1.211 22.123 -14.388 873 HG3 GLN 118 HG1 GLN 118 1.176 23.793 -13.832 874 HE21 GLN 118 HE21 GLN 118 0.857 23.019 -17.299 875 HE22 GLN 118 HE22 GLN 118 -0.812 23.426 -17.401 876 H VAL 119 HN VAL 119 3.443 21.580 -18.729 877 HA VAL 119 HA VAL 119 5.870 23.130 -19.248 878 HB VAL 119 HB VAL 119 5.896 22.104 -21.460 879 HG11 VAL 119 HG11 VAL 119 5.162 20.019 -19.372 880 HG12 VAL 119 HG12 VAL 119 6.770 20.679 -19.675 881 HG13 VAL 119 HG13 VAL 119 5.984 19.684 -20.900 882 HG21 VAL 119 HG21 VAL 119 3.171 20.897 -20.843 883 HG22 VAL 119 HG22 VAL 119 4.128 20.606 -22.299 884 HG23 VAL 119 HG23 VAL 119 3.478 22.212 -21.976 885 H THR 120 HN THR 120 5.919 24.923 -20.652 886 HA THR 120 HA THR 120 3.373 25.895 -21.805 887 HB THR 120 HB THR 120 5.356 27.582 -20.207 888 HG1 THR 120 HG1 THR 120 3.046 26.323 -19.574 889 HG21 THR 120 HG21 THR 120 3.849 29.509 -20.655 890 HG22 THR 120 HG22 THR 120 2.919 28.510 -21.772 891 HG23 THR 120 HG23 THR 120 4.600 28.907 -22.135 892 H VAL 121 HN VAL 121 3.891 25.485 -23.934 893 HA VAL 121 HA VAL 121 6.506 26.365 -24.946 894 HB VAL 121 HB VAL 121 4.205 25.125 -26.515 895 HG11 VAL 121 HG11 VAL 121 7.159 25.446 -27.200 896 HG12 VAL 121 HG12 VAL 121 5.822 26.341 -27.927 897 HG13 VAL 121 HG13 VAL 121 5.964 24.602 -28.191 898 HG21 VAL 121 HG21 VAL 121 4.919 23.572 -24.746 899 HG22 VAL 121 HG22 VAL 121 6.604 23.745 -25.246 900 HG23 VAL 121 HG23 VAL 121 5.438 22.979 -26.327 901 H SER 122 HN SER 122 6.443 28.599 -24.755 902 HA SER 122 HA SER 122 4.260 30.211 -25.659 903 HB2 SER 122 HB2 SER 122 6.045 30.930 -24.021 904 HB3 SER 122 HB1 SER 122 7.181 31.052 -25.370 905 HG SER 122 HG SER 122 4.856 32.556 -24.839 906 H SER 123 HN SER 123 4.188 31.606 -27.537 907 HA SER 123 HA SER 123 4.722 30.125 -29.936 908 HB2 SER 123 HB2 SER 123 3.538 32.921 -29.624 909 HB3 SER 123 HB1 SER 123 3.402 31.876 -31.039 910 HG SER 123 HG SER 123 1.544 31.730 -29.781 911 H LEU 124 HN LEU 124 6.983 30.071 -30.064 912 HA LEU 124 HA LEU 124 9.034 30.551 -30.809 913 HB2 LEU 124 HB2 LEU 124 7.656 32.946 -32.046 914 HB3 LEU 124 HB1 LEU 124 9.372 32.677 -32.248 915 HG LEU 124 HG LEU 124 8.316 31.916 -34.236 916 HD11 LEU 124 HD11 LEU 124 10.129 30.493 -33.477 917 HD12 LEU 124 HD12 LEU 124 8.927 29.574 -34.377 918 HD13 LEU 124 HD13 LEU 124 8.987 29.455 -32.615 919 HD21 LEU 124 HD21 LEU 124 6.511 30.264 -34.338 920 HD22 LEU 124 HD22 LEU 124 6.022 31.713 -33.464 921 HD23 LEU 124 HD23 LEU 124 6.419 30.241 -32.573 922 H GLU 125 HN GLU 125 7.735 32.082 -28.308 923 HA GLU 125 HA GLU 125 9.724 34.186 -27.914 924 HB2 GLU 125 HB2 GLU 125 7.399 33.393 -26.116 925 HB3 GLU 125 HB1 GLU 125 8.396 34.832 -25.955 926 HG2 GLU 125 HG2 GLU 125 6.577 34.234 -28.308 927 HG3 GLU 125 HG1 GLU 125 6.148 35.257 -26.941 928 H HIS 126 HN HIS 126 11.568 32.842 -27.718 929 HA HIS 126 HA HIS 126 11.986 31.170 -25.404 930 HB2 HIS 126 HB2 HIS 126 13.390 30.888 -27.416 931 HB3 HIS 126 HB1 HIS 126 13.989 32.538 -27.261 932 HD1 HIS 126 HD1 HIS 126 16.169 32.731 -26.100 933 HD2 HIS 126 HD2 HIS 126 14.159 29.265 -24.997 934 HE1 HIS 126 HE1 HIS 126 17.724 31.517 -24.544 935 HE2 HIS 126 HE2 HIS 126 16.528 29.376 -23.968 936 H HIS 127 HN HIS 127 11.902 34.539 -26.047 937 HA HIS 127 HA HIS 127 13.313 35.438 -23.699 938 HB2 HIS 127 HB2 HIS 127 11.412 36.918 -25.581 939 HB3 HIS 127 HB1 HIS 127 12.340 37.678 -24.291 940 HD1 HIS 127 HD1 HIS 127 13.373 39.160 -26.229 941 HD2 HIS 127 HD2 HIS 127 14.377 35.139 -26.375 942 HE1 HIS 127 HE1 HIS 127 15.325 39.016 -27.797 943 HE2 HIS 127 HE2 HIS 127 15.787 36.548 -28.006 944 H HIS 128 HN HIS 128 12.513 35.189 -21.729 945 HA HIS 128 HA HIS 128 9.855 35.966 -20.982 946 HB2 HIS 128 HB2 HIS 128 9.113 33.830 -20.006 947 HB3 HIS 128 HB1 HIS 128 9.391 33.632 -21.729 948 HD1 HIS 128 HD1 HIS 128 10.312 32.248 -18.473 949 HD2 HIS 128 HD2 HIS 128 11.828 32.142 -22.335 950 HE1 HIS 128 HE1 HIS 128 11.902 30.306 -18.515 951 HE2 HIS 128 HE2 HIS 128 12.915 30.351 -20.820 952 H HIS 129 HN HIS 129 9.564 35.573 -18.527 953 HA HIS 129 HA HIS 129 11.947 36.433 -17.124 954 HB2 HIS 129 HB2 HIS 129 9.175 35.731 -16.058 955 HB3 HIS 129 HB1 HIS 129 10.469 36.428 -15.096 956 HD1 HIS 129 HD1 HIS 129 11.117 38.920 -15.596 957 HD2 HIS 129 HD2 HIS 129 7.735 37.561 -17.587 958 HE1 HIS 129 HE1 HIS 129 9.939 40.983 -16.410 959 HE2 HIS 129 HE2 HIS 129 7.954 40.131 -17.694 960 H HIS 130 HN HIS 130 13.250 35.230 -15.794 961 HA HIS 130 HA HIS 130 12.603 32.372 -15.349 962 HB2 HIS 130 HB2 HIS 130 14.807 32.693 -16.369 963 HB3 HIS 130 HB1 HIS 130 15.267 33.847 -15.119 964 HD1 HIS 130 HD1 HIS 130 14.589 30.140 -15.596 965 HD2 HIS 130 HD2 HIS 130 16.287 32.698 -12.788 966 HE1 HIS 130 HE1 HIS 130 15.633 28.651 -13.864 967 HE2 HIS 130 HE2 HIS 130 16.457 30.217 -12.074 968 H HIS 131 HN HIS 131 11.674 31.970 -13.456 969 HA HIS 131 HA HIS 131 12.106 33.687 -11.131 970 HB2 HIS 131 HB2 HIS 131 10.297 32.416 -10.047 971 HB3 HIS 131 HB1 HIS 131 9.782 33.028 -11.606 972 HD1 HIS 131 HD1 HIS 131 9.848 31.127 -13.591 973 HD2 HIS 131 HD2 HIS 131 9.749 29.785 -9.672 974 HE1 HIS 131 HE1 HIS 131 9.036 28.762 -13.725 975 HE2 HIS 131 HE2 HIS 131 9.124 27.927 -11.353 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 -2.494 1.368 -0.559 2 H2 MET 1 HT2 MET 1 -2.977 0.802 -2.072 3 H3 MET 1 HT3 MET 1 -3.506 2.312 -1.531 4 HA MET 1 HA MET 1 -1.298 3.177 -1.584 5 HB2 MET 1 HB2 MET 1 -0.572 0.364 -2.498 6 HB3 MET 1 HB1 MET 1 0.501 1.737 -2.737 7 HG2 MET 1 HG2 MET 1 1.129 0.418 -0.780 8 HG3 MET 1 HG1 MET 1 0.665 2.059 -0.318 9 HE1 MET 1 HE1 MET 1 0.887 -0.476 1.737 10 HE2 MET 1 HE2 MET 1 -0.526 -0.128 2.738 11 HE3 MET 1 HE3 MET 1 0.530 1.184 2.209 12 H GLN 2 HN GLN 2 -1.813 4.620 -3.111 13 HA GLN 2 HA GLN 2 -2.574 3.915 -5.820 14 HB2 GLN 2 HB2 GLN 2 -1.821 6.596 -4.585 15 HB3 GLN 2 HB1 GLN 2 -2.431 6.383 -6.227 16 HG2 GLN 2 HG2 GLN 2 -4.565 5.567 -5.353 17 HG3 GLN 2 HG1 GLN 2 -3.964 5.704 -3.696 18 HE21 GLN 2 HE21 GLN 2 -3.711 7.772 -2.788 19 HE22 GLN 2 HE22 GLN 2 -4.429 9.179 -3.488 20 H LEU 3 HN LEU 3 -1.292 4.556 -7.699 21 HA LEU 3 HA LEU 3 1.504 3.990 -7.447 22 HB2 LEU 3 HB2 LEU 3 -0.389 4.459 -9.718 23 HB3 LEU 3 HB1 LEU 3 1.287 4.853 -10.040 24 HG LEU 3 HG LEU 3 0.878 2.604 -10.794 25 HD11 LEU 3 HD11 LEU 3 2.597 1.382 -9.554 26 HD12 LEU 3 HD12 LEU 3 2.509 2.553 -8.233 27 HD13 LEU 3 HD13 LEU 3 3.073 3.058 -9.829 28 HD21 LEU 3 HD21 LEU 3 0.137 0.785 -9.331 29 HD22 LEU 3 HD22 LEU 3 -1.079 2.056 -9.428 30 HD23 LEU 3 HD23 LEU 3 -0.065 1.922 -7.991 31 H GLN 4 HN GLN 4 3.003 5.373 -6.850 32 HA GLN 4 HA GLN 4 2.505 8.260 -6.854 33 HB2 GLN 4 HB2 GLN 4 4.863 6.739 -5.666 34 HB3 GLN 4 HB1 GLN 4 4.410 8.407 -5.333 35 HG2 GLN 4 HG2 GLN 4 2.339 7.597 -4.233 36 HG3 GLN 4 HG1 GLN 4 2.829 5.939 -4.572 37 HE21 GLN 4 HE21 GLN 4 5.052 8.480 -3.496 38 HE22 GLN 4 HE22 GLN 4 5.373 7.779 -1.957 39 H LEU 5 HN LEU 5 3.026 9.233 -8.756 40 HA LEU 5 HA LEU 5 5.650 8.633 -10.007 41 HB2 LEU 5 HB2 LEU 5 3.145 9.656 -11.417 42 HB3 LEU 5 HB1 LEU 5 4.710 9.443 -12.159 43 HG LEU 5 HG LEU 5 4.431 6.917 -11.566 44 HD11 LEU 5 HD11 LEU 5 2.140 6.079 -11.443 45 HD12 LEU 5 HD12 LEU 5 1.526 7.734 -11.379 46 HD13 LEU 5 HD13 LEU 5 2.519 7.107 -10.062 47 HD21 LEU 5 HD21 LEU 5 2.662 8.130 -13.711 48 HD22 LEU 5 HD22 LEU 5 3.215 6.453 -13.649 49 HD23 LEU 5 HD23 LEU 5 4.379 7.757 -13.871 50 H VAL 6 HN VAL 6 7.053 10.258 -9.726 51 HA VAL 6 HA VAL 6 6.129 12.964 -9.031 52 HB VAL 6 HB VAL 6 8.923 11.739 -8.808 53 HG11 VAL 6 HG11 VAL 6 9.513 13.749 -7.471 54 HG12 VAL 6 HG12 VAL 6 7.924 14.437 -7.808 55 HG13 VAL 6 HG13 VAL 6 9.069 14.181 -9.126 56 HG21 VAL 6 HG21 VAL 6 6.878 12.315 -6.641 57 HG22 VAL 6 HG22 VAL 6 8.526 11.740 -6.367 58 HG23 VAL 6 HG23 VAL 6 7.363 10.717 -7.216 59 H GLU 7 HN GLU 7 5.753 14.023 -10.853 60 HA GLU 7 HA GLU 7 7.361 13.611 -13.259 61 HB2 GLU 7 HB2 GLU 7 4.796 15.185 -12.796 62 HB3 GLU 7 HB1 GLU 7 5.555 14.883 -14.359 63 HG2 GLU 7 HG2 GLU 7 5.147 12.492 -14.158 64 HG3 GLU 7 HG1 GLU 7 4.519 12.704 -12.519 65 H SER 8 HN SER 8 8.633 15.144 -14.145 66 HA SER 8 HA SER 8 8.865 17.848 -13.078 67 HB2 SER 8 HB2 SER 8 11.379 17.427 -12.678 68 HB3 SER 8 HB1 SER 8 10.282 16.708 -11.501 69 HG SER 8 HG SER 8 10.455 14.746 -12.789 70 H GLY 9 HN GLY 9 10.564 19.064 -14.319 71 HA2 GLY 9 HA2 GLY 9 11.795 19.381 -16.361 72 HA3 GLY 9 HA1 GLY 9 10.779 18.176 -17.146 73 H GLY 10 HN GLY 10 8.395 19.397 -15.685 74 HA2 GLY 10 HA2 GLY 10 7.386 20.964 -17.802 75 HA3 GLY 10 HA1 GLY 10 6.647 20.766 -16.224 76 H GLY 11 HN GLY 11 7.474 23.051 -18.236 77 HA2 GLY 11 HA2 GLY 11 7.505 25.221 -16.440 78 HA3 GLY 11 HA1 GLY 11 9.160 24.879 -16.943 79 H LEU 12 HN LEU 12 8.645 27.190 -17.694 80 HA LEU 12 HA LEU 12 7.161 27.471 -20.126 81 HB2 LEU 12 HB2 LEU 12 7.529 29.289 -18.365 82 HB3 LEU 12 HB1 LEU 12 9.156 29.409 -18.987 83 HG LEU 12 HG LEU 12 8.046 29.853 -21.298 84 HD11 LEU 12 HD11 LEU 12 5.697 30.511 -19.511 85 HD12 LEU 12 HD12 LEU 12 5.777 29.201 -20.692 86 HD13 LEU 12 HD13 LEU 12 5.834 30.876 -21.232 87 HD21 LEU 12 HD21 LEU 12 9.298 31.580 -20.070 88 HD22 LEU 12 HD22 LEU 12 7.835 32.005 -19.177 89 HD23 LEU 12 HD23 LEU 12 7.907 32.245 -20.928 90 H VAL 13 HN VAL 13 7.891 26.804 -22.019 91 HA VAL 13 HA VAL 13 10.757 26.977 -22.737 92 HB VAL 13 HB VAL 13 10.354 24.840 -24.149 93 HG11 VAL 13 HG11 VAL 13 10.306 24.547 -21.117 94 HG12 VAL 13 HG12 VAL 13 11.743 24.804 -22.109 95 HG13 VAL 13 HG13 VAL 13 10.823 23.306 -22.262 96 HG21 VAL 13 HG21 VAL 13 7.962 24.561 -22.283 97 HG22 VAL 13 HG22 VAL 13 8.559 23.312 -23.380 98 HG23 VAL 13 HG23 VAL 13 7.888 24.809 -24.031 99 H GLN 14 HN GLN 14 11.041 26.976 -25.182 100 HA GLN 14 HA GLN 14 9.065 28.817 -26.324 101 HB2 GLN 14 HB2 GLN 14 10.816 29.490 -27.885 102 HB3 GLN 14 HB1 GLN 14 11.414 29.535 -26.242 103 HG2 GLN 14 HG2 GLN 14 13.230 28.482 -27.052 104 HG3 GLN 14 HG1 GLN 14 12.238 27.029 -27.034 105 HE21 GLN 14 HE21 GLN 14 11.479 26.206 -28.979 106 HE22 GLN 14 HE22 GLN 14 12.098 26.712 -30.505 107 H ALA 15 HN ALA 15 8.039 28.531 -28.252 108 HA ALA 15 HA ALA 15 7.309 26.009 -29.186 109 HB1 ALA 15 HB1 ALA 15 7.100 28.685 -30.605 110 HB2 ALA 15 HB2 ALA 15 5.915 28.002 -29.490 111 HB3 ALA 15 HB3 ALA 15 6.212 27.220 -31.044 112 H GLY 16 HN GLY 16 8.206 24.642 -30.585 113 HA2 GLY 16 HA2 GLY 16 9.468 23.850 -32.382 114 HA3 GLY 16 HA1 GLY 16 10.219 25.429 -32.550 115 H GLY 17 HN GLY 17 10.132 24.360 -29.344 116 HA2 GLY 17 HA2 GLY 17 13.006 23.791 -29.302 117 HA3 GLY 17 HA1 GLY 17 11.959 24.098 -27.924 118 H SER 18 HN SER 18 13.294 22.214 -27.184 119 HA SER 18 HA SER 18 11.595 19.839 -27.420 120 HB2 SER 18 HB2 SER 18 13.633 18.358 -27.408 121 HB3 SER 18 HB1 SER 18 13.485 19.315 -28.883 122 HG SER 18 HG SER 18 14.910 20.736 -27.145 123 H LEU 19 HN LEU 19 11.086 19.062 -25.447 124 HA LEU 19 HA LEU 19 12.680 19.829 -23.082 125 HB2 LEU 19 HB2 LEU 19 10.665 21.271 -23.233 126 HB3 LEU 19 HB1 LEU 19 9.641 19.850 -23.340 127 HG LEU 19 HG LEU 19 10.314 19.194 -21.032 128 HD11 LEU 19 HD11 LEU 19 11.542 20.746 -19.588 129 HD12 LEU 19 HD12 LEU 19 11.820 21.825 -20.957 130 HD13 LEU 19 HD13 LEU 19 12.540 20.212 -20.941 131 HD21 LEU 19 HD21 LEU 19 9.046 20.913 -19.826 132 HD22 LEU 19 HD22 LEU 19 8.265 20.499 -21.352 133 HD23 LEU 19 HD23 LEU 19 9.180 22.002 -21.211 134 H ARG 20 HN ARG 20 13.360 18.037 -22.075 135 HA ARG 20 HA ARG 20 11.953 15.490 -22.405 136 HB2 ARG 20 HB2 ARG 20 14.414 15.492 -22.667 137 HB3 ARG 20 HB1 ARG 20 14.595 16.100 -21.025 138 HG2 ARG 20 HG2 ARG 20 13.566 14.012 -20.149 139 HG3 ARG 20 HG1 ARG 20 13.423 13.403 -21.800 140 HD2 ARG 20 HD2 ARG 20 16.017 14.088 -20.378 141 HD3 ARG 20 HD1 ARG 20 15.390 12.457 -20.639 142 HE ARG 20 HE ARG 20 15.543 13.606 -23.143 143 HH11 ARG 20 HH11 ARG 20 17.881 12.971 -20.590 144 HH12 ARG 20 HH12 ARG 20 19.177 12.674 -21.700 145 HH21 ARG 20 HH21 ARG 20 17.255 13.256 -24.567 146 HH22 ARG 20 HH22 ARG 20 18.825 12.844 -23.954 147 H LEU 21 HN LEU 21 10.390 15.049 -21.033 148 HA LEU 21 HA LEU 21 10.287 16.038 -18.300 149 HB2 LEU 21 HB2 LEU 21 8.405 14.260 -19.915 150 HB3 LEU 21 HB1 LEU 21 8.122 14.688 -18.241 151 HG LEU 21 HG LEU 21 6.716 16.079 -19.610 152 HD11 LEU 21 HD11 LEU 21 7.395 18.324 -18.974 153 HD12 LEU 21 HD12 LEU 21 9.033 17.759 -18.639 154 HD13 LEU 21 HD13 LEU 21 7.680 17.179 -17.665 155 HD21 LEU 21 HD21 LEU 21 7.899 15.890 -21.743 156 HD22 LEU 21 HD22 LEU 21 9.169 16.964 -21.153 157 HD23 LEU 21 HD23 LEU 21 7.525 17.572 -21.369 158 H SER 22 HN SER 22 10.290 14.651 -16.477 159 HA SER 22 HA SER 22 11.169 11.859 -16.820 160 HB2 SER 22 HB2 SER 22 12.805 12.245 -14.897 161 HB3 SER 22 HB1 SER 22 13.245 13.011 -16.422 162 HG SER 22 HG SER 22 11.773 14.453 -14.507 163 H CYS 23 HN CYS 23 10.047 10.534 -15.579 164 HA CYS 23 HA CYS 23 8.271 11.542 -13.458 165 HB2 CYS 23 HB2 CYS 23 7.024 11.013 -15.510 166 HB3 CYS 23 HB1 CYS 23 7.735 9.403 -15.561 167 HG CYS 23 HG CYS 23 5.380 8.709 -14.672 168 H VAL 24 HN VAL 24 9.180 10.836 -11.632 169 HA VAL 24 HA VAL 24 10.806 8.402 -11.513 170 HB VAL 24 HB VAL 24 10.499 10.584 -9.410 171 HG11 VAL 24 HG11 VAL 24 12.719 9.849 -8.628 172 HG12 VAL 24 HG12 VAL 24 12.744 8.601 -9.877 173 HG13 VAL 24 HG13 VAL 24 11.546 8.530 -8.584 174 HG21 VAL 24 HG21 VAL 24 12.543 10.528 -11.665 175 HG22 VAL 24 HG22 VAL 24 12.517 11.683 -10.331 176 HG23 VAL 24 HG23 VAL 24 11.204 11.669 -11.510 177 H ALA 25 HN ALA 25 9.905 6.545 -10.582 178 HA ALA 25 HA ALA 25 7.195 6.777 -9.511 179 HB1 ALA 25 HB1 ALA 25 8.812 4.292 -10.189 180 HB2 ALA 25 HB2 ALA 25 7.668 5.100 -11.260 181 HB3 ALA 25 HB3 ALA 25 7.093 4.332 -9.779 182 H SER 26 HN SER 26 7.230 7.450 -7.457 183 HA SER 26 HA SER 26 7.575 7.663 -5.238 184 HB2 SER 26 HB2 SER 26 6.202 5.593 -5.307 185 HB3 SER 26 HB1 SER 26 7.666 4.614 -5.353 186 HG SER 26 HG SER 26 8.046 5.061 -3.281 187 H GLY 27 HN GLY 27 9.868 8.170 -6.578 188 HA2 GLY 27 HA2 GLY 27 12.153 8.393 -6.324 189 HA3 GLY 27 HA1 GLY 27 12.078 7.391 -4.871 190 H ARG 28 HN ARG 28 12.170 5.103 -5.076 191 HA ARG 28 HA ARG 28 12.600 3.924 -7.740 192 HB2 ARG 28 HB2 ARG 28 14.548 3.525 -5.405 193 HB3 ARG 28 HB1 ARG 28 14.634 2.711 -6.968 194 HG2 ARG 28 HG2 ARG 28 14.982 4.929 -8.062 195 HG3 ARG 28 HG1 ARG 28 14.957 5.687 -6.474 196 HD2 ARG 28 HD2 ARG 28 16.987 4.416 -5.847 197 HD3 ARG 28 HD1 ARG 28 17.009 3.679 -7.456 198 HE ARG 28 HE ARG 28 16.929 6.500 -7.697 199 HH11 ARG 28 HH11 ARG 28 19.213 3.966 -6.855 200 HH12 ARG 28 HH12 ARG 28 20.591 4.918 -7.295 201 HH21 ARG 28 HH21 ARG 28 18.748 7.719 -8.276 202 HH22 ARG 28 HH22 ARG 28 20.335 7.037 -8.098 203 H THR 29 HN THR 29 10.633 2.873 -7.570 204 HA THR 29 HA THR 29 10.573 0.582 -5.694 205 HB THR 29 HB THR 29 8.928 2.378 -4.951 206 HG1 THR 29 HG1 THR 29 8.677 0.019 -4.630 207 HG21 THR 29 HG21 THR 29 6.827 2.677 -6.186 208 HG22 THR 29 HG22 THR 29 7.407 1.631 -7.482 209 HG23 THR 29 HG23 THR 29 8.185 3.187 -7.189 210 H PHE 30 HN PHE 30 9.425 -1.248 -6.497 211 HA PHE 30 HA PHE 30 8.966 -1.357 -9.422 212 HB2 PHE 30 HB2 PHE 30 9.584 -3.648 -7.485 213 HB3 PHE 30 HB1 PHE 30 9.337 -3.814 -9.220 214 HD1 PHE 30 HD1 PHE 30 11.156 -3.424 -10.767 215 HD2 PHE 30 HD2 PHE 30 11.640 -2.450 -6.630 216 HE1 PHE 30 HE1 PHE 30 13.569 -3.081 -11.121 217 HE2 PHE 30 HE2 PHE 30 14.045 -2.108 -6.996 218 HZ PHE 30 HZ PHE 30 15.014 -2.419 -9.240 219 H ARG 31 HN ARG 31 6.823 -1.424 -9.927 220 HA ARG 31 HA ARG 31 4.895 -2.862 -8.307 221 HB2 ARG 31 HB2 ARG 31 5.120 -0.568 -7.204 222 HB3 ARG 31 HB1 ARG 31 4.503 0.140 -8.687 223 HG2 ARG 31 HG2 ARG 31 2.618 0.043 -7.280 224 HG3 ARG 31 HG1 ARG 31 2.420 -1.356 -8.338 225 HD2 ARG 31 HD2 ARG 31 3.532 -1.432 -5.503 226 HD3 ARG 31 HD1 ARG 31 1.892 -1.875 -5.968 227 HE ARG 31 HE ARG 31 3.106 -3.626 -7.426 228 HH11 ARG 31 HH11 ARG 31 4.242 -2.607 -4.268 229 HH12 ARG 31 HH12 ARG 31 4.950 -4.143 -3.898 230 HH21 ARG 31 HH21 ARG 31 4.070 -5.617 -6.940 231 HH22 ARG 31 HH22 ARG 31 4.850 -5.843 -5.410 232 H SER 32 HN SER 32 4.433 -0.119 -10.578 233 HA SER 32 HA SER 32 2.439 -1.633 -12.003 234 HB2 SER 32 HB2 SER 32 2.212 0.508 -13.344 235 HB3 SER 32 HB1 SER 32 1.981 0.696 -11.606 236 HG SER 32 HG SER 32 4.368 1.240 -13.039 237 H ASN 33 HN ASN 33 2.837 -2.943 -13.596 238 HA ASN 33 HA ASN 33 5.203 -2.735 -15.317 239 HB2 ASN 33 HB2 ASN 33 3.004 -4.846 -15.183 240 HB3 ASN 33 HB1 ASN 33 4.441 -4.936 -16.200 241 HD21 ASN 33 HD21 ASN 33 3.202 -5.189 -12.947 242 HD22 ASN 33 HD22 ASN 33 4.629 -5.860 -12.243 243 H ALA 34 HN ALA 34 2.481 -1.120 -15.237 244 HA ALA 34 HA ALA 34 2.312 -0.732 -18.141 245 HB1 ALA 34 HB1 ALA 34 -0.106 -1.034 -16.310 246 HB2 ALA 34 HB2 ALA 34 0.407 -2.189 -17.540 247 HB3 ALA 34 HB3 ALA 34 -0.154 -0.588 -18.019 248 H MET 35 HN MET 35 2.619 1.350 -18.546 249 HA MET 35 HA MET 35 1.791 3.526 -16.743 250 HB2 MET 35 HB2 MET 35 4.638 3.183 -17.830 251 HB3 MET 35 HB1 MET 35 4.041 4.666 -17.096 252 HG2 MET 35 HG2 MET 35 3.798 3.541 -14.949 253 HG3 MET 35 HG1 MET 35 4.271 2.001 -15.672 254 HE1 MET 35 HE1 MET 35 6.150 1.880 -13.593 255 HE2 MET 35 HE2 MET 35 5.680 3.491 -13.050 256 HE3 MET 35 HE3 MET 35 7.375 3.129 -13.373 257 H GLY 36 HN GLY 36 1.959 5.689 -17.952 258 HA2 GLY 36 HA2 GLY 36 2.263 5.661 -20.808 259 HA3 GLY 36 HA1 GLY 36 0.571 5.724 -20.331 260 H TRP 37 HN TRP 37 2.050 7.682 -21.810 261 HA TRP 37 HA TRP 37 1.915 10.055 -20.038 262 HB2 TRP 37 HB2 TRP 37 3.194 9.714 -22.799 263 HB3 TRP 37 HB1 TRP 37 3.091 11.243 -21.933 264 HD1 TRP 37 HD1 TRP 37 5.097 8.009 -22.042 265 HE1 TRP 37 HE1 TRP 37 7.134 8.255 -20.508 266 HE3 TRP 37 HE3 TRP 37 3.840 12.387 -19.676 267 HZ2 TRP 37 HZ2 TRP 37 8.087 10.025 -18.529 268 HZ3 TRP 37 HZ3 TRP 37 5.378 13.289 -17.969 269 HH2 TRP 37 HH2 TRP 37 7.460 12.127 -17.408 270 H PHE 38 HN PHE 38 0.332 11.508 -20.392 271 HA PHE 38 HA PHE 38 -1.362 11.394 -22.802 272 HB2 PHE 38 HB2 PHE 38 -2.453 11.500 -19.948 273 HB3 PHE 38 HB1 PHE 38 -3.415 11.600 -21.411 274 HD1 PHE 38 HD1 PHE 38 -4.039 9.602 -22.635 275 HD2 PHE 38 HD2 PHE 38 -1.409 9.328 -19.273 276 HE1 PHE 38 HE1 PHE 38 -4.298 7.155 -22.621 277 HE2 PHE 38 HE2 PHE 38 -1.671 6.884 -19.269 278 HZ PHE 38 HZ PHE 38 -3.113 5.794 -20.944 279 H ARG 39 HN ARG 39 -2.029 13.406 -23.477 280 HA ARG 39 HA ARG 39 -1.046 15.775 -21.999 281 HB2 ARG 39 HB2 ARG 39 -1.194 16.964 -24.152 282 HB3 ARG 39 HB1 ARG 39 -0.176 15.538 -24.290 283 HG2 ARG 39 HG2 ARG 39 -1.951 14.322 -25.445 284 HG3 ARG 39 HG1 ARG 39 -3.066 15.669 -25.205 285 HD2 ARG 39 HD2 ARG 39 -1.530 17.104 -26.585 286 HD3 ARG 39 HD1 ARG 39 -0.566 15.660 -26.912 287 HE ARG 39 HE ARG 39 -2.419 14.724 -28.121 288 HH11 ARG 39 HH11 ARG 39 -2.898 18.116 -27.276 289 HH12 ARG 39 HH12 ARG 39 -4.084 18.373 -28.514 290 HH21 ARG 39 HH21 ARG 39 -3.979 15.104 -29.731 291 HH22 ARG 39 HH22 ARG 39 -4.692 16.678 -29.890 292 H GLN 40 HN GLN 40 -2.444 17.399 -21.402 293 HA GLN 40 HA GLN 40 -5.298 17.233 -22.096 294 HB2 GLN 40 HB2 GLN 40 -5.073 15.834 -20.085 295 HB3 GLN 40 HB1 GLN 40 -4.201 17.109 -19.244 296 HG2 GLN 40 HG2 GLN 40 -6.212 18.497 -19.199 297 HG3 GLN 40 HG1 GLN 40 -7.091 17.300 -20.154 298 HE21 GLN 40 HE21 GLN 40 -8.655 17.103 -18.511 299 HE22 GLN 40 HE22 GLN 40 -8.357 16.257 -17.044 300 H ALA 41 HN ALA 41 -6.086 19.213 -22.421 301 HA ALA 41 HA ALA 41 -4.576 21.608 -21.628 302 HB1 ALA 41 HB1 ALA 41 -6.996 21.282 -23.443 303 HB2 ALA 41 HB2 ALA 41 -5.317 21.407 -23.969 304 HB3 ALA 41 HB3 ALA 41 -6.094 22.780 -23.180 305 HA PRO 42 HA PRO 42 -7.192 22.827 -18.171 306 HB2 PRO 42 HB2 PRO 42 -7.845 25.400 -19.609 307 HB3 PRO 42 HB1 PRO 42 -7.251 25.155 -17.958 308 HG2 PRO 42 HG2 PRO 42 -5.582 25.987 -19.859 309 HG3 PRO 42 HG1 PRO 42 -5.046 24.781 -18.668 310 HD2 PRO 42 HD2 PRO 42 -5.870 24.373 -21.541 311 HD3 PRO 42 HD1 PRO 42 -4.557 23.602 -20.621 312 H GLY 43 HN GLY 43 -9.006 21.610 -18.017 313 HA2 GLY 43 HA2 GLY 43 -11.295 21.269 -17.924 314 HA3 GLY 43 HA1 GLY 43 -11.541 22.633 -18.999 315 H LYS 44 HN LYS 44 -9.295 20.494 -20.305 316 HA LYS 44 HA LYS 44 -11.312 19.281 -22.107 317 HB2 LYS 44 HB2 LYS 44 -8.356 19.901 -22.533 318 HB3 LYS 44 HB1 LYS 44 -9.356 19.046 -23.699 319 HG2 LYS 44 HG2 LYS 44 -10.260 21.773 -22.790 320 HG3 LYS 44 HG1 LYS 44 -8.888 21.675 -23.886 321 HD2 LYS 44 HD2 LYS 44 -10.922 22.035 -25.172 322 HD3 LYS 44 HD1 LYS 44 -10.291 20.429 -25.520 323 HE2 LYS 44 HE2 LYS 44 -11.992 19.458 -23.995 324 HE3 LYS 44 HE1 LYS 44 -12.638 21.071 -23.695 325 HZ1 LYS 44 HZ1 LYS 44 -13.244 21.242 -25.996 326 HZ2 LYS 44 HZ2 LYS 44 -13.886 19.811 -25.361 327 HZ3 LYS 44 HZ3 LYS 44 -12.516 19.756 -26.350 328 H GLU 45 HN GLU 45 -10.405 17.138 -23.097 329 HA GLU 45 HA GLU 45 -10.032 15.225 -20.957 330 HB2 GLU 45 HB2 GLU 45 -10.155 14.846 -23.976 331 HB3 GLU 45 HB1 GLU 45 -10.249 13.553 -22.782 332 HG2 GLU 45 HG2 GLU 45 -12.378 14.435 -21.948 333 HG3 GLU 45 HG1 GLU 45 -12.265 15.810 -23.050 334 H ARG 46 HN ARG 46 -8.363 13.457 -21.169 335 HA ARG 46 HA ARG 46 -5.765 14.523 -22.073 336 HB2 ARG 46 HB2 ARG 46 -4.645 12.915 -20.581 337 HB3 ARG 46 HB1 ARG 46 -5.694 14.008 -19.705 338 HG2 ARG 46 HG2 ARG 46 -6.633 11.228 -20.422 339 HG3 ARG 46 HG1 ARG 46 -5.591 11.492 -19.022 340 HD2 ARG 46 HD2 ARG 46 -8.309 12.777 -19.481 341 HD3 ARG 46 HD1 ARG 46 -7.980 11.422 -18.395 342 HE ARG 46 HE ARG 46 -6.407 13.786 -17.853 343 HH11 ARG 46 HH11 ARG 46 -9.470 12.191 -17.131 344 HH12 ARG 46 HH12 ARG 46 -9.699 13.080 -15.658 345 HH21 ARG 46 HH21 ARG 46 -6.739 14.922 -15.955 346 HH22 ARG 46 HH22 ARG 46 -8.159 14.637 -14.999 347 H GLU 47 HN GLU 47 -5.120 13.855 -23.974 348 HA GLU 47 HA GLU 47 -6.052 11.347 -25.161 349 HB2 GLU 47 HB2 GLU 47 -6.175 13.418 -26.507 350 HB3 GLU 47 HB1 GLU 47 -4.438 13.651 -26.336 351 HG2 GLU 47 HG2 GLU 47 -4.079 11.502 -27.571 352 HG3 GLU 47 HG1 GLU 47 -5.822 11.386 -27.807 353 H PHE 48 HN PHE 48 -4.684 9.697 -25.785 354 HA PHE 48 HA PHE 48 -2.329 9.205 -24.346 355 HB2 PHE 48 HB2 PHE 48 -2.124 7.178 -25.783 356 HB3 PHE 48 HB1 PHE 48 -3.726 7.373 -25.097 357 HD1 PHE 48 HD1 PHE 48 -1.789 7.242 -28.207 358 HD2 PHE 48 HD2 PHE 48 -5.662 8.006 -26.563 359 HE1 PHE 48 HE1 PHE 48 -2.779 7.046 -30.447 360 HE2 PHE 48 HE2 PHE 48 -6.645 7.805 -28.815 361 HZ PHE 48 HZ PHE 48 -5.204 7.327 -30.753 362 H VAL 49 HN VAL 49 -0.447 10.163 -24.619 363 HA VAL 49 HA VAL 49 0.587 11.037 -27.208 364 HB VAL 49 HB VAL 49 1.941 11.014 -24.466 365 HG11 VAL 49 HG11 VAL 49 2.775 12.482 -27.003 366 HG12 VAL 49 HG12 VAL 49 3.598 11.088 -26.295 367 HG13 VAL 49 HG13 VAL 49 3.554 12.621 -25.425 368 HG21 VAL 49 HG21 VAL 49 0.528 13.312 -25.864 369 HG22 VAL 49 HG22 VAL 49 1.411 13.414 -24.338 370 HG23 VAL 49 HG23 VAL 49 -0.058 12.442 -24.442 371 H ALA 50 HN ALA 50 1.203 8.652 -24.671 372 HA ALA 50 HA ALA 50 2.345 6.671 -26.394 373 HB1 ALA 50 HB1 ALA 50 4.269 8.204 -26.254 374 HB2 ALA 50 HB2 ALA 50 4.618 6.681 -25.436 375 HB3 ALA 50 HB3 ALA 50 4.223 8.120 -24.490 376 H ALA 51 HN ALA 51 3.443 4.915 -24.900 377 HA ALA 51 HA ALA 51 2.366 4.642 -22.246 378 HB1 ALA 51 HB1 ALA 51 0.391 4.005 -23.574 379 HB2 ALA 51 HB2 ALA 51 1.029 2.623 -22.682 380 HB3 ALA 51 HB3 ALA 51 1.342 2.776 -24.414 381 H ILE 52 HN ILE 52 3.723 3.507 -21.070 382 HA ILE 52 HA ILE 52 5.773 1.795 -22.346 383 HB ILE 52 HB ILE 52 6.044 3.892 -20.173 384 HG12 ILE 52 HG12 ILE 52 7.629 3.232 -22.684 385 HG13 ILE 52 HG11 ILE 52 6.580 4.624 -22.433 386 HG21 ILE 52 HG21 ILE 52 8.000 1.599 -20.522 387 HG22 ILE 52 HG22 ILE 52 6.987 1.898 -19.111 388 HG23 ILE 52 HG23 ILE 52 8.268 3.031 -19.527 389 HD11 ILE 52 HD11 ILE 52 9.201 4.102 -21.017 390 HD12 ILE 52 HD12 ILE 52 8.154 5.506 -20.792 391 HD13 ILE 52 HD13 ILE 52 8.927 5.227 -22.345 392 H ARG 53 HN ARG 53 5.395 -0.224 -21.852 393 HA ARG 53 HA ARG 53 4.555 -1.082 -19.171 394 HB2 ARG 53 HB2 ARG 53 5.147 -2.789 -21.635 395 HB3 ARG 53 HB1 ARG 53 4.361 -3.318 -20.146 396 HG2 ARG 53 HG2 ARG 53 2.418 -1.899 -20.634 397 HG3 ARG 53 HG1 ARG 53 3.213 -1.274 -22.084 398 HD2 ARG 53 HD2 ARG 53 3.269 -3.658 -22.954 399 HD3 ARG 53 HD1 ARG 53 2.251 -4.112 -21.580 400 HE ARG 53 HE ARG 53 1.057 -1.950 -22.938 401 HH11 ARG 53 HH11 ARG 53 1.619 -5.381 -23.347 402 HH12 ARG 53 HH12 ARG 53 0.323 -5.577 -24.482 403 HH21 ARG 53 HH21 ARG 53 -0.617 -2.220 -24.439 404 HH22 ARG 53 HH22 ARG 53 -0.930 -3.794 -25.095 405 H TRP 54 HN TRP 54 5.903 -3.198 -18.508 406 HA TRP 54 HA TRP 54 8.549 -2.874 -17.926 407 HB2 TRP 54 HB2 TRP 54 8.705 -5.453 -18.093 408 HB3 TRP 54 HB1 TRP 54 7.442 -4.800 -17.061 409 HD1 TRP 54 HD1 TRP 54 4.954 -5.411 -17.626 410 HE1 TRP 54 HE1 TRP 54 3.822 -6.897 -19.381 411 HE3 TRP 54 HE3 TRP 54 8.967 -6.304 -20.687 412 HZ2 TRP 54 HZ2 TRP 54 4.504 -8.247 -21.750 413 HZ3 TRP 54 HZ3 TRP 54 8.636 -7.702 -22.686 414 HH2 TRP 54 HH2 TRP 54 6.445 -8.657 -23.205 415 H SER 55 HN SER 55 10.552 -3.930 -18.887 416 HA SER 55 HA SER 55 11.155 -2.663 -21.330 417 HB2 SER 55 HB2 SER 55 12.739 -4.873 -19.952 418 HB3 SER 55 HB1 SER 55 13.375 -3.663 -21.073 419 HG SER 55 HG SER 55 13.765 -2.662 -19.249 420 H GLY 56 HN GLY 56 10.817 -3.298 -23.394 421 HA2 GLY 56 HA2 GLY 56 10.921 -4.944 -25.183 422 HA3 GLY 56 HA1 GLY 56 10.329 -6.159 -24.057 423 H GLY 57 HN GLY 57 8.425 -3.942 -23.025 424 HA2 GLY 57 HA2 GLY 57 6.424 -3.948 -25.241 425 HA3 GLY 57 HA1 GLY 57 5.994 -4.218 -23.554 426 H SER 58 HN SER 58 8.491 -1.955 -23.947 427 HA SER 58 HA SER 58 6.759 0.236 -23.065 428 HB2 SER 58 HB2 SER 58 9.030 1.332 -22.589 429 HB3 SER 58 HB1 SER 58 8.703 -0.147 -21.688 430 HG SER 58 HG SER 58 10.323 0.122 -24.004 431 H THR 59 HN THR 59 5.748 0.505 -25.208 432 HA THR 59 HA THR 59 7.130 2.259 -27.053 433 HB THR 59 HB THR 59 6.499 0.603 -29.049 434 HG1 THR 59 HG1 THR 59 5.585 -0.979 -27.601 435 HG21 THR 59 HG21 THR 59 8.803 1.335 -28.665 436 HG22 THR 59 HG22 THR 59 8.751 -0.378 -29.096 437 HG23 THR 59 HG23 THR 59 8.999 0.104 -27.416 438 H TYR 60 HN TYR 60 5.604 3.702 -27.606 439 HA TYR 60 HA TYR 60 3.227 2.977 -28.963 440 HB2 TYR 60 HB2 TYR 60 2.726 2.727 -26.350 441 HB3 TYR 60 HB1 TYR 60 2.574 4.470 -26.409 442 HD1 TYR 60 HD1 TYR 60 0.760 5.494 -27.906 443 HD2 TYR 60 HD2 TYR 60 0.983 1.297 -27.116 444 HE1 TYR 60 HE1 TYR 60 -1.577 5.230 -28.616 445 HE2 TYR 60 HE2 TYR 60 -1.361 1.044 -27.829 446 HH TYR 60 HH TYR 60 -3.385 2.426 -28.010 447 H TYR 61 HN TYR 61 2.549 4.686 -30.239 448 HA TYR 61 HA TYR 61 2.666 7.408 -29.403 449 HB2 TYR 61 HB2 TYR 61 4.135 8.312 -31.206 450 HB3 TYR 61 HB1 TYR 61 5.019 7.295 -30.082 451 HD1 TYR 61 HD1 TYR 61 6.096 5.248 -30.835 452 HD2 TYR 61 HD2 TYR 61 3.686 7.481 -33.568 453 HE1 TYR 61 HE1 TYR 61 7.000 3.932 -32.708 454 HE2 TYR 61 HE2 TYR 61 4.591 6.166 -35.436 455 HH TYR 61 HH TYR 61 6.496 4.847 -36.006 456 H ALA 62 HN ALA 62 1.489 8.802 -30.790 457 HA ALA 62 HA ALA 62 -0.121 7.578 -32.920 458 HB1 ALA 62 HB1 ALA 62 -0.255 10.365 -31.706 459 HB2 ALA 62 HB2 ALA 62 -1.280 8.998 -31.266 460 HB3 ALA 62 HB3 ALA 62 -1.389 9.695 -32.884 461 H ASP 63 HN ASP 63 -0.381 8.949 -34.958 462 HA ASP 63 HA ASP 63 2.105 9.209 -36.291 463 HB2 ASP 63 HB2 ASP 63 -0.645 10.193 -37.168 464 HB3 ASP 63 HB1 ASP 63 0.750 9.971 -38.216 465 H SER 64 HN SER 64 0.025 11.569 -34.697 466 HA SER 64 HA SER 64 1.119 13.955 -35.804 467 HB2 SER 64 HB2 SER 64 -0.232 13.571 -33.094 468 HB3 SER 64 HB1 SER 64 -0.040 15.099 -33.956 469 HG SER 64 HG SER 64 -2.122 14.184 -34.250 470 H VAL 65 HN VAL 65 2.069 11.887 -33.123 471 HA VAL 65 HA VAL 65 4.232 13.742 -32.308 472 HB VAL 65 HB VAL 65 4.297 12.557 -30.173 473 HG11 VAL 65 HG11 VAL 65 2.717 14.429 -30.342 474 HG12 VAL 65 HG12 VAL 65 2.086 13.199 -29.247 475 HG13 VAL 65 HG13 VAL 65 1.440 13.338 -30.886 476 HG21 VAL 65 HG21 VAL 65 3.738 10.276 -30.875 477 HG22 VAL 65 HG22 VAL 65 2.083 10.761 -31.242 478 HG23 VAL 65 HG23 VAL 65 2.657 10.780 -29.571 479 H LYS 66 HN LYS 66 3.952 11.475 -34.496 480 HA LYS 66 HA LYS 66 5.736 9.364 -33.937 481 HB2 LYS 66 HB2 LYS 66 4.007 9.393 -35.733 482 HB3 LYS 66 HB1 LYS 66 4.934 10.581 -36.622 483 HG2 LYS 66 HG2 LYS 66 6.091 7.852 -36.008 484 HG3 LYS 66 HG1 LYS 66 4.980 8.072 -37.356 485 HD2 LYS 66 HD2 LYS 66 7.672 9.453 -37.003 486 HD3 LYS 66 HD1 LYS 66 7.318 8.126 -38.110 487 HE2 LYS 66 HE2 LYS 66 5.710 9.605 -39.319 488 HE3 LYS 66 HE1 LYS 66 6.152 10.931 -38.236 489 HZ1 LYS 66 HZ1 LYS 66 7.982 9.505 -40.080 490 HZ2 LYS 66 HZ2 LYS 66 8.424 10.751 -39.026 491 HZ3 LYS 66 HZ3 LYS 66 7.358 11.060 -40.302 492 H GLY 67 HN GLY 67 7.878 9.492 -33.590 493 HA2 GLY 67 HA2 GLY 67 10.107 9.784 -34.115 494 HA3 GLY 67 HA1 GLY 67 9.655 10.806 -35.463 495 H ARG 68 HN ARG 68 8.026 12.333 -33.206 496 HA ARG 68 HA ARG 68 10.224 14.215 -32.620 497 HB2 ARG 68 HB2 ARG 68 7.248 14.769 -32.293 498 HB3 ARG 68 HB1 ARG 68 8.571 15.931 -32.420 499 HG2 ARG 68 HG2 ARG 68 8.903 14.966 -34.812 500 HG3 ARG 68 HG1 ARG 68 7.302 14.257 -34.595 501 HD2 ARG 68 HD2 ARG 68 8.056 17.191 -34.626 502 HD3 ARG 68 HD1 ARG 68 7.034 16.328 -35.772 503 HE ARG 68 HE ARG 68 5.911 16.225 -33.164 504 HH11 ARG 68 HH11 ARG 68 6.277 18.342 -35.933 505 HH12 ARG 68 HH12 ARG 68 5.017 19.420 -35.436 506 HH21 ARG 68 HH21 ARG 68 4.227 17.650 -32.527 507 HH22 ARG 68 HH22 ARG 68 3.852 19.023 -33.513 508 H PHE 69 HN PHE 69 7.449 12.597 -31.092 509 HA PHE 69 HA PHE 69 8.551 13.118 -28.408 510 HB2 PHE 69 HB2 PHE 69 5.860 12.003 -29.318 511 HB3 PHE 69 HB1 PHE 69 6.347 12.134 -27.633 512 HD1 PHE 69 HD1 PHE 69 6.492 14.524 -30.565 513 HD2 PHE 69 HD2 PHE 69 5.138 13.838 -26.566 514 HE1 PHE 69 HE1 PHE 69 5.542 16.789 -30.499 515 HE2 PHE 69 HE2 PHE 69 4.197 16.109 -26.511 516 HZ PHE 69 HZ PHE 69 4.394 17.588 -28.467 517 H THR 70 HN THR 70 9.795 11.594 -27.538 518 HA THR 70 HA THR 70 9.584 8.759 -28.389 519 HB THR 70 HB THR 70 12.182 10.225 -27.688 520 HG1 THR 70 HG1 THR 70 11.346 11.011 -29.649 521 HG21 THR 70 HG21 THR 70 11.749 7.496 -28.975 522 HG22 THR 70 HG22 THR 70 12.227 7.764 -27.297 523 HG23 THR 70 HG23 THR 70 13.307 8.242 -28.610 524 H ILE 71 HN ILE 71 9.912 7.244 -26.692 525 HA ILE 71 HA ILE 71 9.932 8.341 -23.948 526 HB ILE 71 HB ILE 71 8.238 6.652 -23.260 527 HG12 ILE 71 HG12 ILE 71 8.509 5.073 -25.258 528 HG13 ILE 71 HG11 ILE 71 6.855 5.403 -24.777 529 HG21 ILE 71 HG21 ILE 71 6.275 7.868 -24.068 530 HG22 ILE 71 HG22 ILE 71 7.262 8.637 -25.315 531 HG23 ILE 71 HG23 ILE 71 7.589 8.951 -23.609 532 HD11 ILE 71 HD11 ILE 71 8.280 6.610 -27.148 533 HD12 ILE 71 HD12 ILE 71 6.607 6.923 -26.680 534 HD13 ILE 71 HD13 ILE 71 7.093 5.306 -27.186 535 H SER 72 HN SER 72 10.920 7.150 -22.409 536 HA SER 72 HA SER 72 12.092 4.534 -22.943 537 HB2 SER 72 HB2 SER 72 13.843 6.966 -22.338 538 HB3 SER 72 HB1 SER 72 14.404 5.300 -22.424 539 HG SER 72 HG SER 72 13.175 5.677 -24.681 540 H ARG 73 HN ARG 73 12.321 3.375 -21.047 541 HA ARG 73 HA ARG 73 12.057 4.788 -18.443 542 HB2 ARG 73 HB2 ARG 73 9.978 3.505 -19.028 543 HB3 ARG 73 HB1 ARG 73 10.943 2.041 -19.170 544 HG2 ARG 73 HG2 ARG 73 11.600 2.455 -16.687 545 HG3 ARG 73 HG1 ARG 73 10.264 3.609 -16.663 546 HD2 ARG 73 HD2 ARG 73 9.490 1.466 -15.806 547 HD3 ARG 73 HD1 ARG 73 8.728 1.763 -17.370 548 HE ARG 73 HE ARG 73 10.294 0.196 -18.374 549 HH11 ARG 73 HH11 ARG 73 10.057 0.043 -14.859 550 HH12 ARG 73 HH12 ARG 73 10.740 -1.544 -14.764 551 HH21 ARG 73 HH21 ARG 73 11.220 -1.890 -18.230 552 HH22 ARG 73 HH22 ARG 73 11.397 -2.648 -16.680 553 H ASP 74 HN ASP 74 13.742 4.383 -17.093 554 HA ASP 74 HA ASP 74 15.504 2.060 -17.626 555 HB2 ASP 74 HB2 ASP 74 16.053 4.563 -15.977 556 HB3 ASP 74 HB1 ASP 74 17.196 3.257 -16.259 557 H ASN 75 HN ASN 75 14.994 0.365 -16.460 558 HA ASN 75 HA ASN 75 13.176 0.358 -14.262 559 HB2 ASN 75 HB2 ASN 75 13.394 -1.447 -16.023 560 HB3 ASN 75 HB1 ASN 75 14.932 -1.908 -15.313 561 HD21 ASN 75 HD21 ASN 75 14.261 -3.988 -14.853 562 HD22 ASN 75 HD22 ASN 75 13.104 -4.358 -13.623 563 H ALA 76 HN ALA 76 16.602 0.648 -14.451 564 HA ALA 76 HA ALA 76 17.610 -0.491 -12.132 565 HB1 ALA 76 HB1 ALA 76 18.470 2.130 -13.412 566 HB2 ALA 76 HB2 ALA 76 18.995 0.520 -13.903 567 HB3 ALA 76 HB3 ALA 76 19.445 1.142 -12.316 568 H LYS 77 HN LYS 77 16.111 2.711 -12.541 569 HA LYS 77 HA LYS 77 15.748 2.879 -9.606 570 HB2 LYS 77 HB2 LYS 77 15.896 5.281 -9.691 571 HB3 LYS 77 HB1 LYS 77 17.339 4.603 -10.421 572 HG2 LYS 77 HG2 LYS 77 15.008 5.600 -12.073 573 HG3 LYS 77 HG1 LYS 77 16.296 6.667 -11.512 574 HD2 LYS 77 HD2 LYS 77 17.953 5.237 -12.720 575 HD3 LYS 77 HD1 LYS 77 16.617 4.257 -13.339 576 HE2 LYS 77 HE2 LYS 77 17.343 5.904 -15.006 577 HE3 LYS 77 HE1 LYS 77 15.695 6.234 -14.480 578 HZ1 LYS 77 HZ1 LYS 77 18.093 7.627 -13.444 579 HZ2 LYS 77 HZ2 LYS 77 16.475 8.010 -13.116 580 HZ3 LYS 77 HZ3 LYS 77 17.102 8.212 -14.675 581 H ASN 78 HN ASN 78 14.149 2.267 -12.390 582 HA ASN 78 HA ASN 78 12.136 2.557 -13.337 583 HB2 ASN 78 HB2 ASN 78 11.390 2.350 -10.418 584 HB3 ASN 78 HB1 ASN 78 10.139 2.581 -11.635 585 HD21 ASN 78 HD21 ASN 78 12.621 0.416 -10.462 586 HD22 ASN 78 HD22 ASN 78 12.070 -0.985 -11.305 587 H THR 79 HN THR 79 13.111 4.630 -13.961 588 HA THR 79 HA THR 79 11.165 6.781 -13.394 589 HB THR 79 HB THR 79 14.136 7.137 -13.989 590 HG1 THR 79 HG1 THR 79 12.806 6.801 -11.700 591 HG21 THR 79 HG21 THR 79 12.811 8.941 -15.051 592 HG22 THR 79 HG22 THR 79 13.727 9.560 -13.675 593 HG23 THR 79 HG23 THR 79 11.998 9.252 -13.515 594 H VAL 80 HN VAL 80 10.214 7.590 -15.120 595 HA VAL 80 HA VAL 80 10.702 6.401 -17.763 596 HB VAL 80 HB VAL 80 8.235 7.894 -16.755 597 HG11 VAL 80 HG11 VAL 80 8.574 6.040 -19.130 598 HG12 VAL 80 HG12 VAL 80 8.386 7.793 -19.201 599 HG13 VAL 80 HG13 VAL 80 7.059 6.786 -18.619 600 HG21 VAL 80 HG21 VAL 80 7.173 5.693 -16.378 601 HG22 VAL 80 HG22 VAL 80 8.579 5.920 -15.335 602 HG23 VAL 80 HG23 VAL 80 8.697 4.891 -16.765 603 H TYR 81 HN TYR 81 10.671 7.826 -19.615 604 HA TYR 81 HA TYR 81 11.126 10.695 -19.101 605 HB2 TYR 81 HB2 TYR 81 12.925 8.861 -20.761 606 HB3 TYR 81 HB1 TYR 81 13.041 10.618 -20.764 607 HD1 TYR 81 HD1 TYR 81 14.032 11.823 -18.865 608 HD2 TYR 81 HD2 TYR 81 13.663 7.564 -18.746 609 HE1 TYR 81 HE1 TYR 81 15.530 11.745 -16.919 610 HE2 TYR 81 HE2 TYR 81 15.162 7.489 -16.797 611 HH TYR 81 HH TYR 81 16.017 10.283 -15.025 612 H LEU 82 HN LEU 82 10.330 12.046 -20.644 613 HA LEU 82 HA LEU 82 9.237 10.935 -23.165 614 HB2 LEU 82 HB2 LEU 82 7.365 11.402 -21.640 615 HB3 LEU 82 HB1 LEU 82 7.976 13.017 -21.331 616 HG LEU 82 HG LEU 82 7.520 13.614 -23.720 617 HD11 LEU 82 HD11 LEU 82 7.657 11.412 -24.756 618 HD12 LEU 82 HD12 LEU 82 6.118 12.188 -25.121 619 HD13 LEU 82 HD13 LEU 82 6.190 10.904 -23.911 620 HD21 LEU 82 HD21 LEU 82 5.085 13.807 -23.508 621 HD22 LEU 82 HD22 LEU 82 5.886 14.181 -21.984 622 HD23 LEU 82 HD23 LEU 82 5.091 12.619 -22.200 623 H GLN 83 HN GLN 83 10.893 11.630 -24.445 624 HA GLN 83 HA GLN 83 11.921 14.341 -24.345 625 HB2 GLN 83 HB2 GLN 83 13.375 12.374 -24.899 626 HB3 GLN 83 HB1 GLN 83 12.438 12.101 -26.359 627 HG2 GLN 83 HG2 GLN 83 14.577 13.216 -26.825 628 HG3 GLN 83 HG1 GLN 83 13.204 14.219 -27.290 629 HE21 GLN 83 HE21 GLN 83 12.832 16.160 -26.182 630 HE22 GLN 83 HE22 GLN 83 13.976 16.848 -25.081 631 H MET 84 HN MET 84 10.316 15.733 -24.859 632 HA MET 84 HA MET 84 8.559 15.375 -27.177 633 HB2 MET 84 HB2 MET 84 8.730 17.570 -25.050 634 HB3 MET 84 HB1 MET 84 7.528 17.528 -26.332 635 HG2 MET 84 HG2 MET 84 6.549 15.518 -25.401 636 HG3 MET 84 HG1 MET 84 7.825 15.422 -24.189 637 HE1 MET 84 HE1 MET 84 4.879 17.786 -25.506 638 HE2 MET 84 HE2 MET 84 6.194 18.929 -25.225 639 HE3 MET 84 HE3 MET 84 4.778 18.937 -24.176 640 H ASN 85 HN ASN 85 9.564 15.884 -29.093 641 HA ASN 85 HA ASN 85 11.203 18.354 -29.265 642 HB2 ASN 85 HB2 ASN 85 11.157 15.908 -31.082 643 HB3 ASN 85 HB1 ASN 85 12.022 17.392 -31.468 644 HD21 ASN 85 HD21 ASN 85 14.000 16.310 -31.514 645 HD22 ASN 85 HD22 ASN 85 14.795 15.787 -30.075 646 H SER 86 HN SER 86 10.909 19.750 -31.025 647 HA SER 