![]() |
NMR Restraints Grid |
![]() |
Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
![]() |
615257 |
5j6z ![]() ![]() |
30061 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 15.915 7.951 4.202 2 H2 GLY 1 HT2 GLY 1 14.859 9.168 3.691 3 H3 GLY 1 HT3 GLY 1 14.324 7.569 3.780 4 HA2 GLY 1 HA1 GLY 1 14.565 7.570 6.170 5 HA3 GLY 1 HA2 GLY 1 15.161 9.223 6.093 6 H SER 2 H SER 2 13.229 9.257 7.684 7 HA SER 2 HA SER 2 10.622 9.262 6.460 8 HB2 SER 2 HB2 SER 2 11.470 10.141 9.231 9 HB3 SER 2 HB1 SER 2 9.815 9.842 8.693 10 HG SER 2 HG SER 2 10.890 8.069 9.843 11 H GLN 3 H GLN 3 11.195 10.849 4.839 12 HA GLN 3 HA GLN 3 11.750 13.563 5.558 13 HB2 GLN 3 HB2 GLN 3 12.446 12.540 3.411 14 HB3 GLN 3 HB1 GLN 3 10.756 12.394 2.951 15 HG2 GLN 3 HG2 GLN 3 10.611 14.903 3.198 16 HG3 GLN 3 HG1 GLN 3 12.371 14.896 3.309 17 HE21 GLN 3 HE21 GLN 3 9.628 14.454 1.261 18 HE22 GLN 3 HE22 GLN 3 10.494 14.385 -0.236 19 H THR 4 H THR 4 8.914 11.693 4.720 20 HA THR 4 HA THR 4 7.169 13.900 4.357 21 HB THR 4 HB THR 4 6.393 11.061 5.015 22 HG1 THR 4 HG1 THR 4 6.488 10.699 2.772 23 HG21 THR 4 HG21 THR 4 4.391 11.592 3.705 24 HG22 THR 4 HG22 THR 4 4.987 13.233 3.456 25 HG23 THR 4 HG23 THR 4 4.560 12.686 5.078 26 H THR 5 H THR 5 7.203 15.240 6.148 27 HA THR 5 HA THR 5 6.366 14.139 8.713 28 HB THR 5 HB THR 5 6.549 16.640 9.378 29 HG1 THR 5 HG1 THR 5 8.181 17.655 7.919 30 HG21 THR 5 HG21 THR 5 8.133 14.929 10.091 31 HG22 THR 5 HG22 THR 5 8.978 16.420 9.681 32 HG23 THR 5 HG23 THR 5 8.991 15.064 8.556 33 H ALA 6 H ALA 6 4.981 15.327 5.930 34 HA ALA 6 HA ALA 6 2.639 16.498 7.177 35 HB1 ALA 6 HB1 ALA 6 3.491 17.421 5.073 36 HB2 ALA 6 HB2 ALA 6 1.846 16.812 4.889 37 HB3 ALA 6 HB3 ALA 6 3.207 15.873 4.279 38 HA PRO 7 HA PRO 7 0.481 12.682 7.402 39 HB2 PRO 7 HB2 PRO 7 -2.034 13.521 7.706 40 HB3 PRO 7 HB1 PRO 7 -0.794 13.878 8.915 41 HG2 PRO 7 HG2 PRO 7 -1.919 15.639 6.777 42 HG3 PRO 7 HG1 PRO 7 -1.514 16.035 8.455 43 HD2 PRO 7 HD2 PRO 7 0.098 16.576 6.275 44 HD3 PRO 7 HD1 PRO 7 0.670 16.440 7.949 45 H ASP 8 H ASP 8 1.084 13.272 4.651 46 HA ASP 8 HA ASP 8 -1.422 12.621 3.285 47 HB2 ASP 8 HB2 ASP 8 -0.155 12.946 1.179 48 HB3 ASP 8 HB1 ASP 8 -0.155 14.371 2.207 49 H ALA 9 H ALA 9 0.335 10.855 5.031 50 HA ALA 9 HA ALA 9 0.835 8.652 3.189 51 HB1 ALA 9 HB1 ALA 9 2.494 9.095 4.915 52 HB2 ALA 9 HB2 ALA 9 1.765 7.505 5.129 53 HB3 ALA 9 HB3 ALA 9 1