86 HA SER 86 9.741 21.151 -32.327 648 HB2 SER 86 HB2 SER 86 9.824 19.214 -33.902 649 HB3 SER 86 HB1 SER 86 8.287 18.639 -33.267 650 HG SER 86 HG SER 86 7.574 20.904 -33.920 651 H LEU 87 HN LEU 87 9.023 21.658 -30.045 652 HA LEU 87 HA LEU 87 6.405 21.079 -29.132 653 HB2 LEU 87 HB2 LEU 87 8.239 23.391 -28.403 654 HB3 LEU 87 HB1 LEU 87 6.813 22.904 -27.491 655 HG LEU 87 HG LEU 87 9.329 21.226 -27.884 656 HD11 LEU 87 HD11 LEU 87 9.728 21.555 -25.499 657 HD12 LEU 87 HD12 LEU 87 8.325 22.623 -25.393 658 HD13 LEU 87 HD13 LEU 87 9.723 23.092 -26.365 659 HD21 LEU 87 HD21 LEU 87 7.353 19.799 -27.746 660 HD22 LEU 87 HD22 LEU 87 6.850 20.600 -26.254 661 HD23 LEU 87 HD23 LEU 87 8.339 19.652 -26.294 662 H LYS 88 HN LYS 88 4.584 22.486 -28.992 663 HA LYS 88 HA LYS 88 4.400 24.585 -31.091 664 HB2 LYS 88 HB2 LYS 88 2.173 22.715 -30.148 665 HB3 LYS 88 HB1 LYS 88 2.063 23.905 -31.444 666 HG2 LYS 88 HG2 LYS 88 3.602 22.638 -32.819 667 HG3 LYS 88 HG1 LYS 88 3.917 21.508 -31.502 668 HD2 LYS 88 HD2 LYS 88 1.188 21.866 -32.804 669 HD3 LYS 88 HD1 LYS 88 2.369 20.661 -33.315 670 HE2 LYS 88 HE2 LYS 88 0.783 19.559 -31.892 671 HE3 LYS 88 HE1 LYS 88 2.284 19.693 -30.982 672 HZ1 LYS 88 HZ1 LYS 88 0.007 21.577 -30.684 673 HZ2 LYS 88 HZ2 LYS 88 1.376 21.437 -29.685 674 HZ3 LYS 88 HZ3 LYS 88 0.226 20.200 -29.718 675 HA PRO 89 HA PRO 89 3.110 27.287 -27.708 676 HB2 PRO 89 HB2 PRO 89 1.274 28.918 -29.014 677 HB3 PRO 89 HB1 PRO 89 3.027 29.111 -29.138 678 HG2 PRO 89 HG2 PRO 89 1.131 27.712 -31.019 679 HG3 PRO 89 HG1 PRO 89 2.463 28.825 -31.399 680 HD2 PRO 89 HD2 PRO 89 2.767 26.165 -31.659 681 HD3 PRO 89 HD1 PRO 89 4.103 27.180 -31.063 682 H GLU 90 HN GLU 90 0.898 25.297 -29.484 683 HA GLU 90 HA GLU 90 -1.486 25.504 -27.968 684 HB2 GLU 90 HB2 GLU 90 -0.416 23.082 -29.473 685 HB3 GLU 90 HB1 GLU 90 -2.098 23.363 -29.020 686 HG2 GLU 90 HG2 GLU 90 -2.166 25.308 -30.537 687 HG3 GLU 90 HG1 GLU 90 -0.486 25.018 -30.985 688 H ASP 91 HN ASP 91 1.543 23.909 -27.361 689 HA ASP 91 HA ASP 91 0.545 22.002 -25.410 690 HB2 ASP 91 HB2 ASP 91 3.386 22.685 -26.277 691 HB3 ASP 91 HB1 ASP 91 2.977 21.402 -25.143 692 H THR 92 HN THR 92 0.491 25.131 -24.986 693 HA THR 92 HA THR 92 1.473 25.216 -22.267 694 HB THR 92 HB THR 92 -0.522 26.989 -23.745 695 HG1 THR 92 HG1 THR 92 1.293 28.447 -23.644 696 HG21 THR 92 HG21 THR 92 -0.236 28.597 -21.850 697 HG22 THR 92 HG22 THR 92 0.655 27.359 -20.963 698 HG23 THR 92 HG23 THR 92 -1.049 27.114 -21.348 699 H ALA 93 HN ALA 93 0.706 23.422 -21.238 700 HA ALA 93 HA ALA 93 -2.043 23.074 -20.500 701 HB1 ALA 93 HB1 ALA 93 -2.159 22.309 -22.849 702 HB2 ALA 93 HB2 ALA 93 -2.421 20.963 -21.744 703 HB3 ALA 93 HB3 ALA 93 -0.862 21.148 -22.548 704 H VAL 94 HN VAL 94 -2.157 20.541 -19.702 705 HA VAL 94 HA VAL 94 0.215 20.058 -18.025 706 HB VAL 94 HB VAL 94 -1.702 20.562 -16.636 707 HG11 VAL 94 HG11 VAL 94 -3.557 20.073 -18.161 708 HG12 VAL 94 HG12 VAL 94 -3.801 19.274 -16.605 709 HG13 VAL 94 HG13 VAL 94 -3.254 18.342 -18.001 710 HG21 VAL 94 HG21 VAL 94 -1.153 17.577 -16.545 711 HG22 VAL 94 HG22 VAL 94 -1.826 18.539 -15.226 712 HG23 VAL 94 HG23 VAL 94 -0.178 18.837 -15.785 713 H TYR 95 HN TYR 95 1.445 18.638 -19.102 714 HA TYR 95 HA TYR 95 0.374 16.189 -20.261 715 HB2 TYR 95 HB2 TYR 95 3.108 17.447 -20.043 716 HB3 TYR 95 HB1 TYR 95 3.043 15.698 -20.185 717 HD1 TYR 95 HD1 TYR 95 1.582 18.750 -21.874 718 HD2 TYR 95 HD2 TYR 95 3.128 14.790 -22.357 719 HE1 TYR 95 HE1 TYR 95 1.354 18.948 -24.319 720 HE2 TYR 95 HE2 TYR 95 2.905 14.997 -24.788 721 HH TYR 95 HH TYR 95 2.269 17.951 -26.359 722 H LEU 96 HN LEU 96 -0.232 14.590 -18.917 723 HA LEU 96 HA LEU 96 1.148 14.268 -16.336 724 HB2 LEU 96 HB2 LEU 96 -1.040 13.196 -15.549 725 HB3 LEU 96 HB1 LEU 96 -0.999 14.930 -15.762 726 HG LEU 96 HG LEU 96 -2.150 14.517 -18.056 727 HD11 LEU 96 HD11 LEU 96 -1.823 12.112 -18.242 728 HD12 LEU 96 HD12 LEU 96 -3.539 12.507 -18.229 729 HD13 LEU 96 HD13 LEU 96 -2.775 11.847 -16.781 730 HD21 LEU 96 HD21 LEU 96 -3.281 15.565 -16.161 731 HD22 LEU 96 HD22 LEU 96 -3.683 13.980 -15.494 732 HD23 LEU 96 HD23 LEU 96 -4.384 14.496 -17.031 733 H CYS 97 HN CYS 97 1.990 12.396 -15.823 734 HA CYS 97 HA CYS 97 1.859 10.121 -17.648 735 HB2 CYS 97 HB2 CYS 97 4.086 10.964 -16.734 736 HB3 CYS 97 HB1 CYS 97 3.571 10.408 -15.144 737 HG CYS 97 HG CYS 97 3.609 8.253 -17.773 738 H ALA 98 HN ALA 98 1.475 7.999 -16.665 739 HA ALA 98 HA ALA 98 -0.324 7.930 -14.358 740 HB1 ALA 98 HB1 ALA 98 -1.251 7.218 -17.171 741 HB2 ALA 98 HB2 ALA 98 -1.721 8.664 -16.278 742 HB3 ALA 98 HB3 ALA 98 -2.198 7.074 -15.686 743 H ALA 99 HN ALA 99 -0.855 5.708 -13.754 744 HA ALA 99 HA ALA 99 0.492 3.490 -15.051 745 HB1 ALA 99 HB1 ALA 99 1.410 4.385 -12.293 746 HB2 ALA 99 HB2 ALA 99 2.347 4.507 -13.783 747 HB3 ALA 99 HB3 ALA 99 1.931 2.922 -13.134 748 H GLY 100 HN GLY 100 -0.057 1.424 -14.120 749 HA2 GLY 100 HA2 GLY 100 -1.234 0.694 -11.819 750 HA3 GLY 100 HA1 GLY 100 -2.619 1.302 -12.724 751 H VAL 101 HN VAL 101 -2.049 -1.432 -11.798 752 HA VAL 101 HA VAL 101 -1.817 -2.919 -14.367 753 HB VAL 101 HB VAL 101 -1.409 -4.118 -11.583 754 HG11 VAL 101 HG11 VAL 101 -0.472 -5.096 -14.315 755 HG12 VAL 101 HG12 VAL 101 -1.807 -5.769 -13.379 756 HG13 VAL 101 HG13 VAL 101 -0.157 -5.891 -12.769 757 HG21 VAL 101 HG21 VAL 101 0.236 -2.310 -11.817 758 HG22 VAL 101 HG22 VAL 101 0.771 -2.964 -13.367 759 HG23 VAL 101 HG23 VAL 101 1.035 -3.883 -11.882 760 H TRP 102 HN TRP 102 -4.172 -1.571 -12.970 761 HA TRP 102 HA TRP 102 -6.024 -3.886 -12.770 762 HB2 TRP 102 HB2 TRP 102 -5.639 -2.345 -10.691 763 HB3 TRP 102 HB1 TRP 102 -6.515 -1.113 -11.581 764 HD1 TRP 102 HD1 TRP 102 -7.040 -4.163 -9.413 765 HE1 TRP 102 HE1 TRP 102 -9.548 -4.555 -9.040 766 HE3 TRP 102 HE3 TRP 102 -8.943 -0.891 -12.900 767 HZ2 TRP 102 HZ2 TRP 102 -12.002 -3.656 -10.084 768 HZ3 TRP 102 HZ3 TRP 102 -11.391 -0.729 -13.140 769 HH2 TRP 102 HH2 TRP 102 -12.889 -2.084 -11.758 770 H ARG 103 HN ARG 103 -6.882 -4.056 -14.773 771 HA ARG 103 HA ARG 103 -7.987 -1.645 -16.135 772 HB2 ARG 103 HB2 ARG 103 -6.726 -4.107 -17.466 773 HB3 ARG 103 HB1 ARG 103 -7.353 -2.679 -18.292 774 HG2 ARG 103 HG2 ARG 103 -5.561 -1.301 -17.464 775 HG3 ARG 103 HG1 ARG 103 -5.035 -2.552 -16.334 776 HD2 ARG 103 HD2 ARG 103 -4.893 -2.736 -19.360 777 HD3 ARG 103 HD1 ARG 103 -3.541 -2.366 -18.291 778 HE ARG 103 HE ARG 103 -4.883 -4.876 -17.736 779 HH11 ARG 103 HH11 ARG 103 -2.225 -3.366 -19.508 780 HH12 ARG 103 HH12 ARG 103 -1.382 -4.862 -19.721 781 HH21 ARG 103 HH21 ARG 103 -3.754 -6.800 -18.032 782 HH22 ARG 103 HH22 ARG 103 -2.251 -6.808 -18.894 783 H SER 104 HN SER 104 -10.079 -1.887 -16.876 784 HA SER 104 HA SER 104 -11.579 -4.292 -16.146 785 HB2 SER 104 HB2 SER 104 -12.550 -1.636 -17.281 786 HB3 SER 104 HB1 SER 104 -13.567 -2.916 -16.612 787 HG SER 104 HG SER 104 -12.876 -2.453 -14.614 788 H SER 105 HN SER 105 -10.683 -2.454 -19.025 789 HA SER 105 HA SER 105 -12.378 -3.891 -20.859 790 HB2 SER 105 HB2 SER 105 -11.833 -1.482 -21.145 791 HB3 SER 105 HB1 SER 105 -10.137 -1.890 -21.403 792 HG SER 105 HG SER 105 -12.324 -2.148 -23.091 793 H GLY 106 HN GLY 106 -9.124 -4.242 -19.694 794 HA2 GLY 106 HA2 GLY 106 -7.730 -6.114 -20.051 795 HA3 GLY 106 HA1 GLY 106 -8.582 -6.469 -21.545 796 H TRP 107 HN TRP 107 -8.440 -3.671 -22.457 797 HA TRP 107 HA TRP 107 -5.913 -3.587 -23.764 798 HB2 TRP 107 HB2 TRP 107 -8.081 -1.459 -23.433 799 HB3 TRP 107 HB1 TRP 107 -6.654 -1.247 -24.445 800 HD1 TRP 107 HD1 TRP 107 -9.630 -3.762 -24.197 801 HE1 TRP 107 HE1 TRP 107 -10.283 -4.455 -26.581 802 HE3 TRP 107 HE3 TRP 107 -6.063 -1.185 -26.809 803 HZ2 TRP 107 HZ2 TRP 107 -9.424 -3.986 -29.214 804 HZ3 TRP 107 HZ3 TRP 107 -6.052 -1.357 -29.267 805 HH2 TRP 107 HH2 TRP 107 -7.700 -2.731 -30.447 806 H ASP 108 HN ASP 108 -4.124 -2.250 -23.392 807 HA ASP 108 HA ASP 108 -3.411 -1.979 -20.660 808 HB2 ASP 108 HB2 ASP 108 -1.841 -2.532 -22.589 809 HB3 ASP 108 HB1 ASP 108 -1.897 -0.830 -23.040 810 H THR 109 HN THR 109 -4.433 -0.506 -19.495 811 HA THR 109 HA THR 109 -4.496 2.340 -20.246 812 HB THR 109 HB THR 109 -6.852 2.406 -19.197 813 HG1 THR 109 HG1 THR 109 -6.575 -0.416 -19.522 814 HG21 THR 109 HG21 THR 109 -6.601 0.739 -21.737 815 HG22 THR 109 HG22 THR 109 -6.570 2.504 -21.664 816 HG23 THR 109 HG23 THR 109 -8.033 1.630 -21.209 817 HA PRO 110 HA PRO 110 -3.070 2.730 -15.992 818 HB2 PRO 110 HB2 PRO 110 -3.508 5.344 -15.502 819 HB3 PRO 110 HB1 PRO 110 -2.342 4.829 -16.727 820 HG2 PRO 110 HG2 PRO 110 -5.193 5.744 -17.109 821 HG3 PRO 110 HG1 PRO 110 -3.734 6.255 -17.988 822 HD2 PRO 110 HD2 PRO 110 -5.450 4.346 -18.956 823 HD3 PRO 110 HD1 PRO 110 -3.709 4.344 -19.317 824 H ASP 111 HN ASP 111 -3.796 2.837 -13.853 825 HA ASP 111 HA ASP 111 -6.724 2.936 -13.414 826 HB2 ASP 111 HB2 ASP 111 -5.461 0.855 -12.703 827 HB3 ASP 111 HB1 ASP 111 -4.570 1.837 -11.542 828 H TYR 112 HN TYR 112 -3.633 4.193 -12.298 829 HA TYR 112 HA TYR 112 -4.977 6.478 -10.974 830 HB2 TYR 112 HB2 TYR 112 -2.331 5.155 -10.184 831 HB3 TYR 112 HB1 TYR 112 -3.019 6.589 -9.424 832 HD1 TYR 112 HD1 TYR 112 -2.616 3.157 -8.992 833 HD2 TYR 112 HD2 TYR 112 -5.606 6.192 -8.639 834 HE1 TYR 112 HE1 TYR 112 -3.862 1.751 -7.409 835 HE2 TYR 112 HE2 TYR 112 -6.847 4.788 -7.056 836 HH TYR 112 HH TYR 112 -7.055 2.360 -6.547 837 H TRP 113 HN TRP 113 -3.678 8.425 -10.947 838 HA TRP 113 HA TRP 113 -1.769 8.758 -13.190 839 HB2 TRP 113 HB2 TRP 113 -3.874 10.710 -12.127 840 HB3 TRP 113 HB1 TRP 113 -2.610 11.167 -13.268 841 HD1 TRP 113 HD1 TRP 113 -2.907 10.449 -15.790 842 HE1 TRP 113 HE1 TRP 113 -4.849 9.455 -17.134 843 HE3 TRP 113 HE3 TRP 113 -5.959 9.060 -11.924 844 HZ2 TRP 113 HZ2 TRP 113 -7.333 8.244 -16.653 845 HZ3 TRP 113 HZ3 TRP 113 -8.114 7.987 -12.456 846 HH2 TRP 113 HH2 TRP 113 -8.787 7.589 -14.777 847 H GLY 114 HN GLY 114 -0.114 10.438 -12.795 848 HA2 GLY 114 HA2 GLY 114 1.105 10.027 -10.212 849 HA3 GLY 114 HA1 GLY 114 1.764 10.936 -11.560 850 H GLN 115 HN GLN 115 0.892 13.089 -11.939 851 HA GLN 115 HA GLN 115 -0.489 14.496 -9.831 852 HB2 GLN 115 HB2 GLN 115 1.393 16.119 -9.393 853 HB3 GLN 115 HB1 GLN 115 1.717 14.494 -8.804 854 HG2 GLN 115 HG2 GLN 115 3.129 14.061 -10.792 855 HG3 GLN 115 HG1 GLN 115 2.832 15.703 -11.354 856 HE21 GLN 115 HE21 GLN 115 3.882 17.423 -10.321 857 HE22 GLN 115 HE22 GLN 115 5.201 17.176 -9.237 858 H GLY 116 HN GLY 116 1.399 14.603 -12.811 859 HA2 GLY 116 HA2 GLY 116 0.714 15.655 -14.807 860 HA3 GLY 116 HA1 GLY 116 -0.300 16.751 -13.880 861 H THR 117 HN THR 117 2.586 16.491 -15.544 862 HA THR 117 HA THR 117 3.922 18.654 -14.071 863 HB THR 117 HB THR 117 5.423 16.860 -14.615 864 HG1 THR 117 HG1 THR 117 6.185 18.663 -16.614 865 HG21 THR 117 HG21 THR 117 4.680 17.157 -17.543 866 HG22 THR 117 HG22 THR 117 4.241 15.806 -16.496 867 HG23 THR 117 HG23 THR 117 5.936 16.095 -16.896 868 H GLN 118 HN GLN 118 3.291 20.601 -14.534 869 HA GLN 118 HA GLN 118 1.763 21.342 -16.823 870 HB2 GLN 118 HB2 GLN 118 2.897 22.956 -14.511 871 HB3 GLN 118 HB1 GLN 118 1.874 23.663 -15.757 872 HG2 GLN 118 HG2 GLN 118 0.914 21.282 -14.163 873 HG3 GLN 118 HG1 GLN 118 0.823 22.906 -13.491 874 HE21 GLN 118 HE21 GLN 118 0.303 22.472 -16.964 875 HE22 GLN 118 HE22 GLN 118 -1.399 22.708 -16.916 876 H VAL 119 HN VAL 119 2.741 21.465 -18.732 877 HA VAL 119 HA VAL 119 5.318 22.875 -19.050 878 HB VAL 119 HB VAL 119 5.330 21.926 -21.367 879 HG11 VAL 119 HG11 VAL 119 4.958 19.812 -19.202 880 HG12 VAL 119 HG12 VAL 119 6.452 20.685 -19.549 881 HG13 VAL 119 HG13 VAL 119 5.787 19.572 -20.744 882 HG21 VAL 119 HG21 VAL 119 3.702 20.175 -22.042 883 HG22 VAL 119 HG22 VAL 119 2.888 21.713 -21.753 884 HG23 VAL 119 HG23 VAL 119 2.798 20.431 -20.544 885 H THR 120 HN THR 120 5.286 24.945 -19.769 886 HA THR 120 HA THR 120 2.826 25.997 -21.072 887 HB THR 120 HB THR 120 4.753 27.527 -19.257 888 HG1 THR 120 HG1 THR 120 2.706 25.863 -18.643 889 HG21 THR 120 HG21 THR 120 2.025 28.324 -20.337 890 HG22 THR 120 HG22 THR 120 3.568 28.992 -20.868 891 HG23 THR 120 HG23 THR 120 3.003 29.268 -19.218 892 H VAL 121 HN VAL 121 3.407 26.069 -23.229 893 HA VAL 121 HA VAL 121 6.178 26.701 -23.930 894 HB VAL 121 HB VAL 121 3.865 25.912 -25.743 895 HG11 VAL 121 HG11 VAL 121 5.568 27.199 -26.968 896 HG12 VAL 121 HG12 VAL 121 5.610 25.503 -27.457 897 HG13 VAL 121 HG13 VAL 121 6.837 26.134 -26.354 898 HG21 VAL 121 HG21 VAL 121 6.169 24.233 -24.673 899 HG22 VAL 121 HG22 VAL 121 4.956 23.688 -25.834 900 HG23 VAL 121 HG23 VAL 121 4.478 24.097 -24.185 901 H SER 122 HN SER 122 6.555 28.908 -23.646 902 HA SER 122 HA SER 122 5.019 31.022 -24.671 903 HB2 SER 122 HB2 SER 122 8.030 30.671 -24.410 904 HB3 SER 122 HB1 SER 122 7.302 32.171 -24.979 905 HG SER 122 HG SER 122 7.379 32.521 -22.890 906 H SER 123 HN SER 123 4.761 31.914 -26.692 907 HA SER 123 HA SER 123 5.252 30.280 -29.005 908 HB2 SER 123 HB2 SER 123 4.291 33.169 -28.854 909 HB3 SER 123 HB1 SER 123 4.139 32.087 -30.240 910 HG SER 123 HG SER 123 2.978 31.612 -27.685 911 H LEU 124 HN LEU 124 7.458 30.034 -29.149 912 HA LEU 124 HA LEU 124 9.473 30.290 -30.076 913 HB2 LEU 124 HB2 LEU 124 8.396 32.963 -31.004 914 HB3 LEU 124 HB1 LEU 124 10.017 32.432 -31.388 915 HG LEU 124 HG LEU 124 8.713 32.015 -33.326 916 HD11 LEU 124 HD11 LEU 124 10.256 30.210 -32.799 917 HD12 LEU 124 HD12 LEU 124 8.839 29.609 -33.655 918 HD13 LEU 124 HD13 LEU 124 8.990 29.354 -31.913 919 HD21 LEU 124 HD21 LEU 124 6.622 30.752 -33.411 920 HD22 LEU 124 HD22 LEU 124 6.468 32.174 -32.381 921 HD23 LEU 124 HD23 LEU 124 6.639 30.575 -31.652 922 H GLU 125 HN GLU 125 8.392 32.540 -27.704 923 HA GLU 125 HA GLU 125 10.877 33.912 -27.231 924 HB2 GLU 125 HB2 GLU 125 8.348 33.778 -25.519 925 HB3 GLU 125 HB1 GLU 125 9.661 34.943 -25.343 926 HG2 GLU 125 HG2 GLU 125 9.132 35.884 -27.559 927 HG3 GLU 125 HG1 GLU 125 7.838 34.705 -27.760 928 H HIS 126 HN HIS 126 12.218 33.675 -25.412 929 HA HIS 126 HA HIS 126 12.349 30.909 -24.384 930 HB2 HIS 126 HB2 HIS 126 14.489 33.073 -24.659 931 HB3 HIS 126 HB1 HIS 126 14.772 31.476 -23.961 932 HD1 HIS 126 HD1 HIS 126 13.578 32.982 -27.255 933 HD2 HIS 126 HD2 HIS 126 15.511 29.603 -25.807 934 HE1 HIS 126 HE1 HIS 126 14.233 31.673 -29.283 935 HE2 HIS 126 HE2 HIS 126 15.230 29.545 -28.378 936 H HIS 127 HN HIS 127 12.640 30.481 -22.213 937 HA HIS 127 HA HIS 127 11.661 32.437 -20.308 938 HB2 HIS 127 HB2 HIS 127 10.821 30.138 -20.140 939 HB3 HIS 127 HB1 HIS 127 12.458 29.519 -19.961 940 HD1 HIS 127 HD1 HIS 127 13.338 29.333 -17.621 941 HD2 HIS 127 HD2 HIS 127 9.942 31.700 -17.842 942 HE1 HIS 127 HE1 HIS 127 12.749 29.893 -15.241 943 HE2 HIS 127 HE2 HIS 127 10.556 31.110 -15.409 944 H HIS 128 HN HIS 128 13.253 33.952 -20.054 945 HA HIS 128 HA HIS 128 15.971 33.312 -19.329 946 HB2 HIS 128 HB2 HIS 128 16.195 35.769 -18.865 947 HB3 HIS 128 HB1 HIS 128 15.566 35.431 -20.467 948 HD1 HIS 128 HD1 HIS 128 14.861 37.351 -17.441 949 HD2 HIS 128 HD2 HIS 128 12.687 35.939 -20.686 950 HE1 HIS 128 HE1 HIS 128 12.715 38.654 -17.427 951 HE2 HIS 128 HE2 HIS 128 11.344 37.635 -19.276 952 H HIS 129 HN HIS 129 16.405 32.383 -17.446 953 HA HIS 129 HA HIS 129 14.710 32.351 -15.163 954 HB2 HIS 129 HB2 HIS 129 17.556 31.412 -15.624 955 HB3 HIS 129 HB1 HIS 129 16.800 31.283 -14.041 956 HD1 HIS 129 HD1 HIS 129 15.054 29.471 -13.693 957 HD2 HIS 129 HD2 HIS 129 16.525 29.618 -17.583 958 HE1 HIS 129 HE1 HIS 129 14.274 27.349 -14.785 959 HE2 HIS 129 HE2 HIS 129 15.268 27.402 -17.103 960 H HIS 130 HN HIS 130 14.638 33.632 -13.456 961 HA HIS 130 HA HIS 130 16.946 35.321 -12.720 962 HB2 HIS 130 HB2 HIS 130 15.259 36.831 -13.692 963 HB3 HIS 130 HB1 HIS 130 14.002 36.154 -12.658 964 HD1 HIS 130 HD1 HIS 130 13.500 37.651 -10.742 965 HD2 HIS 130 HD2 HIS 130 17.481 37.963 -11.895 966 HE1 HIS 130 HE1 HIS 130 14.519 39.334 -9.183 967 HE2 HIS 130 HE2 HIS 130 16.960 39.402 -9.805 968 H HIS 131 HN HIS 131 17.526 35.062 -10.641 969 HA HIS 131 HA HIS 131 15.971 33.289 -8.896 970 HB2 HIS 131 HB2 HIS 131 18.797 34.400 -8.556 971 HB3 HIS 131 HB1 HIS 131 18.036 33.199 -7.517 972 HD1 HIS 131 HD1 HIS 131 18.099 30.768 -8.289 973 HD2 HIS 131 HD2 HIS 131 19.481 33.417 -11.177 974 HE1 HIS 131 HE1 HIS 131 19.156 29.338 -10.065 975 HE2 HIS 131 HE2 HIS 131 20.125 30.971 -11.708 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 -2.221 -0.281 -0.613 2 H2 MET 1 HT2 MET 1 -3.062 1.168 -0.836 3 H3 MET 1 HT3 MET 1 -1.487 1.195 -0.224 4 HA MET 1 HA MET 1 -0.602 0.382 -2.265 5 HB2 MET 1 HB2 MET 1 -2.604 -0.990 -2.896 6 HB3 MET 1 HB1 MET 1 -3.477 0.483 -3.288 7 HG2 MET 1 HG2 MET 1 -1.913 0.960 -5.101 8 HG3 MET 1 HG1 MET 1 -0.962 -0.464 -4.686 9 HE1 MET 1 HE1 MET 1 -3.344 -2.592 -4.037 10 HE2 MET 1 HE2 MET 1 -1.907 -2.996 -4.979 11 HE3 MET 1 HE3 MET 1 -3.515 -3.351 -5.616 12 H GLN 2 HN GLN 2 0.333 2.365 -1.801 13 HA GLN 2 HA GLN 2 -0.894 4.816 -2.895 14 HB2 GLN 2 HB2 GLN 2 1.534 4.392 -1.098 15 HB3 GLN 2 HB1 GLN 2 1.076 5.961 -1.758 16 HG2 GLN 2 HG2 GLN 2 -0.587 4.262 0.122 17 HG3 GLN 2 HG1 GLN 2 0.330 5.696 0.567 18 HE21 GLN 2 HE21 GLN 2 -0.400 7.758 -0.186 19 HE22 GLN 2 HE22 GLN 2 -2.037 7.999 -0.683 20 H LEU 3 HN LEU 3 -0.649 4.189 -5.085 21 HA LEU 3 HA LEU 3 1.943 3.705 -6.253 22 HB2 LEU 3 HB2 LEU 3 -0.474 3.070 -7.162 23 HB3 LEU 3 HB1 LEU 3 -0.469 4.681 -7.832 24 HG LEU 3 HG LEU 3 0.137 3.017 -9.527 25 HD11 LEU 3 HD11 LEU 3 1.126 5.234 -9.764 26 HD12 LEU 3 HD12 LEU 3 2.171 3.979 -10.425 27 HD13 LEU 3 HD13 LEU 3 2.549 4.712 -8.861 28 HD21 LEU 3 HD21 LEU 3 2.507 2.298 -7.779 29 HD22 LEU 3 HD22 LEU 3 2.174 1.671 -9.397 30 HD23 LEU 3 HD23 LEU 3 1.080 1.299 -8.067 31 H GLN 4 HN GLN 4 3.438 5.265 -6.322 32 HA GLN 4 HA GLN 4 2.664 8.117 -6.240 33 HB2 GLN 4 HB2 GLN 4 5.391 6.889 -5.621 34 HB3 GLN 4 HB1 GLN 4 4.870 8.543 -5.292 35 HG2 GLN 4 HG2 GLN 4 3.216 7.650 -3.656 36 HG3 GLN 4 HG1 GLN 4 3.815 6.021 -3.974 37 HE21 GLN 4 HE21 GLN 4 4.451 9.051 -2.378 38 HE22 GLN 4 HE22 GLN 4 5.827 8.525 -1.479 39 H LEU 5 HN LEU 5 3.027 9.366 -7.975 40 HA LEU 5 HA LEU 5 5.072 8.598 -9.990 41 HB2 LEU 5 HB2 LEU 5 2.367 9.930 -10.497 42 HB3 LEU 5 HB1 LEU 5 3.607 9.677 -11.719 43 HG LEU 5 HG LEU 5 2.149 7.445 -10.238 44 HD11 LEU 5 HD11 LEU 5 0.607 8.639 -11.698 45 HD12 LEU 5 HD12 LEU 5 0.944 7.028 -12.325 46 HD13 LEU 5 HD13 LEU 5 1.706 8.439 -13.068 47 HD21 LEU 5 HD21 LEU 5 4.400 6.764 -10.944 48 HD22 LEU 5 HD22 LEU 5 4.061 7.275 -12.601 49 HD23 LEU 5 HD23 LEU 5 3.166 5.928 -11.888 50 H VAL 6 HN VAL 6 6.708 9.973 -9.623 51 HA VAL 6 HA VAL 6 6.222 12.740 -8.713 52 HB VAL 6 HB VAL 6 8.828 11.126 -8.753 53 HG11 VAL 6 HG11 VAL 6 8.275 13.871 -7.551 54 HG12 VAL 6 HG12 VAL 6 9.282 13.540 -8.964 55 HG13 VAL 6 HG13 VAL 6 9.777 12.961 -7.372 56 HG21 VAL 6 HG21 VAL 6 7.224 10.232 -7.110 57 HG22 VAL 6 HG22 VAL 6 7.017 11.841 -6.413 58 HG23 VAL 6 HG23 VAL 6 8.575 11.020 -6.286 59 H GLU 7 HN GLU 7 5.886 13.974 -10.414 60 HA GLU 7 HA GLU 7 7.252 13.516 -12.968 61 HB2 GLU 7 HB2 GLU 7 4.736 15.106 -12.333 62 HB3 GLU 7 HB1 GLU 7 5.407 14.842 -13.943 63 HG2 GLU 7 HG2 GLU 7 4.970 12.460 -13.799 64 HG3 GLU 7 HG1 GLU 7 4.460 12.613 -12.114 65 H SER 8 HN SER 8 8.314 15.109 -14.051 66 HA SER 8 HA SER 8 8.525 17.837 -13.173 67 HB2 SER 8 HB2 SER 8 11.056 17.675 -12.820 68 HB3 SER 8 HB1 SER 8 10.074 16.962 -11.541 69 HG SER 8 HG SER 8 10.465 15.034 -13.252 70 H GLY 9 HN GLY 9 9.835 19.105 -14.610 71 HA2 GLY 9 HA2 GLY 9 11.271 18.986 -16.692 72 HA3 GLY 9 HA1 GLY 9 9.987 17.974 -17.351 73 H GLY 10 HN GLY 10 7.905 19.501 -15.922 74 HA2 GLY 10 HA2 GLY 10 7.075 21.161 -18.015 75 HA3 GLY 10 HA1 GLY 10 6.384 21.127 -16.406 76 H GLY 11 HN GLY 11 7.473 23.174 -18.572 77 HA2 GLY 11 HA2 GLY 11 7.773 25.398 -16.841 78 HA3 GLY 11 HA1 GLY 11 9.355 24.887 -17.432 79 H LEU 12 HN LEU 12 8.926 27.268 -18.207 80 HA LEU 12 HA LEU 12 7.399 27.436 -20.687 81 HB2 LEU 12 HB2 LEU 12 7.418 29.288 -18.961 82 HB3 LEU 12 HB1 LEU 12 9.097 29.545 -19.377 83 HG LEU 12 HG LEU 12 8.340 30.016 -21.765 84 HD11 LEU 12 HD11 LEU 12 5.606 30.204 -20.488 85 HD12 LEU 12 HD12 LEU 12 6.125 28.999 -21.671 86 HD13 LEU 12 HD13 LEU 12 6.032 30.697 -22.128 87 HD21 LEU 12 HD21 LEU 12 9.037 31.800 -20.251 88 HD22 LEU 12 HD22 LEU 12 7.390 31.930 -19.624 89 HD23 LEU 12 HD23 LEU 12 7.731 32.326 -21.311 90 H VAL 13 HN VAL 13 8.350 26.601 -22.423 91 HA VAL 13 HA VAL 13 11.175 27.246 -23.058 92 HB VAL 13 HB VAL 13 11.307 25.010 -24.266 93 HG11 VAL 13 HG11 VAL 13 11.643 23.611 -22.242 94 HG12 VAL 13 HG12 VAL 13 10.769 24.805 -21.278 95 HG13 VAL 13 HG13 VAL 13 12.308 25.232 -22.028 96 HG21 VAL 13 HG21 VAL 13 9.646 23.236 -23.724 97 HG22 VAL 13 HG22 VAL 13 8.898 24.588 -24.578 98 HG23 VAL 13 HG23 VAL 13 8.685 24.420 -22.834 99 H GLN 14 HN GLN 14 11.593 27.567 -25.378 100 HA GLN 14 HA GLN 14 9.350 28.822 -26.690 101 HB2 GLN 14 HB2 GLN 14 10.862 29.622 -28.379 102 HB3 GLN 14 HB1 GLN 14 11.689 29.769 -26.838 103 HG2 GLN 14 HG2 GLN 14 12.161 27.491 -28.778 104 HG3 GLN 14 HG1 GLN 14 13.095 28.980 -28.780 105 HE21 GLN 14 HE21 GLN 14 13.923 26.190 -28.322 106 HE22 GLN 14 HE22 GLN 14 14.759 26.216 -26.814 107 H ALA 15 HN ALA 15 8.435 28.322 -28.702 108 HA ALA 15 HA ALA 15 7.926 25.636 -29.348 109 HB1 ALA 15 HB1 ALA 15 7.478 28.139 -31.012 110 HB2 ALA 15 HB2 ALA 15 6.353 27.463 -29.837 111 HB3 ALA 15 HB3 ALA 15 6.734 26.563 -31.305 112 H GLY 16 HN GLY 16 9.035 24.247 -30.531 113 HA2 GLY 16 HA2 GLY 16 10.284 23.610 -32.494 114 HA3 GLY 16 HA1 GLY 16 11.185 25.122 -32.380 115 H GLY 17 HN GLY 17 11.137 24.666 -29.350 116 HA2 GLY 17 HA2 GLY 17 13.723 23.480 -29.112 117 HA3 GLY 17 HA1 GLY 17 12.689 24.044 -27.805 118 H SER 18 HN SER 18 13.679 22.147 -26.790 119 HA SER 18 HA SER 18 12.040 19.727 -27.169 120 HB2 SER 18 HB2 SER 18 14.117 18.373 -26.586 121 HB3 SER 18 HB1 SER 18 14.178 19.166 -28.162 122 HG SER 18 HG SER 18 15.200 20.897 -26.475 123 H LEU 19 HN LEU 19 11.170 19.003 -25.306 124 HA LEU 19 HA LEU 19 12.336 19.767 -22.710 125 HB2 LEU 19 HB2 LEU 19 10.362 21.265 -23.330 126 HB3 LEU 19 HB1 LEU 19 9.342 19.835 -23.301 127 HG LEU 19 HG LEU 19 9.892 19.504 -20.891 128 HD11 LEU 19 HD11 LEU 19 11.426 22.105 -21.152 129 HD12 LEU 19 HD12 LEU 19 12.103 20.508 -20.817 130 HD13 LEU 19 HD13 LEU 19 11.052 21.282 -19.638 131 HD21 LEU 19 HD21 LEU 19 8.767 22.252 -21.534 132 HD22 LEU 19 HD22 LEU 19 8.571 21.386 -20.006 133 HD23 LEU 19 HD23 LEU 19 7.862 20.735 -21.483 134 H ARG 20 HN ARG 20 12.785 17.946 -21.664 135 HA ARG 20 HA ARG 20 11.388 15.440 -22.311 136 HB2 ARG 20 HB2 ARG 20 13.911 15.525 -22.347 137 HB3 ARG 20 HB1 ARG 20 13.890 15.877 -20.621 138 HG2 ARG 20 HG2 ARG 20 12.668 13.666 -20.298 139 HG3 ARG 20 HG1 ARG 20 12.994 13.323 -22.001 140 HD2 ARG 20 HD2 ARG 20 15.057 13.789 -19.817 141 HD3 ARG 20 HD1 ARG 20 14.655 12.240 -20.564 142 HE ARG 20 HE ARG 20 15.466 14.013 -22.582 143 HH11 ARG 20 HH11 ARG 20 16.878 12.317 -19.836 144 HH12 ARG 20 HH12 ARG 20 18.457 12.256 -20.550 145 HH21 ARG 20 HH21 ARG 20 17.531 13.919 -23.483 146 HH22 ARG 20 HH22 ARG 20 18.828 13.171 -22.611 147 H LEU 21 HN LEU 21 9.746 14.886 -21.023 148 HA LEU 21 HA LEU 21 9.525 15.788 -18.265 149 HB2 LEU 21 HB2 LEU 21 7.726 13.953 -19.906 150 HB3 LEU 21 HB1 LEU 21 7.382 14.501 -18.279 151 HG LEU 21 HG LEU 21 6.031 15.865 -19.630 152 HD11 LEU 21 HD11 LEU 21 7.245 17.184 -17.989 153 HD12 LEU 21 HD12 LEU 21 6.885 18.129 -19.429 154 HD13 LEU 21 HD13 LEU 21 8.518 17.516 -19.165 155 HD21 LEU 21 HD21 LEU 21 6.948 15.260 -21.805 156 HD22 LEU 21 HD22 LEU 21 8.346 16.303 -21.534 157 HD23 LEU 21 HD23 LEU 21 6.732 17.007 -21.678 158 H SER 22 HN SER 22 9.219 14.246 -16.535 159 HA SER 22 HA SER 22 10.378 11.574 -16.831 160 HB2 SER 22 HB2 SER 22 11.944 12.068 -14.871 161 HB3 SER 22 HB1 SER 22 12.377 12.853 -16.387 162 HG SER 22 HG SER 22 11.179 14.722 -15.526 163 H CYS 23 HN CYS 23 9.223 10.216 -15.655 164 HA CYS 23 HA CYS 23 7.637 11.130 -13.343 165 HB2 CYS 23 HB2 CYS 23 6.186 10.658 -15.291 166 HB3 CYS 23 HB1 CYS 23 6.868 9.040 -15.425 167 HG CYS 23 HG CYS 23 4.537 10.225 -13.314 168 H VAL 24 HN VAL 24 8.677 10.327 -11.647 169 HA VAL 24 HA VAL 24 10.169 7.828 -11.734 170 HB VAL 24 HB VAL 24 9.829 9.753 -9.391 171 HG11 VAL 24 HG11 VAL 24 11.946 8.788 -8.584 172 HG12 VAL 24 HG12 VAL 24 11.992 7.705 -9.978 173 HG13 VAL 24 HG13 VAL 24 10.707 7.544 -8.779 174 HG21 VAL 24 HG21 VAL 24 12.011 9.835 -11.519 175 HG22 VAL 24 HG22 VAL 24 11.957 10.823 -10.055 176 HG23 VAL 24 HG23 VAL 24 10.726 11.030 -11.300 177 H ALA 25 HN ALA 25 9.141 5.963 -11.220 178 HA ALA 25 HA ALA 25 6.487 6.039 -9.980 179 HB1 ALA 25 HB1 ALA 25 7.972 3.724 -11.290 180 HB2 ALA 25 HB2 ALA 25 6.772 4.756 -12.066 181 HB3 ALA 25 HB3 ALA 25 6.291 3.699 -10.738 182 H SER 26 HN SER 26 6.655 6.200 -7.858 183 HA SER 26 HA SER 26 7.050 5.872 -5.690 184 HB2 SER 26 HB2 SER 26 7.096 3.501 -4.873 185 HB3 SER 26 HB1 SER 26 5.799 3.823 -6.012 186 HG SER 26 HG SER 26 8.186 2.847 -7.067 187 H GLY 27 HN GLY 27 9.280 6.741 -7.127 188 HA2 GLY 27 HA2 GLY 27 11.438 7.354 -6.598 189 HA3 GLY 27 HA1 GLY 27 11.361 6.313 -5.182 190 H ARG 28 HN ARG 28 12.476 4.479 -5.230 191 HA ARG 28 HA ARG 28 13.401 3.339 -7.815 192 HB2 ARG 28 HB2 ARG 28 14.843 3.443 -5.125 193 HB3 ARG 28 HB1 ARG 28 15.410 2.525 -6.522 194 HG2 ARG 28 HG2 ARG 28 15.691 4.590 -7.816 195 HG3 ARG 28 HG1 ARG 28 15.018 5.540 -6.487 196 HD2 ARG 28 HD2 ARG 28 17.568 3.898 -6.317 197 HD3 ARG 28 HD1 ARG 28 17.512 5.635 -6.624 198 HE ARG 28 HE ARG 28 16.160 5.475 -4.324 199 HH11 ARG 28 HH11 ARG 28 19.201 3.948 -5.199 200 HH12 ARG 28 HH12 ARG 28 19.857 4.078 -3.600 201 HH21 ARG 28 HH21 ARG 28 17.037 5.611 -2.224 202 HH22 ARG 28 HH22 ARG 28 18.633 5.011 -1.916 203 H THR 29 HN THR 29 11.140 2.898 -5.642 204 HA THR 29 HA THR 29 11.290 0.031 -5.190 205 HB THR 29 HB THR 29 8.966 1.985 -4.868 206 HG1 THR 29 HG1 THR 29 10.762 2.459 -3.529 207 HG21 THR 29 HG21 THR 29 7.971 0.298 -3.363 208 HG22 THR 29 HG22 THR 29 9.289 -0.819 -3.726 209 HG23 THR 29 HG23 THR 29 8.158 -0.345 -4.996 210 H PHE 30 HN PHE 30 10.003 -1.514 -6.316 211 HA PHE 30 HA PHE 30 9.189 -0.691 -9.040 212 HB2 PHE 30 HB2 PHE 30 10.984 -2.393 -8.948 213 HB3 PHE 30 HB1 PHE 30 9.997 -3.421 -7.921 214 HD1 PHE 30 HD1 PHE 30 8.716 -5.131 -8.922 215 HD2 PHE 30 HD2 PHE 30 9.998 -1.845 -11.333 216 HE1 PHE 30 HE1 PHE 30 7.844 -6.253 -10.930 217 HE2 PHE 30 HE2 PHE 30 9.119 -2.973 -13.330 218 HZ PHE 30 HZ PHE 30 8.047 -5.175 -13.131 219 H ARG 31 HN ARG 31 7.122 -0.340 -9.150 220 HA ARG 31 HA ARG 31 5.154 -2.402 -8.543 221 HB2 ARG 31 HB2 ARG 31 5.014 0.408 -7.361 222 HB3 ARG 31 HB1 ARG 31 3.549 -0.522 -7.653 223 HG2 ARG 31 HG2 ARG 31 5.818 -1.291 -5.783 224 HG3 ARG 31 HG1 ARG 31 4.231 -0.678 -5.306 225 HD2 ARG 31 HD2 ARG 31 3.179 -2.701 -6.294 226 HD3 ARG 31 HD1 ARG 31 4.778 -3.308 -6.742 227 HE ARG 31 HE ARG 31 4.292 -2.737 -3.910 228 HH11 ARG 31 HH11 ARG 31 4.671 -5.186 -6.398 229 HH12 ARG 31 HH12 ARG 31 4.783 -6.492 -5.269 230 HH21 ARG 31 HH21 ARG 31 4.416 -4.477 -2.432 231 HH22 ARG 31 HH22 ARG 31 4.631 -6.091 -3.022 232 H SER 32 HN SER 32 6.587 -0.758 -10.742 233 HA SER 32 HA SER 32 4.437 0.652 -12.087 234 HB2 SER 32 HB2 SER 32 6.413 1.100 -13.744 235 HB3 SER 32 HB1 SER 32 6.457 1.851 -12.154 236 HG SER 32 HG SER 32 8.326 0.896 -11.962 237 H ASN 33 HN ASN 33 3.091 -1.132 -12.550 238 HA ASN 33 HA ASN 33 3.802 -3.234 -14.352 239 HB2 ASN 33 HB2 ASN 33 1.082 -1.996 -13.710 240 HB3 ASN 33 HB1 ASN 33 1.303 -3.444 -14.691 241 HD21 ASN 33 HD21 ASN 33 2.053 -5.359 -13.675 242 HD22 ASN 33 HD22 ASN 33 1.917 -5.569 -11.968 243 H ALA 34 HN ALA 34 2.346 -0.017 -14.707 244 HA ALA 34 HA ALA 34 3.131 0.379 -17.399 245 HB1 ALA 34 HB1 ALA 34 0.945 0.285 -18.516 246 HB2 ALA 34 HB2 ALA 34 0.194 -0.305 -17.028 247 HB3 ALA 34 HB3 ALA 34 1.394 -1.291 -17.867 248 H MET 35 HN MET 35 3.284 2.498 -17.639 249 HA MET 35 HA MET 35 1.393 4.368 -16.350 250 HB2 MET 35 HB2 MET 35 4.377 4.845 -16.833 251 HB3 MET 35 HB1 MET 35 3.251 6.010 -16.151 252 HG2 MET 35 HG2 MET 35 4.641 5.071 -14.407 253 HG3 MET 35 HG1 MET 35 2.974 4.555 -14.173 254 HE1 MET 35 HE1 MET 35 6.170 1.699 -15.957 255 HE2 MET 35 HE2 MET 35 6.497 3.401 -15.645 256 HE3 MET 35 HE3 MET 35 5.362 2.939 -16.916 257 H GLY 36 HN GLY 36 0.223 5.310 -17.933 258 HA2 GLY 36 HA2 GLY 36 1.356 5.759 -20.617 259 HA3 GLY 36 HA1 GLY 36 -0.350 5.780 -20.185 260 H TRP 37 HN TRP 37 1.619 7.783 -21.449 261 HA TRP 37 HA TRP 37 1.332 10.108 -19.702 262 HB2 TRP 37 HB2 TRP 37 2.479 9.865 -22.531 263 HB3 TRP 37 HB1 TRP 37 2.500 11.334 -21.555 264 HD1 TRP 37 HD1 TRP 37 4.188 7.898 -21.832 265 HE1 TRP 37 HE1 TRP 37 6.338 7.919 -20.437 266 HE3 TRP 37 HE3 TRP 37 3.625 12.427 -19.508 267 HZ2 TRP 37 HZ2 TRP 37 7.632 9.592 -18.590 268 HZ3 TRP 37 HZ3 TRP 37 5.376 13.166 -17.938 269 HH2 TRP 37 HH2 TRP 37 7.343 11.775 -17.489 270 H PHE 38 HN PHE 38 -0.433 11.337 -19.753 271 HA PHE 38 HA PHE 38 -2.028 11.636 -22.236 272 HB2 PHE 38 HB2 PHE 38 -3.082 11.566 -19.357 273 HB3 PHE 38 HB1 PHE 38 -4.051 11.949 -20.773 274 HD1 PHE 38 HD1 PHE 38 -5.017 10.199 -22.111 275 HD2 PHE 38 HD2 PHE 38 -2.177 9.217 -19.071 276 HE1 PHE 38 HE1 PHE 38 -5.572 7.816 -22.353 277 HE2 PHE 38 HE2 PHE 38 -2.730 6.833 -19.327 278 HZ PHE 38 HZ PHE 38 -4.428 6.131 -20.967 279 H ARG 39 HN ARG 39 -2.760 13.813 -22.612 280 HA ARG 39 HA ARG 39 -1.734 15.883 -20.747 281 HB2 ARG 39 HB2 ARG 39 -1.053 17.302 -22.561 282 HB3 ARG 39 HB1 ARG 39 -0.333 15.723 -22.836 283 HG2 ARG 39 HG2 ARG 39 -2.046 15.227 -24.542 284 HG3 ARG 39 HG1 ARG 39 -2.791 16.802 -24.256 285 HD2 ARG 39 HD2 ARG 39 -0.587 17.855 -24.905 286 HD3 ARG 39 HD1 ARG 39 -0.039 16.250 -25.388 287 HE ARG 39 HE ARG 39 -2.464 16.793 -26.706 288 HH11 ARG 39 HH11 ARG 39 0.923 17.799 -26.764 289 HH12 ARG 39 HH12 ARG 39 0.823 18.463 -28.361 290 HH21 ARG 39 HH21 ARG 39 -2.575 17.708 -28.811 291 HH22 ARG 39 HH22 ARG 39 -1.157 18.417 -29.520 292 H GLN 40 HN GLN 40 -3.106 17.505 -20.272 293 HA GLN 40 HA GLN 40 -5.690 17.695 -21.727 294 HB2 GLN 40 HB2 GLN 40 -5.175 18.152 -18.743 295 HB3 GLN 40 HB1 GLN 40 -6.701 18.489 -19.566 296 HG2 GLN 40 HG2 GLN 40 -6.943 16.108 -20.100 297 HG3 GLN 40 HG1 GLN 40 -5.411 15.752 -19.304 298 HE21 GLN 40 HE21 GLN 40 -8.127 14.742 -18.720 299 HE22 GLN 40 HE22 GLN 40 -8.424 15.146 -17.066 300 H ALA 41 HN ALA 41 -6.011 19.666 -22.631 301 HA ALA 41 HA ALA 41 -4.184 21.862 -22.204 302 HB1 ALA 41 HB1 ALA 41 -5.583 23.047 -23.860 303 HB2 ALA 41 HB2 ALA 41 -6.773 21.745 -23.800 304 HB3 ALA 41 HB3 ALA 41 -5.154 21.433 -24.426 305 HA PRO 42 HA PRO 42 -6.318 24.076 -18.887 306 HB2 PRO 42 HB2 PRO 42 -6.129 26.531 -20.642 307 HB3 PRO 42 HB1 PRO 42 -5.658 26.322 -18.947 308 HG2 PRO 42 HG2 PRO 42 -3.786 26.361 -20.837 309 HG3 PRO 42 HG1 PRO 42 -3.673 25.203 -19.498 310 HD2 PRO 42 HD2 PRO 42 -4.538 24.722 -22.346 311 HD3 PRO 42 HD1 PRO 42 -3.541 23.708 -21.278 312 H GLY 43 HN GLY 43 -8.363 23.263 -18.874 313 HA2 GLY 43 HA2 GLY 43 -10.685 23.743 -18.820 314 HA3 GLY 43 HA1 GLY 43 -10.501 24.788 -20.221 315 H LYS 44 HN LYS 44 -9.003 21.610 -20.229 316 HA LYS 44 HA LYS 44 -11.100 20.571 -22.044 317 HB2 LYS 44 HB2 LYS 44 -8.141 20.865 -22.647 318 HB3 LYS 44 HB1 LYS 44 -9.114 19.665 -23.481 319 HG2 LYS 44 HG2 LYS 44 -9.972 22.567 -23.533 320 HG3 LYS 44 HG1 LYS 44 -8.656 22.022 -24.570 321 HD2 LYS 44 HD2 LYS 44 -10.646 21.919 -25.898 322 HD3 LYS 44 HD1 LYS 44 -10.210 20.260 -25.501 323 HE2 LYS 44 HE2 LYS 44 -11.939 20.407 -23.619 324 HE3 LYS 44 HE1 LYS 44 -12.484 21.912 -24.359 325 HZ1 LYS 44 HZ1 LYS 44 -12.840 20.621 -26.424 326 HZ2 LYS 44 HZ2 LYS 44 -13.818 20.126 -25.139 327 HZ3 LYS 44 HZ3 LYS 44 -12.466 19.201 -25.576 328 H GLU 45 HN GLU 45 -10.699 18.294 -22.649 329 HA GLU 45 HA GLU 45 -10.047 16.629 -20.336 330 HB2 GLU 45 HB2 GLU 45 -11.307 14.856 -21.420 331 HB3 GLU 45 HB1 GLU 45 -12.266 16.328 -21.451 332 HG2 GLU 45 HG2 GLU 45 -10.665 15.311 -23.824 333 HG3 GLU 45 HG1 GLU 45 -12.352 14.897 -23.532 334 H ARG 46 HN ARG 46 -9.204 14.302 -21.235 335 HA ARG 46 HA ARG 46 -6.465 14.919 -21.676 336 HB2 ARG 46 HB2 ARG 46 -5.950 12.719 -21.083 337 HB3 ARG 46 HB1 ARG 46 -7.390 13.085 -20.154 338 HG2 ARG 46 HG2 ARG 46 -7.331 11.395 -22.686 339 HG3 ARG 46 HG1 ARG 46 -7.336 10.764 -21.044 340 HD2 ARG 46 HD2 ARG 46 -9.577 10.556 -21.597 341 HD3 ARG 46 HD1 ARG 46 -9.590 12.149 -20.851 342 HE ARG 46 HE ARG 46 -9.200 12.669 -23.488 343 HH11 ARG 46 HH11 ARG 46 -11.677 10.863 -21.799 344 HH12 ARG 46 HH12 ARG 46 -12.905 11.225 -22.967 345 HH21 ARG 46 HH21 ARG 46 -10.787 13.098 -25.032 346 HH22 ARG 46 HH22 ARG 46 -12.390 12.481 -24.807 347 H GLU 47 HN GLU 47 -5.048 14.104 -23.204 348 HA GLU 47 HA GLU 47 -6.116 12.911 -25.672 349 HB2 GLU 47 HB2 GLU 47 -5.361 15.216 -26.162 350 HB3 GLU 47 HB1 GLU 47 -3.814 14.896 -25.397 351 HG2 GLU 47 HG2 GLU 47 -3.574 14.866 -27.811 352 HG3 GLU 47 HG1 GLU 47 -3.263 13.258 -27.158 353 H PHE 48 HN PHE 48 -5.291 10.941 -25.975 354 HA PHE 48 HA PHE 48 -3.381 9.729 -24.232 355 HB2 PHE 48 HB2 PHE 48 -5.226 8.450 -25.315 356 HB3 PHE 48 HB1 PHE 48 -4.525 8.755 -26.899 357 HD1 PHE 48 HD1 PHE 48 -2.666 7.415 -27.707 358 HD2 PHE 48 HD2 PHE 48 -4.089 6.918 -23.711 359 HE1 PHE 48 HE1 PHE 48 -1.347 5.357 -27.483 360 HE2 PHE 48 HE2 PHE 48 -2.764 4.861 -23.495 361 HZ PHE 48 HZ PHE 48 -1.390 4.083 -25.381 362 H VAL 49 HN VAL 49 -1.294 10.283 -24.311 363 HA VAL 49 HA VAL 49 -0.012 11.161 -26.806 364 HB VAL 49 HB VAL 49 1.109 11.179 -23.963 365 HG11 VAL 49 HG11 VAL 49 2.918 11.189 -25.627 366 HG12 VAL 49 HG12 VAL 49 2.814 12.763 -24.840 367 HG13 VAL 49 HG13 VAL 49 2.172 12.551 -26.471 368 HG21 VAL 49 HG21 VAL 49 0.622 13.602 -23.931 369 HG22 VAL 49 HG22 VAL 49 -0.852 12.651 -24.112 370 HG23 VAL 49 HG23 VAL 49 -0.154 13.470 -25.512 371 H ALA 50 HN ALA 50 0.484 8.804 -24.149 372 HA ALA 50 HA ALA 50 1.827 6.908 -25.889 373 HB1 ALA 50 HB1 ALA 50 3.948 6.872 -24.629 374 HB2 ALA 50 HB2 ALA 50 3.387 8.218 -23.631 375 HB3 ALA 50 HB3 ALA 50 3.671 8.456 -25.356 376 H ALA 51 HN ALA 51 2.534 4.939 -24.647 377 HA ALA 51 HA ALA 51 1.553 4.539 -21.948 378 HB1 ALA 51 HB1 ALA 51 0.462 2.813 -24.201 379 HB2 ALA 51 HB2 ALA 51 -0.453 4.001 -23.276 380 HB3 ALA 51 HB3 ALA 51 0.189 2.568 -22.475 381 H ILE 52 HN ILE 52 3.062 3.485 -20.903 382 HA ILE 52 HA ILE 52 4.985 1.720 -22.308 383 HB ILE 52 HB ILE 52 5.641 3.637 -20.018 384 HG12 ILE 52 HG12 ILE 52 7.293 4.601 -21.813 385 HG13 ILE 52 HG11 ILE 52 6.257 3.808 -22.991 386 HG21 ILE 52 HG21 ILE 52 7.986 2.880 -20.291 387 HG22 ILE 52 HG22 ILE 52 7.469 1.707 -21.507 388 HG23 ILE 52 HG23 ILE 52 6.919 1.550 -19.837 389 HD11 ILE 52 HD11 ILE 52 5.413 5.941 -21.032 390 HD12 ILE 52 HD12 ILE 52 4.380 5.177 -22.244 391 HD13 ILE 52 HD13 ILE 52 5.748 6.162 -22.747 392 H ARG 53 HN ARG 53 4.670 -0.292 -21.585 393 HA ARG 53 HA ARG 53 3.910 -0.798 -18.790 394 HB2 ARG 53 HB2 ARG 53 4.142 -2.751 -21.124 395 HB3 ARG 53 HB1 ARG 53 3.632 -3.168 -19.494 396 HG2 ARG 53 HG2 ARG 53 1.625 -3.041 -20.723 397 HG3 ARG 53 HG1 ARG 53 1.690 -1.527 -19.830 398 HD2 ARG 53 HD2 ARG 53 0.932 -1.102 -22.101 399 HD3 ARG 53 HD1 ARG 53 2.533 -0.383 -21.881 400 HE ARG 53 HE ARG 53 2.777 -3.008 -22.901 401 HH11 ARG 53 HH11 ARG 53 1.945 0.244 -23.997 402 HH12 ARG 53 HH12 ARG 53 2.242 -0.132 -25.663 403 HH21 ARG 53 HH21 ARG 53 3.172 -3.453 -25.074 404 HH22 ARG 53 HH22 ARG 53 2.939 -2.224 -26.270 405 H TRP 54 HN TRP 54 5.094 -2.868 -17.882 406 HA TRP 54 HA TRP 54 7.918 -2.404 -17.784 407 HB2 TRP 54 HB2 TRP 54 6.718 -3.302 -15.840 408 HB3 TRP 54 HB1 TRP 54 6.241 -4.728 -16.756 409 HD1 TRP 54 HD1 TRP 54 9.754 -3.104 -16.133 410 HE1 TRP 54 HE1 TRP 54 11.343 -4.959 -15.339 411 HE3 TRP 54 HE3 TRP 54 6.481 -7.037 -16.066 412 HZ2 TRP 54 HZ2 TRP 54 11.247 -7.696 -14.739 413 HZ3 TRP 54 HZ3 TRP 54 7.315 -9.247 -15.357 414 HH2 TRP 54 HH2 TRP 54 9.653 -9.569 -14.707 415 H SER 55 HN SER 55 5.814 -4.422 -19.699 416 HA SER 55 HA SER 55 7.961 -5.199 -21.481 417 HB2 SER 55 HB2 SER 55 8.025 -7.024 -19.811 418 HB3 SER 55 HB1 SER 55 6.299 -7.308 -20.020 419 HG SER 55 HG SER 55 6.654 -8.216 -21.936 420 H GLY 56 HN GLY 56 7.127 -6.162 -23.487 421 HA2 GLY 56 HA2 GLY 56 5.306 -6.835 -24.896 422 HA3 GLY 56 HA1 GLY 56 4.240 -5.759 -24.012 423 H GLY 57 HN GLY 57 7.250 -4.279 -24.648 424 HA2 GLY 57 HA2 GLY 57 8.022 -3.399 -26.796 425 HA3 GLY 57 HA1 GLY 57 6.347 -3.157 -27.266 426 H SER 58 HN SER 58 5.166 -1.909 -25.299 427 HA SER 58 HA SER 58 4.873 -0.071 -24.023 428 HB2 SER 58 HB2 SER 58 7.870 -0.312 -23.528 429 HB3 SER 58 HB1 SER 58 6.715 0.561 -22.520 430 HG SER 58 HG SER 58 7.243 -1.601 -21.790 431 H THR 59 HN THR 59 4.400 0.979 -26.130 432 HA THR 59 HA THR 59 6.011 3.275 -26.829 433 HB THR 59 HB THR 59 6.214 2.477 -29.308 434 HG1 THR 59 HG1 THR 59 4.926 0.589 -29.066 435 HG21 THR 59 HG21 THR 59 8.009 1.114 -27.275 436 HG22 THR 59 HG22 THR 59 8.237 2.736 -27.936 437 HG23 THR 59 HG23 THR 59 8.366 1.325 -28.990 438 H TYR 60 HN TYR 60 4.549 4.802 -27.344 439 HA TYR 60 HA TYR 60 2.484 4.363 -29.304 440 HB2 TYR 60 HB2 TYR 60 1.736 4.786 -26.394 441 HB3 TYR 60 HB1 TYR 60 0.728 5.497 -27.645 442 HD1 TYR 60 HD1 TYR 60 -0.296 3.924 -29.418 443 HD2 TYR 60 HD2 TYR 60 1.413 2.498 -25.767 444 HE1 TYR 60 HE1 TYR 60 -1.578 1.842 -29.632 445 HE2 TYR 60 HE2 TYR 60 0.129 0.411 -25.992 446 HH TYR 60 HH TYR 60 -2.041 -0.284 -27.131 447 H TYR 61 HN TYR 61 2.148 6.148 -30.414 448 HA TYR 61 HA TYR 61 2.191 8.815 -29.439 449 HB2 TYR 61 HB2 TYR 61 4.062 9.390 -31.367 450 HB3 TYR 61 HB1 TYR 61 4.456 9.193 -29.669 451 HD1 TYR 61 HD1 TYR 61 6.418 7.975 -29.300 452 HD2 TYR 61 HD2 TYR 61 3.972 6.866 -32.629 453 HE1 TYR 61 HE1 TYR 61 7.980 6.156 -29.839 454 HE2 TYR 61 HE2 TYR 61 5.545 5.052 -33.170 455 HH TYR 61 HH TYR 61 7.871 4.446 -32.810 456 H ALA 62 HN ALA 62 1.359 10.290 -30.991 457 HA ALA 62 HA ALA 62 -0.236 9.180 -33.131 458 HB1 ALA 62 HB1 ALA 62 -1.073 11.071 -31.780 459 HB2 ALA 62 HB2 ALA 62 -0.970 11.522 -33.483 460 HB3 ALA 62 HB3 ALA 62 0.256 12.089 -32.346 461 H ASP 63 HN ASP 63 0.001 9.671 -35.390 462 HA ASP 63 HA ASP 63 2.574 9.491 -36.486 463 HB2 ASP 63 HB2 ASP 63 -0.045 10.419 -37.745 464 HB3 ASP 63 HB1 ASP 63 1.412 10.066 -38.668 465 H SER 64 HN SER 64 0.589 12.289 -35.760 466 HA SER 64 HA SER 64 1.961 14.293 -37.212 467 HB2 SER 64 HB2 SER 64 0.291 14.594 -34.684 468 HB3 SER 64 HB1 SER 64 0.621 15.854 -35.877 469 HG SER 64 HG SER 64 -0.398 14.012 -37.319 470 H VAL 65 HN VAL 65 2.561 12.831 -34.072 471 HA VAL 65 HA VAL 65 4.675 14.813 -33.443 472 HB VAL 65 HB VAL 65 4.469 14.218 -31.096 473 HG11 VAL 65 HG11 VAL 65 2.197 15.036 -30.585 474 HG12 VAL 65 HG12 VAL 65 1.715 14.754 -32.260 475 HG13 VAL 65 HG13 VAL 65 2.944 15.966 -31.887 476 HG21 VAL 65 HG21 VAL 65 2.773 12.612 -30.240 477 HG22 VAL 65 HG22 VAL 65 3.969 11.823 -31.269 478 HG23 VAL 65 HG23 VAL 65 2.361 12.175 -31.902 479 H LYS 66 HN LYS 66 4.325 11.730 -34.684 480 HA LYS 66 HA LYS 66 6.197 10.183 -33.209 481 HB2 LYS 66 HB2 LYS 66 4.379 9.245 -34.643 482 HB3 LYS 66 HB1 LYS 66 5.221 9.808 -36.074 483 HG2 LYS 66 HG2 LYS 66 6.532 7.847 -34.175 484 HG3 LYS 66 HG1 LYS 66 5.377 7.290 -35.381 485 HD2 LYS 66 HD2 LYS 66 8.009 8.726 -35.934 486 HD3 LYS 66 HD1 LYS 66 7.693 7.005 -36.165 487 HE2 LYS 66 HE2 LYS 66 6.054 7.525 -37.920 488 HE3 LYS 66 HE1 LYS 66 6.286 9.255 -37.654 489 HZ1 LYS 66 HZ1 LYS 66 8.593 8.999 -38.335 490 HZ2 LYS 66 HZ2 LYS 66 7.529 8.496 -39.550 491 HZ3 LYS 66 HZ3 LYS 66 8.343 7.350 -38.614 492 H GLY 67 HN GLY 67 8.351 10.305 -33.191 493 HA2 GLY 67 HA2 GLY 67 10.494 10.262 -34.269 494 HA3 GLY 67 HA1 GLY 67 9.871 11.313 -35.530 495 H ARG 68 HN ARG 68 8.503 13.029 -33.559 496 HA ARG 68 HA ARG 68 10.735 14.694 -32.645 497 HB2 ARG 68 HB2 ARG 68 7.834 15.378 -32.099 498 HB3 ARG 68 HB1 ARG 68 9.186 16.452 -32.438 499 HG2 ARG 68 HG2 ARG 68 9.079 15.736 -34.832 500 HG3 ARG 68 HG1 ARG 68 7.671 14.745 -34.439 501 HD2 ARG 68 HD2 ARG 68 7.907 17.770 -34.398 502 HD3 ARG 68 HD1 ARG 68 6.817 16.771 -35.362 503 HE ARG 68 HE ARG 68 6.479 16.681 -32.458 504 HH11 ARG 68 HH11 ARG 68 5.267 17.952 -35.503 505 HH12 ARG 68 HH12 ARG 68 3.793 18.533 -34.801 506 HH21 ARG 68 HH21 ARG 68 4.544 17.474 -31.560 507 HH22 ARG 68 HH22 ARG 68 3.385 18.263 -32.578 508 H PHE 69 HN PHE 69 7.800 13.202 -31.355 509 HA PHE 69 HA PHE 69 8.690 13.323 -28.585 510 HB2 PHE 69 HB2 PHE 69 6.069 12.419 -29.858 511 HB3 PHE 69 HB1 PHE 69 6.385 12.342 -28.131 512 HD1 PHE 69 HD1 PHE 69 4.603 13.762 -27.395 513 HD2 PHE 69 HD2 PHE 69 7.342 15.225 -30.344 514 HE1 PHE 69 HE1 PHE 69 3.665 16.027 -27.161 515 HE2 PHE 69 HE2 PHE 69 6.403 17.486 -30.088 516 HZ PHE 69 HZ PHE 69 4.562 17.886 -28.498 517 H THR 70 HN THR 70 9.472 11.583 -27.531 518 HA THR 70 HA THR 70 9.219 8.845 -28.566 519 HB THR 70 HB THR 70 11.922 10.060 -27.768 520 HG1 THR 70 HG1 THR 70 10.605 10.130 -30.148 521 HG21 THR 70 HG21 THR 70 11.271 7.381 -29.060 522 HG22 THR 70 HG22 THR 70 11.739 7.604 -27.374 523 HG23 THR 70 HG23 THR 70 12.886 7.977 -28.660 524 H ILE 71 HN ILE 71 9.436 7.262 -26.865 525 HA ILE 71 HA ILE 71 9.575 8.324 -24.108 526 HB ILE 71 HB ILE 71 7.987 6.573 -23.347 527 HG12 ILE 71 HG12 ILE 71 8.214 5.006 -25.344 528 HG13 ILE 71 HG11 ILE 71 6.575 5.281 -24.796 529 HG21 ILE 71 HG21 ILE 71 7.225 8.846 -23.655 530 HG22 ILE 71 HG22 ILE 71 5.937 7.715 -24.062 531 HG23 ILE 71 HG23 ILE 71 6.835 8.528 -25.348 532 HD11 ILE 71 HD11 ILE 71 6.197 6.789 -26.675 533 HD12 ILE 71 HD12 ILE 71 6.711 5.187 -27.203 534 HD13 ILE 71 HD13 ILE 71 7.855 6.528 -27.221 535 H SER 72 HN SER 72 10.621 7.104 -22.592 536 HA SER 72 HA SER 72 11.947 4.589 -23.327 537 HB2 SER 72 HB2 SER 72 13.441 7.053 -22.301 538 HB3 SER 72 HB1 SER 72 14.150 5.462 -22.567 539 HG SER 72 HG SER 72 12.838 6.549 -24.749 540 H ARG 73 HN ARG 73 11.959 3.217 -21.572 541 HA ARG 73 HA ARG 73 11.435 4.336 -18.871 542 HB2 ARG 73 HB2 ARG 73 9.649 2.837 -19.535 543 HB3 ARG 73 HB1 ARG 73 10.799 1.596 -20.029 544 HG2 ARG 73 HG2 ARG 73 11.480 1.246 -17.697 545 HG3 ARG 73 HG1 ARG 73 10.428 2.563 -17.171 546 HD2 ARG 73 HD2 ARG 73 8.451 1.312 -17.763 547 HD3 ARG 73 HD1 ARG 73 9.416 0.051 -18.541 548 HE ARG 73 HE ARG 73 10.404 -0.090 -16.096 549 HH11 ARG 73 HH11 ARG 73 7.011 0.147 -17.010 550 HH12 ARG 73 HH12 ARG 73 6.469 -0.729 -15.614 551 HH21 ARG 73 HH21 ARG 73 9.667 -1.234 -14.300 552 HH22 ARG 73 HH22 ARG 73 7.967 -1.481 -14.071 553 H ASP 74 HN ASP 74 13.117 4.312 -17.531 554 HA ASP 74 HA ASP 74 15.230 2.259 -17.748 555 HB2 ASP 74 HB2 ASP 74 15.160 4.878 -16.171 556 HB3 ASP 74 HB1 ASP 74 16.497 3.730 -16.148 557 H ASN 75 HN ASN 75 14.304 0.504 -16.810 558 HA ASN 75 HA ASN 75 12.430 0.531 -14.685 559 HB2 ASN 75 HB2 ASN 75 12.638 -1.279 -16.425 560 HB3 ASN 75 HB1 ASN 75 14.136 -1.802 -15.663 561 HD21 ASN 75 HD21 ASN 75 13.443 -3.838 -15.073 562 HD22 ASN 75 HD22 ASN 75 12.204 -4.118 -13.899 563 H ALA 76 HN ALA 76 15.916 0.453 -14.712 564 HA ALA 76 HA ALA 76 16.508 -0.779 -12.252 565 HB1 ALA 76 HB1 ALA 76 18.089 1.366 -13.705 566 HB2 ALA 76 HB2 ALA 76 18.178 -0.368 -14.014 567 HB3 ALA 76 HB3 ALA 76 18.719 0.277 -12.463 568 H LYS 77 HN LYS 77 15.625 2.558 -13.004 569 HA LYS 77 HA LYS 77 15.492 3.188 -10.115 570 HB2 LYS 77 HB2 LYS 77 15.579 5.698 -11.093 571 HB3 LYS 77 HB1 LYS 77 17.025 4.810 -10.662 572 HG2 LYS 77 HG2 LYS 77 15.995 4.795 -13.506 573 HG3 LYS 77 HG1 LYS 77 16.972 6.135 -12.895 574 HD2 LYS 77 HD2 LYS 77 18.779 4.501 -12.302 575 HD3 LYS 77 HD1 LYS 77 17.808 3.203 -13.003 576 HE2 LYS 77 HE2 LYS 77 19.516 3.918 -14.589 577 HE3 LYS 77 HE1 LYS 77 17.925 4.346 -15.209 578 HZ1 LYS 77 HZ1 LYS 77 18.280 6.614 -14.472 579 HZ2 LYS 77 HZ2 LYS 77 19.517 6.130 -15.517 580 HZ3 LYS 77 HZ3 LYS 77 19.797 6.209 -13.853 581 H ASN 78 HN ASN 78 13.629 2.217 -12.489 582 HA ASN 78 HA ASN 78 11.429 2.197 -12.989 583 HB2 ASN 78 HB2 ASN 78 11.258 3.210 -10.119 584 HB3 ASN 78 HB1 ASN 78 9.859 2.674 -11.049 585 HD21 ASN 78 HD21 ASN 78 12.774 1.669 -9.429 586 HD22 ASN 78 HD22 ASN 78 12.442 -0.024 -9.435 587 H THR 79 HN THR 79 12.834 4.583 -13.807 588 HA THR 79 HA THR 79 10.747 6.680 -13.607 589 HB THR 79 HB THR 79 13.711 7.032 -14.264 590 HG1 THR 79 HG1 THR 79 12.757 6.498 -11.950 591 HG21 THR 79 HG21 THR 79 13.271 9.452 -13.926 592 HG22 THR 79 HG22 THR 79 11.555 9.112 -13.695 593 HG23 THR 79 HG23 THR 79 12.310 8.813 -15.264 594 H VAL 80 HN VAL 80 9.738 7.263 -15.416 595 HA VAL 80 HA VAL 80 10.646 6.242 -18.042 596 HB VAL 80 HB VAL 80 7.798 6.958 -17.186 597 HG11 VAL 80 HG11 VAL 80 8.796 5.650 -19.750 598 HG12 VAL 80 HG12 VAL 80 8.126 7.279 -19.608 599 HG13 VAL 80 HG13 VAL 80 7.101 5.872 -19.314 600 HG21 VAL 80 HG21 VAL 80 8.567 4.946 -16.004 601 HG22 VAL 80 HG22 VAL 80 9.059 4.215 -17.534 602 HG23 VAL 80 HG23 VAL 80 7.350 4.522 -17.213 603 H TYR 81 HN TYR 81 10.770 7.693 -19.709 604 HA TYR 81 HA TYR 81 10.480 10.565 -19.089 605 HB2 TYR 81 HB2 TYR 81 12.555 9.142 -20.822 606 HB3 TYR 81 HB1 TYR 81 12.399 10.891 -20.685 607 HD1 TYR 81 HD1 TYR 81 13.108 12.059 -18.634 608 HD2 TYR 81 HD2 TYR 81 13.518 7.825 -18.968 609 HE1 TYR 81 HE1 TYR 81 14.616 12.058 -16.698 610 HE2 TYR 81 HE2 TYR 81 15.023 7.824 -17.026 611 HH TYR 81 HH TYR 81 15.379 10.485 -14.958 612 H LEU 82 HN LEU 82 9.354 11.770 -20.507 613 HA LEU 82 HA LEU 82 8.711 10.698 -23.200 614 HB2 LEU 82 HB2 LEU 82 6.688 11.115 -21.888 615 HB3 LEU 82 HB1 LEU 82 7.248 12.719 -21.455 616 HG LEU 82 HG LEU 82 7.002 13.446 -23.817 617 HD11 LEU 82 HD11 LEU 82 5.825 12.072 -25.460 618 HD12 LEU 82 HD12 LEU 82 5.823 10.707 -24.340 619 HD13 LEU 82 HD13 LEU 82 7.349 11.326 -24.977 620 HD21 LEU 82 HD21 LEU 82 4.551 13.511 -23.858 621 HD22 LEU 82 HD22 LEU 82 5.175 13.815 -22.239 622 HD23 LEU 82 HD23 LEU 82 4.487 12.236 -22.637 623 H GLN 83 HN GLN 83 10.511 11.395 -24.267 624 HA GLN 83 HA GLN 83 11.552 14.095 -23.996 625 HB2 GLN 83 HB2 GLN 83 13.135 12.238 -24.335 626 HB3 GLN 83 HB1 GLN 83 12.347 11.792 -25.840 627 HG2 GLN 83 HG2 GLN 83 14.466 12.984 -26.221 628 HG3 GLN 83 HG1 GLN 83 13.094 13.867 -26.894 629 HE21 GLN 83 HE21 GLN 83 12.506 15.869 -25.969 630 HE22 GLN 83 HE22 GLN 83 13.514 16.706 -24.844 631 H MET 84 HN MET 84 10.106 15.532 -24.769 632 HA MET 84 HA MET 84 8.875 15.185 -27.414 633 HB2 MET 84 HB2 MET 84 8.538 17.500 -25.453 634 HB3 MET 84 HB1 MET 84 7.539 17.138 -26.855 635 HG2 MET 84 HG2 MET 84 6.881 14.990 -25.689 636 HG3 MET 84 HG1 MET 84 7.683 15.623 -24.248 637 HE1 MET 84 HE1 MET 84 6.866 18.879 -24.749 638 HE2 MET 84 HE2 MET 84 6.902 18.111 -23.162 639 HE3 MET 84 HE3 MET 84 5.447 18.944 -23.707 640 H ASN 85 HN ASN 85 9.806 16.071 -29.178 641 HA ASN 85 HA ASN 85 11.663 18.382 -28.892 642 HB2 ASN 85 HB2 ASN 85 12.695 16.077 -29.602 643 HB3 ASN 85 HB1 ASN 85 11.855 16.318 -31.130 644 HD21 ASN 85 HD21 ASN 85 12.613 17.893 -32.570 645 HD22 ASN 85 HD22 ASN 85 14.141 18.669 -32.370 646 H SER 86 HN SER 86 11.738 19.706 -30.932 647 HA SER 86 HA SER 86 10.816 20.970 -32.580 648 HB2 SER 86 HB2 SER 86 9.267 18.445 -33.315 649 HB3 SER 86 HB1 SER 86 9.690 19.779 -34.373 650 HG SER 86 HG SER 86 11.173 18.207 -34.760 651 H LEU 87 HN LEU 87 9.716 21.309 -30.141 652 HA LEU 87 HA LEU 87 7.039 20.718 -29.708 653 HB2 LEU 87 HB2 LEU 87 8.838 22.855 -28.548 654 HB3 LEU 87 HB1 LEU 87 7.188 22.629 -27.980 655 HG LEU 87 HG LEU 87 9.345 20.474 -27.902 656 HD11 LEU 87 HD11 LEU 87 9.406 20.831 -25.483 657 HD12 LEU 87 HD12 LEU 87 8.282 22.185 -25.634 658 HD13 LEU 87 HD13 LEU 87 9.893 22.286 -26.353 659 HD21 LEU 87 HD21 LEU 87 6.533 20.520 -26.753 660 HD22 LEU 87 HD22 LEU 87 7.735 19.260 -26.474 661 HD23 LEU 87 HD23 LEU 87 7.107 19.527 -28.097 662 H LYS 88 HN LYS 88 5.167 21.769 -29.927 663 HA LYS 88 HA LYS 88 5.025 24.100 -31.726 664 HB2 LYS 88 HB2 LYS 88 2.797 22.161 -30.993 665 HB3 LYS 88 HB1 LYS 88 2.803 23.317 -32.314 666 HG2 LYS 88 HG2 LYS 88 4.448 20.775 -32.107 667 HG3 LYS 88 HG1 LYS 88 3.038 21.024 -33.132 668 HD2 LYS 88 HD2 LYS 88 5.617 22.610 -33.422 669 HD3 LYS 88 HD1 LYS 88 5.313 21.100 -34.275 670 HE2 LYS 88 HE2 LYS 88 4.832 22.894 -35.787 671 HE3 LYS 88 HE1 LYS 88 3.290 22.188 -35.325 672 HZ1 LYS 88 HZ1 LYS 88 3.282 24.621 -35.398 673 HZ2 LYS 88 HZ2 LYS 88 4.432 24.671 -34.160 674 HZ3 LYS 88 HZ3 LYS 88 2.892 24.032 -33.861 675 HA PRO 89 HA PRO 89 3.632 26.554 -28.216 676 HB2 PRO 89 HB2 PRO 89 1.763 28.237 -29.403 677 HB3 PRO 89 HB1 PRO 89 3.513 28.458 -29.519 678 HG2 PRO 89 HG2 PRO 89 1.621 27.174 -31.482 679 HG3 PRO 89 HG1 PRO 89 2.953 28.312 -31.790 680 HD2 PRO 89 HD2 PRO 89 3.263 25.667 -32.213 681 HD3 PRO 89 HD1 PRO 89 4.597 26.651 -31.571 682 H GLU 90 HN GLU 90 1.394 24.590 -30.050 683 HA GLU 90 HA GLU 90 -0.939 24.776 -28.446 684 HB2 GLU 90 HB2 GLU 90 -1.667 22.720 -29.504 685 HB3 GLU 90 HB1 GLU 90 -0.832 23.685 -30.719 686 HG2 GLU 90 HG2 GLU 90 1.194 22.311 -30.410 687 HG3 GLU 90 HG1 GLU 90 0.368 21.340 -29.207 688 H ASP 91 HN ASP 91 2.131 23.237 -27.882 689 HA ASP 91 HA ASP 91 1.244 21.308 -25.925 690 HB2 ASP 91 HB2 ASP 91 4.021 22.273 -26.725 691 HB3 ASP 91 HB1 ASP 91 3.739 20.983 -25.561 692 H THR 92 HN THR 92 0.861 24.386 -25.546 693 HA THR 92 HA THR 92 1.768 24.707 -22.819 694 HB THR 92 HB THR 92 -0.291 26.240 -24.466 695 HG1 THR 92 HG1 THR 92 1.720 26.640 -25.275 696 HG21 THR 92 HG21 THR 92 0.872 26.941 -21.748 697 HG22 THR 92 HG22 THR 92 -0.814 26.543 -22.081 698 HG23 THR 92 HG23 THR 92 -0.108 28.025 -22.737 699 H ALA 93 HN ALA 93 1.025 22.938 -21.642 700 HA ALA 93 HA ALA 93 -1.777 22.687 -20.958 701 HB1 ALA 93 HB1 ALA 93 -1.759 21.527 -23.146 702 HB2 ALA 93 HB2 ALA 93 -2.084 20.394 -21.836 703 HB3 ALA 93 HB3 ALA 93 -0.483 20.448 -22.578 704 H VAL 94 HN VAL 94 -1.977 20.387 -19.690 705 HA VAL 94 HA VAL 94 0.424 20.056 -17.992 706 HB VAL 94 HB VAL 94 -1.478 20.721 -16.649 707 HG11 VAL 94 HG11 VAL 94 -3.060 18.390 -17.779 708 HG12 VAL 94 HG12 VAL 94 -3.348 20.100 -18.102 709 HG13 VAL 94 HG13 VAL 94 -3.588 19.460 -16.475 710 HG21 VAL 94 HG21 VAL 94 0.041 19.072 -15.641 711 HG22 VAL 94 HG22 VAL 94 -0.959 17.753 -16.258 712 HG23 VAL 94 HG23 VAL 94 -1.607 18.854 -15.041 713 H TYR 95 HN TYR 95 1.648 18.436 -18.753 714 HA TYR 95 HA TYR 95 0.484 15.983 -19.811 715 HB2 TYR 95 HB2 TYR 95 3.321 16.984 -19.470 716 HB3 TYR 95 HB1 TYR 95 3.019 15.271 -19.715 717 HD1 TYR 95 HD1 TYR 95 2.602 14.407 -21.920 718 HD2 TYR 95 HD2 TYR 95 2.465 18.624 -21.276 719 HE1 TYR 95 HE1 TYR 95 2.476 14.774 -24.343 720 HE2 TYR 95 HE2 TYR 95 2.352 18.989 -23.709 721 HH TYR 95 HH TYR 95 2.989 17.772 -25.795 722 H LEU 96 HN LEU 96 -0.392 14.698 -18.395 723 HA LEU 96 HA LEU 96 0.760 14.354 -15.707 724 HB2 LEU 96 HB2 LEU 96 -1.581 13.718 -15.027 725 HB3 LEU 96 HB1 LEU 96 -1.378 15.379 -15.549 726 HG LEU 96 HG LEU 96 -2.224 14.325 -17.903 727 HD11 LEU 96 HD11 LEU 96 -2.483 12.039 -17.109 728 HD12 LEU 96 HD12 LEU 96 -4.032 12.724 -17.593 729 HD13 LEU 96 HD13 LEU 96 -3.634 12.572 -15.878 730 HD21 LEU 96 HD21 LEU 96 -4.470 15.169 -17.402 731 HD22 LEU 96 HD22 LEU 96 -3.221 16.262 -16.812 732 HD23 LEU 96 HD23 LEU 96 -4.081 15.217 -15.679 733 H CYS 97 HN CYS 97 1.258 12.363 -15.036 734 HA CYS 97 HA CYS 97 1.156 10.156 -16.948 735 HB2 CYS 97 HB2 CYS 97 2.458 10.271 -14.203 736 HB3 CYS 97 HB1 CYS 97 2.711 9.036 -15.437 737 HG CYS 97 HG CYS 97 3.459 12.300 -16.062 738 H ALA 98 HN ALA 98 -0.003 8.329 -16.634 739 HA ALA 98 HA ALA 98 -1.781 8.100 -14.288 740 HB1 ALA 98 HB1 ALA 98 -3.644 7.550 -15.782 741 HB2 ALA 98 HB2 ALA 98 -2.615 7.800 -17.197 742 HB3 ALA 98 HB3 ALA 98 -3.022 9.159 -16.145 743 H ALA 99 HN ALA 99 -1.433 6.166 -13.395 744 HA ALA 99 HA ALA 99 -0.230 3.995 -15.007 745 HB1 ALA 99 HB1 ALA 99 1.271 4.929 -13.290 746 HB2 ALA 99 HB2 ALA 99 0.855 3.254 -12.930 747 HB3 ALA 99 HB3 ALA 99 0.079 4.568 -12.035 748 H GLY 100 HN GLY 100 -0.882 1.882 -14.573 749 HA2 GLY 100 HA2 GLY 100 -3.301 1.472 -12.916 750 HA3 GLY 100 HA1 GLY 100 -3.230 0.885 -14.577 751 H VAL 101 HN VAL 101 -3.480 -0.551 -11.990 752 HA VAL 101 HA VAL 101 -1.108 -2.119 -11.620 753 HB VAL 101 HB VAL 101 -2.534 -3.619 -10.250 754 HG11 VAL 101 HG11 VAL 101 -1.640 -1.598 -9.177 755 HG12 VAL 101 HG12 VAL 101 -3.227 -1.988 -8.515 756 HG13 VAL 101 HG13 VAL 101 -3.058 -0.674 -9.682 757 HG21 VAL 101 HG21 VAL 101 -4.602 -3.607 -11.579 758 HG22 VAL 101 HG22 VAL 101 -4.879 -1.911 -11.179 759 HG23 VAL 101 HG23 VAL 101 -4.955 -3.138 -9.912 760 H TRP 102 HN TRP 102 -1.151 -4.546 -11.960 761 HA TRP 102 HA TRP 102 -1.246 -5.247 -14.643 762 HB2 TRP 102 HB2 TRP 102 -1.044 -7.634 -13.809 763 HB3 TRP 102 HB1 TRP 102 0.116 -6.510 -13.112 764 HD1 TRP 102 HD1 TRP 102 -0.130 -5.941 -10.492 765 HE1 TRP 102 HE1 TRP 102 -1.350 -7.143 -8.585 766 HE3 TRP 102 HE3 TRP 102 -3.129 -9.043 -13.250 767 HZ2 TRP 102 HZ2 TRP 102 -3.312 -9.128 -8.267 768 HZ3 TRP 102 HZ3 TRP 102 -4.651 -10.569 -12.061 769 HH2 TRP 102 HH2 TRP 102 -4.740 -10.611 -9.617 770 H ARG 103 HN ARG 103 -2.722 -6.067 -16.019 771 HA ARG 103 HA ARG 103 -5.339 -7.013 -15.045 772 HB2 ARG 103 HB2 ARG 103 -6.508 -5.781 -16.901 773 HB3 ARG 103 HB1 ARG 103 -5.878 -4.741 -15.637 774 HG2 ARG 103 HG2 ARG 103 -4.382 -5.189 -18.244 775 HG3 ARG 103 HG1 ARG 103 -5.628 -3.945 -18.072 776 HD2 ARG 103 HD2 ARG 103 -4.353 -2.927 -16.225 777 HD3 ARG 103 HD1 ARG 103 -3.105 -4.164 -16.395 778 HE ARG 103 HE ARG 103 -3.358 -2.945 -18.869 779 HH11 ARG 103 HH11 ARG 103 -2.429 -1.956 -15.610 780 HH12 ARG 103 HH12 ARG 103 -1.359 -0.717 -16.175 781 HH21 ARG 103 HH21 ARG 103 -1.942 -1.353 -19.574 782 HH22 ARG 103 HH22 ARG 103 -1.121 -0.341 -18.430 783 H SER 104 HN SER 104 -6.475 -8.326 -16.551 784 HA SER 104 HA SER 104 -4.813 -10.104 -18.086 785 HB2 SER 104 HB2 SER 104 -7.839 -10.018 -17.732 786 HB3 SER 104 HB1 SER 104 -6.919 -11.382 -18.378 787 HG SER 104 HG SER 104 -7.303 -10.556 -15.784 788 H SER 105 HN SER 105 -6.744 -7.313 -18.781 789 HA SER 105 HA SER 105 -7.415 -7.858 -21.514 790 HB2 SER 105 HB2 SER 105 -8.157 -5.477 -21.513 791 HB3 SER 105 HB1 SER 105 -8.751 -6.348 -20.102 792 HG SER 105 HG SER 105 -7.954 -4.514 -19.270 793 H GLY 106 HN GLY 106 -4.680 -6.366 -19.918 794 HA2 GLY 106 HA2 GLY 106 -2.524 -6.192 -20.713 795 HA3 GLY 106 HA1 GLY 106 -3.086 -6.572 -22.328 796 H TRP 107 HN TRP 107 -5.095 -4.295 -22.275 797 HA TRP 107 HA TRP 107 -3.305 -2.300 -23.330 798 HB2 TRP 107 HB2 TRP 107 -5.384 -0.975 -23.827 799 HB3 TRP 107 HB1 TRP 107 -5.389 -2.593 -24.506 800 HD1 TRP 107 HD1 TRP 107 -7.204 -4.325 -23.554 801 HE1 TRP 107 HE1 TRP 107 -9.386 -3.989 -22.248 802 HE3 TRP 107 HE3 TRP 107 -6.521 0.509 -22.017 803 HZ2 TRP 107 HZ2 TRP 107 -10.667 -1.979 -20.772 804 HZ3 TRP 107 HZ3 TRP 107 -8.280 1.564 -20.658 805 HH2 TRP 107 HH2 TRP 107 -10.312 0.347 -20.051 806 H ASP 108 HN ASP 108 -3.249 -0.043 -22.702 807 HA ASP 108 HA ASP 108 -2.696 0.131 -19.894 808 HB2 ASP 108 HB2 ASP 108 -1.192 1.147 -21.604 809 HB3 ASP 108 HB1 ASP 108 -2.447 2.330 -21.971 810 H THR 109 HN THR 109 -3.864 0.986 -18.347 811 HA THR 109 HA THR 109 -6.371 2.399 -18.997 812 HB THR 109 HB THR 109 -7.010 0.135 -18.541 813 HG1 THR 109 HG1 THR 109 -7.521 1.280 -16.027 814 HG21 THR 109 HG21 THR 109 -6.453 -1.097 -16.481 815 HG22 THR 109 HG22 THR 109 -5.418 0.229 -15.949 816 HG23 THR 109 HG23 THR 109 -4.992 -0.700 -17.389 817 HA PRO 110 HA PRO 110 -4.473 5.270 -15.960 818 HB2 PRO 110 HB2 PRO 110 -6.359 7.250 -16.259 819 HB3 PRO 110 HB1 PRO 110 -5.009 7.020 -17.380 820 HG2 PRO 110 HG2 PRO 110 -7.868 6.084 -17.638 821 HG3 PRO 110 HG1 PRO 110 -6.835 6.871 -18.855 822 HD2 PRO 110 HD2 PRO 110 -7.210 4.194 -18.849 823 HD3 PRO 110 HD1 PRO 110 -5.646 4.904 -19.306 824 H ASP 111 HN ASP 111 -4.869 3.971 -14.139 825 HA ASP 111 HA ASP 111 -7.551 4.005 -12.903 826 HB2 ASP 111 HB2 ASP 111 -6.237 1.840 -13.118 827 HB3 ASP 111 HB1 ASP 111 -5.066 2.492 -11.981 828 H TYR 112 HN TYR 112 -4.192 4.724 -12.142 829 HA TYR 112 HA TYR 112 -4.956 6.602 -9.997 830 HB2 TYR 112 HB2 TYR 112 -2.281 5.198 -10.512 831 HB3 TYR 112 HB1 TYR 112 -2.586 6.345 -9.212 832 HD1 TYR 112 HD1 TYR 112 -2.789 2.868 -10.206 833 HD2 TYR 112 HD2 TYR 112 -4.288 5.739 -7.411 834 HE1 TYR 112 HE1 TYR 112 -3.542 1.046 -8.725 835 HE2 TYR 112 HE2 TYR 112 -5.033 3.924 -5.941 836 HH TYR 112 HH TYR 112 -4.130 0.661 -6.404 837 H TRP 113 HN TRP 113 -4.184 8.705 -10.141 838 HA TRP 113 HA TRP 113 -2.628 9.475 -12.546 839 HB2 TRP 113 HB2 TRP 113 -4.890 11.017 -11.177 840 HB3 TRP 113 HB1 TRP 113 -3.863 11.684 -12.446 841 HD1 TRP 113 HD1 TRP 113 -4.209 10.716 -14.953 842 HE1 TRP 113 HE1 TRP 113 -6.178 9.494 -16.058 843 HE3 TRP 113 HE3 TRP 113 -6.822 9.384 -10.754 844 HZ2 TRP 113 HZ2 TRP 113 -8.512 8.141 -15.280 845 HZ3 TRP 113 HZ3 TRP 113 -8.924 8.126 -11.029 846 HH2 TRP 113 HH2 TRP 113 -9.752 7.519 -13.249 847 H GLY 114 HN GLY 114 -0.901 10.830 -12.235 848 HA2 GLY 114 HA2 GLY 114 0.239 10.872 -9.579 849 HA3 GLY 114 HA1 GLY 114 0.991 11.435 -11.064 850 H GLN 115 HN GLN 115 1.690 13.426 -10.555 851 HA GLN 115 HA GLN 115 -0.037 15.278 -9.043 852 HB2 GLN 115 HB2 GLN 115 2.038 16.694 -8.884 853 HB3 GLN 115 HB1 GLN 115 2.188 15.104 -8.141 854 HG2 GLN 115 HG2 GLN 115 3.355 14.323 -10.230 855 HG3 GLN 115 HG1 GLN 115 3.333 15.989 -10.806 856 HE21 GLN 115 HE21 GLN 115 4.725 17.491 -9.843 857 HE22 GLN 115 HE22 GLN 115 6.012 17.017 -8.797 858 H GLY 116 HN GLY 116 1.333 14.770 -12.227 859 HA2 GLY 116 HA2 GLY 116 0.833 15.743 -14.255 860 HA3 GLY 116 HA1 GLY 116 -0.343 16.768 -13.445 861 H THR 117 HN THR 117 2.475 16.856 -15.177 862 HA THR 117 HA THR 117 3.628 19.149 -13.730 863 HB THR 117 HB THR 117 5.204 17.335 -14.212 864 HG1 THR 117 HG1 THR 117 5.985 19.481 -14.185 865 HG21 THR 117 HG21 THR 117 5.944 16.810 -16.507 866 HG22 THR 117 HG22 THR 117 4.700 17.877 -17.161 867 HG23 THR 117 HG23 THR 117 4.236 16.417 -16.284 868 H GLN 118 HN GLN 118 3.303 21.150 -14.402 869 HA GLN 118 HA GLN 118 1.693 21.766 -16.717 870 HB2 GLN 118 HB2 GLN 118 2.623 23.207 -14.277 871 HB3 GLN 118 HB1 GLN 118 2.465 24.240 -15.685 872 HG2 GLN 118 HG2 GLN 118 0.221 22.450 -14.704 873 HG3 GLN 118 HG1 GLN 118 0.455 24.114 -14.158 874 HE21 GLN 118 HE21 GLN 118 -0.378 22.100 -16.909 875 HE22 GLN 118 HE22 GLN 118 -1.077 23.353 -17.863 876 H VAL 119 HN VAL 119 2.793 21.464 -18.602 877 HA VAL 119 HA VAL 119 5.330 22.874 -19.075 878 HB VAL 119 HB VAL 119 5.379 21.793 -21.263 879 HG11 VAL 119 HG11 VAL 119 5.454 19.397 -20.609 880 HG12 VAL 119 HG12 VAL 119 4.602 19.787 -19.111 881 HG13 VAL 119 HG13 VAL 119 6.214 20.439 -19.406 882 HG21 VAL 119 HG21 VAL 119 3.621 20.263 -22.070 883 HG22 VAL 119 HG22 VAL 119 2.977 21.888 -21.828 884 HG23 VAL 119 HG23 VAL 119 2.638 20.624 -20.645 885 H THR 120 HN THR 120 5.413 24.799 -20.201 886 HA THR 120 HA THR 120 3.033 25.669 -21.733 887 HB THR 120 HB THR 120 4.664 27.468 -19.873 888 HG1 THR 120 HG1 THR 120 2.375 25.990 -19.513 889 HG21 THR 120 HG21 THR 120 2.993 29.217 -20.404 890 HG22 THR 120 HG22 THR 120 2.232 28.143 -21.574 891 HG23 THR 120 HG23 THR 120 3.873 28.723 -21.850 892 H VAL 121 HN VAL 121 3.824 25.483 -23.771 893 HA VAL 121 HA VAL 121 6.622 26.131 -24.312 894 HB VAL 121 HB VAL 121 4.461 25.020 -26.155 895 HG11 VAL 121 HG11 VAL 121 6.123 26.291 -27.463 896 HG12 VAL 121 HG12 VAL 121 6.288 24.560 -27.761 897 HG13 VAL 121 HG13 VAL 121 7.436 25.387 -26.702 898 HG21 VAL 121 HG21 VAL 121 5.719 22.893 -25.958 899 HG22 VAL 121 HG22 VAL 121 5.131 23.440 -24.385 900 HG23 VAL 121 HG23 VAL 121 6.832 23.652 -24.814 901 H SER 122 HN SER 122 6.798 28.301 -24.078 902 HA SER 122 HA SER 122 5.312 30.400 -25.047 903 HB2 SER 122 HB2 SER 122 7.351 30.646 -23.676 904 HB3 SER 122 HB1 SER 122 8.351 30.131 -25.034 905 HG SER 122 HG SER 122 8.316 32.391 -24.882 906 H SER 123 HN SER 123 4.788 31.206 -27.048 907 HA SER 123 HA SER 123 5.636 29.877 -29.463 908 HB2 SER 123 HB2 SER 123 4.164 31.666 -30.560 909 HB3 SER 123 HB1 SER 123 3.351 30.640 -29.377 910 HG SER 123 HG SER 123 4.355 33.264 -28.914 911 H LEU 124 HN LEU 124 7.921 30.229 -29.283 912 HA LEU 124 HA LEU 124 9.877 31.042 -30.021 913 HB2 LEU 124 HB2 LEU 124 8.066 32.818 -31.683 914 HB3 LEU 124 HB1 LEU 124 9.810 32.888 -31.822 915 HG LEU 124 HG LEU 124 9.029 31.562 -33.634 916 HD11 LEU 124 HD11 LEU 124 11.072 30.745 -32.602 917 HD12 LEU 124 HD12 LEU 124 10.146 29.437 -33.329 918 HD13 LEU 124 HD13 LEU 124 10.144 29.649 -31.574 919 HD21 LEU 124 HD21 LEU 124 6.802 31.001 -32.860 920 HD22 LEU 124 HD22 LEU 124 7.455 29.861 -31.683 921 HD23 LEU 124 HD23 LEU 124 7.637 29.548 -33.412 922 H GLU 125 HN GLU 125 8.273 32.619 -27.758 923 HA GLU 125 HA GLU 125 9.758 35.143 -27.740 924 HB2 GLU 125 HB2 GLU 125 7.227 34.711 -27.006 925 HB3 GLU 125 HB1 GLU 125 7.949 34.242 -25.478 926 HG2 GLU 125 HG2 GLU 125 8.322 36.950 -26.799 927 HG3 GLU 125 HG1 GLU 125 7.103 36.599 -25.588 928 H HIS 126 HN HIS 126 11.284 35.679 -26.131 929 HA HIS 126 HA HIS 126 12.934 33.408 -25.331 930 HB2 HIS 126 HB2 HIS 126 13.483 36.407 -25.211 931 HB3 HIS 126 HB1 HIS 126 14.668 35.143 -24.885 932 HD1 HIS 126 HD1 HIS 126 15.382 33.665 -26.944 933 HD2 HIS 126 HD2 HIS 126 13.133 37.029 -27.881 934 HE1 HIS 126 HE1 HIS 126 15.664 33.989 -29.411 935 HE2 HIS 126 HE2 HIS 126 14.463 36.149 -29.917 936 H HIS 127 HN HIS 127 12.354 32.497 -23.440 937 HA HIS 127 HA HIS 127 11.561 34.011 -21.091 938 HB2 HIS 127 HB2 HIS 127 11.533 31.819 -19.934 939 HB3 HIS 127 HB1 HIS 127 10.636 31.744 -21.441 940 HD1 HIS 127 HD1 HIS 127 13.373 30.154 -19.605 941 HD2 HIS 127 HD2 HIS 127 12.031 30.252 -23.538 942 HE1 HIS 127 HE1 HIS 127 14.430 28.170 -20.720 943 HE2 HIS 127 HE2 HIS 127 13.484 28.168 -23.046 944 H HIS 128 HN HIS 128 12.855 34.455 -19.299 945 HA HIS 128 HA HIS 128 15.767 33.950 -19.564 946 HB2 HIS 128 HB2 HIS 128 15.047 36.356 -20.080 947 HB3 HIS 128 HB1 HIS 128 14.545 36.496 -18.397 948 HD1 HIS 128 HD1 HIS 128 17.607 36.070 -20.541 949 HD2 HIS 128 HD2 HIS 128 16.616 36.925 -16.599 950 HE1 HIS 128 HE1 HIS 128 19.766 36.716 -19.433 951 HE2 HIS 128 HE2 HIS 128 19.096 37.444 -17.113 952 H HIS 129 HN HIS 129 16.402 32.657 -18.001 953 HA HIS 129 HA HIS 129 14.873 32.162 -15.596 954 HB2 HIS 129 HB2 HIS 129 15.964 30.314 -16.852 955 HB3 HIS 129 HB1 HIS 129 17.546 31.018 -16.541 956 HD1 HIS 129 HD1 HIS 129 14.708 29.229 -14.800 957 HD2 HIS 129 HD2 HIS 129 18.642 30.361 -14.080 958 HE1 HIS 129 HE1 HIS 129 15.354 28.105 -12.639 959 HE2 HIS 129 HE2 HIS 129 17.689 28.915 -12.165 960 H HIS 130 HN HIS 130 17.712 33.998 -16.463 961 HA HIS 130 HA HIS 130 18.958 35.553 -15.422 962 HB2 HIS 130 HB2 HIS 130 17.047 36.533 -14.348 963 HB3 HIS 130 HB1 HIS 130 16.941 35.230 -13.177 964 HD1 HIS 130 HD1 HIS 130 17.830 35.803 -10.940 965 HD2 HIS 130 HD2 HIS 130 19.580 38.134 -13.904 966 HE1 HIS 130 HE1 HIS 130 19.298 37.441 -9.728 967 HE2 HIS 130 HE2 HIS 130 20.354 38.833 -11.537 968 H HIS 131 HN HIS 131 18.210 33.503 -12.578 969 HA HIS 131 HA HIS 131 20.701 32.100 -12.584 970 HB2 HIS 131 HB2 HIS 131 21.593 34.283 -11.833 971 HB3 HIS 131 HB1 HIS 131 20.365 34.387 -10.578 972 HD1 HIS 131 HD1 HIS 131 23.570 32.618 -11.438 973 HD2 HIS 131 HD2 HIS 131 20.973 33.021 -8.224 974 HE1 HIS 131 HE1 HIS 131 24.783 31.622 -9.474 975 HE2 HIS 131 HE2 HIS 131 23.218 31.952 -7.517 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 4.266 4.002 -0.949 2 H2 MET 1 HT2 MET 1 4.165 3.828 0.726 3 H3 MET 1 HT3 MET 1 3.278 5.038 -0.051 4 HA MET 1 HA MET 1 2.896 2.127 -0.428 5 HB2 MET 1 HB2 MET 1 2.213 3.274 1.838 6 HB3 MET 1 HB1 MET 1 0.943 4.049 0.905 7 HG2 MET 1 HG2 MET 1 1.283 1.048 1.154 8 HG3 MET 1 HG1 MET 1 0.227 2.020 2.176 9 HE1 MET 1 HE1 MET 1 -1.752 0.319 1.528 10 HE2 MET 1 HE2 MET 1 -0.709 -0.578 0.422 11 HE3 MET 1 HE3 MET 1 -2.274 0.021 -0.130 12 H GLN 2 HN GLN 2 0.944 1.678 -1.799 13 HA GLN 2 HA GLN 2 -0.249 1.851 -3.729 14 HB2 GLN 2 HB2 GLN 2 -0.130 4.868 -3.254 15 HB3 GLN 2 HB1 GLN 2 -1.127 4.090 -4.481 16 HG2 GLN 2 HG2 GLN 2 -2.437 2.977 -2.725 17 HG3 GLN 2 HG1 GLN 2 -1.415 3.701 -1.483 18 HE21 GLN 2 HE21 GLN 2 -4.337 3.973 -2.002 19 HE22 GLN 2 HE22 GLN 2 -4.622 5.674 -2.148 20 H LEU 3 HN LEU 3 -0.147 3.164 -6.021 21 HA LEU 3 HA LEU 3 2.633 3.192 -6.918 22 HB2 LEU 3 HB2 LEU 3 0.807 2.164 -8.305 23 HB3 LEU 3 HB1 LEU 3 0.072 3.738 -8.485 24 HG LEU 3 HG LEU 3 1.395 2.857 -10.491 25 HD11 LEU 3 HD11 LEU 3 2.339 5.006 -11.132 26 HD12 LEU 3 HD12 LEU 3 2.259 5.570 -9.462 27 HD13 LEU 3 HD13 LEU 3 0.775 5.215 -10.347 28 HD21 LEU 3 HD21 LEU 3 3.834 3.098 -10.500 29 HD22 LEU 3 HD22 LEU 3 3.321 1.914 -9.302 30 HD23 LEU 3 HD23 LEU 3 3.818 3.527 -8.786 31 H GLN 4 HN GLN 4 3.783 4.949 -6.571 32 HA GLN 4 HA GLN 4 2.571 7.657 -6.613 33 HB2 GLN 4 HB2 GLN 4 5.003 6.684 -5.039 34 HB3 GLN 4 HB1 GLN 4 4.353 8.323 -5.017 35 HG2 GLN 4 HG2 GLN 4 2.307 7.520 -3.943 36 HG3 GLN 4 HG1 GLN 4 2.882 5.855 -4.046 37 HE21 GLN 4 HE21 GLN 4 3.211 8.905 -2.385 38 HE22 GLN 4 HE22 GLN 4 4.179 8.320 -1.079 39 H LEU 5 HN LEU 5 3.453 9.052 -8.055 40 HA LEU 5 HA LEU 5 6.110 8.521 -9.240 41 HB2 LEU 5 HB2 LEU 5 3.580 9.319 -10.719 42 HB3 LEU 5 HB1 LEU 5 5.177 9.395 -11.432 43 HG LEU 5 HG LEU 5 3.854 6.829 -10.456 44 HD11 LEU 5 HD11 LEU 5 3.485 6.264 -12.806 45 HD12 LEU 5 HD12 LEU 5 4.132 7.828 -13.307 46 HD13 LEU 5 HD13 LEU 5 2.632 7.748 -12.381 47 HD21 LEU 5 HD21 LEU 5 6.387 7.229 -12.092 48 HD22 LEU 5 HD22 LEU 5 5.654 5.676 -11.680 49 HD23 LEU 5 HD23 LEU 5 6.304 6.702 -10.407 50 H VAL 6 HN VAL 6 7.396 10.193 -8.836 51 HA VAL 6 HA VAL 6 6.352 12.869 -8.220 52 HB VAL 6 HB VAL 6 9.223 11.870 -7.886 53 HG11 VAL 6 HG11 VAL 6 9.453 13.799 -6.328 54 HG12 VAL 6 HG12 VAL 6 7.799 14.291 -6.694 55 HG13 VAL 6 HG13 VAL 6 9.029 14.326 -7.959 56 HG21 VAL 6 HG21 VAL 6 7.009 11.899 -5.794 57 HG22 VAL 6 HG22 VAL 6 8.708 11.532 -5.482 58 HG23 VAL 6 HG23 VAL 6 7.750 10.464 -6.511 59 H GLU 7 HN GLU 7 6.155 14.099 -9.990 60 HA GLU 7 HA GLU 7 7.838 13.556 -12.358 61 HB2 GLU 7 HB2 GLU 7 5.313 13.198 -12.363 62 HB3 GLU 7 HB1 GLU 7 5.133 14.940 -12.229 63 HG2 GLU 7 HG2 GLU 7 6.076 15.293 -14.397 64 HG3 GLU 7 HG1 GLU 7 6.639 13.619 -14.496 65 H SER 8 HN SER 8 8.578 15.311 -13.656 66 HA SER 8 HA SER 8 8.541 18.035 -12.695 67 HB2 SER 8 HB2 SER 8 11.055 18.143 -12.383 68 HB3 SER 8 HB1 SER 8 10.227 17.171 -11.168 69 HG SER 8 HG SER 8 10.774 15.430 -12.933 70 H GLY 9 HN GLY 9 10.109 19.401 -14.031 71 HA2 GLY 9 HA2 GLY 9 11.254 19.746 -16.126 72 HA3 GLY 9 HA1 GLY 9 10.278 18.474 -16.848 73 H GLY 10 HN GLY 10 8.232 20.154 -14.887 74 HA2 GLY 10 HA2 GLY 10 6.737 21.272 -17.026 75 HA3 GLY 10 HA1 GLY 10 6.402 21.460 -15.319 76 H GLY 11 HN GLY 11 7.084 23.120 -18.071 77 HA2 GLY 11 HA2 GLY 11 7.110 25.651 -16.835 78 HA3 GLY 11 HA1 GLY 11 8.760 25.253 -17.314 79 H LEU 12 HN LEU 12 7.972 27.389 -18.526 80 HA LEU 12 HA LEU 12 6.598 26.781 -21.014 81 HB2 LEU 12 HB2 LEU 12 6.120 28.895 -19.785 82 HB3 LEU 12 HB1 LEU 12 7.755 29.415 -20.094 83 HG LEU 12 HG LEU 12 6.012 28.779 -22.478 84 HD11 LEU 12 HD11 LEU 12 5.116 31.068 -22.538 85 HD12 LEU 12 HD12 LEU 12 5.825 31.397 -20.955 86 HD13 LEU 12 HD13 LEU 12 4.551 30.188 -21.121 87 HD21 LEU 12 HD21 LEU 12 7.299 30.584 -23.563 88 HD22 LEU 12 HD22 LEU 12 8.372 29.358 -22.898 89 HD23 LEU 12 HD23 LEU 12 8.164 30.893 -22.054 90 H VAL 13 HN VAL 13 7.608 26.195 -22.803 91 HA VAL 13 HA VAL 13 10.327 27.234 -23.403 92 HB VAL 13 HB VAL 13 10.680 25.284 -24.903 93 HG11 VAL 13 HG11 VAL 13 10.995 23.516 -23.197 94 HG12 VAL 13 HG12 VAL 13 9.950 24.400 -22.082 95 HG13 VAL 13 HG13 VAL 13 11.494 25.095 -22.582 96 HG21 VAL 13 HG21 VAL 13 8.018 24.220 -23.864 97 HG22 VAL 13 HG22 VAL 13 9.140 23.333 -24.901 98 HG23 VAL 13 HG23 VAL 13 8.338 24.782 -25.509 99 H GLN 14 HN GLN 14 10.591 28.009 -25.573 100 HA GLN 14 HA GLN 14 8.210 29.063 -26.832 101 HB2 GLN 14 HB2 GLN 14 9.673 30.171 -28.423 102 HB3 GLN 14 HB1 GLN 14 10.370 30.357 -26.823 103 HG2 GLN 14 HG2 GLN 14 11.316 28.300 -28.850 104 HG3 GLN 14 HG1 GLN 14 12.024 29.907 -28.669 105 HE21 GLN 14 HE21 GLN 14 11.672 26.741 -27.196 106 HE22 GLN 14 HE22 GLN 14 12.957 26.927 -26.051 107 H ALA 15 HN ALA 15 7.408 28.527 -28.902 108 HA ALA 15 HA ALA 15 7.369 25.867 -29.758 109 HB1 ALA 15 HB1 ALA 15 6.717 28.358 -31.377 110 HB2 ALA 15 HB2 ALA 15 5.599 27.485 -30.328 111 HB3 ALA 15 HB3 ALA 15 6.229 26.710 -31.783 112 H GLY 16 HN GLY 16 8.703 24.690 -31.005 113 HA2 GLY 16 HA2 GLY 16 10.221 24.352 -32.836 114 HA3 GLY 16 HA1 GLY 16 10.901 25.952 -32.547 115 H GLY 17 HN GLY 17 10.767 25.444 -29.585 116 HA2 GLY 17 HA2 GLY 17 13.390 24.264 -29.250 117 HA3 GLY 17 HA1 GLY 17 12.373 24.974 -28.004 118 H SER 18 HN SER 18 13.525 22.932 -27.056 119 HA SER 18 HA SER 18 11.769 20.551 -27.304 120 HB2 SER 18 HB2 SER 18 14.751 20.586 -26.646 121 HB3 SER 18 HB1 SER 18 13.739 19.157 -26.870 122 HG SER 18 HG SER 18 14.499 21.077 -28.807 123 H LEU 19 HN LEU 19 11.745 19.212 -25.324 124 HA LEU 19 HA LEU 19 12.560 20.308 -22.790 125 HB2 LEU 19 HB2 LEU 19 10.463 21.582 -23.198 126 HB3 LEU 19 HB1 LEU 19 9.580 20.078 -23.404 127 HG LEU 19 HG LEU 19 9.966 19.499 -21.024 128 HD11 LEU 19 HD11 LEU 19 12.139 20.570 -20.675 129 HD12 LEU 19 HD12 LEU 19 10.980 21.104 -19.461 130 HD13 LEU 19 HD13 LEU 19 11.396 22.169 -20.805 131 HD21 LEU 19 HD21 LEU 19 8.520 21.201 -19.994 132 HD22 LEU 19 HD22 LEU 19 7.937 20.764 -21.598 133 HD23 LEU 19 HD23 LEU 19 8.799 22.286 -21.361 134 H ARG 20 HN ARG 20 13.214 18.594 -21.651 135 HA ARG 20 HA ARG 20 11.999 15.945 -22.074 136 HB2 ARG 20 HB2 ARG 20 14.477 16.042 -22.193 137 HB3 ARG 20 HB1 ARG 20 14.537 16.698 -20.557 138 HG2 ARG 20 HG2 ARG 20 13.528 14.595 -19.691 139 HG3 ARG 20 HG1 ARG 20 13.508 13.939 -21.331 140 HD2 ARG 20 HD2 ARG 20 15.989 14.748 -19.771 141 HD3 ARG 20 HD1 ARG 20 15.421 13.092 -20.014 142 HE ARG 20 HE ARG 20 15.762 14.354 -22.518 143 HH11 ARG 20 HH11 ARG 20 17.741 13.094 -19.898 144 HH12 ARG 20 HH12 ARG 20 19.069 12.705 -20.945 145 HH21 ARG 20 HH21 ARG 20 17.506 13.855 -23.857 146 HH22 ARG 20 HH22 ARG 20 18.931 13.131 -23.183 147 H LEU 21 HN LEU 21 10.606 15.182 -20.647 148 HA LEU 21 HA LEU 21 10.287 16.318 -17.969 149 HB2 LEU 21 HB2 LEU 21 8.606 14.287 -19.510 150 HB3 LEU 21 HB1 LEU 21 8.254 14.830 -17.883 151 HG LEU 21 HG LEU 21 6.754 15.999 -19.313 152 HD11 LEU 21 HD11 LEU 21 7.288 18.344 -18.987 153 HD12 LEU 21 HD12 LEU 21 8.977 17.946 -18.670 154 HD13 LEU 21 HD13 LEU 21 7.716 17.401 -17.561 155 HD21 LEU 21 HD21 LEU 21 9.081 16.824 -21.073 156 HD22 LEU 21 HD22 LEU 21 7.396 17.318 -21.276 157 HD23 LEU 21 HD23 LEU 21 7.845 15.625 -21.467 158 H SER 22 HN SER 22 10.268 14.905 -16.128 159 HA SER 22 HA SER 22 11.481 12.240 -16.371 160 HB2 SER 22 HB2 SER 22 13.379 13.865 -16.084 161 HB3 SER 22 HB1 SER 22 12.648 14.436 -14.583 162 HG SER 22 HG SER 22 13.321 12.686 -13.589 163 H CYS 23 HN CYS 23 10.549 10.853 -14.928 164 HA CYS 23 HA CYS 23 8.880 11.889 -12.725 165 HB2 CYS 23 HB2 CYS 23 7.490 11.649 -14.826 166 HB3 CYS 23 HB1 CYS 23 7.850 9.925 -14.824 167 HG CYS 23 HG CYS 23 5.290 11.238 -13.611 168 H VAL 24 HN VAL 24 9.838 10.916 -11.030 169 HA VAL 24 HA VAL 24 11.129 8.312 -11.214 170 HB VAL 24 HB VAL 24 10.844 10.070 -8.732 171 HG11 VAL 24 HG11 VAL 24 12.903 7.944 -9.453 172 HG12 VAL 24 HG12 VAL 24 11.610 7.777 -8.263 173 HG13 VAL 24 HG13 VAL 24 12.918 8.927 -7.985 174 HG21 VAL 24 HG21 VAL 24 11.828 11.446 -10.524 175 HG22 VAL 24 HG22 VAL 24 13.051 10.208 -10.825 176 HG23 VAL 24 HG23 VAL 24 13.034 11.075 -9.288 177 H ALA 25 HN ALA 25 10.496 6.457 -10.014 178 HA ALA 25 HA ALA 25 7.671 6.299 -9.308 179 HB1 ALA 25 HB1 ALA 25 8.601 4.602 -10.824 180 HB2 ALA 25 HB2 ALA 25 8.015 3.860 -9.335 181 HB3 ALA 25 HB3 ALA 25 9.748 4.096 -9.581 182 H SER 26 HN SER 26 7.346 7.118 -7.356 183 HA SER 26 HA SER 26 7.298 7.580 -5.190 184 HB2 SER 26 HB2 SER 26 7.572 5.660 -3.578 185 HB3 SER 26 HB1 SER 26 6.488 5.329 -4.923 186 HG SER 26 HG SER 26 8.098 4.100 -5.886 187 H GLY 27 HN GLY 27 10.154 5.482 -5.021 188 HA2 GLY 27 HA2 GLY 27 11.899 7.816 -4.479 189 HA3 GLY 27 HA1 GLY 27 11.939 6.393 -3.432 190 H ARG 28 HN ARG 28 12.159 4.255 -4.663 191 HA ARG 28 HA ARG 28 13.321 4.257 -7.298 192 HB2 ARG 28 HB2 ARG 28 15.286 4.938 -5.840 193 HB3 ARG 28 HB1 ARG 28 15.127 3.420 -4.965 194 HG2 ARG 28 HG2 ARG 28 15.718 2.149 -6.959 195 HG3 ARG 28 HG1 ARG 28 15.703 3.611 -7.945 196 HD2 ARG 28 HD2 ARG 28 17.626 3.126 -5.641 197 HD3 ARG 28 HD1 ARG 28 17.996 2.800 -7.339 198 HE ARG 28 HE ARG 28 17.203 5.386 -7.390 199 HH11 ARG 28 HH11 ARG 28 19.602 3.762 -5.412 200 HH12 ARG 28 HH12 ARG 28 20.625 5.156 -5.314 201 HH21 ARG 28 HH21 ARG 28 18.554 7.190 -7.245 202 HH22 ARG 28 HH22 ARG 28 20.040 7.082 -6.356 203 H THR 29 HN THR 29 11.019 3.116 -6.127 204 HA THR 29 HA THR 29 11.597 0.202 -6.160 205 HB THR 29 HB THR 29 9.075 1.629 -5.176 206 HG1 THR 29 HG1 THR 29 11.460 0.860 -3.942 207 HG21 THR 29 HG21 THR 29 9.880 -1.299 -4.882 208 HG22 THR 29 HG22 THR 29 8.612 -0.698 -5.956 209 HG23 THR 29 HG23 THR 29 8.435 -0.542 -4.206 210 H PHE 30 HN PHE 30 10.324 -1.143 -7.507 211 HA PHE 30 HA PHE 30 9.231 0.169 -9.914 212 HB2 PHE 30 HB2 PHE 30 9.667 -2.032 -11.054 213 HB3 PHE 30 HB1 PHE 30 11.119 -1.246 -10.461 214 HD1 PHE 30 HD1 PHE 30 12.191 -2.118 -8.288 215 HD2 PHE 30 HD2 PHE 30 9.151 -4.280 -10.387 216 HE1 PHE 30 HE1 PHE 30 12.854 -4.185 -7.132 217 HE2 PHE 30 HE2 PHE 30 9.817 -6.340 -9.219 218 HZ PHE 30 HZ PHE 30 11.667 -6.294 -7.592 219 H ARG 31 HN ARG 31 7.142 0.035 -10.262 220 HA ARG 31 HA ARG 31 5.511 -2.214 -9.392 221 HB2 ARG 31 HB2 ARG 31 5.404 -0.706 -7.433 222 HB3 ARG 31 HB1 ARG 31 4.946 0.647 -8.465 223 HG2 ARG 31 HG2 ARG 31 2.832 -0.509 -9.041 224 HG3 ARG 31 HG1 ARG 31 3.291 -1.865 -8.008 225 HD2 ARG 31 HD2 ARG 31 3.185 -0.453 -6.033 226 HD3 ARG 31 HD1 ARG 31 2.893 0.979 -7.031 227 HE ARG 31 HE ARG 31 0.824 -0.415 -7.784 228 HH11 ARG 31 HH11 ARG 31 2.055 -0.237 -4.510 229 HH12 ARG 31 HH12 ARG 31 0.496 -0.483 -3.796 230 HH21 ARG 31 HH21 ARG 31 -1.181 -0.734 -6.830 231 HH22 ARG 31 HH22 ARG 31 -1.326 -0.737 -5.104 232 H SER 32 HN SER 32 3.643 -2.429 -10.608 233 HA SER 32 HA SER 32 2.232 -2.345 -12.329 234 HB2 SER 32 HB2 SER 32 1.631 -0.085 -11.463 235 HB3 SER 32 HB1 SER 32 2.863 0.638 -12.496 236 HG SER 32 HG SER 32 1.316 0.709 -13.920 237 H ASN 33 HN ASN 33 2.750 -3.371 -14.134 238 HA ASN 33 HA ASN 33 5.202 -2.853 -15.605 239 HB2 ASN 33 HB2 ASN 33 2.973 -4.883 -16.086 240 HB3 ASN 33 HB1 ASN 33 4.502 -4.839 -16.962 241 HD21 ASN 33 HD21 ASN 33 3.453 -7.013 -15.383 242 HD22 ASN 33 HD22 ASN 33 4.582 -7.312 -14.113 243 H ALA 34 HN ALA 34 2.375 -1.235 -15.635 244 HA ALA 34 HA ALA 34 2.805 -0.348 -18.429 245 HB1 ALA 34 HB1 ALA 34 0.687 -1.617 -18.311 246 HB2 ALA 34 HB2 ALA 34 0.374 0.091 -18.612 247 HB3 ALA 34 HB3 ALA 34 0.118 -0.582 -16.999 248 H MET 35 HN MET 35 3.590 1.662 -18.353 249 HA MET 35 HA MET 35 2.407 3.732 -16.611 250 HB2 MET 35 HB2 MET 35 5.401 3.294 -17.105 251 HB3 MET 35 HB1 MET 35 4.741 4.789 -16.460 252 HG2 MET 35 HG2 MET 35 3.967 3.605 -14.464 253 HG3 MET 35 HG1 MET 35 4.582 2.080 -15.117 254 HE1 MET 35 HE1 MET 35 5.890 1.934 -12.654 255 HE2 MET 35 HE2 MET 35 5.356 3.560 -12.223 256 HE3 MET 35 HE3 MET 35 7.067 3.143 -12.141 257 H GLY 36 HN GLY 36 1.654 5.331 -17.976 258 HA2 GLY 36 HA2 GLY 36 2.781 5.487 -20.720 259 HA3 GLY 36 HA1 GLY 36 1.054 5.487 -20.407 260 H TRP 37 HN TRP 37 3.038 7.485 -21.616 261 HA TRP 37 HA TRP 37 2.609 9.834 -19.939 262 HB2 TRP 37 HB2 TRP 37 3.939 9.481 -22.661 263 HB3 TRP 37 HB1 TRP 37 3.706 11.057 -21.904 264 HD1 TRP 37 HD1 TRP 37 5.899 7.948 -21.690 265 HE1 TRP 37 HE1 TRP 37 7.836 8.410 -20.077 266 HE3 TRP 37 HE3 TRP 37 4.282 12.383 -19.696 267 HZ2 TRP 37 HZ2 TRP 37 8.585 10.350 -18.180 268 HZ3 TRP 37 HZ3 TRP 37 5.673 13.478 -17.977 269 HH2 TRP 37 HH2 TRP 37 7.785 12.478 -17.235 270 H PHE 38 HN PHE 38 0.764 10.793 -19.944 271 HA PHE 38 HA PHE 38 -0.902 11.060 -22.377 272 HB2 PHE 38 HB2 PHE 38 -1.732 10.991 -19.425 273 HB3 PHE 38 HB1 PHE 38 -2.822 11.417 -20.741 274 HD1 PHE 38 HD1 PHE 38 -0.650 8.623 -19.501 275 HD2 PHE 38 HD2 PHE 38 -4.050 9.717 -21.847 276 HE1 PHE 38 HE1 PHE 38 -1.227 6.250 -19.773 277 HE2 PHE 38 HE2 PHE 38 -4.619 7.345 -22.113 278 HZ PHE 38 HZ PHE 38 -3.214 5.606 -21.081 279 H ARG 39 HN ARG 39 -2.228 13.138 -22.273 280 HA ARG 39 HA ARG 39 -1.170 15.292 -20.615 281 HB2 ARG 39 HB2 ARG 39 -0.757 16.833 -22.485 282 HB3 ARG 39 HB1 ARG 39 0.287 15.419 -22.602 283 HG2 ARG 39 HG2 ARG 39 -1.139 14.475 -24.365 284 HG3 ARG 39 HG1 ARG 39 -2.253 15.838 -24.216 285 HD2 ARG 39 HD2 ARG 39 -0.473 17.377 -24.918 286 HD3 ARG 39 HD1 ARG 39 0.650 16.021 -25.039 287 HE ARG 39 HE ARG 39 -1.557 15.449 -26.660 288 HH11 ARG 39 HH11 ARG 39 1.153 17.686 -26.555 289 HH12 ARG 39 HH12 ARG 39 1.134 17.991 -28.261 290 HH21 ARG 39 HH21 ARG 39 -1.533 15.804 -28.903 291 HH22 ARG 39 HH22 ARG 39 -0.383 16.904 -29.599 292 H GLN 40 HN GLN 40 -2.779 16.591 -19.992 293 HA GLN 40 HA GLN 40 -5.381 16.475 -21.406 294 HB2 GLN 40 HB2 GLN 40 -5.433 15.579 -19.099 295 HB3 GLN 40 HB1 GLN 40 -4.777 17.087 -18.474 296 HG2 GLN 40 HG2 GLN 40 -6.803 18.280 -19.112 297 HG3 GLN 40 HG1 GLN 40 -7.442 16.834 -19.897 298 HE21 GLN 40 HE21 GLN 40 -9.299 16.837 -18.600 299 HE22 GLN 40 HE22 GLN 40 -9.268 16.390 -16.933 300 H ALA 41 HN ALA 41 -6.057 18.295 -22.330 301 HA ALA 41 HA ALA 41 -4.542 20.794 -22.015 302 HB1 ALA 41 HB1 ALA 41 -4.908 19.928 -24.297 303 HB2 ALA 41 HB2 ALA 41 -5.703 21.488 -24.080 304 HB3 ALA 41 HB3 ALA 41 -6.654 19.999 -24.062 305 HA PRO 42 HA PRO 42 -7.642 22.954 -19.552 306 HB2 PRO 42 HB2 PRO 42 -7.541 25.154 -21.623 307 HB3 PRO 42 HB1 PRO 42 -7.374 25.255 -19.862 308 HG2 PRO 42 HG2 PRO 42 -5.215 25.427 -21.410 309 HG3 PRO 42 HG1 PRO 42 -5.151 24.494 -19.899 310 HD2 PRO 42 HD2 PRO 42 -5.383 23.497 -22.738 311 HD3 PRO 42 HD1 PRO 42 -4.433 22.842 -21.383 312 H GLY 43 HN GLY 43 -9.583 21.928 -19.664 313 HA2 GLY 43 HA2 GLY 43 -11.891 22.009 -20.103 314 HA3 GLY 43 HA1 GLY 43 -11.587 22.863 -21.604 315 H LYS 44 HN LYS 44 -9.479 20.312 -21.477 316 HA LYS 44 HA LYS 44 -11.250 18.482 -22.989 317 HB2 LYS 44 HB2 LYS 44 -8.239 18.887 -23.276 318 HB3 LYS 44 HB1 LYS 44 -9.208 17.743 -24.198 319 HG2 LYS 44 HG2 LYS 44 -9.735 20.730 -24.338 320 HG3 LYS 44 HG1 LYS 44 -8.487 19.971 -25.319 321 HD2 LYS 44 HD2 LYS 44 -10.406 20.144 -26.721 322 HD3 LYS 44 HD1 LYS 44 -10.293 18.445 -26.274 323 HE2 LYS 44 HE2 LYS 44 -12.116 18.705 -24.679 324 HE3 LYS 44 HE1 LYS 44 -12.155 20.447 -24.943 325 HZ1 LYS 44 HZ1 LYS 44 -12.814 20.022 -27.234 326 HZ2 LYS 44 HZ2 LYS 44 -13.910 19.343 -26.143 327 HZ3 LYS 44 HZ3 LYS 44 -12.800 18.360 -26.946 328 H GLU 45 HN GLU 45 -10.325 16.191 -22.973 329 HA GLU 45 HA GLU 45 -9.667 15.341 -20.225 330 HB2 GLU 45 HB2 GLU 45 -10.523 13.694 -22.638 331 HB3 GLU 45 HB1 GLU 45 -10.317 13.098 -20.994 332 HG2 GLU 45 HG2 GLU 45 -12.152 14.656 -20.276 333 HG3 GLU 45 HG1 GLU 45 -12.417 15.047 -21.978 334 H ARG 46 HN ARG 46 -8.238 13.193 -20.285 335 HA ARG 46 HA ARG 46 -5.659 14.026 -21.213 336 HB2 ARG 46 HB2 ARG 46 -4.709 12.183 -20.042 337 HB3 ARG 46 HB1 ARG 46 -6.012 12.790 -19.047 338 HG2 ARG 46 HG2 ARG 46 -6.157 10.269 -20.740 339 HG3 ARG 46 HG1 ARG 46 -5.770 10.306 -19.025 340 HD2 ARG 46 HD2 ARG 46 -8.014 9.793 -18.886 341 HD3 ARG 46 HD1 ARG 46 -8.143 11.551 -18.887 342 HE ARG 46 HE ARG 46 -8.274 10.506 -21.540 343 HH11 ARG 46 HH11 ARG 46 -10.260 10.989 -18.671 344 HH12 ARG 46 HH12 ARG 46 -11.753 10.854 -19.543 345 HH21 ARG 46 HH21 ARG 46 -10.232 10.340 -22.658 346 HH22 ARG 46 HH22 ARG 46 -11.737 10.509 -21.812 347 H GLU 47 HN GLU 47 -4.748 13.638 -23.106 348 HA GLU 47 HA GLU 47 -5.802 11.701 -25.010 349 HB2 GLU 47 HB2 GLU 47 -5.386 13.992 -25.828 350 HB3 GLU 47 HB1 GLU 47 -3.716 13.923 -25.271 351 HG2 GLU 47 HG2 GLU 47 -3.264 12.107 -26.908 352 HG3 GLU 47 HG1 GLU 47 -4.927 12.223 -27.479 353 H PHE 48 HN PHE 48 -4.745 9.864 -25.501 354 HA PHE 48 HA PHE 48 -2.424 8.946 -24.100 355 HB2 PHE 48 HB2 PHE 48 -4.240 7.443 -24.899 356 HB3 PHE 48 HB1 PHE 48 -3.846 7.837 -26.566 357 HD1 PHE 48 HD1 PHE 48 -2.369 6.399 -27.740 358 HD2 PHE 48 HD2 PHE 48 -2.304 6.390 -23.467 359 HE1 PHE 48 HE1 PHE 48 -0.813 4.497 -27.762 360 HE2 PHE 48 HE2 PHE 48 -0.755 4.493 -23.496 361 HZ PHE 48 HZ PHE 48 -0.005 3.543 -25.639 362 H VAL 49 HN VAL 49 -0.510 9.917 -24.509 363 HA VAL 49 HA VAL 49 0.313 10.751 -27.193 364 HB VAL 49 HB VAL 49 1.869 10.836 -24.555 365 HG11 VAL 49 HG11 VAL 49 3.403 10.830 -26.479 366 HG12 VAL 49 HG12 VAL 49 3.405 12.413 -25.703 367 HG13 VAL 49 HG13 VAL 49 2.524 12.174 -27.215 368 HG21 VAL 49 HG21 VAL 49 0.347 13.067 -25.958 369 HG22 VAL 49 HG22 VAL 49 1.354 13.260 -24.520 370 HG23 VAL 49 HG23 VAL 49 -0.112 12.280 -24.444 371 H ALA 50 HN ALA 50 1.355 8.499 -24.644 372 HA ALA 50 HA ALA 50 2.378 6.503 -26.433 373 HB1 ALA 50 HB1 ALA 50 4.758 6.725 -25.803 374 HB2 ALA 50 HB2 ALA 50 4.384 8.186 -24.882 375 HB3 ALA 50 HB3 ALA 50 4.183 8.171 -26.636 376 H ALA 51 HN ALA 51 3.752 4.855 -25.062 377 HA ALA 51 HA ALA 51 3.232 4.749 -22.248 378 HB1 ALA 51 HB1 ALA 51 1.848 2.720 -22.208 379 HB2 ALA 51 HB2 ALA 51 1.778 2.720 -23.972 380 HB3 ALA 51 HB3 ALA 51 1.026 4.027 -23.063 381 H ILE 52 HN ILE 52 4.485 3.423 -21.199 382 HA ILE 52 HA ILE 52 6.383 1.662 -22.589 383 HB ILE 52 HB ILE 52 6.616 2.880 -19.777 384 HG12 ILE 52 HG12 ILE 52 8.678 4.103 -20.862 385 HG13 ILE 52 HG11 ILE 52 7.892 3.764 -22.400 386 HG21 ILE 52 HG21 ILE 52 8.911 1.974 -19.767 387 HG22 ILE 52 HG22 ILE 52 8.632 1.235 -21.338 388 HG23 ILE 52 HG23 ILE 52 7.711 0.694 -19.936 389 HD11 ILE 52 HD11 ILE 52 6.708 5.368 -20.133 390 HD12 ILE 52 HD12 ILE 52 5.964 5.080 -21.709 391 HD13 ILE 52 HD13 ILE 52 7.451 6.018 -21.593 392 H ARG 53 HN ARG 53 5.543 -0.376 -22.501 393 HA ARG 53 HA ARG 53 4.397 -1.387 -19.982 394 HB2 ARG 53 HB2 ARG 53 3.194 -2.003 -22.050 395 HB3 ARG 53 HB1 ARG 53 4.660 -2.709 -22.723 396 HG2 ARG 53 HG2 ARG 53 4.643 -4.421 -20.905 397 HG3 ARG 53 HG1 ARG 53 3.135 -3.730 -20.294 398 HD2 ARG 53 HD2 ARG 53 2.032 -4.256 -22.443 399 HD3 ARG 53 HD1 ARG 53 3.546 -4.943 -23.048 400 HE ARG 53 HE ARG 53 2.724 -6.182 -20.610 401 HH11 ARG 53 HH11 ARG 53 2.091 -6.212 -24.071 402 HH12 ARG 53 HH12 ARG 53 1.443 -7.821 -24.053 403 HH21 ARG 53 HH21 ARG 53 1.877 -8.277 -20.610 404 HH22 ARG 53 HH22 ARG 53 1.315 -8.988 -22.089 405 H TRP 54 HN TRP 54 5.931 -1.932 -18.556 406 HA TRP 54 HA TRP 54 8.634 -2.579 -19.243 407 HB2 TRP 54 HB2 TRP 54 7.976 -1.397 -17.119 408 HB3 TRP 54 HB1 TRP 54 7.237 -2.889 -16.545 409 HD1 TRP 54 HD1 TRP 54 10.764 -1.903 -17.906 410 HE1 TRP 54 HE1 TRP 54 12.536 -3.038 -16.440 411 HE3 TRP 54 HE3 TRP 54 7.679 -4.361 -14.643 412 HZ2 TRP 54 HZ2 TRP 54 12.633 -4.743 -14.206 413 HZ3 TRP 54 HZ3 TRP 54 8.698 -5.722 -12.860 414 HH2 TRP 54 HH2 TRP 54 11.129 -5.907 -12.646 415 H SER 55 HN SER 55 8.340 -4.267 -20.650 416 HA SER 55 HA SER 55 8.616 -6.907 -19.828 417 HB2 SER 55 HB2 SER 55 6.160 -6.703 -19.225 418 HB3 SER 55 HB1 SER 55 5.800 -6.384 -20.921 419 HG SER 55 HG SER 55 7.152 -8.713 -20.018 420 H GLY 56 HN GLY 56 9.033 -4.555 -21.947 421 HA2 GLY 56 HA2 GLY 56 10.333 -4.932 -23.942 422 HA3 GLY 56 HA1 GLY 56 9.318 -6.312 -24.324 423 H GLY 57 HN GLY 57 6.949 -4.454 -23.414 424 HA2 GLY 57 HA2 GLY 57 6.445 -3.336 -26.098 425 HA3 GLY 57 HA1 GLY 57 5.266 -3.556 -24.811 426 H SER 58 HN SER 58 8.403 -1.886 -24.879 427 HA SER 58 HA SER 58 7.360 0.293 -23.256 428 HB2 SER 58 HB2 SER 58 9.869 0.880 -23.222 429 HB3 SER 58 HB1 SER 58 9.419 -0.674 -22.526 430 HG SER 58 HG SER 58 10.847 -0.113 -24.848 431 H THR 59 HN THR 59 6.174 0.529 -25.744 432 HA THR 59 HA THR 59 7.373 2.799 -27.086 433 HB THR 59 HB THR 59 7.317 1.526 -29.371 434 HG1 THR 59 HG1 THR 59 6.425 -0.418 -28.022 435 HG21 THR 59 HG21 THR 59 9.448 2.269 -28.392 436 HG22 THR 59 HG22 THR 59 9.625 0.715 -29.204 437 HG23 THR 59 HG23 THR 59 9.542 0.778 -27.442 438 H TYR 60 HN TYR 60 5.670 4.016 -27.462 439 HA TYR 60 HA TYR 60 3.532 3.198 -29.215 440 HB2 TYR 60 HB2 TYR 60 2.938 3.988 -26.333 441 HB3 TYR 60 HB1 TYR 60 1.795 4.398 -27.598 442 HD1 TYR 60 HD1 TYR 60 2.872 1.807 -25.324 443 HD2 TYR 60 HD2 TYR 60 0.810 2.469 -29.006 444 HE1 TYR 60 HE1 TYR 60 1.818 -0.403 -25.133 445 HE2 TYR 60 HE2 TYR 60 -0.243 0.262 -28.814 446 HH TYR 60 HH TYR 60 0.231 -1.904 -27.705 447 H TYR 61 HN TYR 61 2.470 5.116 -30.096 448 HA TYR 61 HA TYR 61 3.309 7.769 -29.439 449 HB2 TYR 61 HB2 TYR 61 4.617 8.263 -31.512 450 HB3 TYR 61 HB1 TYR 61 5.422 7.048 -30.526 451 HD1 TYR 61 HD1 TYR 61 5.302 4.596 -31.232 452 HD2 TYR 61 HD2 TYR 61 3.942 7.744 -33.789 453 HE1 TYR 61 HE1 TYR 61 5.334 3.055 -33.143 454 HE2 TYR 61 HE2 TYR 61 3.977 6.197 -35.693 455 HH TYR 61 HH TYR 61 4.168 2.876 -35.367 456 H ALA 62 HN ALA 62 1.962 9.278 -30.409 457 HA ALA 62 HA ALA 62 0.034 8.485 -32.452 458 HB1 ALA 62 HB1 ALA 62 -0.709 10.846 -32.344 459 HB2 ALA 62 HB2 ALA 62 0.643 11.235 -31.277 460 HB3 ALA 62 HB3 ALA 62 -0.627 10.138 -30.728 461 H ASP 63 HN ASP 63 0.113 9.271 -34.634 462 HA ASP 63 HA ASP 63 2.651 9.471 -35.864 463 HB2 ASP 63 HB2 ASP 63 0.565 8.692 -37.027 464 HB3 ASP 63 HB1 ASP 63 -0.045 10.342 -37.001 465 H SER 64 HN SER 64 0.373 11.902 -34.724 466 HA SER 64 HA SER 64 1.552 14.217 -35.847 467 HB2 SER 64 HB2 SER 64 -0.122 14.004 -33.312 468 HB3 SER 64 HB1 SER 64 0.147 15.467 -34.270 469 HG SER 64 HG SER 64 -0.891 14.346 -36.031 470 H VAL 65 HN VAL 65 2.603 12.232 -33.203 471 HA VAL 65 HA VAL 65 4.460 14.359 -32.252 472 HB VAL 65 HB VAL 65 4.470 13.395 -30.046 473 HG11 VAL 65 HG11 VAL 65 1.582 13.687 -30.953 474 HG12 VAL 65 HG12 VAL 65 2.659 14.997 -30.466 475 HG13 VAL 65 HG13 VAL 65 2.151 13.791 -29.283 476 HG21 VAL 65 HG21 VAL 65 2.615 11.205 -31.045 477 HG22 VAL 65 HG22 VAL 65 3.068 11.457 -29.357 478 HG23 VAL 65 HG23 VAL 65 4.295 11.010 -30.543 479 H LYS 66 HN LYS 66 4.487 11.812 -34.226 480 HA LYS 66 HA LYS 66 6.398 9.977 -33.300 481 HB2 LYS 66 HB2 LYS 66 4.956 9.513 -35.251 482 HB3 LYS 66 HB1 LYS 66 5.750 10.791 -36.167 483 HG2 LYS 66 HG2 LYS 66 7.919 9.468 -35.950 484 HG3 LYS 66 HG1 LYS 66 6.965 8.148 -35.267 485 HD2 LYS 66 HD2 LYS 66 6.604 9.352 -38.045 486 HD3 LYS 66 HD1 LYS 66 7.429 7.833 -37.688 487 HE2 LYS 66 HE2 LYS 66 5.318 6.887 -36.831 488 HE3 LYS 66 HE1 LYS 66 4.489 8.410 -37.158 489 HZ1 LYS 66 HZ1 LYS 66 4.121 6.752 -38.877 490 HZ2 LYS 66 HZ2 LYS 66 5.777 6.689 -39.198 491 HZ3 LYS 66 HZ3 LYS 66 4.916 8.110 -39.495 492 H GLY 67 HN GLY 67 8.565 10.059 -33.104 493 HA2 GLY 67 HA2 GLY 67 10.761 10.402 -33.722 494 HA3 GLY 67 HA1 GLY 67 10.254 11.573 -34.923 495 H ARG 68 HN ARG 68 8.679 13.038 -32.807 496 HA ARG 68 HA ARG 68 10.894 14.705 -31.852 497 HB2 ARG 68 HB2 ARG 68 7.886 15.185 -32.012 498 HB3 ARG 68 HB1 ARG 68 9.048 16.349 -31.376 499 HG2 ARG 68 HG2 ARG 68 10.200 16.365 -33.599 500 HG3 ARG 68 HG1 ARG 68 8.943 15.289 -34.222 501 HD2 ARG 68 HD2 ARG 68 8.462 18.066 -33.085 502 HD3 ARG 68 HD1 ARG 68 8.574 17.676 -34.806 503 HE ARG 68 HE ARG 68 6.608 16.024 -33.823 504 HH11 ARG 68 HH11 ARG 68 7.060 19.511 -33.770 505 HH12 ARG 68 HH12 ARG 68 5.381 19.848 -34.033 506 HH21 ARG 68 HH21 ARG 68 4.419 16.493 -34.140 507 HH22 ARG 68 HH22 ARG 68 3.891 18.139 -34.225 508 H PHE 69 HN PHE 69 7.943 13.148 -30.622 509 HA PHE 69 HA PHE 69 8.761 13.471 -27.833 510 HB2 PHE 69 HB2 PHE 69 6.307 12.203 -29.131 511 HB3 PHE 69 HB1 PHE 69 6.591 12.201 -27.394 512 HD1 PHE 69 HD1 PHE 69 6.977 14.965 -29.951 513 HD2 PHE 69 HD2 PHE 69 4.936 13.578 -26.456 514 HE1 PHE 69 HE1 PHE 69 5.750 17.088 -29.820 515 HE2 PHE 69 HE2 PHE 69 3.720 15.709 -26.331 516 HZ PHE 69 HZ PHE 69 4.117 17.467 -28.009 517 H THR 70 HN THR 70 9.950 11.984 -26.839 518 HA THR 70 HA THR 70 10.203 9.223 -27.888 519 HB THR 70 HB THR 70 12.429 10.982 -26.726 520 HG1 THR 70 HG1 THR 70 11.807 11.523 -28.884 521 HG21 THR 70 HG21 THR 70 12.591 8.167 -27.882 522 HG22 THR 70 HG22 THR 70 12.745 8.583 -26.172 523 HG23 THR 70 HG23 THR 70 13.955 9.140 -27.330 524 H ILE 71 HN ILE 71 9.993 7.656 -26.314 525 HA ILE 71 HA ILE 71 9.810 8.531 -23.489 526 HB ILE 71 HB ILE 71 8.062 6.909 -23.038 527 HG12 ILE 71 HG12 ILE 71 8.634 5.199 -24.838 528 HG13 ILE 71 HG11 ILE 71 6.919 5.526 -24.667 529 HG21 ILE 71 HG21 ILE 71 7.321 8.714 -25.352 530 HG22 ILE 71 HG22 ILE 71 7.390 9.155 -23.644 531 HG23 ILE 71 HG23 ILE 71 6.191 7.991 -24.203 532 HD11 ILE 71 HD11 ILE 71 8.716 6.576 -26.855 533 HD12 ILE 71 HD12 ILE 71 6.991 6.910 -26.693 534 HD13 ILE 71 HD13 ILE 71 7.547 5.264 -26.988 535 H SER 72 HN SER 72 10.568 7.180 -21.933 536 HA SER 72 HA SER 72 11.638 4.556 -22.469 537 HB2 SER 72 HB2 SER 72 13.988 5.165 -21.755 538 HB3 SER 72 HB1 SER 72 13.532 5.885 -23.297 539 HG SER 72 HG SER 72 13.037 7.814 -22.117 540 H ARG 73 HN ARG 73 12.053 3.427 -20.553 541 HA ARG 73 HA ARG 73 11.730 4.827 -17.958 542 HB2 ARG 73 HB2 ARG 73 9.679 3.588 -18.246 543 HB3 ARG 73 HB1 ARG 73 10.524 2.179 -18.867 544 HG2 ARG 73 HG2 ARG 73 11.445 1.713 -16.621 545 HG3 ARG 73 HG1 ARG 73 10.646 3.154 -15.983 546 HD2 ARG 73 HD2 ARG 73 8.462 2.203 -16.331 547 HD3 ARG 73 HD1 ARG 73 9.115 0.881 -17.299 548 HE ARG 73 HE ARG 73 10.306 0.461 -14.914 549 HH11 ARG 73 HH11 ARG 73 6.916 1.082 -15.658 550 HH12 ARG 73 HH12 ARG 73 6.323 0.014 -14.429 551 HH21 ARG 73 HH21 ARG 73 9.495 -0.968 -13.322 552 HH22 ARG 73 HH22 ARG 73 7.783 -1.148 -13.114 553 H ASP 74 HN ASP 74 13.577 4.651 -16.857 554 HA ASP 74 HA ASP 74 15.352 2.323 -17.286 555 HB2 ASP 74 HB2 ASP 74 16.265 4.735 -17.511 556 HB3 ASP 74 HB1 ASP 74 16.061 4.885 -15.779 557 H ASN 75 HN ASN 75 14.715 0.761 -15.941 558 HA ASN 75 HA ASN 75 13.277 1.287 -13.502 559 HB2 ASN 75 HB2 ASN 75 12.843 -0.619 -15.172 560 HB3 ASN 75 HB1 ASN 75 14.252 -1.424 -14.496 561 HD21 ASN 75 HD21 ASN 75 14.114 -2.285 -12.386 562 HD22 ASN 75 HD22 ASN 75 12.598 -2.502 -11.587 563 H ALA 76 HN ALA 76 16.602 1.073 -14.238 564 HA ALA 76 HA ALA 76 17.595 -0.254 -11.942 565 HB1 ALA 76 HB1 ALA 76 19.784 0.634 -12.530 566 HB2 ALA 76 HB2 ALA 76 19.036 1.765 -13.663 567 HB3 ALA 76 HB3 ALA 76 18.947 0.030 -13.962 568 H LYS 77 HN LYS 77 17.039 3.263 -12.572 569 HA LYS 77 HA LYS 77 17.114 3.609 -9.599 570 HB2 LYS 77 HB2 LYS 77 17.514 5.983 -9.857 571 HB3 LYS 77 HB1 LYS 77 18.766 5.080 -10.694 572 HG2 LYS 77 HG2 LYS 77 16.392 6.283 -12.145 573 HG3 LYS 77 HG1 LYS 77 17.859 7.204 -11.803 574 HD2 LYS 77 HD2 LYS 77 19.173 5.460 -13.054 575 HD3 LYS 77 HD1 LYS 77 17.644 4.678 -13.489 576 HE2 LYS 77 HE2 LYS 77 18.423 6.111 -15.323 577 HE3 LYS 77 HE1 LYS 77 16.934 6.768 -14.645 578 HZ1 LYS 77 HZ1 LYS 77 18.495 8.523 -15.030 579 HZ2 LYS 77 HZ2 LYS 77 19.687 7.739 -14.128 580 HZ3 LYS 77 HZ3 LYS 77 18.310 8.329 -13.359 581 H ASN 78 HN ASN 78 15.038 3.051 -11.992 582 HA ASN 78 HA ASN 78 12.825 3.142 -12.311 583 HB2 ASN 78 HB2 ASN 78 12.742 3.780 -9.333 584 HB3 ASN 78 HB1 ASN 78 11.359 3.258 -10.295 585 HD21 ASN 78 HD21 ASN 78 11.385 1.111 -11.165 586 HD22 ASN 78 HD22 ASN 78 12.347 -0.121 -10.435 587 H THR 79 HN THR 79 13.522 5.048 -13.576 588 HA THR 79 HA THR 79 11.845 7.361 -12.901 589 HB THR 79 HB THR 79 14.767 7.618 -13.799 590 HG1 THR 79 HG1 THR 79 13.587 7.529 -11.315 591 HG21 THR 79 HG21 THR 79 12.740 9.774 -13.057 592 HG22 THR 79 HG22 THR 79 13.336 9.446 -14.687 593 HG23 THR 79 HG23 THR 79 14.441 10.045 -13.449 594 H VAL 80 HN VAL 80 10.777 8.115 -14.653 595 HA VAL 80 HA VAL 80 11.155 6.760 -17.254 596 HB VAL 80 HB VAL 80 8.562 7.938 -16.132 597 HG11 VAL 80 HG11 VAL 80 7.444 6.640 -17.916 598 HG12 VAL 80 HG12 VAL 80 9.014 6.085 -18.503 599 HG13 VAL 80 HG13 VAL 80 8.595 7.797 -18.589 600 HG21 VAL 80 HG21 VAL 80 9.437 5.022 -16.107 601 HG22 VAL 80 HG22 VAL 80 7.834 5.612 -15.660 602 HG23 VAL 80 HG23 VAL 80 9.240 6.066 -14.695 603 H TYR 81 HN TYR 81 11.479 8.060 -19.014 604 HA TYR 81 HA TYR 81 11.470 10.998 -18.638 605 HB2 TYR 81 HB2 TYR 81 13.245 9.298 -20.456 606 HB3 TYR 81 HB1 TYR 81 13.336 11.050 -20.273 607 HD1 TYR 81 HD1 TYR 81 14.266 12.050 -18.192 608 HD2 TYR 81 HD2 TYR 81 14.165 7.804 -18.721 609 HE1 TYR 81 HE1 TYR 81 15.821 11.775 -16.311 610 HE2 TYR 81 HE2 TYR 81 15.725 7.534 -16.840 611 HH TYR 81 HH TYR 81 16.458 10.090 -14.689 612 H LEU 82 HN LEU 82 10.691 12.311 -20.249 613 HA LEU 82 HA LEU 82 9.733 11.140 -22.794 614 HB2 LEU 82 HB2 LEU 82 7.749 11.579 -21.427 615 HB3 LEU 82 HB1 LEU 82 8.301 13.203 -21.071 616 HG LEU 82 HG LEU 82 8.002 13.797 -23.497 617 HD11 LEU 82 HD11 LEU 82 6.710 12.343 -24.981 618 HD12 LEU 82 HD12 LEU 82 6.720 11.065 -23.762 619 HD13 LEU 82 HD13 LEU 82 8.232 11.585 -24.512 620 HD21 LEU 82 HD21 LEU 82 5.500 12.757 -22.129 621 HD22 LEU 82 HD22 LEU 82 5.552 13.940 -23.440 622 HD23 LEU 82 HD23 LEU 82 6.251 14.335 -21.872 623 H GLN 83 HN GLN 83 11.466 11.846 -23.970 624 HA GLN 83 HA GLN 83 12.368 14.622 -23.836 625 HB2 GLN 83 HB2 GLN 83 14.057 12.843 -24.075 626 HB3 GLN 83 HB1 GLN 83 13.306 12.285 -25.561 627 HG2 GLN 83 HG2 GLN 83 15.353 13.588 -25.983 628 HG3 GLN 83 HG1 GLN 83 13.935 14.344 -26.707 629 HE21 GLN 83 HE21 GLN 83 13.264 16.361 -25.958 630 HE22 GLN 83 HE22 GLN 83 14.197 17.318 -24.862 631 H MET 84 HN MET 84 10.807 15.906 -24.659 632 HA MET 84 HA MET 84 9.614 15.394 -27.296 633 HB2 MET 84 HB2 MET 84 9.131 17.716 -25.372 634 HB3 MET 84 HB1 MET 84 8.186 17.323 -26.804 635 HG2 MET 84 HG2 MET 84 7.559 15.157 -25.690 636 HG3 MET 84 HG1 MET 84 8.338 15.761 -24.225 637 HE1 MET 84 HE1 MET 84 7.462 18.987 -24.541 638 HE2 MET 84 HE2 MET 84 7.490 18.114 -23.009 639 HE3 MET 84 HE3 MET 84 6.030 18.964 -23.515 640 H ASN 85 HN ASN 85 10.061 16.693 -29.087 641 HA ASN 85 HA ASN 85 12.048 18.879 -28.844 642 HB2 ASN 85 HB2 ASN 85 12.226 16.585 -30.862 643 HB3 ASN 85 HB1 ASN 85 13.259 18.011 -30.866 644 HD21 ASN 85 HD21 ASN 85 14.842 18.232 -29.211 645 HD22 ASN 85 HD22 ASN 85 15.370 16.870 -28.287 646 H SER 86 HN SER 86 11.879 20.500 -30.421 647 HA SER 86 HA SER 86 10.894 21.909 -31.896 648 HB2 SER 86 HB2 SER 86 11.874 20.246 -33.454 649 HB3 SER 86 HB1 SER 86 10.372 19.324 -33.423 650 HG SER 86 HG SER 86 9.994 20.531 -35.115 651 H LEU 87 HN LEU 87 9.319 22.041 -30.037 652 HA LEU 87 HA LEU 87 6.733 20.786 -30.277 653 HB2 LEU 87 HB2 LEU 87 7.869 22.807 -28.313 654 HB3 LEU 87 HB1 LEU 87 6.273 22.073 -28.159 655 HG LEU 87 HG LEU 87 8.884 20.489 -28.180 656 HD11 LEU 87 HD11 LEU 87 8.562 20.157 -25.776 657 HD12 LEU 87 HD12 LEU 87 7.177 21.253 -25.794 658 HD13 LEU 87 HD13 LEU 87 8.792 21.861 -26.164 659 HD21 LEU 87 HD21 LEU 87 7.469 18.617 -27.410 660 HD22 LEU 87 HD22 LEU 87 6.990 19.188 -29.001 661 HD23 LEU 87 HD23 LEU 87 6.031 19.625 -27.582 662 H LYS 88 HN LYS 88 4.722 21.995 -30.139 663 HA LYS 88 HA LYS 88 4.704 24.572 -31.620 664 HB2 LYS 88 HB2 LYS 88 2.519 23.807 -32.635 665 HB3 LYS 88 HB1 LYS 88 3.923 22.914 -33.193 666 HG2 LYS 88 HG2 LYS 88 2.234 21.816 -30.944 667 HG3 LYS 88 HG1 LYS 88 1.688 21.656 -32.614 668 HD2 LYS 88 HD2 LYS 88 3.748 20.416 -33.186 669 HD3 LYS 88 HD1 LYS 88 4.345 20.625 -31.534 670 HE2 LYS 88 HE2 LYS 88 3.333 18.364 -31.979 671 HE3 LYS 88 HE1 LYS 88 2.581 19.240 -30.646 672 HZ1 LYS 88 HZ1 LYS 88 0.973 18.174 -32.123 673 HZ2 LYS 88 HZ2 LYS 88 1.498 19.137 -33.406 674 HZ3 LYS 88 HZ3 LYS 88 0.768 19.849 -32.060 675 HA PRO 89 HA PRO 89 2.794 26.412 -28.232 676 HB2 PRO 89 HB2 PRO 89 0.712 27.976 -29.203 677 HB3 PRO 89 HB1 PRO 89 2.427 28.372 -29.385 678 HG2 PRO 89 HG2 PRO 89 0.586 26.981 -31.335 679 HG3 PRO 89 HG1 PRO 89 1.724 28.317 -31.631 680 HD2 PRO 89 HD2 PRO 89 2.402 25.809 -32.270 681 HD3 PRO 89 HD1 PRO 89 3.608 26.899 -31.542 682 H GLU 90 HN GLU 90 0.662 24.332 -30.003 683 HA GLU 90 HA GLU 90 -1.622 24.457 -28.281 684 HB2 GLU 90 HB2 GLU 90 -2.484 22.578 -29.528 685 HB3 GLU 90 HB1 GLU 90 -1.716 23.689 -30.658 686 HG2 GLU 90 HG2 GLU 90 0.275 22.247 -30.741 687 HG3 GLU 90 HG1 GLU 90 -0.464 21.134 -29.594 688 H ASP 91 HN ASP 91 1.443 22.962 -27.944 689 HA ASP 91 HA ASP 91 0.631 20.791 -26.197 690 HB2 ASP 91 HB2 ASP 91 3.437 21.878 -26.655 691 HB3 ASP 91 HB1 ASP 91 3.016 20.307 -25.985 692 H THR 92 HN THR 92 0.287 23.889 -25.585 693 HA THR 92 HA THR 92 1.284 24.102 -22.908 694 HB THR 92 HB THR 92 -1.004 25.552 -24.318 695 HG1 THR 92 HG1 THR 92 0.947 26.050 -25.256 696 HG21 THR 92 HG21 THR 92 -1.307 25.700 -21.865 697 HG22 THR 92 HG22 THR 92 -0.816 27.260 -22.528 698 HG23 THR 92 HG23 THR 92 0.361 26.251 -21.685 699 H ALA 93 HN ALA 93 0.761 22.288 -21.749 700 HA ALA 93 HA ALA 93 -1.953 21.744 -20.947 701 HB1 ALA 93 HB1 ALA 93 -0.544 19.705 -22.729 702 HB2 ALA 93 HB2 ALA 93 -1.959 20.663 -23.174 703 HB3 ALA 93 HB3 ALA 93 -2.083 19.458 -21.892 704 H VAL 94 HN VAL 94 -2.049 19.932 -19.420 705 HA VAL 94 HA VAL 94 0.404 19.647 -17.856 706 HB VAL 94 HB VAL 94 -1.598 20.198 -16.591 707 HG11 VAL 94 HG11 VAL 94 -3.563 18.723 -16.394 708 HG12 VAL 94 HG12 VAL 94 -2.882 17.647 -17.618 709 HG13 VAL 94 HG13 VAL 94 -3.346 19.291 -18.053 710 HG21 VAL 94 HG21 VAL 94 0.055 18.767 -15.477 711 HG22 VAL 94 HG22 VAL 94 -0.790 17.324 -16.042 712 HG23 VAL 94 HG23 VAL 94 -1.574 18.413 -14.894 713 H TYR 95 HN TYR 95 1.767 18.163 -18.649 714 HA TYR 95 HA TYR 95 0.889 15.617 -19.771 715 HB2 TYR 95 HB2 TYR 95 3.619 16.897 -19.330 716 HB3 TYR 95 HB1 TYR 95 3.460 15.213 -19.802 717 HD1 TYR 95 HD1 TYR 95 2.209 18.597 -20.890 718 HD2 TYR 95 HD2 TYR 95 3.537 14.726 -22.117 719 HE1 TYR 95 HE1 TYR 95 2.078 19.295 -23.243 720 HE2 TYR 95 HE2 TYR 95 3.420 15.431 -24.465 721 HH TYR 95 HH TYR 95 3.158 18.618 -25.435 722 H LEU 96 HN LEU 96 1.055 13.663 -18.697 723 HA LEU 96 HA LEU 96 2.064 13.524 -15.986 724 HB2 LEU 96 HB2 LEU 96 -0.033 12.862 -14.938 725 HB3 LEU 96 HB1 LEU 96 -0.159 14.474 -15.602 726 HG LEU 96 HG LEU 96 -1.411 11.984 -16.863 727 HD11 LEU 96 HD11 LEU 96 -2.476 12.534 -14.724 728 HD12 LEU 96 HD12 LEU 96 -3.559 12.865 -16.071 729 HD13 LEU 96 HD13 LEU 96 -2.733 14.198 -15.257 730 HD21 LEU 96 HD21 LEU 96 -1.804 14.914 -17.588 731 HD22 LEU 96 HD22 LEU 96 -2.673 13.545 -18.293 732 HD23 LEU 96 HD23 LEU 96 -0.938 13.715 -18.553 733 H CYS 97 HN CYS 97 2.681 11.516 -15.396 734 HA CYS 97 HA CYS 97 2.433 9.335 -17.317 735 HB2 CYS 97 HB2 CYS 97 3.879 9.508 -14.640 736 HB3 CYS 97 HB1 CYS 97 3.891 8.085 -15.679 737 HG CYS 97 HG CYS 97 5.204 11.135 -16.426 738 H ALA 98 HN ALA 98 0.656 8.144 -17.238 739 HA ALA 98 HA ALA 98 -0.794 7.698 -14.718 740 HB1 ALA 98 HB1 ALA 98 -2.058 8.792 -16.550 741 HB2 ALA 98 HB2 ALA 98 -2.731 7.221 -16.121 742 HB3 ALA 98 HB3 ALA 98 -1.759 7.393 -17.585 743 H ALA 99 HN ALA 99 -0.392 5.799 -13.831 744 HA ALA 99 HA ALA 99 0.366 3.457 -15.480 745 HB1 ALA 99 HB1 ALA 99 0.962 4.031 -12.552 746 HB2 ALA 99 HB2 ALA 99 2.108 4.170 -13.883 747 HB3 ALA 99 HB3 ALA 99 1.459 2.589 -13.446 748 H GLY 100 HN GLY 100 -1.215 2.034 -15.679 749 HA2 GLY 100 HA2 GLY 100 -3.073 1.421 -13.533 750 HA3 GLY 100 HA1 GLY 100 -3.779 2.235 -14.927 751 H VAL 101 HN VAL 101 -4.492 -0.272 -14.024 752 HA VAL 101 HA VAL 101 -3.395 -2.233 -15.914 753 HB VAL 101 HB VAL 101 -5.440 -2.596 -13.666 754 HG11 VAL 101 HG11 VAL 101 -5.012 -5.024 -13.925 755 HG12 VAL 101 HG12 VAL 101 -3.947 -4.693 -15.292 756 HG13 VAL 101 HG13 VAL 101 -5.669 -4.322 -15.406 757 HG21 VAL 101 HG21 VAL 101 -3.603 -3.625 -12.357 758 HG22 VAL 101 HG22 VAL 101 -3.252 -1.938 -12.743 759 HG23 VAL 101 HG23 VAL 101 -2.461 -3.230 -13.649 760 H TRP 102 HN TRP 102 -4.378 -2.254 -17.881 761 HA TRP 102 HA TRP 102 -6.968 -1.322 -18.530 762 HB2 TRP 102 HB2 TRP 102 -5.353 -3.504 -19.942 763 HB3 TRP 102 HB1 TRP 102 -6.711 -2.618 -20.633 764 HD1 TRP 102 HD1 TRP 102 -6.221 0.198 -20.774 765 HE1 TRP 102 HE1 TRP 102 -4.092 1.361 -21.596 766 HE3 TRP 102 HE3 TRP 102 -2.920 -3.666 -20.165 767 HZ2 TRP 102 HZ2 TRP 102 -1.355 0.738 -21.933 768 HZ3 TRP 102 HZ3 TRP 102 -0.554 -3.299 -20.760 769 HH2 TRP 102 HH2 TRP 102 0.213 -1.140 -21.629 770 H ARG 103 HN ARG 103 -8.965 -2.417 -18.647 771 HA ARG 103 HA ARG 103 -9.464 -4.336 -16.632 772 HB2 ARG 103 HB2 ARG 103 -11.302 -3.641 -18.962 773 HB3 ARG 103 HB1 ARG 103 -11.776 -4.373 -17.427 774 HG2 ARG 103 HG2 ARG 103 -10.981 -2.217 -16.299 775 HG3 ARG 103 HG1 ARG 103 -10.839 -1.527 -17.923 776 HD2 ARG 103 HD2 ARG 103 -13.294 -2.196 -18.263 777 HD3 ARG 103 HD1 ARG 103 -13.348 -2.524 -16.527 778 HE ARG 103 HE ARG 103 -12.956 0.101 -17.819 779 HH11 ARG 103 HH11 ARG 103 -13.545 -1.666 -14.842 780 HH12 ARG 103 HH12 ARG 103 -14.163 -0.278 -14.008 781 HH21 ARG 103 HH21 ARG 103 -13.748 1.892 -16.718 782 HH22 ARG 103 HH22 ARG 103 -14.270 1.742 -15.068 783 H SER 104 HN SER 104 -10.516 -6.454 -16.920 784 HA SER 104 HA SER 104 -9.107 -8.234 -18.616 785 HB2 SER 104 HB2 SER 104 -10.069 -8.920 -16.432 786 HB3 SER 104 HB1 SER 104 -11.698 -8.690 -17.068 787 HG SER 104 HG SER 104 -10.213 -10.322 -18.663 788 H SER 105 HN SER 105 -12.087 -6.438 -19.007 789 HA SER 105 HA SER 105 -13.058 -7.763 -21.356 790 HB2 SER 105 HB2 SER 105 -14.464 -5.667 -21.578 791 HB3 SER 105 HB1 SER 105 -14.586 -6.453 -20.004 792 HG SER 105 HG SER 105 -14.316 -4.209 -19.786 793 H GLY 106 HN GLY 106 -10.628 -5.362 -20.723 794 HA2 GLY 106 HA2 GLY 106 -8.848 -5.075 -22.338 795 HA3 GLY 106 HA1 GLY 106 -10.044 -5.103 -23.623 796 H TRP 107 HN TRP 107 -11.506 -3.323 -21.297 797 HA TRP 107 HA TRP 107 -11.319 -0.902 -22.769 798 HB2 TRP 107 HB2 TRP 107 -12.377 -1.271 -19.929 799 HB3 TRP 107 HB1 TRP 107 -12.701 0.100 -20.982 800 HD1 TRP 107 HD1 TRP 107 -13.158 -2.547 -23.348 801 HE1 TRP 107 HE1 TRP 107 -15.578 -3.396 -23.436 802 HE3 TRP 107 HE3 TRP 107 -14.892 -0.558 -18.954 803 HZ2 TRP 107 HZ2 TRP 107 -17.916 -3.252 -21.871 804 HZ3 TRP 107 HZ3 TRP 107 -17.240 -0.959 -18.326 805 HH2 TRP 107 HH2 TRP 107 -18.724 -2.281 -19.757 806 H ASP 108 HN ASP 108 -10.136 0.961 -22.437 807 HA ASP 108 HA ASP 108 -7.671 0.785 -20.996 808 HB2 ASP 108 HB2 ASP 108 -7.830 1.991 -23.154 809 HB3 ASP 108 HB1 ASP 108 -8.942 3.155 -22.442 810 H THR 109 HN THR 109 -7.231 1.422 -18.961 811 HA THR 109 HA THR 109 -8.842 3.435 -17.574 812 HB THR 109 HB THR 109 -8.789 1.692 -15.514 813 HG1 THR 109 HG1 THR 109 -7.778 0.025 -16.695 814 HG21 THR 109 HG21 THR 109 -10.841 2.723 -16.409 815 HG22 THR 109 HG22 THR 109 -11.091 1.014 -16.044 816 HG23 THR 109 HG23 THR 109 -10.871 1.536 -17.715 817 HA PRO 110 HA PRO 110 -4.594 4.141 -15.952 818 HB2 PRO 110 HB2 PRO 110 -5.479 6.931 -15.609 819 HB3 PRO 110 HB1 PRO 110 -4.190 6.301 -16.634 820 HG2 PRO 110 HG2 PRO 110 -6.507 7.360 -17.636 821 HG3 PRO 110 HG1 PRO 110 -5.562 6.119 -18.483 822 HD2 PRO 110 HD2 PRO 110 -8.054 5.787 -16.806 823 HD3 PRO 110 HD1 PRO 110 -7.632 5.039 -18.367 824 H ASP 111 HN ASP 111 -4.300 3.699 -13.825 825 HA ASP 111 HA ASP 111 -6.585 3.848 -11.987 826 HB2 ASP 111 HB2 ASP 111 -5.385 1.678 -12.324 827 HB3 ASP 111 HB1 ASP 111 -3.905 2.408 -11.706 828 H TYR 112 HN TYR 112 -3.120 4.706 -12.048 829 HA TYR 112 HA TYR 112 -3.675 6.970 -10.213 830 HB2 TYR 112 HB2 TYR 112 -1.227 5.151 -10.263 831 HB3 TYR 112 HB1 TYR 112 -1.213 6.736 -9.492 832 HD1 TYR 112 HD1 TYR 112 -2.764 7.187 -7.538 833 HD2 TYR 112 HD2 TYR 112 -2.191 3.262 -9.122 834 HE1 TYR 112 HE1 TYR 112 -3.690 6.221 -5.478 835 HE2 TYR 112 HE2 TYR 112 -3.117 2.303 -7.069 836 HH TYR 112 HH TYR 112 -4.774 4.149 -4.749 837 H TRP 113 HN TRP 113 -2.302 8.784 -10.500 838 HA TRP 113 HA TRP 113 -1.050 9.103 -13.162 839 HB2 TRP 113 HB2 TRP 113 -2.821 11.146 -11.722 840 HB3 TRP 113 HB1 TRP 113 -1.982 11.416 -13.251 841 HD1 TRP 113 HD1 TRP 113 -3.013 10.215 -15.447 842 HE1 TRP 113 HE1 TRP 113 -5.327 9.228 -15.942 843 HE3 TRP 113 HE3 TRP 113 -4.798 9.890 -10.669 844 HZ2 TRP 113 HZ2 TRP 113 -7.608 8.412 -14.517 845 HZ3 TRP 113 HZ3 TRP 113 -7.062 8.992 -10.318 846 HH2 TRP 113 HH2 TRP 113 -8.438 8.271 -12.205 847 H GLY 114 HN GLY 114 0.654 10.714 -13.186 848 HA2 GLY 114 HA2 GLY 114 2.244 10.539 -10.750 849 HA3 GLY 114 HA1 GLY 114 2.799 11.002 -12.348 850 H GLN 115 HN GLN 115 0.212 12.317 -10.294 851 HA GLN 115 HA GLN 115 -0.236 14.300 -9.349 852 HB2 GLN 115 HB2 GLN 115 2.691 14.996 -9.825 853 HB3 GLN 115 HB1 GLN 115 1.573 15.965 -8.862 854 HG2 GLN 115 HG2 GLN 115 1.350 14.169 -7.231 855 HG3 GLN 115 HG1 GLN 115 2.335 13.091 -8.218 856 HE21 GLN 115 HE21 GLN 115 4.573 13.483 -8.372 857 HE22 GLN 115 HE22 GLN 115 5.406 14.433 -7.190 858 H GLY 116 HN GLY 116 1.746 14.674 -12.314 859 HA2 GLY 116 HA2 GLY 116 0.890 15.528 -14.329 860 HA3 GLY 116 HA1 GLY 116 -0.308 16.453 -13.430 861 H THR 117 HN THR 117 2.642 16.616 -15.025 862 HA THR 117 HA THR 117 3.537 19.035 -13.624 863 HB THR 117 HB THR 117 5.204 17.243 -14.157 864 HG1 THR 117 HG1 THR 117 5.460 19.828 -14.408 865 HG21 THR 117 HG21 THR 117 4.813 18.061 -17.057 866 HG22 THR 117 HG22 THR 117 4.385 16.496 -16.362 867 HG23 THR 117 HG23 THR 117 6.077 16.991 -16.451 868 H GLN 118 HN GLN 118 3.023 20.979 -14.330 869 HA GLN 118 HA GLN 118 1.475 21.428 -16.729 870 HB2 GLN 118 HB2 GLN 118 2.115 22.940 -14.229 871 HB3 GLN 118 HB1 GLN 118 1.879 23.952 -15.645 872 HG2 GLN 118 HG2 GLN 118 -0.158 21.863 -14.815 873 HG3 GLN 118 HG1 GLN 118 -0.158 23.502 -14.158 874 HE21 GLN 118 HE21 GLN 118 -0.589 21.610 -17.098 875 HE22 GLN 118 HE22 GLN 118 -1.423 22.830 -17.986 876 H VAL 119 HN VAL 119 2.682 21.338 -18.575 877 HA VAL 119 HA VAL 119 5.011 23.163 -18.807 878 HB VAL 119 HB VAL 119 5.784 21.967 -20.701 879 HG11 VAL 119 HG11 VAL 119 6.243 20.738 -18.647 880 HG12 VAL 119 HG12 VAL 119 5.989 19.602 -19.970 881 HG13 VAL 119 HG13 VAL 119 4.711 19.869 -18.779 882 HG21 VAL 119 HG21 VAL 119 3.134 20.486 -20.868 883 HG22 VAL 119 HG22 VAL 119 4.536 20.185 -21.898 884 HG23 VAL 119 HG23 VAL 119 3.704 21.738 -21.973 885 H THR 120 HN THR 120 5.038 24.664 -20.502 886 HA THR 120 HA THR 120 2.534 25.154 -21.985 887 HB THR 120 HB THR 120 4.128 27.240 -20.420 888 HG1 THR 120 HG1 THR 120 1.963 25.746 -19.819 889 HG21 THR 120 HG21 THR 120 2.431 28.878 -21.222 890 HG22 THR 120 HG22 THR 120 1.762 27.648 -22.290 891 HG23 THR 120 HG23 THR 120 3.405 28.236 -22.545 892 H VAL 121 HN VAL 121 3.204 24.866 -24.100 893 HA VAL 121 HA VAL 121 5.787 26.025 -24.912 894 HB VAL 121 HB VAL 121 3.740 24.583 -26.658 895 HG11 VAL 121 HG11 VAL 121 5.620 24.353 -28.258 896 HG12 VAL 121 HG12 VAL 121 6.666 25.279 -27.177 897 HG13 VAL 121 HG13 VAL 121 5.271 26.054 -27.933 898 HG21 VAL 121 HG21 VAL 121 4.572 23.079 -24.885 899 HG22 VAL 121 HG22 VAL 121 6.240 23.466 -25.315 900 HG23 VAL 121 HG23 VAL 121 5.211 22.600 -26.459 901 H SER 122 HN SER 122 5.630 28.233 -24.903 902 HA SER 122 HA SER 122 3.337 29.673 -25.885 903 HB2 SER 122 HB2 SER 122 5.033 30.579 -24.258 904 HB3 SER 122 HB1 SER 122 6.190 30.699 -25.582 905 HG SER 122 HG SER 122 4.902 32.629 -25.047 906 H SER 123 HN SER 123 3.321 31.080 -27.780 907 HA SER 123 HA SER 123 4.351 29.770 -30.168 908 HB2 SER 123 HB2 SER 123 2.882 31.477 -31.350 909 HB3 SER 123 HB1 SER 123 2.025 30.420 -30.230 910 HG SER 123 HG SER 123 2.966 32.998 -29.503 911 H LEU 124 HN LEU 124 6.573 30.274 -29.559 912 HA LEU 124 HA LEU 124 8.566 31.201 -29.952 913 HB2 LEU 124 HB2 LEU 124 6.964 33.049 -31.725 914 HB3 LEU 124 HB1 LEU 124 8.672 33.338 -31.473 915 HG LEU 124 HG LEU 124 8.433 32.188 -33.555 916 HD11 LEU 124 HD11 LEU 124 9.456 30.183 -31.521 917 HD12 LEU 124 HD12 LEU 124 10.376 31.514 -32.230 918 HD13 LEU 124 HD13 LEU 124 9.807 30.199 -33.255 919 HD21 LEU 124 HD21 LEU 124 6.877 30.006 -32.146 920 HD22 LEU 124 HD22 LEU 124 7.360 30.017 -33.845 921 HD23 LEU 124 HD23 LEU 124 6.215 31.214 -33.249 922 H GLU 125 HN GLU 125 6.158 33.076 -28.314 923 HA GLU 125 HA GLU 125 7.763 35.210 -27.407 924 HB2 GLU 125 HB2 GLU 125 5.314 33.884 -26.206 925 HB3 GLU 125 HB1 GLU 125 6.185 35.113 -25.308 926 HG2 GLU 125 HG2 GLU 125 4.306 36.132 -26.392 927 HG3 GLU 125 HG1 GLU 125 5.787 36.731 -27.133 928 H HIS 126 HN HIS 126 9.691 34.907 -26.581 929 HA HIS 126 HA HIS 126 10.523 32.608 -25.066 930 HB2 HIS 126 HB2 HIS 126 11.959 35.256 -25.563 931 HB3 HIS 126 HB1 HIS 126 12.702 33.808 -24.894 932 HD1 HIS 126 HD1 HIS 126 11.835 35.434 -28.077 933 HD2 HIS 126 HD2 HIS 126 12.932 31.643 -26.794 934 HE1 HIS 126 HE1 HIS 126 12.491 34.192 -30.157 935 HE2 HIS 126 HE2 HIS 126 13.320 31.961 -29.331 936 H HIS 127 HN HIS 127 8.919 35.512 -24.242 937 HA HIS 127 HA HIS 127 9.655 35.858 -21.536 938 HB2 HIS 127 HB2 HIS 127 8.314 37.533 -22.802 939 HB3 HIS 127 HB1 HIS 127 6.969 36.401 -22.896 940 HD1 HIS 127 HD1 HIS 127 8.620 38.846 -20.609 941 HD2 HIS 127 HD2 HIS 127 5.525 36.089 -20.464 942 HE1 HIS 127 HE1 HIS 127 7.328 39.395 -18.525 943 HE2 HIS 127 HE2 HIS 127 5.353 37.831 -18.573 944 H HIS 128 HN HIS 128 9.809 34.036 -20.376 945 HA HIS 128 HA HIS 128 8.081 31.781 -20.476 946 HB2 HIS 128 HB2 HIS 128 10.042 32.608 -18.293 947 HB3 HIS 128 HB1 HIS 128 9.348 31.004 -18.495 948 HD1 HIS 128 HD1 HIS 128 12.148 33.113 -19.570 949 HD2 HIS 128 HD2 HIS 128 10.288 29.645 -20.885 950 HE1 HIS 128 HE1 HIS 128 13.765 32.053 -21.163 951 HE2 HIS 128 HE2 HIS 128 12.701 29.855 -21.776 952 H HIS 129 HN HIS 129 6.341 31.243 -19.221 953 HA HIS 129 HA HIS 129 4.330 31.610 -18.290 954 HB2 HIS 129 HB2 HIS 129 5.782 31.574 -16.213 955 HB3 HIS 129 HB1 HIS 129 5.847 33.327 -16.272 956 HD1 HIS 129 HD1 HIS 129 3.769 30.507 -15.126 957 HD2 HIS 129 HD2 HIS 129 3.341 34.601 -15.653 958 HE1 HIS 129 HE1 HIS 129 1.704 31.134 -13.847 959 HE2 HIS 129 HE2 HIS 129 1.362 33.572 -14.354 960 H HIS 130 HN HIS 130 3.330 32.708 -19.945 961 HA HIS 130 HA HIS 130 4.159 35.050 -21.126 962 HB2 HIS 130 HB2 HIS 130 2.204 34.977 -22.501 963 HB3 HIS 130 HB1 HIS 130 2.602 33.309 -22.123 964 HD1 HIS 130 HD1 HIS 130 1.072 32.364 -19.933 965 HD2 HIS 130 HD2 HIS 130 -0.440 35.509 -22.187 966 HE1 HIS 130 HE1 HIS 130 -1.380 32.442 -19.414 967 HE2 HIS 130 HE2 HIS 130 -2.245 34.429 -20.685 968 H HIS 131 HN HIS 131 1.698 34.729 -18.607 969 HA HIS 131 HA HIS 131 1.878 37.585 -18.003 970 HB2 HIS 131 HB2 HIS 131 -0.054 37.440 -19.562 971 HB3 HIS 131 HB1 HIS 131 -0.789 36.192 -18.562 972 HD1 HIS 131 HD1 HIS 131 -1.399 37.045 -16.025 973 HD2 HIS 131 HD2 HIS 131 -0.837 39.982 -18.906 974 HE1 HIS 131 HE1 HIS 131 -2.429 39.125 -15.073 975 HE2 HIS 131 HE2 HIS 131 -1.927 40.919 -16.759 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 3.594 -0.694 0.236 2 H2 MET 1 HT2 MET 1 2.090 -0.150 -0.305 3 H3 MET 1 HT3 MET 1 3.466 0.792 -0.564 4 HA MET 1 HA MET 1 4.392 -0.814 -2.043 5 HB2 MET 1 HB2 MET 1 3.193 -2.850 -2.690 6 HB3 MET 1 HB1 MET 1 3.415 -2.831 -0.946 7 HG2 MET 1 HG2 MET 1 1.095 -2.168 -0.620 8 HG3 MET 1 HG1 MET 1 0.857 -2.062 -2.367 9 HE1 MET 1 HE1 MET 1 -1.256 -3.634 -2.293 10 HE2 MET 1 HE2 MET 1 -1.123 -3.771 -0.538 11 HE3 MET 1 HE3 MET 1 -1.280 -5.224 -1.526 12 H GLN 2 HN GLN 2 2.027 1.364 -1.758 13 HA GLN 2 HA GLN 2 0.470 1.168 -4.118 14 HB2 GLN 2 HB2 GLN 2 1.184 3.609 -2.431 15 HB3 GLN 2 HB1 GLN 2 -0.008 3.625 -3.733 16 HG2 GLN 2 HG2 GLN 2 -1.384 1.994 -2.513 17 HG3 GLN 2 HG1 GLN 2 -0.172 1.918 -1.232 18 HE21 GLN 2 HE21 GLN 2 -2.681 3.865 -2.702 19 HE22 GLN 2 HE22 GLN 2 -2.839 4.996 -1.404 20 H LEU 3 HN LEU 3 0.681 2.136 -6.115 21 HA LEU 3 HA LEU 3 3.332 2.393 -7.172 22 HB2 LEU 3 HB2 LEU 3 1.005 1.582 -8.256 23 HB3 LEU 3 HB1 LEU 3 0.851 3.269 -8.683 24 HG LEU 3 HG LEU 3 1.695 1.925 -10.552 25 HD11 LEU 3 HD11 LEU 3 3.830 3.822 -9.559 26 HD12 LEU 3 HD12 LEU 3 2.385 4.262 -10.474 27 HD13 LEU 3 HD13 LEU 3 3.622 3.251 -11.218 28 HD21 LEU 3 HD21 LEU 3 4.104 1.286 -8.829 29 HD22 LEU 3 HD22 LEU 3 3.854 0.811 -10.511 30 HD23 LEU 3 HD23 LEU 3 2.807 0.162 -9.251 31 H GLN 4 HN GLN 4 4.512 4.191 -6.711 32 HA GLN 4 HA GLN 4 3.187 6.838 -6.444 33 HB2 GLN 4 HB2 GLN 4 5.797 5.833 -5.224 34 HB3 GLN 4 HB1 GLN 4 5.109 7.438 -4.980 35 HG2 GLN 4 HG2 GLN 4 3.211 6.472 -3.777 36 HG3 GLN 4 HG1 GLN 4 3.796 4.842 -4.116 37 HE21 GLN 4 HE21 GLN 4 4.373 7.762 -2.271 38 HE22 GLN 4 HE22 GLN 4 5.448 7.062 -1.117 39 H LEU 5 HN LEU 5 3.726 8.339 -7.902 40 HA LEU 5 HA LEU 5 6.280 8.236 -9.390 41 HB2 LEU 5 HB2 LEU 5 3.513 8.738 -10.514 42 HB3 LEU 5 HB1 LEU 5 4.972 9.052 -11.414 43 HG LEU 5 HG LEU 5 4.047 6.315 -10.448 44 HD11 LEU 5 HD11 LEU 5 4.006 7.487 -13.247 45 HD12 LEU 5 HD12 LEU 5 2.601 7.210 -12.214 46 HD13 LEU 5 HD13 LEU 5 3.545 5.842 -12.793 47 HD21 LEU 5 HD21 LEU 5 6.411 7.036 -12.226 48 HD22 LEU 5 HD22 LEU 5 5.860 5.401 -11.850 49 HD23 LEU 5 HD23 LEU 5 6.499 6.427 -10.569 50 H VAL 6 HN VAL 6 7.352 10.128 -9.020 51 HA VAL 6 HA VAL 6 5.869 12.627 -8.475 52 HB VAL 6 HB VAL 6 8.831 12.037 -7.964 53 HG11 VAL 6 HG11 VAL 6 8.802 14.157 -6.649 54 HG12 VAL 6 HG12 VAL 6 7.129 14.430 -7.138 55 HG13 VAL 6 HG13 VAL 6 8.413 14.442 -8.349 56 HG21 VAL 6 HG21 VAL 6 7.420 10.680 -6.474 57 HG22 VAL 6 HG22 VAL 6 6.532 12.125 -5.982 58 HG23 VAL 6 HG23 VAL 6 8.238 11.953 -5.560 59 H GLU 7 HN GLU 7 5.465 13.483 -10.416 60 HA GLU 7 HA GLU 7 7.330 13.382 -12.645 61 HB2 GLU 7 HB2 GLU 7 4.557 14.626 -12.384 62 HB3 GLU 7 HB1 GLU 7 5.496 14.546 -13.879 63 HG2 GLU 7 HG2 GLU 7 5.429 12.109 -13.834 64 HG3 GLU 7 HG1 GLU 7 4.564 12.136 -12.292 65 H SER 8 HN SER 8 8.288 15.157 -13.602 66 HA SER 8 HA SER 8 8.088 17.846 -12.590 67 HB2 SER 8 HB2 SER 8 10.506 17.942 -11.826 68 HB3 SER 8 HB1 SER 8 9.476 16.949 -10.795 69 HG SER 8 HG SER 8 10.271 15.166 -12.272 70 H GLY 9 HN GLY 9 9.802 19.264 -13.676 71 HA2 GLY 9 HA2 GLY 9 11.228 19.713 -15.541 72 HA3 GLY 9 HA1 GLY 9 10.639 18.258 -16.340 73 H GLY 10 HN GLY 10 8.268 20.210 -14.778 74 HA2 GLY 10 HA2 GLY 10 6.939 20.878 -17.253 75 HA3 GLY 10 HA1 GLY 10 6.405 21.274 -15.628 76 H GLY 11 HN GLY 11 6.948 22.775 -18.330 77 HA2 GLY 11 HA2 GLY 11 7.311 25.340 -17.198 78 HA3 GLY 11 HA1 GLY 11 8.834 24.816 -17.915 79 H LEU 12 HN LEU 12 8.061 26.935 -19.053 80 HA LEU 12 HA LEU 12 6.371 26.330 -21.364 81 HB2 LEU 12 HB2 LEU 12 5.962 28.401 -19.966 82 HB3 LEU 12 HB1 LEU 12 7.494 29.005 -20.544 83 HG LEU 12 HG LEU 12 5.357 28.313 -22.563 84 HD11 LEU 12 HD11 LEU 12 5.474 30.942 -21.056 85 HD12 LEU 12 HD12 LEU 12 4.194 29.730 -20.950 86 HD13 LEU 12 HD13 LEU 12 4.461 30.593 -22.462 87 HD21 LEU 12 HD21 LEU 12 7.577 28.871 -23.445 88 HD22 LEU 12 HD22 LEU 12 7.566 30.406 -22.574 89 HD23 LEU 12 HD23 LEU 12 6.414 30.121 -23.880 90 H VAL 13 HN VAL 13 7.190 25.978 -23.291 91 HA VAL 13 HA VAL 13 9.780 27.109 -24.143 92 HB VAL 13 HB VAL 13 10.257 24.981 -25.440 93 HG11 VAL 13 HG11 VAL 13 11.161 23.650 -23.558 94 HG12 VAL 13 HG12 VAL 13 10.168 24.572 -22.427 95 HG13 VAL 13 HG13 VAL 13 11.461 25.376 -23.317 96 HG21 VAL 13 HG21 VAL 13 8.019 23.803 -23.752 97 HG22 VAL 13 HG22 VAL 13 9.102 22.877 -24.794 98 HG23 VAL 13 HG23 VAL 13 7.983 24.046 -25.502 99 H GLN 14 HN GLN 14 9.867 26.951 -26.632 100 HA GLN 14 HA GLN 14 7.279 27.753 -27.745 101 HB2 GLN 14 HB2 GLN 14 8.446 28.743 -29.572 102 HB3 GLN 14 HB1 GLN 14 9.375 29.152 -28.142 103 HG2 GLN 14 HG2 GLN 14 10.077 26.999 -30.157 104 HG3 GLN 14 HG1 GLN 14 10.794 28.604 -30.081 105 HE21 GLN 14 HE21 GLN 14 12.035 25.956 -29.930 106 HE22 GLN 14 HE22 GLN 14 12.923 25.933 -28.447 107 H ALA 15 HN ALA 15 6.495 26.884 -29.734 108 HA ALA 15 HA ALA 15 6.424 24.054 -29.823 109 HB1 ALA 15 HB1 ALA 15 5.369 26.067 -31.838 110 HB2 ALA 15 HB2 ALA 15 4.487 25.428 -30.450 111 HB3 ALA 15 HB3 ALA 15 4.942 24.354 -31.777 112 H GLY 16 HN GLY 16 7.695 22.655 -30.891 113 HA2 GLY 16 HA2 GLY 16 8.944 21.927 -32.820 114 HA3 GLY 16 HA1 GLY 16 9.481 23.582 -33.085 115 H GLY 17 HN GLY 17 9.888 23.887 -30.119 116 HA2 GLY 17 HA2 GLY 17 12.582 22.941 -29.856 117 HA3 GLY 17 HA1 GLY 17 11.614 23.743 -28.623 118 H SER 18 HN SER 18 13.168 21.830 -27.684 119 HA SER 18 HA SER 18 11.568 19.356 -27.422 120 HB2 SER 18 HB2 SER 18 13.694 18.322 -26.608 121 HB3 SER 18 HB1 SER 18 13.856 18.987 -28.234 122 HG SER 18 HG SER 18 15.384 20.214 -27.511 123 H LEU 19 HN LEU 19 11.526 18.364 -25.275 124 HA LEU 19 HA LEU 19 12.178 19.857 -22.895 125 HB2 LEU 19 HB2 LEU 19 9.996 20.883 -23.537 126 HB3 LEU 19 HB1 LEU 19 9.251 19.295 -23.564 127 HG LEU 19 HG LEU 19 9.647 19.092 -21.101 128 HD11 LEU 19 HD11 LEU 19 10.628 21.951 -21.272 129 HD12 LEU 19 HD12 LEU 19 11.601 20.532 -20.875 130 HD13 LEU 19 HD13 LEU 19 10.315 21.048 -19.787 131 HD21 LEU 19 HD21 LEU 19 8.076 21.564 -21.907 132 HD22 LEU 19 HD22 LEU 19 7.905 20.679 -20.389 133 HD23 LEU 19 HD23 LEU 19 7.477 19.902 -21.912 134 H ARG 20 HN ARG 20 12.947 18.294 -21.559 135 HA ARG 20 HA ARG 20 11.943 15.534 -21.822 136 HB2 ARG 20 HB2 ARG 20 14.394 15.766 -21.907 137 HB3 ARG 20 HB1 ARG 20 14.390 16.568 -20.337 138 HG2 ARG 20 HG2 ARG 20 13.527 14.501 -19.275 139 HG3 ARG 20 HG1 ARG 20 13.518 13.698 -20.849 140 HD2 ARG 20 HD2 ARG 20 15.988 14.791 -19.462 141 HD3 ARG 20 HD1 ARG 20 15.489 13.096 -19.454 142 HE ARG 20 HE ARG 20 15.614 13.692 -22.097 143 HH11 ARG 20 HH11 ARG 20 17.951 14.065 -19.506 144 HH12 ARG 20 HH12 ARG 20 19.316 13.822 -20.542 145 HH21 ARG 20 HH21 ARG 20 17.384 13.362 -23.438 146 HH22 ARG 20 HH22 ARG 20 18.991 13.407 -22.784 147 H LEU 21 HN LEU 21 10.450 14.884 -20.496 148 HA LEU 21 HA LEU 21 10.023 16.060 -17.851 149 HB2 LEU 21 HB2 LEU 21 8.405 14.126 -19.562 150 HB3 LEU 21 HB1 LEU 21 8.007 14.427 -17.884 151 HG LEU 21 HG LEU 21 6.542 15.752 -19.286 152 HD11 LEU 21 HD11 LEU 21 7.239 16.771 -17.179 153 HD12 LEU 21 HD12 LEU 21 6.924 17.989 -18.411 154 HD13 LEU 21 HD13 LEU 21 8.588 17.571 -17.994 155 HD21 LEU 21 HD21 LEU 21 7.329 17.473 -20.841 156 HD22 LEU 21 HD22 LEU 21 7.904 15.877 -21.320 157 HD23 LEU 21 HD23 LEU 21 9.007 17.010 -20.534 158 H SER 22 HN SER 22 10.156 14.831 -15.974 159 HA SER 22 HA SER 22 11.427 12.170 -16.128 160 HB2 SER 22 HB2 SER 22 12.927 12.891 -14.222 161 HB3 SER 22 HB1 SER 22 13.250 13.734 -15.739 162 HG SER 22 HG SER 22 11.909 15.464 -14.894 163 H CYS 23 HN CYS 23 10.443 10.755 -14.887 164 HA CYS 23 HA CYS 23 8.578 11.592 -12.754 165 HB2 CYS 23 HB2 CYS 23 7.389 10.846 -14.818 166 HB3 CYS 23 HB1 CYS 23 8.217 9.295 -14.732 167 HG CYS 23 HG CYS 23 5.760 8.675 -13.844 168 H VAL 24 HN VAL 24 9.528 10.998 -10.939 169 HA VAL 24 HA VAL 24 11.452 8.837 -10.697 170 HB VAL 24 HB VAL 24 10.273 10.758 -8.623 171 HG11 VAL 24 HG11 VAL 24 11.174 8.764 -7.507 172 HG12 VAL 24 HG12 VAL 24 12.194 10.166 -7.178 173 HG13 VAL 24 HG13 VAL 24 12.709 8.959 -8.358 174 HG21 VAL 24 HG21 VAL 24 11.500 11.982 -10.361 175 HG22 VAL 24 HG22 VAL 24 12.911 10.944 -10.128 176 HG23 VAL 24 HG23 VAL 24 12.390 12.028 -8.836 177 H ALA 25 HN ALA 25 10.917 6.765 -9.969 178 HA ALA 25 HA ALA 25 8.148 6.236 -9.185 179 HB1 ALA 25 HB1 ALA 25 8.754 3.860 -9.296 180 HB2 ALA 25 HB2 ALA 25 10.446 4.287 -9.573 181 HB3 ALA 25 HB3 ALA 25 9.224 4.705 -10.772 182 H SER 26 HN SER 26 7.771 6.903 -7.230 183 HA SER 26 HA SER 26 7.649 7.195 -5.060 184 HB2 SER 26 HB2 SER 26 8.340 5.414 -3.525 185 HB3 SER 26 HB1 SER 26 7.545 4.758 -4.939 186 HG SER 26 HG SER 26 9.495 4.043 -5.706 187 H GLY 27 HN GLY 27 11.003 5.981 -5.098 188 HA2 GLY 27 HA2 GLY 27 12.088 8.686 -4.818 189 HA3 GLY 27 HA1 GLY 27 12.338 7.607 -3.443 190 H ARG 28 HN ARG 28 13.151 5.372 -4.089 191 HA ARG 28 HA ARG 28 14.350 4.913 -6.628 192 HB2 ARG 28 HB2 ARG 28 16.098 6.407 -5.633 193 HB3 ARG 28 HB1 ARG 28 16.280 5.282 -4.293 194 HG2 ARG 28 HG2 ARG 28 17.236 3.602 -5.699 195 HG3 ARG 28 HG1 ARG 28 16.755 4.452 -7.170 196 HD2 ARG 28 HD2 ARG 28 19.188 4.653 -6.688 197 HD3 ARG 28 HD1 ARG 28 18.372 6.215 -6.745 198 HE ARG 28 HE ARG 28 18.329 5.985 -4.193 199 HH11 ARG 28 HH11 ARG 28 20.960 4.690 -6.129 200 HH12 ARG 28 HH12 ARG 28 22.147 4.934 -4.890 201 HH21 ARG 28 HH21 ARG 28 19.907 6.305 -2.586 202 HH22 ARG 28 HH22 ARG 28 21.554 5.849 -2.888 203 H THR 29 HN THR 29 12.564 3.478 -5.967 204 HA THR 29 HA THR 29 13.613 0.917 -4.974 205 HB THR 29 HB THR 29 10.912 2.110 -4.141 206 HG1 THR 29 HG1 THR 29 13.390 2.157 -3.001 207 HG21 THR 29 HG21 THR 29 10.651 0.124 -2.678 208 HG22 THR 29 HG22 THR 29 12.132 -0.563 -3.351 209 HG23 THR 29 HG23 THR 29 10.715 -0.346 -4.381 210 H PHE 30 HN PHE 30 12.186 -0.898 -5.766 211 HA PHE 30 HA PHE 30 11.350 -0.358 -8.537 212 HB2 PHE 30 HB2 PHE 30 11.831 -2.807 -8.908 213 HB3 PHE 30 HB1 PHE 30 13.238 -1.880 -8.413 214 HD1 PHE 30 HD1 PHE 30 14.064 -2.071 -6.001 215 HD2 PHE 30 HD2 PHE 30 11.099 -4.699 -7.608 216 HE1 PHE 30 HE1 PHE 30 14.458 -3.650 -4.161 217 HE2 PHE 30 HE2 PHE 30 11.496 -6.268 -5.764 218 HZ PHE 30 HZ PHE 30 13.170 -5.746 -4.035 219 H ARG 31 HN ARG 31 9.285 -0.451 -8.973 220 HA ARG 31 HA ARG 31 7.476 -2.456 -8.109 221 HB2 ARG 31 HB2 ARG 31 7.661 -0.422 -6.202 222 HB3 ARG 31 HB1 ARG 31 6.322 0.156 -7.174 223 HG2 ARG 31 HG2 ARG 31 6.398 -2.621 -5.938 224 HG3 ARG 31 HG1 ARG 31 5.733 -1.218 -5.112 225 HD2 ARG 31 HD2 ARG 31 3.921 -2.508 -6.079 226 HD3 ARG 31 HD1 ARG 31 4.051 -0.973 -6.929 227 HE ARG 31 HE ARG 31 4.618 -2.082 -8.852 228 HH11 ARG 31 HH11 ARG 31 4.594 -4.466 -6.258 229 HH12 ARG 31 HH12 ARG 31 4.771 -5.804 -7.345 230 HH21 ARG 31 HH21 ARG 31 4.886 -3.845 -10.241 231 HH22 ARG 31 HH22 ARG 31 4.939 -5.451 -9.590 232 H SER 32 HN SER 32 7.695 0.929 -9.207 233 HA SER 32 HA SER 32 5.587 0.743 -11.124 234 HB2 SER 32 HB2 SER 32 7.819 2.793 -11.111 235 HB3 SER 32 HB1 SER 32 6.196 2.978 -11.761 236 HG SER 32 HG SER 32 6.192 3.980 -9.798 237 H ASN 33 HN ASN 33 6.139 -1.151 -12.236 238 HA ASN 33 HA ASN 33 8.456 -1.158 -14.022 239 HB2 ASN 33 HB2 ASN 33 7.784 -3.468 -14.566 240 HB3 ASN 33 HB1 ASN 33 7.953 -3.243 -12.830 241 HD21 ASN 33 HD21 ASN 33 6.430 -5.194 -14.435 242 HD22 ASN 33 HD22 ASN 33 4.809 -5.124 -13.846 243 H ALA 34 HN ALA 34 5.091 -0.476 -14.038 244 HA ALA 34 HA ALA 34 5.036 -0.232 -16.976 245 HB1 ALA 34 HB1 ALA 34 4.176 -2.482 -16.450 246 HB2 ALA 34 HB2 ALA 34 2.896 -1.451 -17.092 247 HB3 ALA 34 HB3 ALA 34 2.975 -1.785 -15.359 248 H MET 35 HN MET 35 4.301 1.703 -17.482 249 HA MET 35 HA MET 35 2.243 3.161 -16.000 250 HB2 MET 35 HB2 MET 35 5.080 4.252 -16.365 251 HB3 MET 35 HB1 MET 35 3.713 5.204 -15.813 252 HG2 MET 35 HG2 MET 35 3.934 4.482 -13.673 253 HG3 MET 35 HG1 MET 35 4.220 2.813 -14.152 254 HE1 MET 35 HE1 MET 35 8.050 2.797 -14.936 255 HE2 MET 35 HE2 MET 35 6.725 3.013 -16.080 256 HE3 MET 35 HE3 MET 35 6.590 1.817 -14.787 257 H GLY 36 HN GLY 36 1.159 4.599 -17.390 258 HA2 GLY 36 HA2 GLY 36 2.225 4.937 -20.152 259 HA3 GLY 36 HA1 GLY 36 0.518 4.705 -19.788 260 H TRP 37 HN TRP 37 2.298 7.017 -20.939 261 HA TRP 37 HA TRP 37 1.666 9.219 -19.128 262 HB2 TRP 37 HB2 TRP 37 3.058 9.223 -21.849 263 HB3 TRP 37 HB1 TRP 37 2.789 10.660 -20.871 264 HD1 TRP 37 HD1 TRP 37 4.808 7.360 -20.795 265 HE1 TRP 37 HE1 TRP 37 6.844 7.712 -19.283 266 HE3 TRP 37 HE3 TRP 37 3.697 12.026 -18.977 267 HZ2 TRP 37 HZ2 TRP 37 7.863 9.677 -17.536 268 HZ3 TRP 37 HZ3 TRP 37 5.261 13.071 -17.379 269 HH2 TRP 37 HH2 TRP 37 7.303 11.917 -16.675 270 H PHE 38 HN PHE 38 -0.035 10.436 -19.266 271 HA PHE 38 HA PHE 38 -1.667 10.641 -21.732 272 HB2 PHE 38 HB2 PHE 38 -2.633 10.727 -18.817 273 HB3 PHE 38 HB1 PHE 38 -3.647 11.031 -20.221 274 HD1 PHE 38 HD1 PHE 38 -4.584 9.209 -21.497 275 HD2 PHE 38 HD2 PHE 38 -1.767 8.413 -18.378 276 HE1 PHE 38 HE1 PHE 38 -5.146 6.818 -21.590 277 HE2 PHE 38 HE2 PHE 38 -2.329 6.026 -18.485 278 HZ PHE 38 HZ PHE 38 -4.021 5.223 -20.089 279 H ARG 39 HN ARG 39 -2.899 12.789 -21.742 280 HA ARG 39 HA ARG 39 -1.871 14.847 -19.912 281 HB2 ARG 39 HB2 ARG 39 -1.585 16.520 -21.678 282 HB3 ARG 39 HB1 ARG 39 -0.500 15.158 -21.926 283 HG2 ARG 39 HG2 ARG 39 -1.810 14.336 -23.773 284 HG3 ARG 39 HG1 ARG 39 -3.114 15.474 -23.433 285 HD2 ARG 39 HD2 ARG 39 -1.639 17.361 -23.996 286 HD3 ARG 39 HD1 ARG 39 -0.317 16.235 -24.307 287 HE ARG 39 HE ARG 39 -1.869 15.288 -26.088 288 HH11 ARG 39 HH11 ARG 39 -1.892 18.669 -25.199 289 HH12 ARG 39 HH12 ARG 39 -2.405 19.206 -26.758 290 HH21 ARG 39 HH21 ARG 39 -2.513 15.979 -28.137 291 HH22 ARG 39 HH22 ARG 39 -2.775 17.669 -28.441 292 H GLN 40 HN GLN 40 -3.455 16.069 -19.122 293 HA GLN 40 HA GLN 40 -6.145 15.968 -20.336 294 HB2 GLN 40 HB2 GLN 40 -5.944 15.259 -17.939 295 HB3 GLN 40 HB1 GLN 40 -5.277 16.836 -17.535 296 HG2 GLN 40 HG2 GLN 40 -7.606 16.776 -16.901 297 HG3 GLN 40 HG1 GLN 40 -7.405 17.895 -18.249 298 HE21 GLN 40 HE21 GLN 40 -9.506 17.775 -18.975 299 HE22 GLN 40 HE22 GLN 40 -10.200 16.360 -19.678 300 H ALA 41 HN ALA 41 -6.951 17.813 -21.224 301 HA ALA 41 HA ALA 41 -5.344 20.302 -21.019 302 HB1 ALA 41 HB1 ALA 41 -6.941 19.258 -23.383 303 HB2 ALA 41 HB2 ALA 41 -5.186 19.273 -23.243 304 HB3 ALA 41 HB3 ALA 41 -6.074 20.795 -23.333 305 HA PRO 42 HA PRO 42 -9.099 22.383 -19.553 306 HB2 PRO 42 HB2 PRO 42 -8.689 24.903 -20.692 307 HB3 PRO 42 HB1 PRO 42 -7.957 24.352 -19.180 308 HG2 PRO 42 HG2 PRO 42 -6.780 24.395 -21.949 309 HG3 PRO 42 HG1 PRO 42 -6.023 24.843 -20.407 310 HD2 PRO 42 HD2 PRO 42 -5.512 22.465 -21.566 311 HD3 PRO 42 HD1 PRO 42 -5.640 22.608 -19.797 312 H GLY 43 HN GLY 43 -10.712 21.315 -20.633 313 HA2 GLY 43 HA2 GLY 43 -12.671 21.611 -21.919 314 HA3 GLY 43 HA1 GLY 43 -11.780 22.590 -23.069 315 H LYS 44 HN LYS 44 -9.974 19.849 -22.320 316 HA LYS 44 HA LYS 44 -11.252 18.082 -24.310 317 HB2 LYS 44 HB2 LYS 44 -8.328 18.943 -24.370 318 HB3 LYS 44 HB1 LYS 44 -8.930 17.548 -25.244 319 HG2 LYS 44 HG2 LYS 44 -10.112 20.288 -25.755 320 HG3 LYS 44 HG1 LYS 44 -8.584 19.824 -26.494 321 HD2 LYS 44 HD2 LYS 44 -10.335 19.405 -28.097 322 HD3 LYS 44 HD1 LYS 44 -9.734 17.850 -27.537 323 HE2 LYS 44 HE2 LYS 44 -11.710 17.581 -26.110 324 HE3 LYS 44 HE1 LYS 44 -12.292 19.180 -26.570 325 HZ1 LYS 44 HZ1 LYS 44 -13.377 17.369 -27.757 326 HZ2 LYS 44 HZ2 LYS 44 -11.899 16.913 -28.430 327 HZ3 LYS 44 HZ3 LYS 44 -12.570 18.419 -28.810 328 H GLU 45 HN GLU 45 -11.125 15.961 -23.803 329 HA GLU 45 HA GLU 45 -10.446 15.132 -21.166 330 HB2 GLU 45 HB2 GLU 45 -11.088 12.862 -21.950 331 HB3 GLU 45 HB1 GLU 45 -12.280 14.081 -22.394 332 HG2 GLU 45 HG2 GLU 45 -11.290 14.143 -24.698 333 HG3 GLU 45 HG1 GLU 45 -10.208 12.833 -24.227 334 H ARG 46 HN ARG 46 -9.088 13.062 -20.830 335 HA ARG 46 HA ARG 46 -6.403 13.653 -21.336 336 HB2 ARG 46 HB2 ARG 46 -5.787 11.697 -20.135 337 HB3 ARG 46 HB1 ARG 46 -7.254 12.283 -19.382 338 HG2 ARG 46 HG2 ARG 46 -7.036 9.899 -21.251 339 HG3 ARG 46 HG1 ARG 46 -7.205 9.828 -19.498 340 HD2 ARG 46 HD2 ARG 46 -9.272 10.900 -21.456 341 HD3 ARG 46 HD1 ARG 46 -9.332 9.334 -20.642 342 HE ARG 46 HE ARG 46 -9.161 11.396 -18.716 343 HH11 ARG 46 HH11 ARG 46 -11.473 10.038 -20.981 344 HH12 ARG 46 HH12 ARG 46 -12.849 10.518 -20.045 345 HH21 ARG 46 HH21 ARG 46 -10.969 12.033 -17.506 346 HH22 ARG 46 HH22 ARG 46 -12.562 11.656 -18.080 347 H GLU 47 HN GLU 47 -5.156 13.347 -23.030 348 HA GLU 47 HA GLU 47 -5.893 11.511 -25.190 349 HB2 GLU 47 HB2 GLU 47 -5.184 13.816 -25.784 350 HB3 GLU 47 HB1 GLU 47 -3.645 13.567 -24.967 351 HG2 GLU 47 HG2 GLU 47 -3.062 11.816 -26.624 352 HG3 GLU 47 HG1 GLU 47 -4.599 12.087 -27.443 353 H PHE 48 HN PHE 48 -4.992 9.530 -25.289 354 HA PHE 48 HA PHE 48 -2.928 8.647 -23.474 355 HB2 PHE 48 HB2 PHE 48 -4.824 7.182 -24.205 356 HB3 PHE 48 HB1 PHE 48 -4.214 7.224 -25.854 357 HD1 PHE 48 HD1 PHE 48 -1.985 6.858 -22.884 358 HD2 PHE 48 HD2 PHE 48 -4.003 4.812 -26.059 359 HE1 PHE 48 HE1 PHE 48 -0.700 4.823 -22.407 360 HE2 PHE 48 HE2 PHE 48 -2.701 2.788 -25.573 361 HZ PHE 48 HZ PHE 48 -1.053 2.788 -23.749 362 H VAL 49 HN VAL 49 -0.918 9.289 -23.813 363 HA VAL 49 HA VAL 49 0.004 10.116 -26.469 364 HB VAL 49 HB VAL 49 1.228 10.633 -23.719 365 HG11 VAL 49 HG11 VAL 49 2.005 11.820 -26.419 366 HG12 VAL 49 HG12 VAL 49 2.978 10.705 -25.457 367 HG13 VAL 49 HG13 VAL 49 2.652 12.333 -24.856 368 HG21 VAL 49 HG21 VAL 49 -0.942 11.768 -23.978 369 HG22 VAL 49 HG22 VAL 49 -0.409 12.482 -25.501 370 HG23 VAL 49 HG23 VAL 49 0.369 12.950 -23.989 371 H ALA 50 HN ALA 50 0.995 8.033 -23.739 372 HA ALA 50 HA ALA 50 2.794 6.495 -25.447 373 HB1 ALA 50 HB1 ALA 50 4.782 6.952 -24.069 374 HB2 ALA 50 HB2 ALA 50 3.857 8.097 -23.093 375 HB3 ALA 50 HB3 ALA 50 4.163 8.435 -24.799 376 H ALA 51 HN ALA 51 3.834 4.678 -24.259 377 HA ALA 51 HA ALA 51 2.645 3.845 -21.739 378 HB1 ALA 51 HB1 ALA 51 1.718 1.736 -22.596 379 HB2 ALA 51 HB2 ALA 51 2.162 2.190 -24.246 380 HB3 ALA 51 HB3 ALA 51 0.945 3.120 -23.371 381 H ILE 52 HN ILE 52 3.972 2.681 -20.611 382 HA ILE 52 HA ILE 52 6.183 1.111 -21.785 383 HB ILE 52 HB ILE 52 6.197 2.386 -18.985 384 HG12 ILE 52 HG12 ILE 52 8.211 3.765 -19.968 385 HG13 ILE 52 HG11 ILE 52 7.518 3.392 -21.539 386 HG21 ILE 52 HG21 ILE 52 7.446 0.283 -19.124 387 HG22 ILE 52 HG22 ILE 52 8.551 1.637 -18.892 388 HG23 ILE 52 HG23 ILE 52 8.385 0.902 -20.488 389 HD11 ILE 52 HD11 ILE 52 6.894 5.599 -20.768 390 HD12 ILE 52 HD12 ILE 52 6.165 4.915 -19.315 391 HD13 ILE 52 HD13 ILE 52 5.470 4.569 -20.901 392 H ARG 53 HN ARG 53 5.712 -1.020 -21.477 393 HA ARG 53 HA ARG 53 4.008 -1.843 -19.184 394 HB2 ARG 53 HB2 ARG 53 3.991 -2.799 -22.071 395 HB3 ARG 53 HB1 ARG 53 3.211 -3.698 -20.773 396 HG2 ARG 53 HG2 ARG 53 1.663 -1.900 -20.348 397 HG3 ARG 53 HG1 ARG 53 2.530 -0.814 -21.437 398 HD2 ARG 53 HD2 ARG 53 0.411 -1.756 -22.390 399 HD3 ARG 53 HD1 ARG 53 1.845 -2.081 -23.365 400 HE ARG 53 HE ARG 53 1.577 -4.308 -21.786 401 HH11 ARG 53 HH11 ARG 53 -0.587 -2.687 -24.016 402 HH12 ARG 53 HH12 ARG 53 -1.314 -4.162 -24.563 403 HH21 ARG 53 HH21 ARG 53 0.633 -6.224 -22.515 404 HH22 ARG 53 HH22 ARG 53 -0.618 -6.171 -23.715 405 H TRP 54 HN TRP 54 5.531 -2.565 -17.792 406 HA TRP 54 HA TRP 54 7.164 -3.743 -16.795 407 HB2 TRP 54 HB2 TRP 54 6.056 -5.768 -17.765 408 HB3 TRP 54 HB1 TRP 54 7.034 -5.605 -19.217 409 HD1 TRP 54 HD1 TRP 54 9.798 -6.014 -18.817 410 HE1 TRP 54 HE1 TRP 54 10.963 -7.657 -17.227 411 HE3 TRP 54 HE3 TRP 54 5.909 -6.957 -15.620 412 HZ2 TRP 54 HZ2 TRP 54 10.328 -9.177 -14.936 413 HZ3 TRP 54 HZ3 TRP 54 6.271 -8.530 -13.755 414 HH2 TRP 54 HH2 TRP 54 8.440 -9.618 -13.421 415 H SER 55 HN SER 55 8.144 -4.263 -20.157 416 HA SER 55 HA SER 55 9.768 -1.842 -20.183 417 HB2 SER 55 HB2 SER 55 11.392 -3.643 -19.537 418 HB3 SER 55 HB1 SER 55 10.913 -4.577 -20.955 419 HG SER 55 HG SER 55 12.572 -3.509 -21.754 420 H GLY 56 HN GLY 56 9.653 -4.655 -22.406 421 HA2 GLY 56 HA2 GLY 56 8.535 -5.087 -24.343 422 HA3 GLY 56 HA1 GLY 56 7.337 -3.904 -23.847 423 H GLY 57 HN GLY 57 10.690 -3.008 -24.228 424 HA2 GLY 57 HA2 GLY 57 11.761 -1.809 -25.927 425 HA3 GLY 57 HA1 GLY 57 10.253 -1.717 -26.827 426 H SER 58 HN SER 58 8.956 -0.850 -24.148 427 HA SER 58 HA SER 58 8.181 1.069 -23.231 428 HB2 SER 58 HB2 SER 58 10.343 1.022 -22.053 429 HB3 SER 58 HB1 SER 58 11.132 1.824 -23.411 430 HG SER 58 HG SER 58 9.990 3.680 -22.942 431 H THR 59 HN THR 59 6.965 1.373 -25.311 432 HA THR 59 HA THR 59 7.659 3.739 -26.810 433 HB THR 59 HB THR 59 7.638 2.310 -29.064 434 HG1 THR 59 HG1 THR 59 8.307 0.395 -27.106 435 HG21 THR 59 HG21 THR 59 10.093 2.209 -29.134 436 HG22 THR 59 HG22 THR 59 10.169 2.448 -27.387 437 HG23 THR 59 HG23 THR 59 9.544 3.732 -28.428 438 H TYR 60 HN TYR 60 5.826 4.637 -27.296 439 HA TYR 60 HA TYR 60 3.713 3.398 -28.691 440 HB2 TYR 60 HB2 TYR 60 3.354 2.760 -26.124 441 HB3 TYR 60 HB1 TYR 60 2.785 4.415 -25.976 442 HD1 TYR 60 HD1 TYR 60 0.785 5.145 -27.461 443 HD2 TYR 60 HD2 TYR 60 1.961 1.057 -26.992 444 HE1 TYR 60 HE1 TYR 60 -1.415 4.421 -28.294 445 HE2 TYR 60 HE2 TYR 60 -0.243 0.339 -27.826 446 HH TYR 60 HH TYR 60 -2.580 1.329 -27.928 447 H TYR 61 HN TYR 61 3.209 4.991 -30.029 448 HA TYR 61 HA TYR 61 2.598 7.664 -29.269 449 HB2 TYR 61 HB2 TYR 61 4.511 8.659 -30.815 450 HB3 TYR 61 HB1 TYR 61 4.891 8.238 -29.154 451 HD1 TYR 61 HD1 TYR 61 5.197 6.970 -32.686 452 HD2 TYR 61 HD2 TYR 61 6.628 6.661 -28.661 453 HE1 TYR 61 HE1 TYR 61 7.016 5.490 -33.435 454 HE2 TYR 61 HE2 TYR 61 8.440 5.191 -29.417 455 HH TYR 61 HH TYR 61 9.267 4.783 -32.671 456 H ALA 62 HN ALA 62 1.662 8.832 -30.975 457 HA ALA 62 HA ALA 62 0.524 7.364 -33.143 458 HB1 ALA 62 HB1 ALA 62 0.608 10.368 -32.667 459 HB2 ALA 62 HB2 ALA 62 -0.637 9.264 -32.080 460 HB3 ALA 62 HB3 ALA 62 -0.446 9.533 -33.813 461 H ASP 63 HN ASP 63 0.762 7.960 -35.449 462 HA ASP 63 HA ASP 63 3.458 7.880 -36.360 463 HB2 ASP 63 HB2 ASP 63 1.501 6.880 -37.585 464 HB3 ASP 63 HB1 ASP 63 0.936 8.503 -37.963 465 H SER 64 HN SER 64 1.185 10.449 -35.815 466 HA SER 64 HA SER 64 2.448 12.552 -37.240 467 HB2 SER 64 HB2 SER 64 0.976 14.012 -35.847 468 HB3 SER 64 HB1 SER 64 0.093 12.661 -36.559 469 HG SER 64 HG SER 64 0.886 13.052 -33.879 470 H VAL 65 HN VAL 65 2.998 11.111 -34.077 471 HA VAL 65 HA VAL 65 5.121 13.106 -33.473 472 HB VAL 65 HB VAL 65 4.833 12.556 -31.057 473 HG11 VAL 65 HG11 VAL 65 2.721 13.801 -30.688 474 HG12 VAL 65 HG12 VAL 65 2.291 13.573 -32.386 475 HG13 VAL 65 HG13 VAL 65 3.704 14.541 -31.956 476 HG21 VAL 65 HG21 VAL 65 2.389 10.967 -31.935 477 HG22 VAL 65 HG22 VAL 65 2.844 11.317 -30.264 478 HG23 VAL 65 HG23 VAL 65 3.875 10.294 -31.264 479 H LYS 66 HN LYS 66 5.087 10.449 -34.991 480 HA LYS 66 HA LYS 66 6.700 8.565 -33.597 481 HB2 LYS 66 HB2 LYS 66 5.393 7.896 -35.546 482 HB3 LYS 66 HB1 LYS 66 6.257 9.033 -36.575 483 HG2 LYS 66 HG2 LYS 66 8.329 7.718 -36.307 484 HG3 LYS 66 HG1 LYS 66 7.487 6.586 -35.245 485 HD2 LYS 66 HD2 LYS 66 6.765 7.111 -38.160 486 HD3 LYS 66 HD1 LYS 66 7.738 5.751 -37.596 487 HE2 LYS 66 HE2 LYS 66 5.830 4.898 -36.299 488 HE3 LYS 66 HE1 LYS 66 4.858 6.289 -36.782 489 HZ1 LYS 66 HZ1 LYS 66 4.391 4.297 -38.082 490 HZ2 LYS 66 HZ2 LYS 66 5.978 4.279 -38.649 491 HZ3 LYS 66 HZ3 LYS 66 4.954 5.565 -39.050 492 H GLY 67 HN GLY 67 8.805 8.703 -33.068 493 HA2 GLY 67 HA2 GLY 67 11.077 9.177 -33.270 494 HA3 GLY 67 HA1 GLY 67 10.759 10.160 -34.689 495 H ARG 68 HN ARG 68 8.567 11.475 -32.950 496 HA ARG 68 HA ARG 68 10.216 13.706 -32.059 497 HB2 ARG 68 HB2 ARG 68 7.207 13.288 -32.330 498 HB3 ARG 68 HB1 ARG 68 7.928 14.784 -31.744 499 HG2 ARG 68 HG2 ARG 68 9.006 15.172 -33.882 500 HG3 ARG 68 HG1 ARG 68 8.472 13.595 -34.478 501 HD2 ARG 68 HD2 ARG 68 7.107 15.572 -35.282 502 HD3 ARG 68 HD1 ARG 68 6.182 14.276 -34.517 503 HE ARG 68 HE ARG 68 6.910 16.305 -32.635 504 HH11 ARG 68 HH11 ARG 68 4.572 15.588 -35.159 505 HH12 ARG 68 HH12 ARG 68 3.377 16.669 -34.521 506 HH21 ARG 68 HH21 ARG 68 5.321 17.689 -31.800 507 HH22 ARG 68 HH22 ARG 68 3.802 17.860 -32.622 508 H PHE 69 HN PHE 69 7.343 12.127 -30.624 509 HA PHE 69 HA PHE 69 8.292 12.688 -27.921 510 HB2 PHE 69 HB2 PHE 69 5.693 11.565 -29.042 511 HB3 PHE 69 HB1 PHE 69 6.019 11.615 -27.312 512 HD1 PHE 69 HD1 PHE 69 6.385 14.045 -30.181 513 HD2 PHE 69 HD2 PHE 69 4.873 13.361 -26.236 514 HE1 PHE 69 HE1 PHE 69 5.515 16.338 -30.121 515 HE2 PHE 69 HE2 PHE 69 4.005 15.664 -26.187 516 HZ PHE 69 HZ PHE 69 4.328 17.149 -28.125 517 H THR 70 HN THR 70 9.418 11.264 -26.801 518 HA THR 70 HA THR 70 9.465 8.395 -27.510 519 HB THR 70 HB THR 70 11.913 10.124 -26.863 520 HG1 THR 70 HG1 THR 70 10.850 10.394 -29.021 521 HG21 THR 70 HG21 THR 70 12.190 7.767 -26.159 522 HG22 THR 70 HG22 THR 70 13.233 8.135 -27.537 523 HG23 THR 70 HG23 THR 70 11.742 7.220 -27.777 524 H ILE 71 HN ILE 71 9.561 7.053 -25.735 525 HA ILE 71 HA ILE 71 9.917 8.245 -23.051 526 HB ILE 71 HB ILE 71 8.423 6.408 -22.132 527 HG12 ILE 71 HG12 ILE 71 8.395 4.955 -24.224 528 HG13 ILE 71 HG11 ILE 71 6.827 5.220 -23.485 529 HG21 ILE 71 HG21 ILE 71 7.670 8.697 -22.226 530 HG22 ILE 71 HG22 ILE 71 6.328 7.604 -22.555 531 HG23 ILE 71 HG23 ILE 71 7.095 8.482 -23.882 532 HD11 ILE 71 HD11 ILE 71 6.285 6.849 -25.238 533 HD12 ILE 71 HD12 ILE 71 6.692 5.270 -25.898 534 HD13 ILE 71 HD13 ILE 71 7.865 6.579 -25.974 535 H SER 72 HN SER 72 10.997 7.053 -21.579 536 HA SER 72 HA SER 72 12.225 4.499 -22.302 537 HB2 SER 72 HB2 SER 72 14.505 5.430 -21.655 538 HB3 SER 72 HB1 SER 72 13.864 6.091 -23.159 539 HG SER 72 HG SER 72 12.990 7.688 -21.274 540 H ARG 73 HN ARG 73 12.328 3.235 -20.518 541 HA ARG 73 HA ARG 73 12.067 4.497 -17.846 542 HB2 ARG 73 HB2 ARG 73 10.126 3.089 -18.356 543 HB3 ARG 73 HB1 ARG 73 11.174 1.741 -18.788 544 HG2 ARG 73 HG2 ARG 73 12.029 1.751 -16.396 545 HG3 ARG 73 HG1 ARG 73 10.775 2.939 -16.024 546 HD2 ARG 73 HD2 ARG 73 9.036 1.340 -16.592 547 HD3 ARG 73 HD1 ARG 73 10.236 0.175 -17.167 548 HE ARG 73 HE ARG 73 9.789 0.978 -14.357 549 HH11 ARG 73 HH11 ARG 73 11.115 -1.347 -16.653 550 HH12 ARG 73 HH12 ARG 73 11.546 -2.481 -15.417 551 HH21 ARG 73 HH21 ARG 73 10.355 -0.518 -12.779 552 HH22 ARG 73 HH22 ARG 73 11.141 -2.000 -13.219 553 H ASP 74 HN ASP 74 13.855 4.351 -16.647 554 HA ASP 74 HA ASP 74 15.845 2.240 -17.198 555 HB2 ASP 74 HB2 ASP 74 16.522 4.728 -17.129 556 HB3 ASP 74 HB1 ASP 74 16.247 4.673 -15.403 557 H ASN 75 HN ASN 75 15.563 0.490 -15.976 558 HA ASN 75 HA ASN 75 13.914 0.454 -13.620 559 HB2 ASN 75 HB2 ASN 75 13.906 -1.387 -15.276 560 HB3 ASN 75 HB1 ASN 75 15.590 -1.747 -14.920 561 HD21 ASN 75 HD21 ASN 75 16.090 -2.759 -12.912 562 HD22 ASN 75 HD22 ASN 75 14.885 -3.570 -11.980 563 H ALA 76 HN ALA 76 17.322 0.885 -14.148 564 HA ALA 76 HA ALA 76 18.415 -0.402 -11.892 565 HB1 ALA 76 HB1 ALA 76 20.421 0.936 -12.237 566 HB2 ALA 76 HB2 ALA 76 19.531 2.049 -13.282 567 HB3 ALA 76 HB3 ALA 76 19.785 0.377 -13.787 568 H LYS 77 HN LYS 77 17.101 2.924 -12.234 569 HA LYS 77 HA LYS 77 17.019 3.023 -9.250 570 HB2 LYS 77 HB2 LYS 77 17.064 5.460 -9.303 571 HB3 LYS 77 HB1 LYS 77 18.495 4.811 -10.085 572 HG2 LYS 77 HG2 LYS 77 16.081 5.819 -11.622 573 HG3 LYS 77 HG1 LYS 77 17.425 6.859 -11.142 574 HD2 LYS 77 HD2 LYS 77 18.968 5.340 -12.429 575 HD3 LYS 77 HD1 LYS 77 17.548 4.453 -12.997 576 HE2 LYS 77 HE2 LYS 77 18.250 6.048 -14.694 577 HE3 LYS 77 HE1 LYS 77 16.695 6.552 -14.035 578 HZ1 LYS 77 HZ1 LYS 77 18.173 8.414 -14.279 579 HZ2 LYS 77 HZ2 LYS 77 19.347 7.670 -13.318 580 HZ3 LYS 77 HZ3 LYS 77 17.875 8.141 -12.638 581 H ASN 78 HN ASN 78 15.162 2.516 -11.916 582 HA ASN 78 HA ASN 78 13.008 2.633 -12.517 583 HB2 ASN 78 HB2 ASN 78 12.742 2.571 -9.510 584 HB3 ASN 78 HB1 ASN 78 11.304 2.822 -10.486 585 HD21 ASN 78 HD21 ASN 78 13.990 0.593 -9.926 586 HD22 ASN 78 HD22 ASN 78 13.165 -0.817 -10.485 587 H THR 79 HN THR 79 13.780 4.663 -13.477 588 HA THR 79 HA THR 79 11.907 6.823 -12.743 589 HB THR 79 HB THR 79 14.834 7.306 -13.511 590 HG1 THR 79 HG1 THR 79 13.578 6.975 -11.086 591 HG21 THR 79 HG21 THR 79 14.351 9.686 -12.983 592 HG22 THR 79 HG22 THR 79 12.659 9.287 -12.680 593 HG23 THR 79 HG23 THR 79 13.328 9.126 -14.308 594 H VAL 80 HN VAL 80 10.815 7.581 -14.475 595 HA VAL 80 HA VAL 80 11.454 6.523 -17.163 596 HB VAL 80 HB VAL 80 8.784 7.654 -16.199 597 HG11 VAL 80 HG11 VAL 80 9.456 5.958 -18.641 598 HG12 VAL 80 HG12 VAL 80 9.066 7.681 -18.656 599 HG13 VAL 80 HG13 VAL 80 7.841 6.504 -18.178 600 HG21 VAL 80 HG21 VAL 80 9.326 5.684 -14.842 601 HG22 VAL 80 HG22 VAL 80 9.644 4.741 -16.301 602 HG23 VAL 80 HG23 VAL 80 8.010 5.316 -15.961 603 H TYR 81 HN TYR 81 11.803 7.921 -18.813 604 HA TYR 81 HA TYR 81 11.580 10.834 -18.357 605 HB2 TYR 81 HB2 TYR 81 13.695 9.350 -19.992 606 HB3 TYR 81 HB1 TYR 81 13.600 11.093 -19.775 607 HD1 TYR 81 HD1 TYR 81 14.366 12.145 -17.687 608 HD2 TYR 81 HD2 TYR 81 14.465 7.889 -18.121 609 HE1 TYR 81 HE1 TYR 81 15.801 11.973 -15.700 610 HE2 TYR 81 HE2 TYR 81 15.898 7.717 -16.133 611 HH TYR 81 HH TYR 81 16.400 10.319 -13.984 612 H LEU 82 HN LEU 82 9.918 11.564 -19.587 613 HA LEU 82 HA LEU 82 9.407 10.480 -22.275 614 HB2 LEU 82 HB2 LEU 82 7.425 10.861 -20.955 615 HB3 LEU 82 HB1 LEU 82 7.939 12.476 -20.515 616 HG LEU 82 HG LEU 82 7.510 13.276 -22.807 617 HD11 LEU 82 HD11 LEU 82 6.441 11.922 -24.517 618 HD12 LEU 82 HD12 LEU 82 6.534 10.496 -23.483 619 HD13 LEU 82 HD13 LEU 82 8.013 11.245 -24.092 620 HD21 LEU 82 HD21 LEU 82 5.059 13.114 -22.807 621 HD22 LEU 82 HD22 LEU 82 5.689 13.399 -21.187 622 HD23 LEU 82 HD23 LEU 82 5.142 11.784 -21.646 623 H GLN 83 HN GLN 83 11.085 11.160 -23.512 624 HA GLN 83 HA GLN 83 12.012 13.914 -23.534 625 HB2 GLN 83 HB2 GLN 83 13.628 12.048 -23.817 626 HB3 GLN 83 HB1 GLN 83 12.802 11.540 -25.284 627 HG2 GLN 83 HG2 GLN 83 14.867 12.774 -25.782 628 HG3 GLN 83 HG1 GLN 83 13.448 13.613 -26.405 629 HE21 GLN 83 HE21 GLN 83 12.876 15.616 -25.531 630 HE22 GLN 83 HE22 GLN 83 13.901 16.500 -24.456 631 H MET 84 HN MET 84 10.431 15.192 -24.309 632 HA MET 84 HA MET 84 9.026 14.684 -26.807 633 HB2 MET 84 HB2 MET 84 9.173 17.205 -25.085 634 HB3 MET 84 HB1 MET 84 8.062 16.935 -26.423 635 HG2 MET 84 HG2 MET 84 6.929 15.185 -25.174 636 HG3 MET 84 HG1 MET 84 8.096 15.343 -23.852 637 HE1 MET 84 HE1 MET 84 5.934 15.636 -22.224 638 HE2 MET 84 HE2 MET 84 4.844 15.585 -23.610 639 HE3 MET 84 HE3 MET 84 4.731 16.905 -22.446 640 H ASN 85 HN ASN 85 9.880 15.177 -28.730 641 HA ASN 85 HA ASN 85 11.767 17.451 -29.024 642 HB2 ASN 85 HB2 ASN 85 11.874 14.757 -30.477 643 HB3 ASN 85 HB1 ASN 85 12.890 16.146 -30.858 644 HD21 ASN 85 HD21 ASN 85 13.385 13.329 -29.775 645 HD22 ASN 85 HD22 ASN 85 14.433 13.587 -28.429 646 H SER 86 HN SER 86 11.256 18.803 -30.753 647 HA SER 86 HA SER 86 9.878 19.942 -32.129 648 HB2 SER 86 HB2 SER 86 10.530 18.176 -33.755 649 HB3 SER 86 HB1 SER 86 9.160 17.189 -33.247 650 HG SER 86 HG SER 86 8.195 18.228 -34.809 651 H LEU 87 HN LEU 87 8.749 20.443 -30.152 652 HA LEU 87 HA LEU 87 6.268 19.177 -29.449 653 HB2 LEU 87 HB2 LEU 87 7.787 21.607 -28.518 654 HB3 LEU 87 HB1 LEU 87 6.117 21.395 -28.005 655 HG LEU 87 HG LEU 87 8.226 19.240 -27.576 656 HD11 LEU 87 HD11 LEU 87 8.416 19.985 -25.267 657 HD12 LEU 87 HD12 LEU 87 7.383 21.376 -25.607 658 HD13 LEU 87 HD13 LEU 87 8.962 21.233 -26.383 659 HD21 LEU 87 HD21 LEU 87 5.494 19.692 -26.317 660 HD22 LEU 87 HD22 LEU 87 6.615 18.384 -25.932 661 HD23 LEU 87 HD23 LEU 87 5.893 18.473 -27.533 662 H LYS 88 HN LYS 88 4.242 20.331 -29.279 663 HA LYS 88 HA LYS 88 3.657 22.200 -31.519 664 HB2 LYS 88 HB2 LYS 88 1.376 20.938 -31.593 665 HB3 LYS 88 HB1 LYS 88 2.773 20.145 -32.312 666 HG2 LYS 88 HG2 LYS 88 3.051 18.750 -30.319 667 HG3 LYS 88 HG1 LYS 88 1.695 19.560 -29.534 668 HD2 LYS 88 HD2 LYS 88 0.135 18.627 -31.131 669 HD3 LYS 88 HD1 LYS 88 1.448 17.983 -32.119 670 HE2 LYS 88 HE2 LYS 88 0.346 16.226 -30.746 671 HE3 LYS 88 HE1 LYS 88 2.059 16.398 -30.367 672 HZ1 LYS 88 HZ1 LYS 88 1.468 17.671 -28.408 673 HZ2 LYS 88 HZ2 LYS 88 0.717 16.163 -28.384 674 HZ3 LYS 88 HZ3 LYS 88 -0.180 17.532 -28.777 675 HA PRO 89 HA PRO 89 2.054 24.857 -28.385 676 HB2 PRO 89 HB2 PRO 89 -0.066 26.126 -29.613 677 HB3 PRO 89 HB1 PRO 89 1.627 26.450 -30.030 678 HG2 PRO 89 HG2 PRO 89 -0.336 24.593 -31.389 679 HG3 PRO 89 HG1 PRO 89 0.736 25.808 -32.123 680 HD2 PRO 89 HD2 PRO 89 1.422 23.213 -32.117 681 HD3 PRO 89 HD1 PRO 89 2.654 24.469 -31.846 682 H GLU 90 HN GLU 90 0.049 22.406 -29.650 683 HA GLU 90 HA GLU 90 -2.299 22.596 -28.107 684 HB2 GLU 90 HB2 GLU 90 -0.933 20.155 -29.304 685 HB3 GLU 90 HB1 GLU 90 -2.602 20.206 -28.726 686 HG2 GLU 90 HG2 GLU 90 -3.189 21.828 -30.432 687 HG3 GLU 90 HG1 GLU 90 -1.510 21.934 -30.965 688 H ASP 91 HN ASP 91 0.897 21.352 -27.382 689 HA ASP 91 HA ASP 91 0.166 19.841 -25.032 690 HB2 ASP 91 HB2 ASP 91 2.890 20.793 -26.013 691 HB3 ASP 91 HB1 ASP 91 2.648 19.722 -24.633 692 H THR 92 HN THR 92 -0.105 23.079 -25.368 693 HA THR 92 HA THR 92 0.564 23.831 -22.686 694 HB THR 92 HB THR 92 -1.548 24.936 -24.592 695 HG1 THR 92 HG1 THR 92 0.308 25.496 -25.525 696 HG21 THR 92 HG21 THR 92 -0.410 26.186 -22.066 697 HG22 THR 92 HG22 THR 92 -2.061 25.593 -22.255 698 HG23 THR 92 HG23 THR 92 -1.506 26.981 -23.198 699 H ALA 93 HN ALA 93 -0.044 22.174 -21.355 700 HA ALA 93 HA ALA 93 -2.707 21.704 -20.477 701 HB1 ALA 93 HB1 ALA 93 -2.988 19.371 -21.304 702 HB2 ALA 93 HB2 ALA 93 -1.511 19.532 -22.262 703 HB3 ALA 93 HB3 ALA 93 -2.924 20.519 -22.644 704 H VAL 94 HN VAL 94 -2.676 19.585 -19.022 705 HA VAL 94 HA VAL 94 -0.066 19.526 -17.615 706 HB VAL 94 HB VAL 94 -1.834 20.333 -16.169 707 HG11 VAL 94 HG11 VAL 94 -3.854 19.044 -15.571 708 HG12 VAL 94 HG12 VAL 94 -3.412 17.804 -16.746 709 HG13 VAL 94 HG13 VAL 94 -3.824 19.428 -17.297 710 HG21 VAL 94 HG21 VAL 94 -0.132 18.893 -15.120 711 HG22 VAL 94 HG22 VAL 94 -1.144 17.474 -15.403 712 HG23 VAL 94 HG23 VAL 94 -1.689 18.736 -14.296 713 H TYR 95 HN TYR 95 1.141 17.828 -18.067 714 HA TYR 95 HA TYR 95 0.074 15.341 -19.130 715 HB2 TYR 95 HB2 TYR 95 2.805 16.567 -18.888 716 HB3 TYR 95 HB1 TYR 95 2.761 14.813 -18.789 717 HD1 TYR 95 HD1 TYR 95 2.499 13.481 -20.759 718 HD2 TYR 95 HD2 TYR 95 1.801 17.693 -20.977 719 HE1 TYR 95 HE1 TYR 95 2.369 13.328 -23.200 720 HE2 TYR 95 HE2 TYR 95 1.680 17.540 -23.429 721 HH TYR 95 HH TYR 95 2.350 16.094 -25.238 722 H LEU 96 HN LEU 96 -0.172 13.500 -18.022 723 HA LEU 96 HA LEU 96 0.900 13.207 -15.319 724 HB2 LEU 96 HB2 LEU 96 -1.230 12.549 -14.341 725 HB3 LEU 96 HB1 LEU 96 -1.304 14.189 -14.943 726 HG LEU 96 HG LEU 96 -2.582 11.786 -16.335 727 HD11 LEU 96 HD11 LEU 96 -4.732 12.658 -15.527 728 HD12 LEU 96 HD12 LEU 96 -3.894 13.922 -14.621 729 HD13 LEU 96 HD13 LEU 96 -3.672 12.225 -14.186 730 HD21 LEU 96 HD21 LEU 96 -2.062 13.575 -17.928 731 HD22 LEU 96 HD22 LEU 96 -2.888 14.756 -16.910 732 HD23 LEU 96 HD23 LEU 96 -3.804 13.459 -17.682 733 H CYS 97 HN CYS 97 1.862 11.354 -15.177 734 HA CYS 97 HA CYS 97 1.393 9.170 -17.042 735 HB2 CYS 97 HB2 CYS 97 3.720 9.919 -16.494 736 HB3 CYS 97 HB1 CYS 97 3.461 9.448 -14.817 737 HG CYS 97 HG CYS 97 2.832 6.990 -16.980 738 H ALA 98 HN ALA 98 -0.002 7.636 -16.517 739 HA ALA 98 HA ALA 98 -0.886 7.257 -13.718 740 HB1 ALA 98 HB1 ALA 98 -2.553 8.410 -15.121 741 HB2 ALA 98 HB2 ALA 98 -3.122 6.807 -14.656 742 HB3 ALA 98 HB3 ALA 98 -2.508 7.085 -16.288 743 H ALA 99 HN ALA 99 -1.652 5.100 -13.187 744 HA ALA 99 HA ALA 99 -0.555 2.928 -14.883 745 HB1 ALA 99 HB1 ALA 99 -0.180 1.602 -12.865 746 HB2 ALA 99 HB2 ALA 99 -0.839 2.893 -11.859 747 HB3 ALA 99 HB3 ALA 99 0.667 3.146 -12.741 748 H GLY 100 HN GLY 100 -1.842 1.200 -15.339 749 HA2 GLY 100 HA2 GLY 100 -4.133 0.249 -14.203 750 HA3 GLY 100 HA1 GLY 100 -4.687 1.562 -15.236 751 H VAL 101 HN VAL 101 -5.841 0.006 -16.505 752 HA VAL 101 HA VAL 101 -4.196 -1.719 -18.260 753 HB VAL 101 HB VAL 101 -6.472 -2.610 -19.062 754 HG11 VAL 101 HG11 VAL 101 -6.755 -4.101 -17.105 755 HG12 VAL 101 HG12 VAL 101 -5.761 -3.017 -16.127 756 HG13 VAL 101 HG13 VAL 101 -5.047 -3.876 -17.493 757 HG21 VAL 101 HG21 VAL 101 -7.499 -1.127 -16.603 758 HG22 VAL 101 HG22 VAL 101 -8.424 -2.286 -17.563 759 HG23 VAL 101 HG23 VAL 101 -7.913 -0.756 -18.280 760 H TRP 102 HN TRP 102 -3.256 -0.121 -19.471 761 HA TRP 102 HA TRP 102 -4.590 2.154 -20.549 762 HB2 TRP 102 HB2 TRP 102 -1.888 1.116 -21.499 763 HB3 TRP 102 HB1 TRP 102 -2.478 2.776 -21.521 764 HD1 TRP 102 HD1 TRP 102 -2.393 4.123 -19.155 765 HE1 TRP 102 HE1 TRP 102 -1.027 3.704 -17.031 766 HE3 TRP 102 HE3 TRP 102 -0.933 -0.680 -20.071 767 HZ2 TRP 102 HZ2 TRP 102 0.469 1.614 -15.876 768 HZ3 TRP 102 HZ3 TRP 102 0.460 -1.830 -18.402 769 HH2 TRP 102 HH2 TRP 102 1.139 -0.697 -16.350 770 H ARG 103 HN ARG 103 -5.950 2.102 -22.244 771 HA ARG 103 HA ARG 103 -5.119 0.669 -24.687 772 HB2 ARG 103 HB2 ARG 103 -7.299 -0.238 -25.092 773 HB3 ARG 103 HB1 ARG 103 -6.892 -0.655 -23.431 774 HG2 ARG 103 HG2 ARG 103 -8.272 1.405 -22.746 775 HG3 ARG 103 HG1 ARG 103 -8.852 1.432 -24.411 776 HD2 ARG 103 HD2 ARG 103 -10.518 0.234 -23.291 777 HD3 ARG 103 HD1 ARG 103 -9.525 -1.058 -23.973 778 HE ARG 103 HE ARG 103 -8.440 -0.705 -21.514 779 HH11 ARG 103 HH11 ARG 103 -11.741 -1.320 -22.569 780 HH12 ARG 103 HH12 ARG 103 -12.212 -2.031 -21.062 781 HH21 ARG 103 HH21 ARG 103 -9.099 -1.614 -19.553 782 HH22 ARG 103 HH22 ARG 103 -10.716 -2.193 -19.357 783 H SER 104 HN SER 104 -6.055 1.576 -26.643 784 HA SER 104 HA SER 104 -6.298 4.476 -26.539 785 HB2 SER 104 HB2 SER 104 -6.346 2.591 -28.930 786 HB3 SER 104 HB1 SER 104 -6.114 4.340 -28.981 787 HG SER 104 HG SER 104 -4.174 4.071 -27.859 788 H SER 105 HN SER 105 -8.510 2.064 -26.098 789 HA SER 105 HA SER 105 -10.627 2.863 -27.900 790 HB2 SER 105 HB2 SER 105 -10.205 0.481 -27.241 791 HB3 SER 105 HB1 SER 105 -10.684 0.872 -25.592 792 HG SER 105 HG SER 105 -12.762 1.348 -26.363 793 H GLY 106 HN GLY 106 -9.573 4.577 -25.376 794 HA2 GLY 106 HA2 GLY 106 -10.617 6.515 -24.603 795 HA3 GLY 106 HA1 GLY 106 -12.160 5.902 -25.168 796 H TRP 107 HN TRP 107 -10.182 3.916 -23.099 797 HA TRP 107 HA TRP 107 -12.254 3.147 -21.449 798 HB2 TRP 107 HB2 TRP 107 -10.589 2.042 -20.043 799 HB3 TRP 107 HB1 TRP 107 -10.149 1.865 -21.731 800 HD1 TRP 107 HD1 TRP 107 -8.310 4.158 -22.438 801 HE1 TRP 107 HE1 TRP 107 -6.107 4.641 -21.211 802 HE3 TRP 107 HE3 TRP 107 -9.282 1.760 -18.023 803 HZ2 TRP 107 HZ2 TRP 107 -4.923 4.094 -18.718 804 HZ3 TRP 107 HZ3 TRP 107 -7.552 1.793 -16.264 805 HH2 TRP 107 HH2 TRP 107 -5.418 2.938 -16.606 806 H ASP 108 HN ASP 108 -12.510 3.307 -19.126 807 HA ASP 108 HA ASP 108 -12.921 5.997 -18.322 808 HB2 ASP 108 HB2 ASP 108 -14.480 4.177 -17.695 809 HB3 ASP 108 HB1 ASP 108 -13.221 3.410 -16.736 810 H THR 109 HN THR 109 -12.248 6.848 -16.206 811 HA THR 109 HA THR 109 -9.691 7.592 -16.020 812 HB THR 109 HB THR 109 -10.166 8.188 -13.603 813 HG1 THR 109 HG1 THR 109 -12.199 6.333 -14.054 814 HG21 THR 109 HG21 THR 109 -12.419 8.799 -15.563 815 HG22 THR 109 HG22 THR 109 -10.900 9.689 -15.436 816 HG23 THR 109 HG23 THR 109 -12.047 9.714 -14.097 817 HA PRO 110 HA PRO 110 -7.167 4.025 -14.851 818 HB2 PRO 110 HB2 PRO 110 -5.242 6.164 -13.946 819 HB3 PRO 110 HB1 PRO 110 -4.979 4.803 -15.048 820 HG2 PRO 110 HG2 PRO 110 -5.228 7.275 -16.011 821 HG3 PRO 110 HG1 PRO 110 -5.982 5.908 -16.853 822 HD2 PRO 110 HD2 PRO 110 -7.265 7.959 -15.065 823 HD3 PRO 110 HD1 PRO 110 -7.849 7.275 -16.598 824 H ASP 111 HN ASP 111 -6.000 3.140 -12.961 825 HA ASP 111 HA ASP 111 -7.504 3.551 -10.528 826 HB2 ASP 111 HB2 ASP 111 -6.777 1.279 -11.280 827 HB3 ASP 111 HB1 ASP 111 -5.093 1.737 -11.034 828 H TYR 112 HN TYR 112 -4.110 3.946 -11.500 829 HA TYR 112 HA TYR 112 -3.625 5.741 -9.194 830 HB2 TYR 112 HB2 TYR 112 -1.720 4.006 -10.802 831 HB3 TYR 112 HB1 TYR 112 -1.148 5.293 -9.751 832 HD1 TYR 112 HD1 TYR 112 -1.811 5.181 -7.251 833 HD2 TYR 112 HD2 TYR 112 -2.103 1.828 -9.891 834 HE1 TYR 112 HE1 TYR 112 -1.747 3.660 -5.325 835 HE2 TYR 112 HE2 TYR 112 -2.055 0.306 -7.958 836 HH TYR 112 HH TYR 112 -2.421 1.373 -4.751 837 H TRP 113 HN TRP 113 -2.817 7.734 -9.542 838 HA TRP 113 HA TRP 113 -1.930 8.557 -12.252 839 HB2 TRP 113 HB2 TRP 113 -3.439 10.217 -10.170 840 HB3 TRP 113 HB1 TRP 113 -2.684 10.892 -11.612 841 HD1 TRP 113 HD1 TRP 113 -3.771 10.136 -14.020 842 HE1 TRP 113 HE1 TRP 113 -6.189 9.524 -14.609 843 HE3 TRP 113 HE3 TRP 113 -5.533 9.086 -9.322 844 HZ2 TRP 113 HZ2 TRP 113 -8.508 8.679 -13.307 845 HZ3 TRP 113 HZ3 TRP 113 -7.887 8.380 -9.082 846 HH2 TRP 113 HH2 TRP 113 -9.349 8.186 -11.039 847 H GLY 114 HN GLY 114 -0.059 9.853 -12.274 848 HA2 GLY 114 HA2 GLY 114 1.825 9.217 -10.259 849 HA3 GLY 114 HA1 GLY 114 2.086 10.252 -11.650 850 H GLN 115 HN GLN 115 1.518 12.472 -11.483 851 HA GLN 115 HA GLN 115 1.092 13.655 -8.855 852 HB2 GLN 115 HB2 GLN 115 3.579 13.147 -9.156 853 HB3 GLN 115 HB1 GLN 115 3.593 14.278 -10.496 854 HG2 GLN 115 HG2 GLN 115 2.742 15.146 -7.729 855 HG3 GLN 115 HG1 GLN 115 4.441 15.026 -8.163 856 HE21 GLN 115 HE21 GLN 115 5.305 16.471 -9.650 857 HE22 GLN 115 HE22 GLN 115 4.517 17.948 -10.070 858 H GLY 116 HN GLY 116 1.881 14.136 -12.279 859 HA2 GLY 116 HA2 GLY 116 0.584 15.248 -13.875 860 HA3 GLY 116 HA1 GLY 116 -0.324 16.036 -12.591 861 H THR 117 HN THR 117 2.438 16.205 -14.656 862 HA THR 117 HA THR 117 3.430 18.677 -13.421 863 HB THR 117 HB THR 117 5.153 17.032 -13.832 864 HG1 THR 117 HG1 THR 117 5.688 18.774 -15.953 865 HG21 THR 117 HG21 THR 117 5.755 16.222 -16.086 866 HG22 THR 117 HG22 THR 117 4.353 17.058 -16.760 867 HG23 THR 117 HG23 THR 117 4.121 15.713 -15.640 868 H GLN 118 HN GLN 118 2.869 20.585 -14.201 869 HA GLN 118 HA GLN 118 1.170 20.868 -16.527 870 HB2 GLN 118 HB2 GLN 118 1.139 22.151 -14.173 871 HB3 GLN 118 HB1 GLN 118 2.266 23.230 -14.971 872 HG2 GLN 118 HG2 GLN 118 -0.582 22.639 -15.830 873 HG3 GLN 118 HG1 GLN 118 -0.008 24.109 -15.050 874 HE21 GLN 118 HE21 GLN 118 -0.257 22.362 -18.031 875 HE22 GLN 118 HE22 GLN 118 0.295 23.626 -19.070 876 H VAL 119 HN VAL 119 2.008 21.099 -18.528 877 HA VAL 119 HA VAL 119 4.554 22.581 -18.912 878 HB VAL 119 HB VAL 119 4.947 21.238 -20.968 879 HG11 VAL 119 HG11 VAL 119 5.597 19.110 -19.884 880 HG12 VAL 119 HG12 VAL 119 4.580 19.503 -18.494 881 HG13 VAL 119 HG13 VAL 119 5.991 20.497 -18.863 882 HG21 VAL 119 HG21 VAL 119 3.622 19.193 -21.452 883 HG22 VAL 119 HG22 VAL 119 2.620 20.641 -21.545 884 HG23 VAL 119 HG23 VAL 119 2.520 19.595 -20.129 885 H THR 120 HN THR 120 4.574 24.157 -20.495 886 HA THR 120 HA THR 120 2.036 24.759 -21.919 887 HB THR 120 HB THR 120 3.853 26.824 -20.577 888 HG1 THR 120 HG1 THR 120 2.397 25.380 -19.230 889 HG21 THR 120 HG21 THR 120 1.150 27.169 -21.934 890 HG22 THR 120 HG22 THR 120 2.700 27.734 -22.562 891 HG23 THR 120 HG23 THR 120 2.042 28.435 -21.084 892 H VAL 121 HN VAL 121 2.686 24.219 -23.986 893 HA VAL 121 HA VAL 121 5.275 25.221 -24.968 894 HB VAL 121 HB VAL 121 3.237 23.465 -26.399 895 HG11 VAL 121 HG11 VAL 121 4.658 24.730 -27.976 896 HG12 VAL 121 HG12 VAL 121 5.080 23.016 -27.999 897 HG13 VAL 121 HG13 VAL 121 6.109 24.165 -27.139 898 HG21 VAL 121 HG21 VAL 121 5.821 22.693 -24.983 899 HG22 VAL 121 HG22 VAL 121 4.797 21.600 -25.920 900 HG23 VAL 121 HG23 VAL 121 4.184 22.322 -24.429 901 H SER 122 HN SER 122 5.008 27.395 -25.119 902 HA SER 122 HA SER 122 2.819 28.733 -26.354 903 HB2 SER 122 HB2 SER 122 4.442 29.850 -24.849 904 HB3 SER 122 HB1 SER 122 5.724 29.607 -26.033 905 HG SER 122 HG SER 122 5.111 31.416 -26.860 906 H SER 123 HN SER 123 2.642 29.639 -28.461 907 HA SER 123 HA SER 123 3.622 28.110 -30.670 908 HB2 SER 123 HB2 SER 123 2.173 30.800 -30.660 909 HB3 SER 123 HB1 SER 123 2.323 29.703 -32.035 910 HG SER 123 HG SER 123 1.302 28.444 -29.855 911 H LEU 124 HN LEU 124 4.736 29.125 -32.590 912 HA LEU 124 HA LEU 124 7.165 30.480 -31.902 913 HB2 LEU 124 HB2 LEU 124 5.912 30.023 -34.649 914 HB3 LEU 124 HB1 LEU 124 7.516 30.678 -34.398 915 HG LEU 124 HG LEU 124 7.846 28.430 -35.014 916 HD11 LEU 124 HD11 LEU 124 9.249 29.132 -33.160 917 HD12 LEU 124 HD12 LEU 124 8.923 27.404 -33.097 918 HD13 LEU 124 HD13 LEU 124 8.075 28.497 -32.002 919 HD21 LEU 124 HD21 LEU 124 5.564 27.602 -34.735 920 HD22 LEU 124 HD22 LEU 124 5.775 27.552 -32.982 921 HD23 LEU 124 HD23 LEU 124 6.736 26.494 -34.021 922 H GLU 125 HN GLU 125 4.142 31.448 -33.425 923 HA GLU 125 HA GLU 125 4.856 34.157 -33.976 924 HB2 GLU 125 HB2 GLU 125 3.166 32.952 -35.302 925 HB3 GLU 125 HB1 GLU 125 2.146 32.758 -33.879 926 HG2 GLU 125 HG2 GLU 125 1.881 35.243 -33.784 927 HG3 GLU 125 HG1 GLU 125 2.832 35.368 -35.267 928 H HIS 126 HN HIS 126 1.915 33.504 -32.073 929 HA HIS 126 HA HIS 126 2.624 34.393 -29.537 930 HB2 HIS 126 HB2 HIS 126 3.265 36.527 -30.734 931 HB3 HIS 126 HB1 HIS 126 1.601 36.704 -31.271 932 HD1 HIS 126 HD1 HIS 126 1.146 38.866 -30.035 933 HD2 HIS 126 HD2 HIS 126 2.560 35.864 -27.526 934 HE1 HIS 126 HE1 HIS 126 0.921 39.776 -27.703 935 HE2 HIS 126 HE2 HIS 126 1.872 37.979 -26.210 936 H HIS 127 HN HIS 127 1.011 33.302 -28.591 937 HA HIS 127 HA HIS 127 -1.809 33.800 -29.151 938 HB2 HIS 127 HB2 HIS 127 -0.525 31.047 -29.501 939 HB3 HIS 127 HB1 HIS 127 -2.249 31.243 -29.216 940 HD1 HIS 127 HD1 HIS 127 -3.634 32.382 -31.139 941 HD2 HIS 127 HD2 HIS 127 0.306 31.493 -32.125 942 HE1 HIS 127 HE1 HIS 127 -3.513 32.552 -33.641 943 HE2 HIS 127 HE2 HIS 127 -1.089 32.161 -34.200 944 H HIS 128 HN HIS 128 -3.172 33.187 -27.426 945 HA HIS 128 HA HIS 128 -2.277 31.558 -25.234 946 HB2 HIS 128 HB2 HIS 128 -2.523 33.168 -23.425 947 HB3 HIS 128 HB1 HIS 128 -1.331 33.792 -24.555 948 HD1 HIS 128 HD1 HIS 128 -2.462 35.599 -26.343 949 HD2 HIS 128 HD2 HIS 128 -4.380 35.023 -22.715 950 HE1 HIS 128 HE1 HIS 128 -3.960 37.594 -26.059 951 HE2 HIS 128 HE2 HIS 128 -5.250 37.117 -23.955 952 H HIS 129 HN HIS 129 -4.024 30.636 -24.195 953 HA HIS 129 HA HIS 129 -6.093 29.768 -23.980 954 HB2 HIS 129 HB2 HIS 129 -6.939 32.658 -24.436 955 HB3 HIS 129 HB1 HIS 129 -8.092 31.385 -24.061 956 HD1 HIS 129 HD1 HIS 129 -8.062 30.418 -21.658 957 HD2 HIS 129 HD2 HIS 129 -5.421 33.565 -22.267 958 HE1 HIS 129 HE1 HIS 129 -7.326 31.128 -19.365 959 HE2 HIS 129 HE2 HIS 129 -5.573 32.893 -19.780 960 H HIS 130 HN HIS 130 -8.429 29.783 -25.164 961 HA HIS 130 HA HIS 130 -8.010 29.603 -28.093 962 HB2 HIS 130 HB2 HIS 130 -9.583 27.715 -26.272 963 HB3 HIS 130 HB1 HIS 130 -9.692 27.693 -28.029 964 HD1 HIS 130 HD1 HIS 130 -8.061 26.217 -29.204 965 HD2 HIS 130 HD2 HIS 130 -6.839 27.086 -25.328 966 HE1 HIS 130 HE1 HIS 130 -5.998 24.839 -28.823 967 HE2 HIS 130 HE2 HIS 130 -5.398 25.230 -26.409 968 H HIS 131 HN HIS 131 -9.176 31.074 -29.065 969 HA HIS 131 HA HIS 131 -11.050 32.775 -27.824 970 HB2 HIS 131 HB2 HIS 131 -11.358 33.794 -30.063 971 HB3 HIS 131 HB1 HIS 131 -9.655 33.538 -29.711 972 HD1 HIS 131 HD1 HIS 131 -12.289 32.720 -32.158 973 HD2 HIS 131 HD2 HIS 131 -8.471 31.362 -31.227 974 HE1 HIS 131 HE1 HIS 131 -11.587 31.306 -34.114 975 HE2 HIS 131 HE2 HIS 131 -9.340 30.375 -33.456 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 4.412 4.898 -1.926 2 H2 MET 1 HT2 MET 1 5.313 3.668 -2.654 3 H3 MET 1 HT3 MET 1 5.366 3.869 -0.979 4 HA MET 1 HA MET 1 4.002 1.983 -1.589 5 HB2 MET 1 HB2 MET 1 2.411 4.347 -0.495 6 HB3 MET 1 HB1 MET 1 1.946 2.657 -0.337 7 HG2 MET 1 HG2 MET 1 3.955 2.232 1.022 8 HG3 MET 1 HG1 MET 1 4.415 3.929 0.877 9 HE1 MET 1 HE1 MET 1 1.516 5.370 1.124 10 HE2 MET 1 HE2 MET 1 2.956 5.952 1.965 11 HE3 MET 1 HE3 MET 1 1.459 5.680 2.858 12 H GLN 2 HN GLN 2 2.629 1.069 -3.069 13 HA GLN 2 HA GLN 2 1.323 0.760 -4.898 14 HB2 GLN 2 HB2 GLN 2 0.042 3.388 -4.026 15 HB3 GLN 2 HB1 GLN 2 -0.682 2.216 -5.123 16 HG2 GLN 2 HG2 GLN 2 -0.078 1.805 -2.179 17 HG3 GLN 2 HG1 GLN 2 -1.667 2.050 -2.898 18 HE21 GLN 2 HE21 GLN 2 -1.172 0.250 -5.161 19 HE22 GLN 2 HE22 GLN 2 -1.213 -1.349 -4.526 20 H LEU 3 HN LEU 3 0.160 2.694 -6.759 21 HA LEU 3 HA LEU 3 2.543 3.619 -8.159 22 HB2 LEU 3 HB2 LEU 3 -0.394 3.525 -8.944 23 HB3 LEU 3 HB1 LEU 3 0.797 4.363 -9.921 24 HG LEU 3 HG LEU 3 0.619 2.295 -10.980 25 HD11 LEU 3 HD11 LEU 3 2.966 1.965 -9.093 26 HD12 LEU 3 HD12 LEU 3 2.938 2.959 -10.551 27 HD13 LEU 3 HD13 LEU 3 2.766 1.208 -10.679 28 HD21 LEU 3 HD21 LEU 3 0.688 0.865 -8.304 29 HD22 LEU 3 HD22 LEU 3 0.577 0.104 -9.897 30 HD23 LEU 3 HD23 LEU 3 -0.738 1.123 -9.315 31 H GLN 4 HN GLN 4 3.394 5.466 -7.472 32 HA GLN 4 HA GLN 4 1.622 7.809 -7.195 33 HB2 GLN 4 HB2 GLN 4 4.309 7.346 -5.833 34 HB3 GLN 4 HB1 GLN 4 3.360 8.827 -5.719 35 HG2 GLN 4 HG2 GLN 4 1.549 7.554 -4.595 36 HG3 GLN 4 HG1 GLN 4 2.530 6.093 -4.694 37 HE21 GLN 4 HE21 GLN 4 2.200 9.224 -3.167 38 HE22 GLN 4 HE22 GLN 4 3.270 8.920 -1.846 39 H LEU 5 HN LEU 5 1.724 8.887 -9.049 40 HA LEU 5 HA LEU 5 4.210 8.956 -10.622 41 HB2 LEU 5 HB2 LEU 5 1.359 9.768 -11.328 42 HB3 LEU 5 HB1 LEU 5 2.728 9.972 -12.401 43 HG LEU 5 HG LEU 5 1.487 8.058 -13.131 44 HD11 LEU 5 HD11 LEU 5 3.890 7.844 -13.341 45 HD12 LEU 5 HD12 LEU 5 3.125 6.279 -13.092 46 HD13 LEU 5 HD13 LEU 5 3.985 7.058 -11.760 47 HD21 LEU 5 HD21 LEU 5 1.725 6.873 -10.357 48 HD22 LEU 5 HD22 LEU 5 1.021 6.088 -11.774 49 HD23 LEU 5 HD23 LEU 5 0.261 7.525 -11.099 50 H VAL 6 HN VAL 6 5.543 10.569 -10.013 51 HA VAL 6 HA VAL 6 4.432 13.267 -9.417 52 HB VAL 6 HB VAL 6 7.033 12.060 -8.357 53 HG11 VAL 6 HG11 VAL 6 7.147 14.067 -6.902 54 HG12 VAL 6 HG12 VAL 6 5.707 14.718 -7.688 55 HG13 VAL 6 HG13 VAL 6 7.195 14.503 -8.613 56 HG21 VAL 6 HG21 VAL 6 4.413 12.529 -6.877 57 HG22 VAL 6 HG22 VAL 6 5.927 12.005 -6.135 58 HG23 VAL 6 HG23 VAL 6 5.107 10.958 -7.296 59 H GLU 7 HN GLU 7 4.662 14.378 -11.280 60 HA GLU 7 HA GLU 7 6.779 13.882 -13.175 61 HB2 GLU 7 HB2 GLU 7 4.638 16.051 -13.131 62 HB3 GLU 7 HB1 GLU 7 5.789 15.831 -14.439 63 HG2 GLU 7 HG2 GLU 7 3.676 14.880 -15.075 64 HG3 GLU 7 HG1 GLU 7 4.861 13.585 -14.875 65 H SER 8 HN SER 8 8.291 15.384 -13.922 66 HA SER 8 HA SER 8 8.858 17.872 -12.567 67 HB2 SER 8 HB2 SER 8 11.275 17.170 -12.100 68 HB3 SER 8 HB1 SER 8 10.073 16.408 -11.059 69 HG SER 8 HG SER 8 10.209 14.551 -12.345 70 H GLY 9 HN GLY 9 10.444 19.135 -13.779 71 HA2 GLY 9 HA2 GLY 9 11.727 19.609 -15.729 72 HA3 GLY 9 HA1 GLY 9 10.983 18.241 -16.548 73 H GLY 10 HN GLY 10 8.496 19.703 -14.976 74 HA2 GLY 10 HA2 GLY 10 7.308 20.842 -17.304 75 HA3 GLY 10 HA1 GLY 10 6.688 20.932 -15.668 76 H GLY 11 HN GLY 11 8.217 22.618 -18.168 77 HA2 GLY 11 HA2 GLY 11 8.107 25.139 -16.719 78 HA3 GLY 11 HA1 GLY 11 9.718 24.642 -17.244 79 H LEU 12 HN LEU 12 9.176 26.853 -18.347 80 HA LEU 12 HA LEU 12 7.757 26.536 -20.866 81 HB2 LEU 12 HB2 LEU 12 7.584 28.625 -19.470 82 HB3 LEU 12 HB1 LEU 12 9.270 28.936 -19.806 83 HG LEU 12 HG LEU 12 7.376 28.702 -22.136 84 HD11 LEU 12 HD11 LEU 12 7.675 31.232 -20.495 85 HD12 LEU 12 HD12 LEU 12 6.219 30.240 -20.627 86 HD13 LEU 12 HD13 LEU 12 6.838 31.082 -22.046 87 HD21 LEU 12 HD21 LEU 12 9.876 30.357 -21.674 88 HD22 LEU 12 HD22 LEU 12 8.902 30.371 -23.141 89 HD23 LEU 12 HD23 LEU 12 9.739 28.901 -22.662 90 H VAL 13 HN VAL 13 8.713 26.259 -22.793 91 HA VAL 13 HA VAL 13 11.622 26.560 -23.162 92 HB VAL 13 HB VAL 13 11.578 24.476 -24.661 93 HG11 VAL 13 HG11 VAL 13 11.108 23.984 -21.693 94 HG12 VAL 13 HG12 VAL 13 12.654 24.380 -22.447 95 HG13 VAL 13 HG13 VAL 13 11.861 22.846 -22.814 96 HG21 VAL 13 HG21 VAL 13 9.805 22.785 -24.265 97 HG22 VAL 13 HG22 VAL 13 9.133 24.272 -24.942 98 HG23 VAL 13 HG23 VAL 13 8.951 23.925 -23.221 99 H GLN 14 HN GLN 14 12.124 26.534 -25.543 100 HA GLN 14 HA GLN 14 10.269 28.247 -27.005 101 HB2 GLN 14 HB2 GLN 14 12.088 28.687 -28.539 102 HB3 GLN 14 HB1 GLN 14 12.736 28.778 -26.912 103 HG2 GLN 14 HG2 GLN 14 13.078 26.412 -28.800 104 HG3 GLN 14 HG1 GLN 14 14.279 27.679 -28.528 105 HE21 GLN 14 HE21 GLN 14 12.729 24.833 -27.169 106 HE22 GLN 14 HE22 GLN 14 13.870 24.585 -25.893 107 H ALA 15 HN ALA 15 9.426 27.773 -29.082 108 HA ALA 15 HA ALA 15 8.838 25.079 -29.770 109 HB1 ALA 15 HB1 ALA 15 7.782 26.063 -31.764 110 HB2 ALA 15 HB2 ALA 15 8.535 27.621 -31.405 111 HB3 ALA 15 HB3 ALA 15 7.333 26.945 -30.303 112 H GLY 16 HN GLY 16 9.696 23.806 -31.415 113 HA2 GLY 16 HA2 GLY 16 11.164 23.168 -33.121 114 HA3 GLY 16 HA1 GLY 16 12.051 24.676 -32.934 115 H GLY 17 HN GLY 17 12.146 24.338 -29.976 116 HA2 GLY 17 HA2 GLY 17 14.428 22.586 -29.695 117 HA3 GLY 17 HA1 GLY 17 13.668 23.558 -28.445 118 H SER 18 HN SER 18 14.227 21.412 -27.327 119 HA SER 18 HA SER 18 11.886 19.604 -27.445 120 HB2 SER 18 HB2 SER 18 13.470 17.778 -26.680 121 HB3 SER 18 HB1 SER 18 13.793 18.377 -28.306 122 HG SER 18 HG SER 18 15.739 18.426 -27.440 123 H LEU 19 HN LEU 19 11.423 18.521 -25.417 124 HA LEU 19 HA LEU 19 12.536 19.569 -22.939 125 HB2 LEU 19 HB2 LEU 19 10.612 21.070 -23.396 126 HB3 LEU 19 HB1 LEU 19 9.550 19.683 -23.558 127 HG LEU 19 HG LEU 19 9.853 19.144 -21.159 128 HD11 LEU 19 HD11 LEU 19 12.127 19.959 -20.811 129 HD12 LEU 19 HD12 LEU 19 11.025 20.665 -19.633 130 HD13 LEU 19 HD13 LEU 19 11.583 21.629 -21.003 131 HD21 LEU 19 HD21 LEU 19 7.991 20.610 -21.803 132 HD22 LEU 19 HD22 LEU 19 9.020 22.032 -21.596 133 HD23 LEU 19 HD23 LEU 19 8.603 21.028 -20.203 134 H ARG 20 HN ARG 20 12.833 17.928 -21.591 135 HA ARG 20 HA ARG 20 11.495 15.344 -22.087 136 HB2 ARG 20 HB2 ARG 20 14.011 15.383 -22.292 137 HB3 ARG 20 HB1 ARG 20 14.104 15.843 -20.598 138 HG2 ARG 20 HG2 ARG 20 12.519 13.521 -20.547 139 HG3 ARG 20 HG1 ARG 20 13.695 13.185 -21.817 140 HD2 ARG 20 HD2 ARG 20 14.559 12.356 -19.719 141 HD3 ARG 20 HD1 ARG 20 15.524 13.757 -20.198 142 HE ARG 20 HE ARG 20 13.376 14.532 -18.493 143 HH11 ARG 20 HH11 ARG 20 16.598 13.116 -18.388 144 HH12 ARG 20 HH12 ARG 20 16.843 13.517 -16.719 145 HH21 ARG 20 HH21 ARG 20 13.716 15.040 -16.306 146 HH22 ARG 20 HH22 ARG 20 15.211 14.607 -15.541 147 H LEU 21 HN LEU 21 9.833 15.146 -20.752 148 HA LEU 21 HA LEU 21 9.836 16.060 -18.010 149 HB2 LEU 21 HB2 LEU 21 7.835 14.458 -19.658 150 HB3 LEU 21 HB1 LEU 21 7.606 14.760 -17.950 151 HG LEU 21 HG LEU 21 6.242 16.318 -19.163 152 HD11 LEU 21 HD11 LEU 21 8.666 17.799 -18.130 153 HD12 LEU 21 HD12 LEU 21 7.321 17.192 -17.161 154 HD13 LEU 21 HD13 LEU 21 7.043 18.457 -18.352 155 HD21 LEU 21 HD21 LEU 21 8.700 17.189 -20.711 156 HD22 LEU 21 HD22 LEU 21 7.089 17.906 -20.826 157 HD23 LEU 21 HD23 LEU 21 7.350 16.241 -21.341 158 H SER 22 HN SER 22 9.707 14.658 -16.227 159 HA SER 22 HA SER 22 10.344 11.814 -16.578 160 HB2 SER 22 HB2 SER 22 12.081 12.111 -14.683 161 HB3 SER 22 HB1 SER 22 12.545 12.704 -16.278 162 HG SER 22 HG SER 22 11.328 14.430 -14.403 163 H CYS 23 HN CYS 23 8.916 10.736 -15.427 164 HA CYS 23 HA CYS 23 7.616 11.907 -13.071 165 HB2 CYS 23 HB2 CYS 23 6.057 11.216 -14.809 166 HB3 CYS 23 HB1 CYS 23 6.782 9.610 -14.880 167 HG CYS 23 HG CYS 23 4.480 10.819 -12.806 168 H VAL 24 HN VAL 24 8.605 11.319 -11.254 169 HA VAL 24 HA VAL 24 10.109 8.849 -11.002 170 HB VAL 24 HB VAL 24 9.480 10.972 -8.902 171 HG11 VAL 24 HG11 VAL 24 11.641 8.827 -8.938 172 HG12 VAL 24 HG12 VAL 24 10.215 8.847 -7.898 173 HG13 VAL 24 HG13 VAL 24 11.462 10.080 -7.706 174 HG21 VAL 24 HG21 VAL 24 10.656 11.993 -10.818 175 HG22 VAL 24 HG22 VAL 24 11.920 10.763 -10.720 176 HG23 VAL 24 HG23 VAL 24 11.715 11.925 -9.407 177 H ALA 25 HN ALA 25 9.180 6.992 -10.385 178 HA ALA 25 HA ALA 25 6.386 6.973 -9.555 179 HB1 ALA 25 HB1 ALA 25 7.068 5.554 -11.441 180 HB2 ALA 25 HB2 ALA 25 6.460 4.570 -10.109 181 HB3 ALA 25 HB3 ALA 25 8.199 4.682 -10.404 182 H SER 26 HN SER 26 6.338 7.475 -7.435 183 HA SER 26 HA SER 26 6.206 7.157 -5.218 184 HB2 SER 26 HB2 SER 26 5.197 5.002 -5.963 185 HB3 SER 26 HB1 SER 26 6.788 4.245 -5.899 186 HG SER 26 HG SER 26 6.769 4.923 -3.604 187 H GLY 27 HN GLY 27 8.614 8.171 -6.102 188 HA2 GLY 27 HA2 GLY 27 10.728 8.705 -5.311 189 HA3 GLY 27 HA1 GLY 27 10.518 7.527 -4.016 190 H ARG 28 HN ARG 28 10.678 5.223 -4.653 191 HA ARG 28 HA ARG 28 11.472 4.457 -7.296 192 HB2 ARG 28 HB2 ARG 28 13.705 5.077 -6.329 193 HB3 ARG 28 HB1 ARG 28 13.456 3.901 -5.038 194 HG2 ARG 28 HG2 ARG 28 13.403 2.076 -6.699 195 HG3 ARG 28 HG1 ARG 28 13.599 3.245 -8.004 196 HD2 ARG 28 HD2 ARG 28 15.725 2.215 -7.591 197 HD3 ARG 28 HD1 ARG 28 15.813 3.883 -7.020 198 HE ARG 28 HE ARG 28 15.077 2.173 -4.895 199 HH11 ARG 28 HH11 ARG 28 17.892 3.073 -6.795 200 HH12 ARG 28 HH12 ARG 28 19.015 2.535 -5.588 201 HH21 ARG 28 HH21 ARG 28 16.552 1.476 -3.353 202 HH22 ARG 28 HH22 ARG 28 18.250 1.638 -3.643 203 H THR 29 HN THR 29 9.484 3.390 -7.086 204 HA THR 29 HA THR 29 9.683 0.757 -5.786 205 HB THR 29 HB THR 29 7.184 2.516 -5.648 206 HG1 THR 29 HG1 THR 29 9.324 2.255 -3.976 207 HG21 THR 29 HG21 THR 29 6.236 0.747 -4.209 208 HG22 THR 29 HG22 THR 29 7.689 -0.227 -4.436 209 HG23 THR 29 HG23 THR 29 6.626 0.101 -5.807 210 H PHE 30 HN PHE 30 8.905 -0.868 -7.059 211 HA PHE 30 HA PHE 30 7.676 -0.208 -9.661 212 HB2 PHE 30 HB2 PHE 30 8.455 -2.444 -10.415 213 HB3 PHE 30 HB1 PHE 30 9.795 -1.449 -9.870 214 HD1 PHE 30 HD1 PHE 30 11.008 -2.008 -7.764 215 HD2 PHE 30 HD2 PHE 30 7.855 -4.510 -9.215 216 HE1 PHE 30 HE1 PHE 30 11.747 -3.821 -6.277 217 HE2 PHE 30 HE2 PHE 30 8.605 -6.313 -7.722 218 HZ PHE 30 HZ PHE 30 10.551 -5.971 -6.253 219 H ARG 31 HN ARG 31 5.757 -1.150 -10.202 220 HA ARG 31 HA ARG 31 4.449 -3.146 -8.587 221 HB2 ARG 31 HB2 ARG 31 4.005 -1.031 -7.286 222 HB3 ARG 31 HB1 ARG 31 3.229 -0.345 -8.708 223 HG2 ARG 31 HG2 ARG 31 1.555 -1.174 -7.109 224 HG3 ARG 31 HG1 ARG 31 1.480 -2.086 -8.620 225 HD2 ARG 31 HD2 ARG 31 2.807 -3.903 -7.566 226 HD3 ARG 31 HD1 ARG 31 2.834 -2.992 -6.053 227 HE ARG 31 HE ARG 31 0.161 -3.293 -6.722 228 HH11 ARG 31 HH11 ARG 31 2.832 -5.483 -6.065 229 HH12 ARG 31 HH12 ARG 31 1.820 -6.688 -5.342 230 HH21 ARG 31 HH21 ARG 31 -1.149 -4.883 -5.796 231 HH22 ARG 31 HH22 ARG 31 -0.447 -6.353 -5.200 232 H SER 32 HN SER 32 3.984 -0.574 -11.024 233 HA SER 32 HA SER 32 2.251 -2.328 -12.618 234 HB2 SER 32 HB2 SER 32 1.703 -0.297 -13.897 235 HB3 SER 32 HB1 SER 32 1.459 -0.027 -12.171 236 HG SER 32 HG SER 32 2.850 1.443 -13.761 237 H ASN 33 HN ASN 33 2.987 -3.338 -14.369 238 HA ASN 33 HA ASN 33 5.406 -2.435 -15.788 239 HB2 ASN 33 HB2 ASN 33 3.665 -4.903 -16.184 240 HB3 ASN 33 HB1 ASN 33 5.101 -4.533 -17.137 241 HD21 ASN 33 HD21 ASN 33 4.655 -6.893 -15.593 242 HD22 ASN 33 HD22 ASN 33 5.882 -6.946 -14.375 243 H ALA 34 HN ALA 34 2.241 -1.657 -15.668 244 HA ALA 34 HA ALA 34 1.997 -0.986 -18.536 245 HB1 ALA 34 HB1 ALA 34 -0.207 -1.492 -16.491 246 HB2 ALA 34 HB2 ALA 34 0.283 -2.597 -17.777 247 HB3 ALA 34 HB3 ALA 34 -0.446 -1.043 -18.182 248 H MET 35 HN MET 35 1.954 1.127 -18.959 249 HA MET 35 HA MET 35 1.330 3.224 -17.059 250 HB2 MET 35 HB2 MET 35 4.193 2.762 -18.042 251 HB3 MET 35 HB1 MET 35 3.642 4.350 -17.516 252 HG2 MET 35 HG2 MET 35 3.068 3.378 -15.308 253 HG3 MET 35 HG1 MET 35 3.748 1.839 -15.834 254 HE1 MET 35 HE1 MET 35 6.269 3.488 -13.165 255 HE2 MET 35 HE2 MET 35 5.158 2.143 -13.427 256 HE3 MET 35 HE3 MET 35 4.530 3.781 -13.216 257 H GLY 36 HN GLY 36 1.576 5.395 -18.126 258 HA2 GLY 36 HA2 GLY 36 1.922 5.582 -20.980 259 HA3 GLY 36 HA1 GLY 36 0.234 5.732 -20.490 260 H TRP 37 HN TRP 37 0.850 7.895 -21.628 261 HA TRP 37 HA TRP 37 1.179 9.852 -19.433 262 HB2 TRP 37 HB2 TRP 37 2.380 10.096 -22.237 263 HB3 TRP 37 HB1 TRP 37 2.157 11.478 -21.174 264 HD1 TRP 37 HD1 TRP 37 4.337 8.322 -21.543 265 HE1 TRP 37 HE1 TRP 37 6.408 8.589 -20.055 266 HE3 TRP 37 HE3 TRP 37 3.028 12.608 -19.042 267 HZ2 TRP 37 HZ2 TRP 37 7.369 10.340 -18.066 268 HZ3 TRP 37 HZ3 TRP 37 4.589 13.512 -17.357 269 HH2 TRP 37 HH2 TRP 37 6.719 12.399 -16.880 270 H PHE 38 HN PHE 38 -0.443 11.241 -19.319 271 HA PHE 38 HA PHE 38 -2.315 11.606 -21.590 272 HB2 PHE 38 HB2 PHE 38 -2.937 11.459 -18.599 273 HB3 PHE 38 HB1 PHE 38 -4.075 12.083 -19.782 274 HD1 PHE 38 HD1 PHE 38 -5.652 10.616 -20.691 275 HD2 PHE 38 HD2 PHE 38 -2.049 8.990 -19.072 276 HE1 PHE 38 HE1 PHE 38 -6.524 8.346 -21.022 277 HE2 PHE 38 HE2 PHE 38 -2.929 6.721 -19.414 278 HZ PHE 38 HZ PHE 38 -5.165 6.395 -20.386 279 H ARG 39 HN ARG 39 -3.232 13.746 -21.743 280 HA ARG 39 HA ARG 39 -1.768 15.862 -20.261 281 HB2 ARG 39 HB2 ARG 39 -1.813 17.299 -22.236 282 HB3 ARG 39 HB1 ARG 39 -0.992 15.789 -22.606 283 HG2 ARG 39 HG2 ARG 39 -2.986 14.970 -23.787 284 HG3 ARG 39 HG1 ARG 39 -3.844 16.459 -23.384 285 HD2 ARG 39 HD2 ARG 39 -2.210 17.763 -24.694 286 HD3 ARG 39 HD1 ARG 39 -1.346 16.274 -25.095 287 HE ARG 39 HE ARG 39 -3.544 15.560 -26.150 288 HH11 ARG 39 HH11 ARG 39 -2.546 18.937 -26.060 289 HH12 ARG 39 HH12 ARG 39 -3.465 19.360 -27.466 290 HH21 ARG 39 HH21 ARG 39 -4.742 16.135 -27.971 291 HH22 ARG 39 HH22 ARG 39 -4.711 17.771 -28.546 292 H GLN 40 HN GLN 40 -2.934 17.354 -19.349 293 HA GLN 40 HA GLN 40 -5.844 17.565 -19.769 294 HB2 GLN 40 HB2 GLN 40 -4.036 18.316 -17.428 295 HB3 GLN 40 HB1 GLN 40 -5.710 18.848 -17.530 296 HG2 GLN 40 HG2 GLN 40 -5.010 15.904 -17.643 297 HG3 GLN 40 HG1 GLN 40 -5.121 16.753 -16.101 298 HE21 GLN 40 HE21 GLN 40 -6.873 15.366 -15.518 299 HE22 GLN 40 HE22 GLN 40 -8.463 15.638 -16.137 300 H ALA 41 HN ALA 41 -6.710 19.723 -19.920 301 HA ALA 41 HA ALA 41 -4.873 21.924 -20.587 302 HB1 ALA 41 HB1 ALA 41 -6.069 22.385 -22.712 303 HB2 ALA 41 HB2 ALA 41 -7.054 20.942 -22.476 304 HB3 ALA 41 HB3 ALA 41 -5.319 20.786 -22.737 305 HA PRO 42 HA PRO 42 -7.678 24.579 -18.313 306 HB2 PRO 42 HB2 PRO 42 -7.755 26.286 -20.813 307 HB3 PRO 42 HB1 PRO 42 -7.530 26.780 -19.126 308 HG2 PRO 42 HG2 PRO 42 -5.417 26.612 -20.712 309 HG3 PRO 42 HG1 PRO 42 -5.314 25.985 -19.052 310 HD2 PRO 42 HD2 PRO 42 -5.594 24.465 -21.639 311 HD3 PRO 42 HD1 PRO 42 -4.662 24.056 -20.181 312 H GLY 43 HN GLY 43 -9.569 23.503 -18.022 313 HA2 GLY 43 HA2 GLY 43 -11.838 23.200 -18.117 314 HA3 GLY 43 HA1 GLY 43 -11.912 24.280 -19.496 315 H LYS 44 HN LYS 44 -9.809 21.506 -19.613 316 HA LYS 44 HA LYS 44 -11.676 20.035 -21.392 317 HB2 LYS 44 HB2 LYS 44 -8.728 20.610 -21.927 318 HB3 LYS 44 HB1 LYS 44 -9.719 19.515 -22.879 319 HG2 LYS 44 HG2 LYS 44 -10.450 22.446 -22.625 320 HG3 LYS 44 HG1 LYS 44 -9.241 21.908 -23.785 321 HD2 LYS 44 HD2 LYS 44 -11.268 22.049 -25.013 322 HD3 LYS 44 HD1 LYS 44 -11.017 20.330 -24.734 323 HE2 LYS 44 HE2 LYS 44 -12.671 20.436 -22.871 324 HE3 LYS 44 HE1 LYS 44 -12.948 22.139 -23.238 325 HZ1 LYS 44 HZ1 LYS 44 -13.725 21.491 -25.428 326 HZ2 LYS 44 HZ2 LYS 44 -14.622 20.719 -24.217 327 HZ3 LYS 44 HZ3 LYS 44 -13.444 19.862 -25.075 328 H GLU 45 HN GLU 45 -11.449 17.804 -21.360 329 HA GLU 45 HA GLU 45 -10.485 16.607 -18.931 330 HB2 GLU 45 HB2 GLU 45 -11.727 15.419 -21.441 331 HB3 GLU 45 HB1 GLU 45 -11.427 14.514 -19.958 332 HG2 GLU 45 HG2 GLU 45 -13.024 15.860 -18.733 333 HG3 GLU 45 HG1 GLU 45 -13.218 16.960 -20.097 334 H ARG 46 HN ARG 46 -9.226 14.444 -19.051 335 HA ARG 46 HA ARG 46 -6.680 15.021 -20.237 336 HB2 ARG 46 HB2 ARG 46 -5.753 13.177 -19.088 337 HB3 ARG 46 HB1 ARG 46 -6.943 13.853 -17.992 338 HG2 ARG 46 HG2 ARG 46 -7.433 11.381 -19.685 339 HG3 ARG 46 HG1 ARG 46 -6.772 11.331 -18.054 340 HD2 ARG 46 HD2 ARG 46 -9.039 10.879 -17.720 341 HD3 ARG 46 HD1 ARG 46 -8.933 12.600 -17.364 342 HE ARG 46 HE ARG 46 -9.623 12.281 -20.077 343 HH11 ARG 46 HH11 ARG 46 -11.061 11.802 -16.913 344 HH12 ARG 46 HH12 ARG 46 -12.684 11.927 -17.502 345 HH21 ARG 46 HH21 ARG 46 -11.756 12.398 -20.833 346 HH22 ARG 46 HH22 ARG 46 -13.078 12.289 -19.720 347 H GLU 47 HN GLU 47 -5.609 13.972 -21.891 348 HA GLU 47 HA GLU 47 -7.235 12.222 -23.652 349 HB2 GLU 47 HB2 GLU 47 -6.825 14.493 -24.616 350 HB3 GLU 47 HB1 GLU 47 -5.088 14.240 -24.457 351 HG2 GLU 47 HG2 GLU 47 -5.339 12.242 -26.007 352 HG3 GLU 47 HG1 GLU 47 -7.009 12.741 -26.267 353 H PHE 48 HN PHE 48 -6.300 10.385 -24.371 354 HA PHE 48 HA PHE 48 -3.957 9.298 -23.129 355 HB2 PHE 48 HB2 PHE 48 -5.914 7.912 -23.704 356 HB3 PHE 48 HB1 PHE 48 -5.728 8.295 -25.408 357 HD1 PHE 48 HD1 PHE 48 -4.074 6.556 -22.548 358 HD2 PHE 48 HD2 PHE 48 -4.336 6.935 -26.796 359 HE1 PHE 48 HE1 PHE 48 -2.667 4.563 -22.816 360 HE2 PHE 48 HE2 PHE 48 -2.927 4.941 -27.056 361 HZ PHE 48 HZ PHE 48 -2.095 3.756 -25.070 362 H VAL 49 HN VAL 49 -1.951 9.932 -23.737 363 HA VAL 49 HA VAL 49 -1.474 10.854 -26.510 364 HB VAL 49 HB VAL 49 0.344 11.476 -24.143 365 HG11 VAL 49 HG11 VAL 49 1.294 11.887 -26.386 366 HG12 VAL 49 HG12 VAL 49 1.054 13.404 -25.520 367 HG13 VAL 49 HG13 VAL 49 -0.075 12.925 -26.791 368 HG21 VAL 49 HG21 VAL 49 -2.028 13.148 -25.051 369 HG22 VAL 49 HG22 VAL 49 -0.811 13.648 -23.872 370 HG23 VAL 49 HG23 VAL 49 -1.882 12.292 -23.512 371 H ALA 50 HN ALA 50 -0.180 8.749 -23.936 372 HA ALA 50 HA ALA 50 1.553 7.362 -25.887 373 HB1 ALA 50 HB1 ALA 50 2.967 9.043 -24.739 374 HB2 ALA 50 HB2 ALA 50 3.464 7.396 -24.354 375 HB3 ALA 50 HB3 ALA 50 2.538 8.336 -23.180 376 H ALA 51 HN ALA 51 2.309 5.282 -25.162 377 HA ALA 51 HA ALA 51 1.025 4.030 -22.845 378 HB1 ALA 51 HB1 ALA 51 0.832 2.837 -25.636 379 HB2 ALA 51 HB2 ALA 51 -0.496 3.549 -24.727 380 HB3 ALA 51 HB3 ALA 51 0.278 2.079 -24.140 381 H ILE 52 HN ILE 52 2.485 2.981 -21.776 382 HA ILE 52 HA ILE 52 4.816 1.703 -23.049 383 HB ILE 52 HB ILE 52 4.584 3.006 -20.294 384 HG12 ILE 52 HG12 ILE 52 6.381 3.688 -22.668 385 HG13 ILE 52 HG11 ILE 52 4.962 4.601 -22.170 386 HG21 ILE 52 HG21 ILE 52 5.876 0.934 -20.072 387 HG22 ILE 52 HG22 ILE 52 6.929 2.335 -19.897 388 HG23 ILE 52 HG23 ILE 52 6.927 1.422 -21.404 389 HD11 ILE 52 HD11 ILE 52 6.089 5.191 -20.073 390 HD12 ILE 52 HD12 ILE 52 7.008 5.699 -21.487 391 HD13 ILE 52 HD13 ILE 52 7.511 4.274 -20.580 392 H ARG 53 HN ARG 53 4.738 -0.428 -22.908 393 HA ARG 53 HA ARG 53 2.955 -1.751 -20.940 394 HB2 ARG 53 HB2 ARG 53 2.944 -3.662 -22.628 395 HB3 ARG 53 HB1 ARG 53 2.106 -2.199 -23.132 396 HG2 ARG 53 HG2 ARG 53 3.720 -1.648 -24.731 397 HG3 ARG 53 HG1 ARG 53 4.980 -2.595 -23.943 398 HD2 ARG 53 HD2 ARG 53 2.582 -3.803 -25.356 399 HD3 ARG 53 HD1 ARG 53 4.172 -3.561 -26.096 400 HE ARG 53 HE ARG 53 4.577 -4.972 -23.728 401 HH11 ARG 53 HH11 ARG 53 3.069 -5.531 -26.847 402 HH12 ARG 53 HH12 ARG 53 3.279 -7.250 -26.769 403 HH21 ARG 53 HH21 ARG 53 4.872 -7.217 -23.661 404 HH22 ARG 53 HH22 ARG 53 4.313 -8.200 -24.973 405 H TRP 54 HN TRP 54 3.674 -4.148 -20.682 406 HA TRP 54 HA TRP 54 6.134 -4.386 -19.375 407 HB2 TRP 54 HB2 TRP 54 4.173 -5.866 -18.989 408 HB3 TRP 54 HB1 TRP 54 4.390 -6.574 -20.584 409 HD1 TRP 54 HD1 TRP 54 6.511 -6.221 -17.320 410 HE1 TRP 54 HE1 TRP 54 7.839 -8.386 -16.985 411 HE3 TRP 54 HE3 TRP 54 5.067 -8.737 -21.539 412 HZ2 TRP 54 HZ2 TRP 54 8.255 -10.823 -18.310 413 HZ3 TRP 54 HZ3 TRP 54 5.985 -10.992 -21.927 414 HH2 TRP 54 HH2 TRP 54 7.545 -12.012 -20.343 415 H SER 55 HN SER 55 7.893 -5.940 -19.966 416 HA SER 55 HA SER 55 9.564 -5.120 -21.874 417 HB2 SER 55 HB2 SER 55 10.035 -6.780 -20.022 418 HB3 SER 55 HB1 SER 55 9.367 -8.050 -21.052 419 HG SER 55 HG SER 55 11.672 -6.453 -21.500 420 H GLY 56 HN GLY 56 9.666 -5.092 -24.017 421 HA2 GLY 56 HA2 GLY 56 9.453 -6.048 -26.219 422 HA3 GLY 56 HA1 GLY 56 8.049 -6.952 -25.676 423 H GLY 57 HN GLY 57 8.573 -3.570 -24.843 424 HA2 GLY 57 HA2 GLY 57 7.754 -2.065 -26.919 425 HA3 GLY 57 HA1 GLY 57 6.219 -2.682 -26.321 426 H SER 58 HN SER 58 7.346 0.087 -26.377 427 HA SER 58 HA SER 58 6.469 1.002 -23.813 428 HB2 SER 58 HB2 SER 58 8.760 0.200 -23.173 429 HB3 SER 58 HB1 SER 58 9.473 1.221 -24.417 430 HG SER 58 HG SER 58 8.693 3.036 -23.263 431 H THR 59 HN THR 59 5.481 1.633 -26.322 432 HA THR 59 HA THR 59 6.280 4.365 -26.867 433 HB THR 59 HB THR 59 6.630 3.855 -29.387 434 HG1 THR 59 HG1 THR 59 5.927 1.615 -29.123 435 HG21 THR 59 HG21 THR 59 8.521 4.582 -27.965 436 HG22 THR 59 HG22 THR 59 9.040 3.412 -29.180 437 HG23 THR 59 HG23 THR 59 8.822 2.903 -27.503 438 H TYR 60 HN TYR 60 4.503 5.455 -27.413 439 HA TYR 60 HA TYR 60 2.785 4.530 -29.496 440 HB2 TYR 60 HB2 TYR 60 1.809 3.643 -27.205 441 HB3 TYR 60 HB1 TYR 60 1.319 5.314 -26.947 442 HD1 TYR 60 HD1 TYR 60 0.777 2.260 -28.894 443 HD2 TYR 60 HD2 TYR 60 -0.428 6.335 -28.407 444 HE1 TYR 60 HE1 TYR 60 -1.208 1.856 -30.315 445 HE2 TYR 60 HE2 TYR 60 -2.402 5.937 -29.818 446 HH TYR 60 HH TYR 60 -3.108 4.372 -31.589 447 H TYR 61 HN TYR 61 2.108 6.236 -30.649 448 HA TYR 61 HA TYR 61 1.878 8.926 -29.655 449 HB2 TYR 61 HB2 TYR 61 3.662 9.826 -31.306 450 HB3 TYR 61 HB1 TYR 61 4.259 9.049 -29.851 451 HD1 TYR 61 HD1 TYR 61 5.588 7.021 -29.966 452 HD2 TYR 61 HD2 TYR 61 3.874 8.655 -33.530 453 HE1 TYR 61 HE1 TYR 61 7.019 5.561 -31.324 454 HE2 TYR 61 HE2 TYR 61 5.299 7.191 -34.884 455 HH TYR 61 HH TYR 61 7.039 4.579 -33.578 456 H ALA 62 HN ALA 62 0.991 10.359 -31.217 457 HA ALA 62 HA ALA 62 -0.444 9.217 -33.446 458 HB1 ALA 62 HB1 ALA 62 -0.023 12.119 -32.635 459 HB2 ALA 62 HB2 ALA 62 -1.389 11.098 -32.181 460 HB3 ALA 62 HB3 ALA 62 -1.154 11.553 -33.870 461 H ASP 63 HN ASP 63 -0.098 9.885 -35.716 462 HA ASP 63 HA ASP 63 2.664 9.859 -36.475 463 HB2 ASP 63 HB2 ASP 63 0.943 8.753 -37.866 464 HB3 ASP 63 HB1 ASP 63 0.206 10.316 -38.201 465 H SER 64 HN SER 64 0.355 12.367 -35.853 466 HA SER 64 HA SER 64 1.537 14.578 -37.127 467 HB2 SER 64 HB2 SER 64 0.051 14.493 -34.468 468 HB3 SER 64 HB1 SER 64 0.282 15.922 -35.484 469 HG SER 64 HG SER 64 -0.984 14.951 -37.076 470 H VAL 65 HN VAL 65 2.282 12.944 -34.080 471 HA VAL 65 HA VAL 65 4.596 14.744 -33.604 472 HB VAL 65 HB VAL 65 4.571 13.873 -31.244 473 HG11 VAL 65 HG11 VAL 65 2.640 15.215 -30.480 474 HG12 VAL 65 HG12 VAL 65 2.007 15.247 -32.127 475 HG13 VAL 65 HG13 VAL 65 3.540 16.038 -31.756 476 HG21 VAL 65 HG21 VAL 65 1.916 12.608 -32.029 477 HG22 VAL 65 HG22 VAL 65 2.564 12.702 -30.387 478 HG23 VAL 65 HG23 VAL 65 3.395 11.741 -31.611 479 H LYS 66 HN LYS 66 4.196 12.116 -35.291 480 HA LYS 66 HA LYS 66 5.911 10.121 -34.290 481 HB2 LYS 66 HB2 LYS 66 4.391 9.770 -36.187 482 HB3 LYS 66 HB1 LYS 66 5.277 10.913 -37.172 483 HG2 LYS 66 HG2 LYS 66 6.617 8.403 -36.143 484 HG3 LYS 66 HG1 LYS 66 5.564 8.333 -37.554 485 HD2 LYS 66 HD2 LYS 66 8.098 10.002 -37.278 486 HD3 LYS 66 HD1 LYS 66 7.914 8.523 -38.220 487 HE2 LYS 66 HE2 LYS 66 6.439 11.131 -38.750 488 HE3 LYS 66 HE1 LYS 66 7.858 10.566 -39.631 489 HZ1 LYS 66 HZ1 LYS 66 6.541 8.592 -40.280 490 HZ2 LYS 66 HZ2 LYS 66 5.931 10.044 -40.894 491 HZ3 LYS 66 HZ3 LYS 66 5.172 9.297 -39.576 492 H GLY 67 HN GLY 67 8.035 10.130 -33.936 493 HA2 GLY 67 HA2 GLY 67 10.315 10.402 -34.422 494 HA3 GLY 67 HA1 GLY 67 9.933 11.615 -35.633 495 H ARG 68 HN ARG 68 8.200 13.096 -33.768 496 HA ARG 68 HA ARG 68 10.083 14.713 -32.316 497 HB2 ARG 68 HB2 ARG 68 7.028 14.661 -32.254 498 HB3 ARG 68 HB1 ARG 68 8.031 15.906 -31.512 499 HG2 ARG 68 HG2 ARG 68 8.826 16.601 -33.727 500 HG3 ARG 68 HG1 ARG 68 7.865 15.328 -34.488 501 HD2 ARG 68 HD2 ARG 68 6.790 17.593 -34.580 502 HD3 ARG 68 HD1 ARG 68 5.796 16.378 -33.767 503 HE ARG 68 HE ARG 68 7.481 18.041 -32.064 504 HH11 ARG 68 HH11 ARG 68 4.258 17.661 -33.408 505 HH12 ARG 68 HH12 ARG 68 3.495 18.544 -32.131 506 HH21 ARG 68 HH21 ARG 68 6.475 19.207 -30.422 507 HH22 ARG 68 HH22 ARG 68 4.758 19.446 -30.440 508 H PHE 69 HN PHE 69 7.651 12.294 -31.600 509 HA PHE 69 HA PHE 69 7.738 12.742 -28.719 510 HB2 PHE 69 HB2 PHE 69 5.629 12.588 -30.209 511 HB3 PHE 69 HB1 PHE 69 5.936 10.860 -30.292 512 HD1 PHE 69 HD1 PHE 69 4.848 13.645 -28.164 513 HD2 PHE 69 HD2 PHE 69 5.553 9.435 -28.326 514 HE1 PHE 69 HE1 PHE 69 3.544 13.336 -26.109 515 HE2 PHE 69 HE2 PHE 69 4.248 9.141 -26.277 516 HZ PHE 69 HZ PHE 69 3.240 11.083 -25.167 517 H THR 70 HN THR 70 8.785 11.411 -27.387 518 HA THR 70 HA THR 70 9.338 8.607 -28.059 519 HB THR 70 HB THR 70 11.489 10.528 -27.021 520 HG1 THR 70 HG1 THR 70 10.696 9.932 -29.542 521 HG21 THR 70 HG21 THR 70 11.777 8.208 -26.178 522 HG22 THR 70 HG22 THR 70 13.045 8.631 -27.333 523 HG23 THR 70 HG23 THR 70 11.702 7.604 -27.834 524 H ILE 71 HN ILE 71 9.197 7.281 -26.251 525 HA ILE 71 HA ILE 71 9.067 8.432 -23.557 526 HB ILE 71 HB ILE 71 7.056 6.966 -22.981 527 HG12 ILE 71 HG12 ILE 71 7.128 5.574 -25.123 528 HG13 ILE 71 HG11 ILE 71 5.540 6.143 -24.643 529 HG21 ILE 71 HG21 ILE 71 5.368 8.591 -23.725 530 HG22 ILE 71 HG22 ILE 71 6.535 9.285 -24.853 531 HG23 ILE 71 HG23 ILE 71 6.828 9.371 -23.116 532 HD11 ILE 71 HD11 ILE 71 7.221 7.466 -26.769 533 HD12 ILE 71 HD12 ILE 71 5.524 7.769 -26.389 534 HD13 ILE 71 HD13 ILE 71 6.013 6.225 -27.077 535 H SER 72 HN SER 72 9.698 7.017 -21.948 536 HA SER 72 HA SER 72 10.339 4.230 -22.536 537 HB2 SER 72 HB2 SER 72 12.532 6.202 -21.725 538 HB3 SER 72 HB1 SER 72 12.724 4.455 -21.899 539 HG SER 72 HG SER 72 11.865 4.981 -24.169 540 H ARG 73 HN ARG 73 10.261 2.983 -20.668 541 HA ARG 73 HA ARG 73 10.139 4.390 -18.054 542 HB2 ARG 73 HB2 ARG 73 8.110 3.141 -18.335 543 HB3 ARG 73 HB1 ARG 73 8.965 1.726 -18.940 544 HG2 ARG 73 HG2 ARG 73 9.881 1.256 -16.734 545 HG3 ARG 73 HG1 ARG 73 9.232 2.762 -16.092 546 HD2 ARG 73 HD2 ARG 73 6.964 1.935 -16.271 547 HD3 ARG 73 HD1 ARG 73 7.497 0.513 -17.164 548 HE ARG 73 HE ARG 73 7.716 -0.503 -15.154 549 HH11 ARG 73 HH11 ARG 73 8.427 2.903 -14.487 550 HH12 ARG 73 HH12 ARG 73 8.793 2.598 -12.825 551 HH21 ARG 73 HH21 ARG 73 8.184 -0.831 -12.981 552 HH22 ARG 73 HH22 ARG 73 8.666 0.494 -11.975 553 H ASP 74 HN ASP 74 11.827 4.155 -16.747 554 HA ASP 74 HA ASP 74 13.765 1.963 -17.151 555 HB2 ASP 74 HB2 ASP 74 14.589 4.367 -17.140 556 HB3 ASP 74 HB1 ASP 74 14.092 4.488 -15.459 557 H ASN 75 HN ASN 75 13.960 0.397 -15.632 558 HA ASN 75 HA ASN 75 12.102 0.318 -13.377 559 HB2 ASN 75 HB2 ASN 75 12.687 -2.053 -13.230 560 HB3 ASN 75 HB1 ASN 75 12.304 -1.634 -14.895 561 HD21 ASN 75 HD21 ASN 75 13.855 -3.892 -13.886 562 HD22 ASN 75 HD22 ASN 75 15.414 -3.790 -14.618 563 H ALA 76 HN ALA 76 15.508 0.852 -13.890 564 HA ALA 76 HA ALA 76 16.565 -0.262 -11.505 565 HB1 ALA 76 HB1 ALA 76 18.648 0.895 -12.095 566 HB2 ALA 76 HB2 ALA 76 17.787 1.867 -13.294 567 HB3 ALA 76 HB3 ALA 76 17.932 0.122 -13.511 568 H LYS 77 HN LYS 77 15.619 3.115 -12.320 569 HA LYS 77 HA LYS 77 15.597 3.670 -9.396 570 HB2 LYS 77 HB2 LYS 77 15.823 6.085 -9.900 571 HB3 LYS 77 HB1 LYS 77 17.223 5.145 -10.382 572 HG2 LYS 77 HG2 LYS 77 15.125 5.795 -12.442 573 HG3 LYS 77 HG1 LYS 77 16.256 7.052 -11.930 574 HD2 LYS 77 HD2 LYS 77 18.155 5.507 -12.544 575 HD3 LYS 77 HD1 LYS 77 16.963 4.370 -13.178 576 HE2 LYS 77 HE2 LYS 77 17.931 5.741 -14.985 577 HE3 LYS 77 HE1 LYS 77 16.203 6.041 -14.813 578 HZ1 LYS 77 HZ1 LYS 77 17.265 8.108 -15.080 579 HZ2 LYS 77 HZ2 LYS 77 18.431 7.765 -13.912 580 HZ3 LYS 77 HZ3 LYS 77 16.830 8.018 -13.447 581 H ASN 78 HN ASN 78 13.598 2.750 -11.688 582 HA ASN 78 HA ASN 78 11.442 2.949 -12.290 583 HB2 ASN 78 HB2 ASN 78 11.239 3.447 -9.304 584 HB3 ASN 78 HB1 ASN 78 9.813 3.286 -10.330 585 HD21 ASN 78 HD21 ASN 78 12.421 1.604 -8.788 586 HD22 ASN 78 HD22 ASN 78 11.922 0.009 -9.217 587 H THR 79 HN THR 79 12.183 4.809 -13.533 588 HA THR 79 HA THR 79 10.508 7.161 -12.948 589 HB THR 79 HB THR 79 13.384 7.342 -13.981 590 HG1 THR 79 HG1 THR 79 12.350 7.324 -11.444 591 HG21 THR 79 HG21 THR 79 11.930 9.150 -14.866 592 HG22 THR 79 HG22 THR 79 13.103 9.783 -13.709 593 HG23 THR 79 HG23 THR 79 11.425 9.545 -13.217 594 H VAL 80 HN VAL 80 9.374 7.803 -14.651 595 HA VAL 80 HA VAL 80 9.644 6.441 -17.248 596 HB VAL 80 HB VAL 80 7.324 8.156 -16.231 597 HG11 VAL 80 HG11 VAL 80 7.436 6.113 -18.482 598 HG12 VAL 80 HG12 VAL 80 7.351 7.866 -18.674 599 HG13 VAL 80 HG13 VAL 80 5.993 6.990 -17.964 600 HG21 VAL 80 HG21 VAL 80 7.623 6.276 -14.680 601 HG22 VAL 80 HG22 VAL 80 7.601 5.139 -16.030 602 HG23 VAL 80 HG23 VAL 80 6.151 6.065 -15.635 603 H TYR 81 HN TYR 81 9.696 7.745 -19.164 604 HA TYR 81 HA TYR 81 10.428 10.585 -18.772 605 HB2 TYR 81 HB2 TYR 81 11.886 8.533 -20.509 606 HB3 TYR 81 HB1 TYR 81 12.202 10.267 -20.546 607 HD1 TYR 81 HD1 TYR 81 12.940 7.150 -18.824 608 HD2 TYR 81 HD2 TYR 81 13.052 11.405 -18.430 609 HE1 TYR 81 HE1 TYR 81 14.505 6.934 -16.935 610 HE2 TYR 81 HE2 TYR 81 14.616 11.196 -16.552 611 HH TYR 81 HH TYR 81 15.235 9.538 -14.848 612 H LEU 82 HN LEU 82 9.723 11.977 -20.251 613 HA LEU 82 HA LEU 82 8.284 11.050 -22.661 614 HB2 LEU 82 HB2 LEU 82 6.674 11.789 -20.945 615 HB3 LEU 82 HB1 LEU 82 7.559 13.282 -20.717 616 HG LEU 82 HG LEU 82 6.949 13.956 -23.058 617 HD11 LEU 82 HD11 LEU 82 5.206 11.487 -23.000 618 HD12 LEU 82 HD12 LEU 82 6.615 11.755 -24.032 619 HD13 LEU 82 HD13 LEU 82 5.179 12.753 -24.229 620 HD21 LEU 82 HD21 LEU 82 5.637 14.774 -21.149 621 HD22 LEU 82 HD22 LEU 82 4.581 13.362 -21.256 622 HD23 LEU 82 HD23 LEU 82 4.622 14.540 -22.572 623 H GLN 83 HN GLN 83 10.020 11.463 -24.009 624 HA GLN 83 HA GLN 83 11.284 14.113 -24.000 625 HB2 GLN 83 HB2 GLN 83 12.747 12.110 -24.129 626 HB3 GLN 83 HB1 GLN 83 11.946 11.613 -25.614 627 HG2 GLN 83 HG2 GLN 83 14.119 12.661 -26.060 628 HG3 GLN 83 HG1 GLN 83 12.798 13.582 -26.781 629 HE21 GLN 83 HE21 GLN 83 12.334 15.661 -25.971 630 HE22 GLN 83 HE22 GLN 83 13.398 16.498 -24.896 631 H MET 84 HN MET 84 9.885 15.506 -24.902 632 HA MET 84 HA MET 84 8.663 14.929 -27.532 633 HB2 MET 84 HB2 MET 84 8.086 17.188 -25.562 634 HB3 MET 84 HB1 MET 84 7.233 16.901 -27.073 635 HG2 MET 84 HG2 MET 84 6.449 14.718 -26.162 636 HG3 MET 84 HG1 MET 84 7.216 15.125 -24.625 637 HE1 MET 84 HE1 MET 84 6.493 17.348 -23.181 638 HE2 MET 84 HE2 MET 84 5.103 18.348 -23.597 639 HE3 MET 84 HE3 MET 84 6.554 18.405 -24.596 640 H ASN 85 HN ASN 85 9.859 15.571 -29.186 641 HA ASN 85 HA ASN 85 11.745 17.840 -28.979 642 HB2 ASN 85 HB2 ASN 85 11.607 15.560 -31.006 643 HB3 ASN 85 HB1 ASN 85 12.797 16.859 -31.034 644 HD21 ASN 85 HD21 ASN 85 11.776 13.932 -29.412 645 HD22 ASN 85 HD22 ASN 85 13.226 13.695 -28.506 646 H SER 86 HN SER 86 11.958 19.230 -30.917 647 HA SER 86 HA SER 86 11.209 20.622 -32.546 648 HB2 SER 86 HB2 SER 86 9.635 18.201 -33.520 649 HB3 SER 86 HB1 SER 86 10.223 19.542 -34.499 650 HG SER 86 HG SER 86 12.371 18.679 -33.401 651 H LEU 87 HN LEU 87 9.937 21.137 -30.309 652 HA LEU 87 HA LEU 87 7.196 20.571 -30.100 653 HB2 LEU 87 HB2 LEU 87 8.996 22.532 -28.679 654 HB3 LEU 87 HB1 LEU 87 7.292 22.372 -28.259 655 HG LEU 87 HG LEU 87 9.295 20.073 -28.163 656 HD11 LEU 87 HD11 LEU 87 9.870 21.748 -26.480 657 HD12 LEU 87 HD12 LEU 87 9.238 20.280 -25.741 658 HD13 LEU 87 HD13 LEU 87 8.215 21.715 -25.858 659 HD21 LEU 87 HD21 LEU 87 7.009 19.311 -28.543 660 HD22 LEU 87 HD22 LEU 87 6.430 20.263 -27.171 661 HD23 LEU 87 HD23 LEU 87 7.527 18.908 -26.909 662 H LYS 88 HN LYS 88 5.397 21.751 -30.301 663 HA LYS 88 HA LYS 88 5.360 24.050 -32.132 664 HB2 LYS 88 HB2 LYS 88 3.170 22.225 -31.029 665 HB3 LYS 88 HB1 LYS 88 2.892 23.519 -32.189 666 HG2 LYS 88 HG2 LYS 88 4.738 21.179 -32.774 667 HG3 LYS 88 HG1 LYS 88 3.002 21.111 -33.089 668 HD2 LYS 88 HD2 LYS 88 4.901 23.178 -34.287 669 HD3 LYS 88 HD1 LYS 88 4.365 21.711 -35.113 670 HE2 LYS 88 HE2 LYS 88 2.010 22.510 -34.943 671 HE3 LYS 88 HE1 LYS 88 2.584 23.983 -34.163 672 HZ1 LYS 88 HZ1 LYS 88 3.758 24.562 -36.154 673 HZ2 LYS 88 HZ2 LYS 88 2.133 24.271 -36.515 674 HZ3 LYS 88 HZ3 LYS 88 3.306 23.114 -36.897 675 HA PRO 89 HA PRO 89 4.685 26.876 -28.638 676 HB2 PRO 89 HB2 PRO 89 2.887 28.445 -30.446 677 HB3 PRO 89 HB1 PRO 89 4.325 28.968 -29.551 678 HG2 PRO 89 HG2 PRO 89 4.380 28.590 -32.219 679 HG3 PRO 89 HG1 PRO 89 5.781 28.232 -31.194 680 HD2 PRO 89 HD2 PRO 89 3.830 26.332 -32.468 681 HD3 PRO 89 HD1 PRO 89 5.582 26.153 -32.174 682 H GLU 90 HN GLU 90 2.057 25.456 -30.418 683 HA GLU 90 HA GLU 90 -0.118 26.176 -28.698 684 HB2 GLU 90 HB2 GLU 90 -1.393 24.501 -30.014 685 HB3 GLU 90 HB1 GLU 90 -0.484 25.597 -31.053 686 HG2 GLU 90 HG2 GLU 90 1.264 23.879 -31.333 687 HG3 GLU 90 HG1 GLU 90 0.350 22.771 -30.313 688 H ASP 91 HN ASP 91 2.448 24.029 -28.199 689 HA ASP 91 HA ASP 91 1.019 21.984 -26.690 690 HB2 ASP 91 HB2 ASP 91 4.017 22.425 -27.037 691 HB3 ASP 91 HB1 ASP 91 3.267 21.002 -26.327 692 H THR 92 HN THR 92 0.706 24.669 -25.718 693 HA THR 92 HA THR 92 2.005 24.710 -23.110 694 HB THR 92 HB THR 92 -0.057 26.563 -24.382 695 HG1 THR 92 HG1 THR 92 1.905 26.831 -25.381 696 HG21 THR 92 HG21 THR 92 1.474 26.900 -21.773 697 HG22 THR 92 HG22 THR 92 -0.269 26.657 -21.925 698 HG23 THR 92 HG23 THR 92 0.474 28.138 -22.535 699 H ALA 93 HN ALA 93 1.215 23.058 -21.877 700 HA ALA 93 HA ALA 93 -1.604 22.940 -21.145 701 HB1 ALA 93 HB1 ALA 93 -1.854 20.543 -21.745 702 HB2 ALA 93 HB2 ALA 93 -0.243 20.549 -22.467 703 HB3 ALA 93 HB3 ALA 93 -1.531 21.523 -23.179 704 H VAL 94 HN VAL 94 -1.708 20.667 -19.711 705 HA VAL 94 HA VAL 94 0.655 20.634 -17.921 706 HB VAL 94 HB VAL 94 -0.962 21.809 -16.646 707 HG11 VAL 94 HG11 VAL 94 -3.084 19.828 -17.480 708 HG12 VAL 94 HG12 VAL 94 -2.940 21.495 -18.026 709 HG13 VAL 94 HG13 VAL 94 -3.324 21.150 -16.338 710 HG21 VAL 94 HG21 VAL 94 -1.254 18.913 -15.789 711 HG22 VAL 94 HG22 VAL 94 -1.543 20.327 -14.771 712 HG23 VAL 94 HG23 VAL 94 0.083 19.985 -15.366 713 H TYR 95 HN TYR 95 1.638 18.780 -18.372 714 HA TYR 95 HA TYR 95 0.166 16.376 -19.171 715 HB2 TYR 95 HB2 TYR 95 3.051 17.252 -19.349 716 HB3 TYR 95 HB1 TYR 95 2.706 15.532 -19.361 717 HD1 TYR 95 HD1 TYR 95 1.904 14.446 -21.349 718 HD2 TYR 95 HD2 TYR 95 2.036 18.717 -21.194 719 HE1 TYR 95 HE1 TYR 95 1.477 14.546 -23.767 720 HE2 TYR 95 HE2 TYR 95 1.613 18.816 -23.613 721 HH TYR 95 HH TYR 95 1.942 17.297 -25.616 722 H LEU 96 HN LEU 96 0.262 14.449 -18.111 723 HA LEU 96 HA LEU 96 1.764 14.131 -15.637 724 HB2 LEU 96 HB2 LEU 96 -0.346 13.171 -14.514 725 HB3 LEU 96 HB1 LEU 96 -0.206 14.908 -14.639 726 HG LEU 96 HG LEU 96 -1.762 14.751 -16.703 727 HD11 LEU 96 HD11 LEU 96 -3.289 12.833 -16.796 728 HD12 LEU 96 HD12 LEU 96 -2.325 12.000 -15.575 729 HD13 LEU 96 HD13 LEU 96 -1.627 12.369 -17.153 730 HD21 LEU 96 HD21 LEU 96 -2.499 15.670 -14.553 731 HD22 LEU 96 HD22 LEU 96 -2.904 14.050 -13.979 732 HD23 LEU 96 HD23 LEU 96 -3.795 14.760 -15.329 733 H CYS 97 HN CYS 97 2.033 11.909 -15.037 734 HA CYS 97 HA CYS 97 1.887 10.068 -17.329 735 HB2 CYS 97 HB2 CYS 97 4.063 10.378 -16.165 736 HB3 CYS 97 HB1 CYS 97 3.344 9.795 -14.666 737 HG CYS 97 HG CYS 97 2.687 7.277 -16.106 738 H ALA 98 HN ALA 98 0.869 8.070 -17.178 739 HA ALA 98 HA ALA 98 -0.950 7.605 -14.890 740 HB1 ALA 98 HB1 ALA 98 -2.101 7.852 -17.054 741 HB2 ALA 98 HB2 ALA 98 -2.265 6.205 -16.445 742 HB3 ALA 98 HB3 ALA 98 -1.118 6.558 -17.744 743 H ALA 99 HN ALA 99 -0.934 5.588 -13.935 744 HA ALA 99 HA ALA 99 0.543 3.369 -15.043 745 HB1 ALA 99 HB1 ALA 99 1.941 2.973 -13.069 746 HB2 ALA 99 HB2 ALA 99 1.347 4.461 -12.320 747 HB3 ALA 99 HB3 ALA 99 2.322 4.538 -13.789 748 H GLY 100 HN GLY 100 -0.486 1.549 -14.580 749 HA2 GLY 100 HA2 GLY 100 -1.698 1.115 -11.969 750 HA3 GLY 100 HA1 GLY 100 -2.813 1.083 -13.336 751 H VAL 101 HN VAL 101 -2.564 -1.155 -11.829 752 HA VAL 101 HA VAL 101 -0.490 -2.926 -12.550 753 HB VAL 101 HB VAL 101 -1.940 -4.751 -11.600 754 HG11 VAL 101 HG11 VAL 101 -1.922 -3.897 -9.275 755 HG12 VAL 101 HG12 VAL 101 -1.710 -2.252 -9.876 756 HG13 VAL 101 HG13 VAL 101 -0.444 -3.453 -10.134 757 HG21 VAL 101 HG21 VAL 101 -4.107 -4.164 -10.542 758 HG22 VAL 101 HG22 VAL 101 -4.158 -3.904 -12.287 759 HG23 VAL 101 HG23 VAL 101 -3.986 -2.527 -11.197 760 H TRP 102 HN TRP 102 -0.456 -4.724 -13.912 761 HA TRP 102 HA TRP 102 -1.321 -4.281 -16.526 762 HB2 TRP 102 HB2 TRP 102 0.659 -5.683 -15.884 763 HB3 TRP 102 HB1 TRP 102 -0.436 -6.938 -15.312 764 HD1 TRP 102 HD1 TRP 102 -1.439 -8.596 -17.159 765 HE1 TRP 102 HE1 TRP 102 -1.060 -8.862 -19.686 766 HE3 TRP 102 HE3 TRP 102 1.136 -4.266 -18.066 767 HZ2 TRP 102 HZ2 TRP 102 0.160 -7.439 -21.792 768 HZ3 TRP 102 HZ3 TRP 102 1.877 -3.795 -20.365 769 HH2 TRP 102 HH2 TRP 102 1.401 -5.349 -22.192 770 H ARG 103 HN ARG 103 -3.347 -4.285 -17.175 771 HA ARG 103 HA ARG 103 -5.475 -5.612 -15.795 772 HB2 ARG 103 HB2 ARG 103 -5.610 -3.344 -16.956 773 HB3 ARG 103 HB1 ARG 103 -5.607 -4.200 -18.496 774 HG2 ARG 103 HG2 ARG 103 -7.708 -5.327 -17.877 775 HG3 ARG 103 HG1 ARG 103 -7.692 -4.512 -16.311 776 HD2 ARG 103 HD2 ARG 103 -7.825 -2.321 -17.515 777 HD3 ARG 103 HD1 ARG 103 -7.989 -3.210 -19.036 778 HE ARG 103 HE ARG 103 -9.963 -4.208 -17.377 779 HH11 ARG 103 HH11 ARG 103 -9.208 -1.048 -18.680 780 HH12 ARG 103 HH12 ARG 103 -10.856 -0.527 -18.668 781 HH21 ARG 103 HH21 ARG 103 -12.107 -3.495 -17.343 782 HH22 ARG 103 HH22 ARG 103 -12.495 -1.909 -17.918 783 H SER 104 HN SER 104 -6.880 -7.227 -16.641 784 HA SER 104 HA SER 104 -5.632 -9.426 -17.912 785 HB2 SER 104 HB2 SER 104 -8.600 -8.927 -17.417 786 HB3 SER 104 HB1 SER 104 -7.856 -10.494 -17.744 787 HG SER 104 HG SER 104 -8.025 -10.368 -15.562 788 H SER 105 HN SER 105 -7.434 -6.727 -19.196 789 HA SER 105 HA SER 105 -8.058 -7.809 -21.780 790 HB2 SER 105 HB2 SER 105 -9.265 -5.874 -20.732 791 HB3 SER 105 HB1 SER 105 -7.811 -4.894 -20.908 792 HG SER 105 HG SER 105 -8.194 -5.783 -23.290 793 H GLY 106 HN GLY 106 -5.157 -6.610 -20.349 794 HA2 GLY 106 HA2 GLY 106 -3.024 -6.993 -21.358 795 HA3 GLY 106 HA1 GLY 106 -3.738 -6.754 -22.944 796 H TRP 107 HN TRP 107 -5.198 -4.338 -21.989 797 HA TRP 107 HA TRP 107 -3.179 -2.356 -22.576 798 HB2 TRP 107 HB2 TRP 107 -6.136 -2.026 -21.881 799 HB3 TRP 107 HB1 TRP 107 -5.090 -0.751 -22.496 800 HD1 TRP 107 HD1 TRP 107 -6.902 -3.952 -23.655 801 HE1 TRP 107 HE1 TRP 107 -7.022 -3.932 -26.218 802 HE3 TRP 107 HE3 TRP 107 -3.964 0.143 -24.593 803 HZ2 TRP 107 HZ2 TRP 107 -6.027 -2.409 -28.358 804 HZ3 TRP 107 HZ3 TRP 107 -3.602 0.816 -26.937 805 HH2 TRP 107 HH2 TRP 107 -4.615 -0.437 -28.781 806 H ASP 108 HN ASP 108 -2.804 -0.438 -21.241 807 HA ASP 108 HA ASP 108 -2.531 -0.883 -18.431 808 HB2 ASP 108 HB2 ASP 108 -0.947 0.649 -19.451 809 HB3 ASP 108 HB1 ASP 108 -2.238 1.639 -20.121 810 H THR 109 HN THR 109 -4.106 -0.716 -16.951 811 HA THR 109 HA THR 109 -6.404 1.072 -17.370 812 HB THR 109 HB THR 109 -7.029 -1.140 -16.551 813 HG1 THR 109 HG1 THR 109 -8.349 -0.447 -14.970 814 HG21 THR 109 HG21 THR 109 -4.970 -1.841 -15.403 815 HG22 THR 109 HG22 THR 109 -6.368 -2.001 -14.338 816 HG23 THR 109 HG23 THR 109 -5.259 -0.644 -14.137 817 HA PRO 110 HA PRO 110 -3.677 4.005 -15.210 818 HB2 PRO 110 HB2 PRO 110 -5.333 6.214 -15.391 819 HB3 PRO 110 HB1 PRO 110 -4.303 5.655 -16.715 820 HG2 PRO 110 HG2 PRO 110 -7.244 5.172 -16.263 821 HG3 PRO 110 HG1 PRO 110 -6.398 5.591 -17.770 822 HD2 PRO 110 HD2 PRO 110 -7.146 3.036 -17.209 823 HD3 PRO 110 HD1 PRO 110 -5.666 3.397 -18.124 824 H ASP 111 HN ASP 111 -3.919 2.794 -13.254 825 HA ASP 111 HA ASP 111 -6.015 3.022 -11.373 826 HB2 ASP 111 HB2 ASP 111 -4.271 1.308 -11.123 827 HB3 ASP 111 HB1 ASP 111 -3.027 2.543 -10.963 828 H TYR 112 HN TYR 112 -3.138 4.919 -12.011 829 HA TYR 112 HA TYR 112 -4.114 7.112 -10.328 830 HB2 TYR 112 HB2 TYR 112 -2.487 5.468 -9.099 831 HB3 TYR 112 HB1 TYR 112 -1.226 6.143 -10.122 832 HD1 TYR 112 HD1 TYR 112 -3.840 7.052 -7.635 833 HD2 TYR 112 HD2 TYR 112 -0.199 8.221 -9.517 834 HE1 TYR 112 HE1 TYR 112 -3.631 8.936 -6.054 835 HE2 TYR 112 HE2 TYR 112 0.026 10.099 -7.939 836 HH TYR 112 HH TYR 112 -1.901 10.396 -5.131 837 H TRP 113 HN TRP 113 -4.050 8.883 -11.559 838 HA TRP 113 HA TRP 113 -1.985 9.293 -13.605 839 HB2 TRP 113 HB2 TRP 113 -4.389 10.995 -12.786 840 HB3 TRP 113 HB1 TRP 113 -3.214 11.485 -13.999 841 HD1 TRP 113 HD1 TRP 113 -2.999 9.497 -16.116 842 HE1 TRP 113 HE1 TRP 113 -4.980 8.477 -17.398 843 HE3 TRP 113 HE3 TRP 113 -6.713 10.415 -12.729 844 HZ2 TRP 113 HZ2 TRP 113 -7.746 8.105 -17.026 845 HZ3 TRP 113 HZ3 TRP 113 -9.006 9.705 -13.270 846 HH2 TRP 113 HH2 TRP 113 -9.512 8.576 -15.378 847 H GLY 114 HN GLY 114 -0.665 11.193 -13.538 848 HA2 GLY 114 HA2 GLY 114 0.570 11.587 -10.995 849 HA3 GLY 114 HA1 GLY 114 1.026 12.331 -12.517 850 H GLN 115 HN GLN 115 1.320 13.788 -10.393 851 HA GLN 115 HA GLN 115 -0.870 15.293 -9.420 852 HB2 GLN 115 HB2 GLN 115 0.874 16.842 -8.533 853 HB3 GLN 115 HB1 GLN 115 1.225 15.153 -8.179 854 HG2 GLN 115 HG2 GLN 115 2.846 15.119 -10.074 855 HG3 GLN 115 HG1 GLN 115 2.516 16.824 -10.365 856 HE21 GLN 115 HE21 GLN 115 2.796 15.395 -7.146 857 HE22 GLN 115 HE22 GLN 115 4.280 16.168 -6.732 858 H GLY 116 HN GLY 116 0.892 15.515 -12.382 859 HA2 GLY 116 HA2 GLY 116 0.400 16.738 -14.267 860 HA3 GLY 116 HA1 GLY 116 -0.747 17.707 -13.352 861 H THR 117 HN THR 117 1.846 18.114 -15.149 862 HA THR 117 HA THR 117 3.042 20.230 -13.461 863 HB THR 117 HB THR 117 4.562 18.232 -13.665 864 HG1 THR 117 HG1 THR 117 5.645 20.067 -13.265 865 HG21 THR 117 HG21 THR 117 5.734 17.798 -15.791 866 HG22 THR 117 HG22 THR 117 4.736 18.999 -16.616 867 HG23 THR 117 HG23 THR 117 4.002 17.524 -15.979 868 H GLN 118 HN GLN 118 3.440 22.165 -14.446 869 HA GLN 118 HA GLN 118 1.938 22.725 -16.854 870 HB2 GLN 118 HB2 GLN 118 3.166 24.378 -14.664 871 HB3 GLN 118 HB1 GLN 118 2.926 25.175 -16.210 872 HG2 GLN 118 HG2 GLN 118 0.676 23.712 -14.800 873 HG3 GLN 118 HG1 GLN 118 1.056 25.407 -14.484 874 HE21 GLN 118 HE21 GLN 118 0.049 23.143 -17.001 875 HE22 GLN 118 HE22 GLN 118 -0.724 24.308 -18.010 876 H VAL 119 HN VAL 119 2.951 22.015 -18.650 877 HA VAL 119 HA VAL 119 5.637 23.064 -19.300 878 HB VAL 119 HB VAL 119 5.644 21.574 -21.239 879 HG11 VAL 119 HG11 VAL 119 4.768 20.067 -18.744 880 HG12 VAL 119 HG12 VAL 119 6.405 20.627 -19.097 881 HG13 VAL 119 HG13 VAL 119 5.667 19.377 -20.102 882 HG21 VAL 119 HG21 VAL 119 3.255 21.633 -21.866 883 HG22 VAL 119 HG22 VAL 119 2.841 20.686 -20.437 884 HG23 VAL 119 HG23 VAL 119 3.815 19.963 -21.719 885 H THR 120 HN THR 120 5.852 24.749 -20.685 886 HA THR 120 HA THR 120 3.521 25.700 -22.244 887 HB THR 120 HB THR 120 5.204 27.378 -20.326 888 HG1 THR 120 HG1 THR 120 2.825 26.091 -20.135 889 HG21 THR 120 HG21 THR 120 3.056 28.307 -22.270 890 HG22 THR 120 HG22 THR 120 4.770 28.729 -22.335 891 HG23 THR 120 HG23 THR 120 3.771 29.298 -20.996 892 H VAL 121 HN VAL 121 4.248 25.570 -24.319 893 HA VAL 121 HA VAL 121 7.091 26.080 -24.872 894 HB VAL 121 HB VAL 121 4.932 25.118 -26.788 895 HG11 VAL 121 HG11 VAL 121 6.839 24.441 -28.229 896 HG12 VAL 121 HG12 VAL 121 7.965 25.164 -27.076 897 HG13 VAL 121 HG13 VAL 121 6.822 26.185 -27.953 898 HG21 VAL 121 HG21 VAL 121 5.271 23.490 -24.964 899 HG22 VAL 121 HG22 VAL 121 7.012 23.498 -25.262 900 HG23 VAL 121 HG23 VAL 121 5.911 22.861 -26.487 901 H SER 122 HN SER 122 7.425 28.265 -24.805 902 HA SER 122 HA SER 122 5.925 30.308 -26.034 903 HB2 SER 122 HB2 SER 122 7.753 30.800 -24.509 904 HB3 SER 122 HB1 SER 122 8.927 30.042 -25.584 905 HG SER 122 HG SER 122 7.758 32.542 -25.688 906 H SER 123 HN SER 123 6.189 31.407 -28.038 907 HA SER 123 HA SER 123 7.159 29.853 -30.308 908 HB2 SER 123 HB2 SER 123 5.053 31.093 -30.551 909 HB3 SER 123 HB1 SER 123 5.861 32.611 -30.157 910 HG SER 123 HG SER 123 6.876 31.126 -32.295 911 H LEU 124 HN LEU 124 9.323 29.885 -29.238 912 HA LEU 124 HA LEU 124 11.531 30.262 -29.493 913 HB2 LEU 124 HB2 LEU 124 10.537 32.080 -31.693 914 HB3 LEU 124 HB1 LEU 124 12.244 32.045 -31.301 915 HG LEU 124 HG LEU 124 11.851 30.624 -33.208 916 HD11 LEU 124 HD11 LEU 124 12.804 28.507 -32.443 917 HD12 LEU 124 HD12 LEU 124 12.412 28.913 -30.771 918 HD13 LEU 124 HD13 LEU 124 13.583 29.884 -31.668 919 HD21 LEU 124 HD21 LEU 124 10.404 28.661 -33.192 920 HD22 LEU 124 HD22 LEU 124 9.475 30.126 -32.883 921 HD23 LEU 124 HD23 LEU 124 9.869 29.038 -31.550 922 H GLU 125 HN GLU 125 9.617 32.475 -28.002 923 HA GLU 125 HA GLU 125 11.309 34.796 -27.928 924 HB2 GLU 125 HB2 GLU 125 8.859 34.969 -27.655 925 HB3 GLU 125 HB1 GLU 125 8.947 34.048 -26.158 926 HG2 GLU 125 HG2 GLU 125 10.307 35.878 -25.146 927 HG3 GLU 125 HG1 GLU 125 10.146 36.796 -26.643 928 H HIS 126 HN HIS 126 10.397 32.413 -25.399 929 HA HIS 126 HA HIS 126 13.008 32.852 -24.071 930 HB2 HIS 126 HB2 HIS 126 10.327 32.566 -22.636 931 HB3 HIS 126 HB1 HIS 126 11.897 32.668 -21.848 932 HD1 HIS 126 HD1 HIS 126 12.935 35.126 -23.640 933 HD2 HIS 126 HD2 HIS 126 9.329 34.916 -21.582 934 HE1 HIS 126 HE1 HIS 126 12.248 37.508 -23.242 935 HE2 HIS 126 HE2 HIS 126 10.068 37.361 -21.995 936 H HIS 127 HN HIS 127 13.278 31.130 -22.327 937 HA HIS 127 HA HIS 127 12.080 28.506 -22.826 938 HB2 HIS 127 HB2 HIS 127 14.398 27.451 -22.721 939 HB3 HIS 127 HB1 HIS 127 14.072 28.339 -24.201 940 HD1 HIS 127 HD1 HIS 127 15.403 30.526 -24.602 941 HD2 HIS 127 HD2 HIS 127 16.465 28.520 -21.122 942 HE1 HIS 127 HE1 HIS 127 17.543 31.592 -23.843 943 HE2 HIS 127 HE2 HIS 127 18.265 30.241 -21.845 944 H HIS 128 HN HIS 128 11.394 30.198 -20.907 945 HA HIS 128 HA HIS 128 13.029 30.567 -18.661 946 HB2 HIS 128 HB2 HIS 128 11.134 32.052 -19.243 947 HB3 HIS 128 HB1 HIS 128 9.993 30.760 -18.883 948 HD1 HIS 128 HD1 HIS 128 12.350 33.176 -17.210 949 HD2 HIS 128 HD2 HIS 128 9.385 30.461 -16.156 950 HE1 HIS 128 HE1 HIS 128 11.901 33.581 -14.769 951 HE2 HIS 128 HE2 HIS 128 9.976 32.054 -14.208 952 H HIS 129 HN HIS 129 13.746 28.954 -17.418 953 HA HIS 129 HA HIS 129 11.872 26.953 -16.299 954 HB2 HIS 129 HB2 HIS 129 14.901 27.163 -15.935 955 HB3 HIS 129 HB1 HIS 129 13.876 25.820 -15.434 956 HD1 HIS 129 HD1 HIS 129 16.360 25.743 -17.448 957 HD2 HIS 129 HD2 HIS 129 12.331 25.594 -18.472 958 HE1 HIS 129 HE1 HIS 129 16.287 24.667 -19.715 959 HE2 HIS 129 HE2 HIS 129 13.864 24.779 -20.392 960 H HIS 130 HN HIS 130 12.057 26.651 -13.869 961 HA HIS 130 HA HIS 130 11.590 29.164 -12.546 962 HB2 HIS 130 HB2 HIS 130 10.281 27.094 -12.033 963 HB3 HIS 130 HB1 HIS 130 11.728 26.357 -11.356 964 HD1 HIS 130 HD1 HIS 130 11.955 26.622 -8.885 965 HD2 HIS 130 HD2 HIS 130 9.525 29.563 -10.518 966 HE1 HIS 130 HE1 HIS 130 11.055 27.911 -6.928 967 HE2 HIS 130 HE2 HIS 130 9.435 29.550 -7.939 968 H HIS 131 HN HIS 131 14.018 26.589 -12.271 969 HA HIS 131 HA HIS 131 16.119 28.334 -11.397 970 HB2 HIS 131 HB2 HIS 131 14.904 28.065 -9.241 971 HB3 HIS 131 HB1 HIS 131 14.999 26.314 -9.387 972 HD1 HIS 131 HD1 HIS 131 17.298 25.213 -8.925 973 HD2 HIS 131 HD2 HIS 131 17.241 29.327 -8.329 974 HE1 HIS 131 HE1 HIS 131 19.421 25.740 -7.701 975 HE2 HIS 131 HE2 HIS 131 19.470 28.252 -7.558 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 0.519 -1.378 -3.606 2 H2 MET 1 HT2 MET 1 1.200 0.162 -3.506 3 H3 MET 1 HT3 MET 1 0.456 -0.337 -4.935 4 HA MET 1 HA MET 1 -1.672 -0.418 -3.882 5 HB2 MET 1 HB2 MET 1 -0.226 0.604 -1.401 6 HB3 MET 1 HB1 MET 1 -1.966 0.411 -1.558 7 HG2 MET 1 HG2 MET 1 -1.686 -2.013 -1.760 8 HG3 MET 1 HG1 MET 1 0.065 -1.829 -1.626 9 HE1 MET 1 HE1 MET 1 0.136 0.588 0.631 10 HE2 MET 1 HE2 MET 1 1.245 -0.786 0.651 11 HE3 MET 1 HE3 MET 1 0.317 -0.374 2.095 12 H GLN 2 HN GLN 2 0.190 2.187 -2.345 13 HA GLN 2 HA GLN 2 -1.336 4.236 -3.756 14 HB2 GLN 2 HB2 GLN 2 0.777 4.445 -1.559 15 HB3 GLN 2 HB1 GLN 2 -0.191 5.787 -2.169 16 HG2 GLN 2 HG2 GLN 2 -2.224 4.744 -1.315 17 HG3 GLN 2 HG1 GLN 2 -1.310 3.336 -0.779 18 HE21 GLN 2 HE21 GLN 2 -2.987 5.224 0.760 19 HE22 GLN 2 HE22 GLN 2 -1.960 5.840 2.006 20 H LEU 3 HN LEU 3 -0.333 3.495 -5.807 21 HA LEU 3 HA LEU 3 2.468 3.880 -6.302 22 HB2 LEU 3 HB2 LEU 3 0.876 2.290 -7.566 23 HB3 LEU 3 HB1 LEU 3 0.250 3.699 -8.387 24 HG LEU 3 HG LEU 3 1.884 2.343 -9.727 25 HD11 LEU 3 HD11 LEU 3 1.508 4.681 -10.318 26 HD12 LEU 3 HD12 LEU 3 3.151 4.162 -10.680 27 HD13 LEU 3 HD13 LEU 3 2.836 5.173 -9.264 28 HD21 LEU 3 HD21 LEU 3 3.940 3.324 -7.739 29 HD22 LEU 3 HD22 LEU 3 4.268 2.438 -9.233 30 HD23 LEU 3 HD23 LEU 3 3.374 1.663 -7.929 31 H GLN 4 HN GLN 4 3.331 5.812 -6.307 32 HA GLN 4 HA GLN 4 1.823 8.227 -7.096 33 HB2 GLN 4 HB2 GLN 4 4.310 7.926 -5.341 34 HB3 GLN 4 HB1 GLN 4 3.496 9.452 -5.700 35 HG2 GLN 4 HG2 GLN 4 1.517 8.738 -4.497 36 HG3 GLN 4 HG1 GLN 4 2.186 7.122 -4.270 37 HE21 GLN 4 HE21 GLN 4 1.279 9.211 -2.336 38 HE22 GLN 4 HE22 GLN 4 2.598 9.402 -1.241 39 H LEU 5 HN LEU 5 2.748 9.644 -8.555 40 HA LEU 5 HA LEU 5 5.244 8.841 -9.932 41 HB2 LEU 5 HB2 LEU 5 2.652 9.884 -11.147 42 HB3 LEU 5 HB1 LEU 5 4.161 9.766 -12.037 43 HG LEU 5 HG LEU 5 2.700 7.385 -10.819 44 HD11 LEU 5 HD11 LEU 5 2.722 8.276 -13.715 45 HD12 LEU 5 HD12 LEU 5 1.350 8.333 -12.607 46 HD13 LEU 5 HD13 LEU 5 2.021 6.779 -13.089 47 HD21 LEU 5 HD21 LEU 5 5.066 7.467 -12.725 48 HD22 LEU 5 HD22 LEU 5 4.221 6.010 -12.186 49 HD23 LEU 5 HD23 LEU 5 5.102 6.995 -11.023 50 H VAL 6 HN VAL 6 6.670 10.295 -9.342 51 HA VAL 6 HA VAL 6 5.955 13.071 -8.654 52 HB VAL 6 HB VAL 6 8.583 11.559 -8.184 53 HG11 VAL 6 HG11 VAL 6 8.932 13.996 -8.290 54 HG12 VAL 6 HG12 VAL 6 9.150 13.423 -6.636 55 HG13 VAL 6 HG13 VAL 6 7.661 14.252 -7.091 56 HG21 VAL 6 HG21 VAL 6 7.881 11.384 -5.811 57 HG22 VAL 6 HG22 VAL 6 6.764 10.536 -6.883 58 HG23 VAL 6 HG23 VAL 6 6.324 12.112 -6.220 59 H GLU 7 HN GLU 7 6.087 14.402 -10.366 60 HA GLU 7 HA GLU 7 7.866 13.729 -12.623 61 HB2 GLU 7 HB2 GLU 7 5.430 15.562 -12.588 62 HB3 GLU 7 HB1 GLU 7 6.332 15.026 -14.008 63 HG2 GLU 7 HG2 GLU 7 5.666 12.680 -13.489 64 HG3 GLU 7 HG1 GLU 7 4.673 13.281 -12.164 65 H SER 8 HN SER 8 8.961 15.378 -13.748 66 HA SER 8 HA SER 8 9.244 18.065 -12.723 67 HB2 SER 8 HB2 SER 8 11.687 17.881 -12.277 68 HB3 SER 8 HB1 SER 8 10.778 16.820 -11.200 69 HG SER 8 HG SER 8 11.315 15.080 -12.538 70 H GLY 9 HN GLY 9 10.597 19.367 -14.159 71 HA2 GLY 9 HA2 GLY 9 11.942 19.578 -16.160 72 HA3 GLY 9 HA1 GLY 9 11.104 18.194 -16.844 73 H GLY 10 HN GLY 10 8.745 19.917 -15.317 74 HA2 GLY 10 HA2 GLY 10 7.579 20.931 -17.736 75 HA3 GLY 10 HA1 GLY 10 6.951 21.127 -16.110 76 H GLY 11 HN GLY 11 9.169 22.416 -18.500 77 HA2 GLY 11 HA2 GLY 11 9.346 25.005 -17.034 78 HA3 GLY 11 HA1 GLY 11 10.607 24.373 -18.082 79 H LEU 12 HN LEU 12 9.903 26.830 -18.617 80 HA LEU 12 HA LEU 12 7.971 26.861 -20.800 81 HB2 LEU 12 HB2 LEU 12 8.082 28.727 -19.107 82 HB3 LEU 12 HB1 LEU 12 9.658 29.125 -19.739 83 HG LEU 12 HG LEU 12 7.270 29.166 -21.584 84 HD11 LEU 12 HD11 LEU 12 6.925 31.556 -21.092 85 HD12 LEU 12 HD12 LEU 12 8.088 31.455 -19.768 86 HD13 LEU 12 HD13 LEU 12 6.582 30.536 -19.695 87 HD21 LEU 12 HD21 LEU 12 9.895 30.697 -21.611 88 HD22 LEU 12 HD22 LEU 12 8.575 30.925 -22.759 89 HD23 LEU 12 HD23 LEU 12 9.420 29.383 -22.690 90 H VAL 13 HN VAL 13 8.700 26.090 -22.644 91 HA VAL 13 HA VAL 13 11.342 26.970 -23.663 92 HB VAL 13 HB VAL 13 11.237 25.077 -25.264 93 HG11 VAL 13 HG11 VAL 13 10.903 24.153 -22.385 94 HG12 VAL 13 HG12 VAL 13 12.403 24.704 -23.131 95 HG13 VAL 13 HG13 VAL 13 11.644 23.209 -23.684 96 HG21 VAL 13 HG21 VAL 13 8.797 24.849 -25.484 97 HG22 VAL 13 HG22 VAL 13 8.687 24.246 -23.829 98 HG23 VAL 13 HG23 VAL 13 9.525 23.298 -25.059 99 H GLN 14 HN GLN 14 11.227 27.230 -26.124 100 HA GLN 14 HA GLN 14 8.895 28.856 -26.844 101 HB2 GLN 14 HB2 GLN 14 10.236 29.828 -28.582 102 HB3 GLN 14 HB1 GLN 14 11.234 29.787 -27.141 103 HG2 GLN 14 HG2 GLN 14 11.428 27.841 -29.460 104 HG3 GLN 14 HG1 GLN 14 12.471 29.239 -29.220 105 HE21 GLN 14 HE21 GLN 14 13.179 26.414 -29.418 106 HE22 GLN 14 HE22 GLN 14 14.024 26.031 -27.963 107 H ALA 15 HN ALA 15 7.911 28.593 -28.952 108 HA ALA 15 HA ALA 15 7.142 25.973 -29.624 109 HB1 ALA 15 HB1 ALA 15 6.857 28.503 -31.286 110 HB2 ALA 15 HB2 ALA 15 5.734 27.967 -30.036 111 HB3 ALA 15 HB3 ALA 15 5.943 27.003 -31.501 112 H GLY 16 HN GLY 16 8.305 24.484 -30.653 113 HA2 GLY 16 HA2 GLY 16 9.352 23.715 -32.712 114 HA3 GLY 16 HA1 GLY 16 10.251 25.228 -32.782 115 H GLY 17 HN GLY 17 10.521 24.932 -29.733 116 HA2 GLY 17 HA2 GLY 17 13.083 23.615 -29.724 117 HA3 GLY 17 HA1 GLY 17 12.284 24.395 -28.369 118 H SER 18 HN SER 18 13.605 22.217 -27.793 119 HA SER 18 HA SER 18 11.694 19.971 -27.586 120 HB2 SER 18 HB2 SER 18 13.790 18.621 -27.094 121 HB3 SER 18 HB1 SER 18 13.732 19.317 -28.712 122 HG SER 18 HG SER 18 15.542 20.244 -28.253 123 H LEU 19 HN LEU 19 11.866 18.716 -25.534 124 HA LEU 19 HA LEU 19 12.913 19.965 -23.148 125 HB2 LEU 19 HB2 LEU 19 10.728 21.170 -23.497 126 HB3 LEU 19 HB1 LEU 19 9.895 19.629 -23.443 127 HG LEU 19 HG LEU 19 10.598 19.340 -21.069 128 HD11 LEU 19 HD11 LEU 19 11.582 21.204 -19.816 129 HD12 LEU 19 HD12 LEU 19 11.780 22.118 -21.313 130 HD13 LEU 19 HD13 LEU 19 12.669 20.612 -21.071 131 HD21 LEU 19 HD21 LEU 19 9.096 21.029 -20.094 132 HD22 LEU 19 HD22 LEU 19 8.411 20.322 -21.557 133 HD23 LEU 19 HD23 LEU 19 9.122 21.939 -21.609 134 H ARG 20 HN ARG 20 13.227 18.417 -21.542 135 HA ARG 20 HA ARG 20 12.299 15.660 -22.129 136 HB2 ARG 20 HB2 ARG 20 14.762 15.912 -22.323 137 HB3 ARG 20 HB1 ARG 20 14.839 16.496 -20.663 138 HG2 ARG 20 HG2 ARG 20 14.046 14.313 -19.836 139 HG3 ARG 20 HG1 ARG 20 13.888 13.729 -21.495 140 HD2 ARG 20 HD2 ARG 20 16.485 14.568 -20.156 141 HD3 ARG 20 HD1 ARG 20 15.956 12.901 -20.415 142 HE ARG 20 HE ARG 20 15.904 13.963 -22.912 143 HH11 ARG 20 HH11 ARG 20 18.451 13.868 -20.481 144 HH12 ARG 20 HH12 ARG 20 19.721 13.795 -21.659 145 HH21 ARG 20 HH21 ARG 20 17.555 13.878 -24.423 146 HH22 ARG 20 HH22 ARG 20 19.210 13.798 -23.904 147 H LEU 21 HN LEU 21 10.683 15.166 -20.865 148 HA LEU 21 HA LEU 21 10.416 16.114 -18.130 149 HB2 LEU 21 HB2 LEU 21 8.656 14.392 -19.926 150 HB3 LEU 21 HB1 LEU 21 8.289 14.646 -18.231 151 HG LEU 21 HG LEU 21 6.919 16.109 -19.599 152 HD11 LEU 21 HD11 LEU 21 7.401 18.255 -18.575 153 HD12 LEU 21 HD12 LEU 21 9.021 17.708 -18.137 154 HD13 LEU 21 HD13 LEU 21 7.602 16.937 -17.422 155 HD21 LEU 21 HD21 LEU 21 7.838 17.877 -21.017 156 HD22 LEU 21 HD22 LEU 21 8.326 16.282 -21.585 157 HD23 LEU 21 HD23 LEU 21 9.478 17.293 -20.708 158 H SER 22 HN SER 22 10.347 14.725 -16.341 159 HA SER 22 HA SER 22 11.319 11.978 -16.576 160 HB2 SER 22 HB2 SER 22 13.094 12.500 -14.805 161 HB3 SER 22 HB1 SER 22 13.414 13.160 -16.407 162 HG SER 22 HG SER 22 11.989 14.885 -14.821 163 H CYS 23 HN CYS 23 10.245 10.741 -15.189 164 HA CYS 23 HA CYS 23 9.035 11.857 -12.748 165 HB2 CYS 23 HB2 CYS 23 7.239 11.801 -14.412 166 HB3 CYS 23 HB1 CYS 23 7.620 10.130 -14.821 167 HG CYS 23 HG CYS 23 5.710 9.326 -13.298 168 H VAL 24 HN VAL 24 9.412 10.568 -11.011 169 HA VAL 24 HA VAL 24 10.412 7.817 -11.465 170 HB VAL 24 HB VAL 24 10.643 9.346 -8.839 171 HG11 VAL 24 HG11 VAL 24 12.505 7.756 -8.411 172 HG12 VAL 24 HG12 VAL 24 12.210 6.993 -9.975 173 HG13 VAL 24 HG13 VAL 24 10.984 6.910 -8.707 174 HG21 VAL 24 HG21 VAL 24 12.948 9.991 -9.451 175 HG22 VAL 24 HG22 VAL 24 11.772 10.731 -10.540 176 HG23 VAL 24 HG23 VAL 24 12.711 9.333 -11.072 177 H ALA 25 HN ALA 25 9.461 6.084 -10.295 178 HA ALA 25 HA ALA 25 6.669 6.502 -9.547 179 HB1 ALA 25 HB1 ALA 25 6.552 4.033 -9.533 180 HB2 ALA 25 HB2 ALA 25 8.297 3.942 -9.797 181 HB3 ALA 25 HB3 ALA 25 7.249 4.633 -11.037 182 H SER 26 HN SER 26 6.699 7.510 -7.603 183 HA SER 26 HA SER 26 6.589 7.776 -5.370 184 HB2 SER 26 HB2 SER 26 5.138 5.774 -5.712 185 HB3 SER 26 HB1 SER 26 6.511 4.730 -5.371 186 HG SER 26 HG SER 26 6.589 5.765 -3.269 187 H GLY 27 HN GLY 27 9.176 8.001 -6.307 188 HA2 GLY 27 HA2 GLY 27 11.234 8.414 -5.285 189 HA3 GLY 27 HA1 GLY 27 10.783 7.366 -3.942 190 H ARG 28 HN ARG 28 10.433 4.983 -4.707 191 HA ARG 28 HA ARG 28 11.687 3.978 -7.055 192 HB2 ARG 28 HB2 ARG 28 13.358 4.084 -4.585 193 HB3 ARG 28 HB1 ARG 28 13.296 2.486 -5.310 194 HG2 ARG 28 HG2 ARG 28 14.161 3.370 -7.429 195 HG3 ARG 28 HG1 ARG 28 14.149 5.008 -6.774 196 HD2 ARG 28 HD2 ARG 28 15.851 2.702 -5.765 197 HD3 ARG 28 HD1 ARG 28 16.415 4.055 -6.749 198 HE ARG 28 HE ARG 28 15.464 5.410 -4.710 199 HH11 ARG 28 HH11 ARG 28 17.333 2.435 -4.524 200 HH12 ARG 28 HH12 ARG 28 18.064 2.868 -3.012 201 HH21 ARG 28 HH21 ARG 28 16.397 5.919 -2.712 202 HH22 ARG 28 HH22 ARG 28 17.528 4.826 -1.984 203 H THR 29 HN THR 29 9.153 3.823 -5.685 204 HA THR 29 HA THR 29 8.939 0.895 -5.239 205 HB THR 29 HB THR 29 7.242 3.115 -4.006 206 HG1 THR 29 HG1 THR 29 9.247 1.358 -3.028 207 HG21 THR 29 HG21 THR 29 5.839 1.129 -4.503 208 HG22 THR 29 HG22 THR 29 6.087 1.316 -2.765 209 HG23 THR 29 HG23 THR 29 6.996 0.097 -3.661 210 H PHE 30 HN PHE 30 7.869 -0.130 -6.780 211 HA PHE 30 HA PHE 30 5.802 1.227 -8.395 212 HB2 PHE 30 HB2 PHE 30 6.723 0.353 -10.467 213 HB3 PHE 30 HB1 PHE 30 8.015 1.197 -9.626 214 HD1 PHE 30 HD1 PHE 30 9.680 -0.231 -8.245 215 HD2 PHE 30 HD2 PHE 30 7.045 -1.899 -11.170 216 HE1 PHE 30 HE1 PHE 30 11.081 -2.242 -8.367 217 HE2 PHE 30 HE2 PHE 30 8.453 -3.910 -11.287 218 HZ PHE 30 HZ PHE 30 10.471 -4.083 -9.883 219 H ARG 31 HN ARG 31 4.137 -0.077 -9.090 220 HA ARG 31 HA ARG 31 4.367 -2.850 -9.523 221 HB2 ARG 31 HB2 ARG 31 3.143 -2.098 -6.923 222 HB3 ARG 31 HB1 ARG 31 2.104 -3.130 -7.894 223 HG2 ARG 31 HG2 ARG 31 3.880 -4.826 -8.035 224 HG3 ARG 31 HG1 ARG 31 4.968 -3.780 -7.125 225 HD2 ARG 31 HD2 ARG 31 3.478 -3.931 -5.164 226 HD3 ARG 31 HD1 ARG 31 2.386 -4.980 -6.072 227 HE ARG 31 HE ARG 31 3.875 -6.741 -5.849 228 HH11 ARG 31 HH11 ARG 31 5.428 -3.813 -4.624 229 HH12 ARG 31 HH12 ARG 31 6.707 -4.683 -3.840 230 HH21 ARG 31 HH21 ARG 31 5.575 -7.850 -4.813 231 HH22 ARG 31 HH22 ARG 31 6.793 -6.959 -3.960 232 H SER 32 HN SER 32 4.008 -1.677 -11.441 233 HA SER 32 HA SER 32 1.213 -1.689 -12.264 234 HB2 SER 32 HB2 SER 32 3.047 0.716 -12.748 235 HB3 SER 32 HB1 SER 32 1.427 0.510 -13.422 236 HG SER 32 HG SER 32 0.975 0.228 -10.948 237 H ASN 33 HN ASN 33 1.071 -2.600 -14.305 238 HA ASN 33 HA ASN 33 3.498 -3.846 -15.262 239 HB2 ASN 33 HB2 ASN 33 0.585 -4.189 -16.034 240 HB3 ASN 33 HB1 ASN 33 1.901 -5.084 -16.798 241 HD21 ASN 33 HD21 ASN 33 3.057 -6.617 -15.570 242 HD22 ASN 33 HD22 ASN 33 2.429 -7.262 -14.097 243 H ALA 34 HN ALA 34 1.043 -1.623 -16.680 244 HA ALA 34 HA ALA 34 3.086 -0.874 -18.706 245 HB1 ALA 34 HB1 ALA 34 0.075 -0.582 -18.964 246 HB2 ALA 34 HB2 ALA 34 1.054 -1.825 -19.744 247 HB3 ALA 34 HB3 ALA 34 1.281 -0.129 -20.174 248 H MET 35 HN MET 35 2.769 1.438 -19.470 249 HA MET 35 HA MET 35 1.828 3.383 -17.518 250 HB2 MET 35 HB2 MET 35 4.784 3.088 -18.225 251 HB3 MET 35 HB1 MET 35 4.122 4.608 -17.638 252 HG2 MET 35 HG2 MET 35 3.495 3.552 -15.527 253 HG3 MET 35 HG1 MET 35 4.061 1.990 -16.118 254 HE1 MET 35 HE1 MET 35 5.472 1.846 -13.773 255 HE2 MET 35 HE2 MET 35 4.936 3.467 -13.328 256 HE3 MET 35 HE3 MET 35 6.653 3.067 -13.297 257 H GLY 36 HN GLY 36 2.090 5.664 -18.453 258 HA2 GLY 36 HA2 GLY 36 2.353 5.859 -21.360 259 HA3 GLY 36 HA1 GLY 36 0.718 6.075 -20.738 260 H TRP 37 HN TRP 37 1.358 8.178 -21.976 261 HA TRP 37 HA TRP 37 1.825 10.225 -19.933 262 HB2 TRP 37 HB2 TRP 37 3.311 10.160 -22.608 263 HB3 TRP 37 HB1 TRP 37 3.147 11.620 -21.643 264 HD1 TRP 37 HD1 TRP 37 4.933 8.223 -21.626 265 HE1 TRP 37 HE1 TRP 37 6.921 8.344 -20.003 266 HE3 TRP 37 HE3 TRP 37 4.010 12.807 -19.533 267 HZ2 TRP 37 HZ2 TRP 37 7.961 10.117 -18.075 268 HZ3 TRP 37 HZ3 TRP 37 5.551 13.641 -17.794 269 HH2 TRP 37 HH2 TRP 37 7.489 12.322 -17.079 270 H PHE 38 HN PHE 38 0.046 11.391 -19.957 271 HA PHE 38 HA PHE 38 -1.400 12.006 -22.469 272 HB2 PHE 38 HB2 PHE 38 -2.388 12.054 -19.572 273 HB3 PHE 38 HB1 PHE 38 -3.343 12.557 -20.958 274 HD1 PHE 38 HD1 PHE 38 -1.587 9.573 -19.509 275 HD2 PHE 38 HD2 PHE 38 -4.714 10.988 -22.063 276 HE1 PHE 38 HE1 PHE 38 -2.460 7.286 -19.724 277 HE2 PHE 38 HE2 PHE 38 -5.570 8.697 -22.273 278 HZ PHE 38 HZ PHE 38 -4.445 6.843 -21.107 279 H ARG 39 HN ARG 39 -2.211 14.227 -22.628 280 HA ARG 39 HA ARG 39 -0.961 16.202 -20.801 281 HB2 ARG 39 HB2 ARG 39 -0.955 17.858 -22.584 282 HB3 ARG 39 HB1 ARG 39 -0.036 16.445 -23.072 283 HG2 ARG 39 HG2 ARG 39 -1.909 15.716 -24.512 284 HG3 ARG 39 HG1 ARG 39 -2.836 17.134 -24.010 285 HD2 ARG 39 HD2 ARG 39 -1.104 18.611 -24.984 286 HD3 ARG 39 HD1 ARG 39 -0.182 17.191 -25.489 287 HE ARG 39 HE ARG 39 -2.638 16.827 -26.630 288 HH11 ARG 39 HH11 ARG 39 -0.160 19.344 -26.861 289 HH12 ARG 39 HH12 ARG 39 -0.734 19.895 -28.407 290 HH21 ARG 39 HH21 ARG 39 -3.317 17.528 -28.647 291 HH22 ARG 39 HH22 ARG 39 -2.524 18.866 -29.419 292 H GLN 40 HN GLN 40 -2.333 17.579 -19.826 293 HA GLN 40 HA GLN 40 -5.223 17.273 -20.381 294 HB2 GLN 40 HB2 GLN 40 -4.092 16.610 -18.065 295 HB3 GLN 40 HB1 GLN 40 -4.097 18.339 -17.766 296 HG2 GLN 40 HG2 GLN 40 -6.551 16.668 -18.383 297 HG3 GLN 40 HG1 GLN 40 -6.023 17.114 -16.764 298 HE21 GLN 40 HE21 GLN 40 -8.495 17.704 -18.323 299 HE22 GLN 40 HE22 GLN 40 -8.669 19.416 -18.279 300 H ALA 41 HN ALA 41 -6.241 19.042 -21.080 301 HA ALA 41 HA ALA 41 -4.820 21.635 -21.138 302 HB1 ALA 41 HB1 ALA 41 -6.133 22.126 -23.182 303 HB2 ALA 41 HB2 ALA 41 -6.883 20.531 -23.084 304 HB3 ALA 41 HB3 ALA 41 -5.150 20.675 -23.372 305 HA PRO 42 HA PRO 42 -7.973 23.198 -18.384 306 HB2 PRO 42 HB2 PRO 42 -8.027 25.875 -19.139 307 HB3 PRO 42 HB1 PRO 42 -6.786 25.156 -18.105 308 HG2 PRO 42 HG2 PRO 42 -6.706 25.682 -21.072 309 HG3 PRO 42 HG1 PRO 42 -5.455 25.996 -19.851 310 HD2 PRO 42 HD2 PRO 42 -5.306 23.842 -21.451 311 HD3 PRO 42 HD1 PRO 42 -4.814 23.738 -19.743 312 H GLY 43 HN GLY 43 -9.997 22.534 -18.684 313 HA2 GLY 43 HA2 GLY 43 -12.252 22.819 -19.245 314 HA3 GLY 43 HA1 GLY 43 -11.798 23.903 -20.548 315 H LYS 44 HN LYS 44 -9.849 21.272 -20.799 316 HA LYS 44 HA LYS 44 -11.638 19.747 -22.605 317 HB2 LYS 44 HB2 LYS 44 -8.639 20.262 -22.868 318 HB3 LYS 44 HB1 LYS 44 -9.558 19.186 -23.908 319 HG2 LYS 44 HG2 LYS 44 -10.221 22.137 -23.713 320 HG3 LYS 44 HG1 LYS 44 -8.956 21.548 -24.786 321 HD2 LYS 44 HD2 LYS 44 -10.912 21.776 -26.138 322 HD3 LYS 44 HD1 LYS 44 -10.707 20.047 -25.870 323 HE2 LYS 44 HE2 LYS 44 -12.479 20.118 -24.146 324 HE3 LYS 44 HE1 LYS 44 -12.675 21.845 -24.403 325 HZ1 LYS 44 HZ1 LYS 44 -14.357 20.638 -25.572 326 HZ2 LYS 44 HZ2 LYS 44 -13.210 19.685 -26.368 327 HZ3 LYS 44 HZ3 LYS 44 -13.316 21.342 -26.706 328 H GLU 45 HN GLU 45 -10.688 17.447 -22.909 329 HA GLU 45 HA GLU 45 -10.178 16.267 -20.280 330 HB2 GLU 45 HB2 GLU 45 -10.535 14.105 -21.351 331 HB3 GLU 45 HB1 GLU 45 -11.832 15.199 -21.809 332 HG2 GLU 45 HG2 GLU 45 -10.865 15.511 -24.010 333 HG3 GLU 45 HG1 GLU 45 -9.436 14.586 -23.557 334 H ARG 46 HN ARG 46 -8.451 14.619 -20.022 335 HA ARG 46 HA ARG 46 -5.925 15.389 -21.087 336 HB2 ARG 46 HB2 ARG 46 -4.911 13.621 -19.820 337 HB3 ARG 46 HB1 ARG 46 -6.128 14.381 -18.819 338 HG2 ARG 46 HG2 ARG 46 -6.418 11.695 -20.196 339 HG3 ARG 46 HG1 ARG 46 -5.951 11.930 -18.517 340 HD2 ARG 46 HD2 ARG 46 -8.187 11.475 -18.223 341 HD3 ARG 46 HD1 ARG 46 -8.302 13.224 -18.427 342 HE ARG 46 HE ARG 46 -8.533 12.071 -20.963 343 HH11 ARG 46 HH11 ARG 46 -10.423 12.182 -17.996 344 HH12 ARG 46 HH12 ARG 46 -11.906 11.770 -18.785 345 HH21 ARG 46 HH21 ARG 46 -10.486 11.519 -21.976 346 HH22 ARG 46 HH22 ARG 46 -11.944 11.388 -21.041 347 H GLU 47 HN GLU 47 -5.215 15.002 -23.021 348 HA GLU 47 HA GLU 47 -6.388 12.971 -24.756 349 HB2 GLU 47 HB2 GLU 47 -6.168 15.313 -25.573 350 HB3 GLU 47 HB1 GLU 47 -4.426 15.234 -25.336 351 HG2 GLU 47 HG2 GLU 47 -4.355 13.371 -27.040 352 HG3 GLU 47 HG1 GLU 47 -6.066 13.661 -27.347 353 H PHE 48 HN PHE 48 -5.203 11.311 -25.694 354 HA PHE 48 HA PHE 48 -2.889 10.387 -24.237 355 HB2 PHE 48 HB2 PHE 48 -4.965 9.070 -25.456 356 HB3 PHE 48 HB1 PHE 48 -3.748 8.914 -26.711 357 HD1 PHE 48 HD1 PHE 48 -5.086 6.665 -25.071 358 HD2 PHE 48 HD2 PHE 48 -1.384 8.758 -24.572 359 HE1 PHE 48 HE1 PHE 48 -4.153 4.739 -23.858 360 HE2 PHE 48 HE2 PHE 48 -0.470 6.832 -23.366 361 HZ PHE 48 HZ PHE 48 -1.847 4.821 -23.003 362 H VAL 49 HN VAL 49 -0.883 10.963 -24.719 363 HA VAL 49 HA VAL 49 -0.209 12.173 -27.323 364 HB VAL 49 HB VAL 49 1.431 12.145 -24.733 365 HG11 VAL 49 HG11 VAL 49 2.729 13.999 -25.775 366 HG12 VAL 49 HG12 VAL 49 1.799 13.817 -27.264 367 HG13 VAL 49 HG13 VAL 49 2.852 12.511 -26.718 368 HG21 VAL 49 HG21 VAL 49 -0.384 14.330 -25.833 369 HG22 VAL 49 HG22 VAL 49 0.651 14.477 -24.411 370 HG23 VAL 49 HG23 VAL 49 -0.697 13.339 -24.405 371 H ALA 50 HN ALA 50 1.241 9.967 -24.948 372 HA ALA 50 HA ALA 50 2.366 8.216 -26.990 373 HB1 ALA 50 HB1 ALA 50 4.130 9.715 -25.003 374 HB2 ALA 50 HB2 ALA 50 4.078 9.989 -26.745 375 HB3 ALA 50 HB3 ALA 50 4.672 8.452 -26.116 376 H ALA 51 HN ALA 51 3.410 6.253 -25.905 377 HA ALA 51 HA ALA 51 2.661 5.718 -23.156 378 HB1 ALA 51 HB1 ALA 51 1.097 3.896 -23.593 379 HB2 ALA 51 HB2 ALA 51 1.218 4.163 -25.334 380 HB3 ALA 51 HB3 ALA 51 0.489 5.390 -24.304 381 H ILE 52 HN ILE 52 3.093 3.505 -22.529 382 HA ILE 52 HA ILE 52 5.581 2.512 -23.766 383 HB ILE 52 HB ILE 52 4.597 2.507 -20.875 384 HG12 ILE 52 HG12 ILE 52 7.068 3.830 -22.079 385 HG13 ILE 52 HG11 ILE 52 5.539 4.663 -21.829 386 HG21 ILE 52 HG21 ILE 52 5.755 0.379 -21.271 387 HG22 ILE 52 HG22 ILE 52 6.721 1.425 -20.230 388 HG23 ILE 52 HG23 ILE 52 7.149 1.241 -21.929 389 HD11 ILE 52 HD11 ILE 52 7.186 3.438 -19.623 390 HD12 ILE 52 HD12 ILE 52 5.745 4.441 -19.454 391 HD13 ILE 52 HD13 ILE 52 7.227 5.130 -20.107 392 H ARG 53 HN ARG 53 5.254 0.709 -24.867 393 HA ARG 53 HA ARG 53 3.028 -1.004 -24.688 394 HB2 ARG 53 HB2 ARG 53 4.439 -0.870 -26.726 395 HB3 ARG 53 HB1 ARG 53 5.792 -1.577 -25.851 396 HG2 ARG 53 HG2 ARG 53 4.766 -3.278 -27.252 397 HG3 ARG 53 HG1 ARG 53 4.485 -3.682 -25.557 398 HD2 ARG 53 HD2 ARG 53 2.189 -2.623 -25.791 399 HD3 ARG 53 HD1 ARG 53 2.506 -2.482 -27.525 400 HE ARG 53 HE ARG 53 2.806 -5.146 -26.398 401 HH11 ARG 53 HH11 ARG 53 0.675 -2.970 -28.158 402 HH12 ARG 53 HH12 ARG 53 -0.435 -4.230 -28.592 403 HH21 ARG 53 HH21 ARG 53 1.339 -6.773 -26.988 404 HH22 ARG 53 HH22 ARG 53 -0.056 -6.375 -27.935 405 H TRP 54 HN TRP 54 2.640 -1.706 -22.689 406 HA TRP 54 HA TRP 54 2.716 -2.688 -20.697 407 HB2 TRP 54 HB2 TRP 54 2.826 -4.671 -22.300 408 HB3 TRP 54 HB1 TRP 54 4.554 -4.746 -21.978 409 HD1 TRP 54 HD1 TRP 54 1.197 -5.009 -20.003 410 HE1 TRP 54 HE1 TRP 54 1.542 -6.644 -18.053 411 HE3 TRP 54 HE3 TRP 54 6.189 -5.962 -20.616 412 HZ2 TRP 54 HZ2 TRP 54 3.655 -8.135 -16.910 413 HZ3 TRP 54 HZ3 TRP 54 7.297 -7.503 -19.050 414 HH2 TRP 54 HH2 TRP 54 6.053 -8.567 -17.236 415 H SER 55 HN SER 55 5.995 -3.956 -21.098 416 HA SER 55 HA SER 55 7.218 -1.763 -19.623 417 HB2 SER 55 HB2 SER 55 6.129 -3.165 -17.817 418 HB3 SER 55 HB1 SER 55 7.103 -4.538 -18.332 419 HG SER 55 HG SER 55 7.919 -3.227 -16.520 420 H GLY 56 HN GLY 56 8.921 -1.485 -20.921 421 HA2 GLY 56 HA2 GLY 56 11.167 -2.127 -21.522 422 HA3 GLY 56 HA1 GLY 56 10.621 -3.789 -21.720 423 H GLY 57 HN GLY 57 8.122 -2.678 -23.133 424 HA2 GLY 57 HA2 GLY 57 9.064 -2.611 -25.848 425 HA3 GLY 57 HA1 GLY 57 7.419 -2.296 -25.307 426 H SER 58 HN SER 58 7.166 -0.178 -24.093 427 HA SER 58 HA SER 58 7.252 2.040 -23.847 428 HB2 SER 58 HB2 SER 58 9.367 1.329 -22.688 429 HB3 SER 58 HB1 SER 58 10.264 1.733 -24.153 430 HG SER 58 HG SER 58 9.622 3.865 -23.912 431 H THR 59 HN THR 59 6.175 1.963 -26.094 432 HA THR 59 HA THR 59 7.163 4.043 -27.743 433 HB THR 59 HB THR 59 7.065 2.285 -29.871 434 HG1 THR 59 HG1 THR 59 8.532 0.837 -27.916 435 HG21 THR 59 HG21 THR 59 9.513 2.383 -30.018 436 HG22 THR 59 HG22 THR 59 9.610 2.925 -28.342 437 HG23 THR 59 HG23 THR 59 8.856 3.957 -29.559 438 H TYR 60 HN TYR 60 5.376 5.029 -28.144 439 HA TYR 60 HA TYR 60 3.272 4.121 -29.802 440 HB2 TYR 60 HB2 TYR 60 2.626 4.430 -26.842 441 HB3 TYR 60 HB1 TYR 60 1.426 4.888 -28.036 442 HD1 TYR 60 HD1 TYR 60 1.106 2.944 -29.956 443 HD2 TYR 60 HD2 TYR 60 2.316 2.287 -25.899 444 HE1 TYR 60 HE1 TYR 60 0.260 0.640 -30.069 445 HE2 TYR 60 HE2 TYR 60 1.470 -0.023 -26.032 446 HH TYR 60 HH TYR 60 -0.282 -1.249 -27.386 447 H TYR 61 HN TYR 61 2.732 5.928 -30.924 448 HA TYR 61 HA TYR 61 2.441 8.534 -29.805 449 HB2 TYR 61 HB2 TYR 61 4.333 9.426 -31.579 450 HB3 TYR 61 HB1 TYR 61 4.685 9.109 -29.889 451 HD1 TYR 61 HD1 TYR 61 4.667 7.292 -33.193 452 HD2 TYR 61 HD2 TYR 61 6.555 7.756 -29.386 453 HE1 TYR 61 HE1 TYR 61 6.383 5.654 -33.840 454 HE2 TYR 61 HE2 TYR 61 8.275 6.122 -30.031 455 HH TYR 61 HH TYR 61 8.444 4.180 -31.630 456 H ALA 62 HN ALA 62 1.362 9.917 -31.177 457 HA ALA 62 HA ALA 62 -0.011 8.857 -33.462 458 HB1 ALA 62 HB1 ALA 62 -1.028 11.113 -33.609 459 HB2 ALA 62 HB2 ALA 62 0.117 11.711 -32.406 460 HB3 ALA 62 HB3 ALA 62 -1.081 10.494 -31.957 461 H ASP 63 HN ASP 63 0.096 9.813 -35.671 462 HA ASP 63 HA ASP 63 2.699 9.793 -36.741 463 HB2 ASP 63 HB2 ASP 63 0.142 10.855 -38.006 464 HB3 ASP 63 HB1 ASP 63 1.609 10.417 -38.876 465 H SER 64 HN SER 64 0.718 12.444 -35.603 466 HA SER 64 HA SER 64 2.044 14.647 -36.796 467 HB2 SER 64 HB2 SER 64 -0.185 14.819 -35.733 468 HB3 SER 64 HB1 SER 64 0.526 14.474 -34.157 469 HG SER 64 HG SER 64 0.468 16.819 -35.601 470 H VAL 65 HN VAL 65 2.641 12.783 -33.863 471 HA VAL 65 HA VAL 65 4.983 14.462 -33.141 472 HB VAL 65 HB VAL 65 4.634 13.724 -30.802 473 HG11 VAL 65 HG11 VAL 65 2.578 15.022 -30.308 474 HG12 VAL 65 HG12 VAL 65 2.135 14.964 -32.017 475 HG13 VAL 65 HG13 VAL 65 3.588 15.829 -31.513 476 HG21 VAL 65 HG21 VAL 65 2.148 12.296 -31.826 477 HG22 VAL 65 HG22 VAL 65 2.569 12.507 -30.123 478 HG23 VAL 65 HG23 VAL 65 3.597 11.531 -31.172 479 H LYS 66 HN LYS 66 4.577 11.901 -34.886 480 HA LYS 66 HA LYS 66 5.723 9.675 -33.544 481 HB2 LYS 66 HB2 LYS 66 4.206 9.479 -35.490 482 HB3 LYS 66 HB1 LYS 66 5.411 10.213 -36.531 483 HG2 LYS 66 HG2 LYS 66 6.125 7.681 -35.066 484 HG3 LYS 66 HG1 LYS 66 5.029 7.567 -36.437 485 HD2 LYS 66 HD2 LYS 66 7.831 8.758 -36.534 486 HD3 LYS 66 HD1 LYS 66 7.407 7.120 -37.036 487 HE2 LYS 66 HE2 LYS 66 5.951 8.016 -38.800 488 HE3 LYS 66 HE1 LYS 66 6.300 9.666 -38.276 489 HZ1 LYS 66 HZ1 LYS 66 8.291 7.736 -39.315 490 HZ2 LYS 66 HZ2 LYS 66 8.599 9.336 -38.857 491 HZ3 LYS 66 HZ3 LYS 66 7.607 9.009 -40.190 492 H GLY 67 HN GLY 67 7.760 9.371 -33.001 493 HA2 GLY 67 HA2 GLY 67 10.039 9.067 -33.318 494 HA3 GLY 67 HA1 GLY 67 9.973 10.012 -34.792 495 H ARG 68 HN ARG 68 8.560 12.251 -33.343 496 HA ARG 68 HA ARG 68 10.899 13.684 -32.420 497 HB2 ARG 68 HB2 ARG 68 8.029 14.662 -32.152 498 HB3 ARG 68 HB1 ARG 68 9.504 15.616 -32.278 499 HG2 ARG 68 HG2 ARG 68 9.686 14.728 -34.673 500 HG3 ARG 68 HG1 ARG 68 8.042 14.116 -34.462 501 HD2 ARG 68 HD2 ARG 68 9.013 16.971 -34.610 502 HD3 ARG 68 HD1 ARG 68 7.680 16.202 -35.472 503 HE ARG 68 HE ARG 68 7.553 16.800 -32.568 504 HH11 ARG 68 HH11 ARG 68 6.093 17.063 -35.748 505 HH12 ARG 68 HH12 ARG 68 4.666 17.841 -35.150 506 HH21 ARG 68 HH21 ARG 68 5.689 17.857 -31.820 507 HH22 ARG 68 HH22 ARG 68 4.447 18.301 -32.943 508 H PHE 69 HN PHE 69 7.748 12.834 -31.001 509 HA PHE 69 HA PHE 69 8.708 13.132 -28.266 510 HB2 PHE 69 HB2 PHE 69 6.014 12.299 -29.433 511 HB3 PHE 69 HB1 PHE 69 6.344 12.338 -27.705 512 HD1 PHE 69 HD1 PHE 69 7.105 14.773 -30.493 513 HD2 PHE 69 HD2 PHE 69 5.147 14.109 -26.745 514 HE1 PHE 69 HE1 PHE 69 6.389 17.121 -30.450 515 HE2 PHE 69 HE2 PHE 69 4.439 16.464 -26.711 516 HZ PHE 69 HZ PHE 69 5.058 17.968 -28.561 517 H THR 70 HN THR 70 9.663 11.536 -27.249 518 HA THR 70 HA THR 70 9.313 8.716 -28.052 519 HB THR 70 HB THR 70 11.977 10.040 -27.311 520 HG1 THR 70 HG1 THR 70 11.001 10.566 -29.455 521 HG21 THR 70 HG21 THR 70 11.856 7.631 -26.716 522 HG22 THR 70 HG22 THR 70 12.995 7.908 -28.034 523 HG23 THR 70 HG23 THR 70 11.396 7.245 -28.377 524 H ILE 71 HN ILE 71 9.166 7.349 -26.327 525 HA ILE 71 HA ILE 71 9.433 8.450 -23.595 526 HB ILE 71 HB ILE 71 7.719 6.781 -22.854 527 HG12 ILE 71 HG12 ILE 71 7.933 5.252 -24.923 528 HG13 ILE 71 HG11 ILE 71 6.312 5.542 -24.322 529 HG21 ILE 71 HG21 ILE 71 6.748 8.804 -24.887 530 HG22 ILE 71 HG22 ILE 71 7.091 9.094 -23.180 531 HG23 ILE 71 HG23 ILE 71 5.752 8.043 -23.641 532 HD11 ILE 71 HD11 ILE 71 7.550 6.868 -26.734 533 HD12 ILE 71 HD12 ILE 71 5.906 7.114 -26.144 534 HD13 ILE 71 HD13 ILE 71 6.399 5.535 -26.744 535 H SER 72 HN SER 72 10.492 7.221 -22.118 536 HA SER 72 HA SER 72 11.573 4.586 -22.874 537 HB2 SER 72 HB2 SER 72 13.206 6.895 -21.716 538 HB3 SER 72 HB1 SER 72 13.802 5.261 -21.996 539 HG SER 72 HG SER 72 12.681 6.235 -24.245 540 H ARG 73 HN ARG 73 11.402 3.172 -21.215 541 HA ARG 73 HA ARG 73 10.761 4.194 -18.502 542 HB2 ARG 73 HB2 ARG 73 8.893 2.942 -19.573 543 HB3 ARG 73 HB1 ARG 73 9.942 1.554 -19.808 544 HG2 ARG 73 HG2 ARG 73 10.126 1.247 -17.374 545 HG3 ARG 73 HG1 ARG 73 9.142 2.690 -17.106 546 HD2 ARG 73 HD2 ARG 73 7.225 1.603 -18.197 547 HD3 ARG 73 HD1 ARG 73 8.211 0.170 -18.523 548 HE ARG 73 HE ARG 73 8.342 0.575 -15.798 549 HH11 ARG 73 HH11 ARG 73 5.738 -0.069 -18.080 550 HH12 ARG 73 HH12 ARG 73 4.794 -0.957 -16.936 551 HH21 ARG 73 HH21 ARG 73 7.093 -0.598 -14.316 552 HH22 ARG 73 HH22 ARG 73 5.564 -1.244 -14.797 553 H ASP 74 HN ASP 74 12.323 3.831 -17.075 554 HA ASP 74 HA ASP 74 14.233 1.594 -17.461 555 HB2 ASP 74 HB2 ASP 74 14.805 4.372 -16.333 556 HB3 ASP 74 HB1 ASP 74 15.961 3.049 -16.421 557 H ASN 75 HN ASN 75 13.137 0.219 -16.168 558 HA ASN 75 HA ASN 75 12.019 0.827 -13.613 559 HB2 ASN 75 HB2 ASN 75 11.269 -1.032 -15.186 560 HB3 ASN 75 HB1 ASN 75 12.731 -1.912 -14.758 561 HD21 ASN 75 HD21 ASN 75 11.814 -3.629 -13.717 562 HD22 ASN 75 HD22 ASN 75 10.873 -3.503 -12.274 563 H ALA 76 HN ALA 76 15.218 0.206 -14.662 564 HA ALA 76 HA ALA 76 16.492 -1.072 -12.549 565 HB1 ALA 76 HB1 ALA 76 17.549 -0.564 -14.714 566 HB2 ALA 76 HB2 ALA 76 18.554 -0.013 -13.373 567 HB3 ALA 76 HB3 ALA 76 17.599 1.151 -14.303 568 H LYS 77 HN LYS 77 15.825 2.426 -12.918 569 HA LYS 77 HA LYS 77 16.181 2.745 -9.987 570 HB2 LYS 77 HB2 LYS 77 16.780 5.098 -10.323 571 HB3 LYS 77 HB1 LYS 77 17.915 4.039 -11.140 572 HG2 LYS 77 HG2 LYS 77 15.641 5.363 -12.636 573 HG3 LYS 77 HG1 LYS 77 17.160 6.207 -12.325 574 HD2 LYS 77 HD2 LYS 77 18.377 4.371 -13.519 575 HD3 LYS 77 HD1 LYS 77 16.820 3.623 -13.899 576 HE2 LYS 77 HE2 LYS 77 17.636 4.926 -15.809 577 HE3 LYS 77 HE1 LYS 77 16.168 5.657 -15.161 578 HZ1 LYS 77 HZ1 LYS 77 17.555 7.285 -14.009 579 HZ2 LYS 77 HZ2 LYS 77 17.816 7.323 -15.678 580 HZ3 LYS 77 HZ3 LYS 77 18.950 6.585 -14.661 581 H ASN 78 HN ASN 78 13.888 2.217 -12.051 582 HA ASN 78 HA ASN 78 11.643 2.400 -12.084 583 HB2 ASN 78 HB2 ASN 78 12.005 3.691 -9.346 584 HB3 ASN 78 HB1 ASN 78 10.484 3.068 -9.978 585 HD21 ASN 78 HD21 ASN 78 11.478 0.665 -11.157 586 HD22 ASN 78 HD22 ASN 78 11.991 -0.365 -9.877 587 H THR 79 HN THR 79 13.220 4.516 -13.281 588 HA THR 79 HA THR 79 11.446 6.870 -13.017 589 HB THR 79 HB THR 79 14.344 6.896 -13.973 590 HG1 THR 79 HG1 THR 79 13.542 6.506 -11.524 591 HG21 THR 79 HG21 THR 79 12.985 8.803 -14.783 592 HG22 THR 79 HG22 THR 79 14.179 9.334 -13.596 593 HG23 THR 79 HG23 THR 79 12.488 9.154 -13.123 594 H VAL 80 HN VAL 80 10.391 7.482 -14.755 595 HA VAL 80 HA VAL 80 10.860 6.307 -17.407 596 HB VAL 80 HB VAL 80 8.331 7.562 -16.219 597 HG11 VAL 80 HG11 VAL 80 8.695 6.160 -18.892 598 HG12 VAL 80 HG12 VAL 80 8.384 7.883 -18.655 599 HG13 VAL 80 HG13 VAL 80 7.153 6.694 -18.221 600 HG21 VAL 80 HG21 VAL 80 8.972 4.633 -16.736 601 HG22 VAL 80 HG22 VAL 80 7.418 5.256 -16.178 602 HG23 VAL 80 HG23 VAL 80 8.846 5.406 -15.152 603 H TYR 81 HN TYR 81 10.752 7.747 -19.231 604 HA TYR 81 HA TYR 81 11.129 10.629 -18.694 605 HB2 TYR 81 HB2 TYR 81 12.873 8.912 -20.524 606 HB3 TYR 81 HB1 TYR 81 13.011 10.657 -20.332 607 HD1 TYR 81 HD1 TYR 81 13.698 7.389 -18.774 608 HD2 TYR 81 HD2 TYR 81 14.004 11.624 -18.279 609 HE1 TYR 81 HE1 TYR 81 15.232 7.051 -16.886 610 HE2 TYR 81 HE2 TYR 81 15.542 11.288 -16.391 611 HH TYR 81 HH TYR 81 16.042 9.520 -14.712 612 H LEU 82 HN LEU 82 10.528 12.024 -20.358 613 HA LEU 82 HA LEU 82 9.360 10.920 -22.842 614 HB2 LEU 82 HB2 LEU 82 7.463 11.525 -21.437 615 HB3 LEU 82 HB1 LEU 82 8.177 13.079 -21.053 616 HG LEU 82 HG LEU 82 7.872 13.788 -23.438 617 HD11 LEU 82 HD11 LEU 82 7.910 11.614 -24.539 618 HD12 LEU 82 HD12 LEU 82 6.453 12.510 -24.956 619 HD13 LEU 82 HD13 LEU 82 6.370 11.184 -23.791 620 HD21 LEU 82 HD21 LEU 82 5.447 14.141 -23.321 621 HD22 LEU 82 HD22 LEU 82 6.209 14.406 -21.755 622 HD23 LEU 82 HD23 LEU 82 5.317 12.912 -22.057 623 H GLN 83 HN GLN 83 11.003 11.482 -24.157 624 HA GLN 83 HA GLN 83 12.226 14.120 -24.120 625 HB2 GLN 83 HB2 GLN 83 13.643 12.140 -24.591 626 HB3 GLN 83 HB1 GLN 83 12.657 11.752 -25.994 627 HG2 GLN 83 HG2 GLN 83 14.768 12.804 -26.656 628 HG3 GLN 83 HG1 GLN 83 13.392 13.803 -27.118 629 HE21 GLN 83 HE21 GLN 83 13.085 15.811 -26.076 630 HE22 GLN 83 HE22 GLN 83 14.311 16.549 -25.112 631 H MET 84 HN MET 84 10.747 15.582 -24.741 632 HA MET 84 HA MET 84 9.075 15.352 -27.097 633 HB2 MET 84 HB2 MET 84 9.717 17.754 -25.326 634 HB3 MET 84 HB1 MET 84 8.465 17.705 -26.557 635 HG2 MET 84 HG2 MET 84 7.202 16.089 -25.241 636 HG3 MET 84 HG1 MET 84 8.496 16.040 -24.032 637 HE1 MET 84 HE1 MET 84 6.129 16.622 -22.485 638 HE2 MET 84 HE2 MET 84 5.179 17.030 -23.914 639 HE3 MET 84 HE3 MET 84 5.336 18.194 -22.598 640 H ASN 85 HN ASN 85 9.544 16.193 -29.086 641 HA ASN 85 HA ASN 85 11.686 18.195 -29.379 642 HB2 ASN 85 HB2 ASN 85 11.457 15.639 -31.031 643 HB3 ASN 85 HB1 ASN 85 12.349 17.049 -31.591 644 HD21 ASN 85 HD21 ASN 85 12.262 14.442 -29.269 645 HD22 ASN 85 HD22 ASN 85 13.903 14.580 -28.766 646 H SER 86 HN SER 86 11.205 19.777 -30.811 647 HA SER 86 HA SER 86 9.971 21.241 -31.983 648 HB2 SER 86 HB2 SER 86 10.393 19.552 -33.798 649 HB3 SER 86 HB1 SER 86 8.839 18.807 -33.436 650 HG SER 86 HG SER 86 8.577 20.231 -35.126 651 H LEU 87 HN LEU 87 8.942 21.648 -29.941 652 HA LEU 87 HA LEU 87 6.325 20.554 -29.380 653 HB2 LEU 87 HB2 LEU 87 8.160 22.517 -27.988 654 HB3 LEU 87 HB1 LEU 87 6.495 22.322 -27.454 655 HG LEU 87 HG LEU 87 8.487 20.022 -27.616 656 HD11 LEU 87 HD11 LEU 87 9.245 21.619 -25.932 657 HD12 LEU 87 HD12 LEU 87 8.647 20.143 -25.180 658 HD13 LEU 87 HD13 LEU 87 7.652 21.603 -25.168 659 HD21 LEU 87 HD21 LEU 87 5.741 20.212 -26.330 660 HD22 LEU 87 HD22 LEU 87 6.823 18.817 -26.270 661 HD23 LEU 87 HD23 LEU 87 6.145 19.334 -27.808 662 H LYS 88 HN LYS 88 4.397 21.674 -29.324 663 HA LYS 88 HA LYS 88 4.085 23.729 -31.381 664 HB2 LYS 88 HB2 LYS 88 1.813 22.501 -29.768 665 HB3 LYS 88 HB1 LYS 88 1.784 23.119 -31.421 666 HG2 LYS 88 HG2 LYS 88 3.075 21.148 -32.178 667 HG3 LYS 88 HG1 LYS 88 3.137 20.552 -30.515 668 HD2 LYS 88 HD2 LYS 88 0.595 20.542 -30.533 669 HD3 LYS 88 HD1 LYS 88 0.666 20.902 -32.258 670 HE2 LYS 88 HE2 LYS 88 1.940 18.764 -32.584 671 HE3 LYS 88 HE1 LYS 88 1.709 18.408 -30.870 672 HZ1 LYS 88 HZ1 LYS 88 -0.423 18.740 -32.911 673 HZ2 LYS 88 HZ2 LYS 88 -0.702 18.512 -31.261 674 HZ3 LYS 88 HZ3 LYS 88 0.043 17.293 -32.167 675 HA PRO 89 HA PRO 89 3.347 27.038 -28.291 676 HB2 PRO 89 HB2 PRO 89 1.506 28.571 -29.710 677 HB3 PRO 89 HB1 PRO 89 3.257 28.674 -29.928 678 HG2 PRO 89 HG2 PRO 89 1.231 27.146 -31.552 679 HG3 PRO 89 HG1 PRO 89 2.606 28.119 -32.113 680 HD2 PRO 89 HD2 PRO 89 2.737 25.424 -32.030 681 HD3 PRO 89 HD1 PRO 89 4.164 26.421 -31.631 682 H GLU 90 HN GLU 90 0.841 25.180 -29.878 683 HA GLU 90 HA GLU 90 -1.373 25.450 -28.232 684 HB2 GLU 90 HB2 GLU 90 -1.568 24.302 -30.315 685 HB3 GLU 90 HB1 GLU 90 -0.216 23.237 -29.954 686 HG2 GLU 90 HG2 GLU 90 -1.581 22.122 -28.243 687 HG3 GLU 90 HG1 GLU 90 -2.950 23.138 -28.684 688 H ASP 91 HN ASP 91 1.666 23.803 -27.691 689 HA ASP 91 HA ASP 91 0.600 21.868 -25.816 690 HB2 ASP 91 HB2 ASP 91 2.491 21.559 -27.639 691 HB3 ASP 91 HB1 ASP 91 3.550 22.235 -26.408 692 H THR 92 HN THR 92 0.875 24.946 -25.263 693 HA THR 92 HA THR 92 2.037 24.902 -22.628 694 HB THR 92 HB THR 92 0.003 26.818 -23.864 695 HG1 THR 92 HG1 THR 92 1.956 27.014 -24.920 696 HG21 THR 92 HG21 THR 92 -0.109 26.929 -21.394 697 HG22 THR 92 HG22 THR 92 0.634 28.388 -22.054 698 HG23 THR 92 HG23 THR 92 1.643 27.141 -21.322 699 H ALA 93 HN ALA 93 1.211 23.135 -21.566 700 HA ALA 93 HA ALA 93 -1.494 23.154 -20.543 701 HB1 ALA 93 HB1 ALA 93 -2.150 20.946 -21.455 702 HB2 ALA 93 HB2 ALA 93 -0.663 20.888 -22.406 703 HB3 ALA 93 HB3 ALA 93 -1.885 22.112 -22.753 704 H VAL 94 HN VAL 94 -1.791 21.052 -19.128 705 HA VAL 94 HA VAL 94 0.743 20.708 -17.656 706 HB VAL 94 HB VAL 94 -0.972 21.646 -16.253 707 HG11 VAL 94 HG11 VAL 94 -3.138 20.585 -15.765 708 HG12 VAL 94 HG12 VAL 94 -2.789 19.318 -16.944 709 HG13 VAL 94 HG13 VAL 94 -2.995 20.984 -17.482 710 HG21 VAL 94 HG21 VAL 94 -0.600 18.715 -15.560 711 HG22 VAL 94 HG22 VAL 94 -1.075 19.984 -14.427 712 HG23 VAL 94 HG23 VAL 94 0.520 20.026 -15.183 713 H TYR 95 HN TYR 95 1.823 18.998 -18.327 714 HA TYR 95 HA TYR 95 0.571 16.629 -19.431 715 HB2 TYR 95 HB2 TYR 95 3.355 17.722 -19.276 716 HB3 TYR 95 HB1 TYR 95 3.259 15.969 -19.207 717 HD1 TYR 95 HD1 TYR 95 2.188 18.905 -21.272 718 HD2 TYR 95 HD2 TYR 95 3.012 14.714 -21.203 719 HE1 TYR 95 HE1 TYR 95 1.998 18.826 -23.722 720 HE2 TYR 95 HE2 TYR 95 2.824 14.632 -23.648 721 HH TYR 95 HH TYR 95 2.663 17.484 -25.588 722 H LEU 96 HN LEU 96 0.775 14.564 -18.582 723 HA LEU 96 HA LEU 96 1.830 14.132 -15.926 724 HB2 LEU 96 HB2 LEU 96 -0.347 13.188 -15.073 725 HB3 LEU 96 HB1 LEU 96 -0.328 14.922 -15.292 726 HG LEU 96 HG LEU 96 -1.467 14.289 -17.654 727 HD11 LEU 96 HD11 LEU 96 -1.390 11.872 -17.387 728 HD12 LEU 96 HD12 LEU 96 -3.051 12.450 -17.482 729 HD13 LEU 96 HD13 LEU 96 -2.373 11.978 -15.920 730 HD21 LEU 96 HD21 LEU 96 -2.449 15.803 -16.006 731 HD22 LEU 96 HD22 LEU 96 -3.034 14.433 -15.059 732 HD23 LEU 96 HD23 LEU 96 -3.673 14.726 -16.679 733 H CYS 97 HN CYS 97 2.506 12.067 -15.648 734 HA CYS 97 HA CYS 97 2.253 10.203 -17.893 735 HB2 CYS 97 HB2 CYS 97 3.885 8.827 -16.544 736 HB3 CYS 97 HB1 CYS 97 4.475 10.438 -16.942 737 HG CYS 97 HG CYS 97 4.758 11.341 -14.560 738 H ALA 98 HN ALA 98 1.389 8.128 -17.637 739 HA ALA 98 HA ALA 98 -0.498 7.747 -15.392 740 HB1 ALA 98 HB1 ALA 98 -1.605 8.012 -17.574 741 HB2 ALA 98 HB2 ALA 98 -1.833 6.382 -16.944 742 HB3 ALA 98 HB3 ALA 98 -0.661 6.671 -18.233 743 H ALA 99 HN ALA 99 -0.760 5.603 -14.644 744 HA ALA 99 HA ALA 99 1.170 3.542 -15.461 745 HB1 ALA 99 HB1 ALA 99 1.617 2.952 -13.107 746 HB2 ALA 99 HB2 ALA 99 0.629 4.310 -12.563 747 HB3 ALA 99 HB3 ALA 99 2.125 4.606 -13.447 748 H GLY 100 HN GLY 100 0.271 1.552 -15.477 749 HA2 GLY 100 HA2 GLY 100 -2.473 1.135 -14.491 750 HA3 GLY 100 HA1 GLY 100 -2.088 0.853 -16.190 751 H VAL 101 HN VAL 101 -3.083 -1.100 -14.431 752 HA VAL 101 HA VAL 101 -0.780 -2.947 -14.083 753 HB VAL 101 HB VAL 101 -2.177 -4.133 -12.371 754 HG11 VAL 101 HG11 VAL 101 -1.642 -1.203 -11.739 755 HG12 VAL 101 HG12 VAL 101 -0.478 -2.523 -11.632 756 HG13 VAL 101 HG13 VAL 101 -1.863 -2.485 -10.541 757 HG21 VAL 101 HG21 VAL 101 -4.423 -3.424 -13.130 758 HG22 VAL 101 HG22 VAL 101 -4.083 -1.766 -12.630 759 HG23 VAL 101 HG23 VAL 101 -4.193 -3.047 -11.420 760 H TRP 102 HN TRP 102 -1.049 -5.085 -14.750 761 HA TRP 102 HA TRP 102 -2.674 -5.573 -17.045 762 HB2 TRP 102 HB2 TRP 102 -0.387 -6.560 -16.642 763 HB3 TRP 102 HB1 TRP 102 -1.079 -7.587 -15.395 764 HD1 TRP 102 HD1 TRP 102 -1.872 -9.938 -16.229 765 HE1 TRP 102 HE1 TRP 102 -2.331 -11.000 -18.528 766 HE3 TRP 102 HE3 TRP 102 -1.304 -5.793 -19.192 767 HZ2 TRP 102 HZ2 TRP 102 -2.458 -10.200 -21.234 768 HZ3 TRP 102 HZ3 TRP 102 -1.609 -6.027 -21.625 769 HH2 TRP 102 HH2 TRP 102 -2.173 -8.188 -22.629 770 H ARG 103 HN ARG 103 -4.752 -5.300 -16.442 771 HA ARG 103 HA ARG 103 -5.855 -6.157 -13.959 772 HB2 ARG 103 HB2 ARG 103 -6.448 -4.083 -15.347 773 HB3 ARG 103 HB1 ARG 103 -7.374 -5.148 -16.394 774 HG2 ARG 103 HG2 ARG 103 -8.856 -5.722 -14.521 775 HG3 ARG 103 HG1 ARG 103 -7.883 -4.731 -13.431 776 HD2 ARG 103 HD2 ARG 103 -8.425 -2.755 -14.961 777 HD3 ARG 103 HD1 ARG 103 -9.613 -3.805 -15.737 778 HE ARG 103 HE ARG 103 -10.740 -3.978 -13.553 779 HH11 ARG 103 HH11 ARG 103 -8.462 -1.322 -13.906 780 HH12 ARG 103 HH12 ARG 103 -9.286 -0.309 -12.774 781 HH21 ARG 103 HH21 ARG 103 -11.808 -2.619 -12.073 782 HH22 ARG 103 HH22 ARG 103 -11.190 -1.032 -11.754 783 H SER 104 HN SER 104 -7.616 -7.659 -13.616 784 HA SER 104 HA SER 104 -7.371 -10.157 -14.966 785 HB2 SER 104 HB2 SER 104 -9.537 -9.214 -13.034 786 HB3 SER 104 HB1 SER 104 -9.204 -10.894 -13.466 787 HG SER 104 HG SER 104 -7.886 -9.206 -11.732 788 H SER 105 HN SER 105 -9.337 -7.386 -15.594 789 HA SER 105 HA SER 105 -11.387 -8.507 -17.207 790 HB2 SER 105 HB2 SER 105 -11.544 -6.226 -16.340 791 HB3 SER 105 HB1 SER 105 -10.090 -5.749 -17.212 792 HG SER 105 HG SER 105 -12.046 -6.791 -18.837 793 H GLY 106 HN GLY 106 -8.007 -7.964 -17.765 794 HA2 GLY 106 HA2 GLY 106 -6.842 -9.069 -19.555 795 HA3 GLY 106 HA1 GLY 106 -8.241 -8.830 -20.590 796 H TRP 107 HN TRP 107 -8.569 -6.054 -19.639 797 HA TRP 107 HA TRP 107 -6.720 -4.752 -21.473 798 HB2 TRP 107 HB2 TRP 107 -9.128 -3.688 -19.931 799 HB3 TRP 107 HB1 TRP 107 -8.182 -2.744 -21.078 800 HD1 TRP 107 HD1 TRP 107 -10.857 -5.490 -20.949 801 HE1 TRP 107 HE1 TRP 107 -11.783 -5.845 -23.321 802 HE3 TRP 107 HE3 TRP 107 -7.548 -2.585 -23.579 803 HZ2 TRP 107 HZ2 TRP 107 -11.202 -5.016 -25.951 804 HZ3 TRP 107 HZ3 TRP 107 -7.809 -2.422 -26.027 805 HH2 TRP 107 HH2 TRP 107 -9.603 -3.616 -27.185 806 H ASP 108 HN ASP 108 -4.808 -4.034 -20.705 807 HA ASP 108 HA ASP 108 -4.336 -3.333 -17.944 808 HB2 ASP 108 HB2 ASP 108 -2.605 -4.263 -19.642 809 HB3 ASP 108 HB1 ASP 108 -2.537 -2.640 -20.306 810 H THR 109 HN THR 109 -5.407 -1.565 -17.214 811 HA THR 109 HA THR 109 -5.809 0.771 -18.995 812 HB THR 109 HB THR 109 -7.921 -0.329 -18.449 813 HG1 THR 109 HG1 THR 109 -7.857 1.985 -16.814 814 HG21 THR 109 HG21 THR 109 -8.787 -0.499 -16.142 815 HG22 THR 109 HG22 THR 109 -7.258 0.114 -15.514 816 HG23 THR 109 HG23 THR 109 -7.308 -1.449 -16.329 817 HA PRO 110 HA PRO 110 -3.378 3.216 -16.069 818 HB2 PRO 110 HB2 PRO 110 -4.988 5.600 -16.856 819 HB3 PRO 110 HB1 PRO 110 -3.258 5.305 -17.047 820 HG2 PRO 110 HG2 PRO 110 -4.947 5.287 -19.158 821 HG3 PRO 110 HG1 PRO 110 -3.527 4.230 -19.079 822 HD2 PRO 110 HD2 PRO 110 -6.418 3.553 -18.561 823 HD3 PRO 110 HD1 PRO 110 -5.176 2.615 -19.422 824 H ASP 111 HN ASP 111 -4.102 2.447 -14.081 825 HA ASP 111 HA ASP 111 -6.552 3.528 -12.858 826 HB2 ASP 111 HB2 ASP 111 -4.557 1.402 -11.973 827 HB3 ASP 111 HB1 ASP 111 -5.850 1.976 -10.924 828 H TYR 112 HN TYR 112 -3.300 4.341 -13.086 829 HA TYR 112 HA TYR 112 -3.447 6.169 -10.761 830 HB2 TYR 112 HB2 TYR 112 -0.814 4.959 -11.709 831 HB3 TYR 112 HB1 TYR 112 -1.161 5.745 -10.176 832 HD1 TYR 112 HD1 TYR 112 -0.966 2.599 -11.912 833 HD2 TYR 112 HD2 TYR 112 -2.678 4.485 -8.478 834 HE1 TYR 112 HE1 TYR 112 -1.374 0.399 -10.916 835 HE2 TYR 112 HE2 TYR 112 -3.080 2.269 -7.473 836 HH TYR 112 HH TYR 112 -1.739 -0.627 -8.805 837 H TRP 113 HN TRP 113 -2.496 8.208 -11.133 838 HA TRP 113 HA TRP 113 -1.330 8.800 -13.762 839 HB2 TRP 113 HB2 TRP 113 -3.721 10.268 -12.567 840 HB3 TRP 113 HB1 TRP 113 -2.695 10.991 -13.803 841 HD1 TRP 113 HD1 TRP 113 -2.667 9.689 -16.253 842 HE1 TRP 113 HE1 TRP 113 -4.543 8.410 -17.452 843 HE3 TRP 113 HE3 TRP 113 -5.756 8.813 -12.258 844 HZ2 TRP 113 HZ2 TRP 113 -6.988 7.187 -16.819 845 HZ3 TRP 113 HZ3 TRP 113 -7.856 7.579 -12.645 846 HH2 TRP 113 HH2 TRP 113 -8.462 6.786 -14.881 847 H GLY 114 HN GLY 114 -0.332 10.980 -13.794 848 HA2 GLY 114 HA2 GLY 114 1.503 11.157 -11.603 849 HA3 GLY 114 HA1 GLY 114 1.507 12.126 -13.065 850 H GLN 115 HN GLN 115 2.211 13.422 -10.901 851 HA GLN 115 HA GLN 115 0.059 14.632 -9.425 852 HB2 GLN 115 HB2 GLN 115 2.983 15.396 -9.737 853 HB3 GLN 115 HB1 GLN 115 1.872 16.163 -8.601 854 HG2 GLN 115 HG2 GLN 115 1.572 14.026 -7.423 855 HG3 GLN 115 HG1 GLN 115 2.635 13.222 -8.582 856 HE21 GLN 115 HE21 GLN 115 4.072 12.579 -6.958 857 HE22 GLN 115 HE22 GLN 115 5.130 13.692 -6.164 858 H GLY 116 HN GLY 116 1.743 15.320 -12.379 859 HA2 GLY 116 HA2 GLY 116 0.744 16.623 -14.105 860 HA3 GLY 116 HA1 GLY 116 0.038 17.678 -12.887 861 H THR 117 HN THR 117 2.779 17.023 -14.837 862 HA THR 117 HA THR 117 4.342 19.238 -13.712 863 HB THR 117 HB THR 117 5.653 17.262 -14.183 864 HG1 THR 117 HG1 THR 117 6.387 18.810 -16.397 865 HG21 THR 117 HG21 THR 117 5.903 16.272 -16.427 866 HG22 THR 117 HG22 THR 117 4.679 17.377 -17.054 867 HG23 THR 117 HG23 THR 117 4.231 16.158 -15.860 868 H GLN 118 HN GLN 118 3.698 21.162 -14.352 869 HA GLN 118 HA GLN 118 2.044 21.601 -16.674 870 HB2 GLN 118 HB2 GLN 118 1.925 22.680 -14.255 871 HB3 GLN 118 HB1 GLN 118 3.108 23.809 -14.879 872 HG2 GLN 118 HG2 GLN 118 0.318 23.360 -15.994 873 HG3 GLN 118 HG1 GLN 118 0.814 24.692 -14.950 874 HE21 GLN 118 HE21 GLN 118 0.897 23.395 -18.170 875 HE22 GLN 118 HE22 GLN 118 1.506 24.808 -18.949 876 H VAL 119 HN VAL 119 3.191 21.460 -18.570 877 HA VAL 119 HA VAL 119 5.717 22.908 -18.920 878 HB VAL 119 HB VAL 119 5.908 21.865 -21.112 879 HG11 VAL 119 HG11 VAL 119 5.999 19.465 -20.498 880 HG12 VAL 119 HG12 VAL 119 5.044 19.805 -19.051 881 HG13 VAL 119 HG13 VAL 119 6.656 20.502 -19.230 882 HG21 VAL 119 HG21 VAL 119 3.140 20.665 -20.703 883 HG22 VAL 119 HG22 VAL 119 4.219 20.319 -22.058 884 HG23 VAL 119 HG23 VAL 119 3.556 21.940 -21.849 885 H THR 120 HN THR 120 5.896 24.777 -20.106 886 HA THR 120 HA THR 120 3.447 25.894 -21.373 887 HB THR 120 HB THR 120 5.568 27.392 -19.760 888 HG1 THR 120 HG1 THR 120 3.408 26.137 -18.952 889 HG21 THR 120 HG21 THR 120 4.782 28.795 -21.627 890 HG22 THR 120 HG22 THR 120 4.169 29.407 -20.089 891 HG23 THR 120 HG23 THR 120 3.107 28.496 -21.163 892 H VAL 121 HN VAL 121 3.965 25.476 -23.518 893 HA VAL 121 HA VAL 121 6.636 26.232 -24.480 894 HB VAL 121 HB VAL 121 4.321 25.112 -26.108 895 HG11 VAL 121 HG11 VAL 121 7.306 25.246 -26.703 896 HG12 VAL 121 HG12 VAL 121 6.055 26.239 -27.452 897 HG13 VAL 121 HG13 VAL 121 6.084 24.497 -27.737 898 HG21 VAL 121 HG21 VAL 121 5.392 22.887 -25.881 899 HG22 VAL 121 HG22 VAL 121 4.883 23.517 -24.312 900 HG23 VAL 121 HG23 VAL 121 6.586 23.570 -24.772 901 H SER 122 HN SER 122 6.660 28.419 -24.246 902 HA SER 122 HA SER 122 4.617 30.212 -25.017 903 HB2 SER 122 HB2 SER 122 6.548 30.740 -23.498 904 HB3 SER 122 HB1 SER 122 7.607 30.788 -24.905 905 HG SER 122 HG SER 122 6.049 32.702 -23.933 906 H SER 123 HN SER 123 4.320 31.446 -26.883 907 HA SER 123 HA SER 123 4.814 30.075 -29.328 908 HB2 SER 123 HB2 SER 123 3.526 32.087 -30.284 909 HB3 SER 123 HB1 SER 123 2.687 31.115 -29.077 910 HG SER 123 HG SER 123 2.808 33.595 -28.929 911 H LEU 124 HN LEU 124 7.054 30.082 -29.572 912 HA LEU 124 HA LEU 124 8.904 30.537 -30.721 913 HB2 LEU 124 HB2 LEU 124 7.427 33.022 -31.590 914 HB3 LEU 124 HB1 LEU 124 9.072 32.712 -32.099 915 HG LEU 124 HG LEU 124 7.671 32.047 -33.900 916 HD11 LEU 124 HD11 LEU 124 8.160 29.689 -34.203 917 HD12 LEU 124 HD12 LEU 124 8.492 29.504 -32.480 918 HD13 LEU 124 HD13 LEU 124 9.533 30.525 -33.477 919 HD21 LEU 124 HD21 LEU 124 5.818 30.457 -33.730 920 HD22 LEU 124 HD22 LEU 124 5.537 31.895 -32.755 921 HD23 LEU 124 HD23 LEU 124 6.024 30.387 -31.975 922 H GLU 125 HN GLU 125 7.866 33.439 -28.956 923 HA GLU 125 HA GLU 125 10.458 34.336 -28.185 924 HB2 GLU 125 HB2 GLU 125 7.740 34.857 -26.890 925 HB3 GLU 125 HB1 GLU 125 9.216 35.763 -26.562 926 HG2 GLU 125 HG2 GLU 125 9.235 36.610 -28.851 927 HG3 GLU 125 HG1 GLU 125 7.820 35.641 -29.255 928 H HIS 126 HN HIS 126 11.760 32.993 -26.992 929 HA HIS 126 HA HIS 126 10.732 31.322 -24.867 930 HB2 HIS 126 HB2 HIS 126 12.828 30.783 -26.237 931 HB3 HIS 126 HB1 HIS 126 13.658 32.049 -25.341 932 HD1 HIS 126 HD1 HIS 126 14.306 28.918 -25.317 933 HD2 HIS 126 HD2 HIS 126 12.325 31.003 -22.314 934 HE1 HIS 126 HE1 HIS 126 14.606 27.555 -23.235 935 HE2 HIS 126 HE2 HIS 126 13.603 28.947 -21.408 936 H HIS 127 HN HIS 127 9.577 32.917 -23.723 937 HA HIS 127 HA HIS 127 10.776 35.236 -22.555 938 HB2 HIS 127 HB2 HIS 127 8.122 33.838 -22.097 939 HB3 HIS 127 HB1 HIS 127 8.604 35.233 -21.138 940 HD1 HIS 127 HD1 HIS 127 6.218 34.906 -23.355 941 HD2 HIS 127 HD2 HIS 127 9.739 37.096 -23.631 942 HE1 HIS 127 HE1 HIS 127 5.738 36.740 -24.999 943 HE2 HIS 127 HE2 HIS 127 7.902 38.008 -25.208 944 H HIS 128 HN HIS 128 11.194 35.653 -20.375 945 HA HIS 128 HA HIS 128 11.800 33.319 -18.649 946 HB2 HIS 128 HB2 HIS 128 13.110 36.064 -18.889 947 HB3 HIS 128 HB1 HIS 128 13.409 35.001 -17.519 948 HD1 HIS 128 HD1 HIS 128 15.884 35.570 -18.752 949 HD2 HIS 128 HD2 HIS 128 13.411 32.703 -20.472 950 HE1 HIS 128 HE1 HIS 128 17.392 34.135 -20.157 951 HE2 HIS 128 HE2 HIS 128 15.909 32.295 -21.005 952 H HIS 129 HN HIS 129 12.071 34.613 -16.276 953 HA HIS 129 HA HIS 129 9.788 36.311 -15.691 954 HB2 HIS 129 HB2 HIS 129 8.862 34.820 -13.965 955 HB3 HIS 129 HB1 HIS 129 8.861 33.990 -15.519 956 HD1 HIS 129 HD1 HIS 129 10.456 33.933 -12.132 957 HD2 HIS 129 HD2 HIS 129 10.539 31.722 -15.649 958 HE1 HIS 129 HE1 HIS 129 11.712 31.838 -11.577 959 HE2 HIS 129 HE2 HIS 129 11.595 30.437 -13.663 960 H HIS 130 HN HIS 130 9.846 36.738 -13.173 961 HA HIS 130 HA HIS 130 12.418 37.757 -12.469 962 HB2 HIS 130 HB2 HIS 130 10.390 38.910 -11.714 963 HB3 HIS 130 HB1 HIS 130 9.881 37.494 -10.801 964 HD1 HIS 130 HD1 HIS 130 10.850 37.182 -8.471 965 HD2 HIS 130 HD2 HIS 130 12.662 40.284 -10.569 966 HE1 HIS 130 HE1 HIS 130 12.293 38.382 -6.795 967 HE2 HIS 130 HE2 HIS 130 13.408 40.229 -8.093 968 H HIS 131 HN HIS 131 14.022 36.469 -11.893 969 HA HIS 131 HA HIS 131 13.660 34.527 -9.714 970 HB2 HIS 131 HB2 HIS 131 13.799 33.180 -11.780 971 HB3 HIS 131 HB1 HIS 131 15.264 34.019 -12.266 972 HD1 HIS 131 HD1 HIS 131 17.330 32.749 -11.782 973 HD2 HIS 131 HD2 HIS 131 14.292 31.766 -9.123 974 HE1 HIS 131 HE1 HIS 131 18.277 30.948 -10.311 975 HE2 HIS 131 HE2 HIS 131 16.381 30.278 -8.797
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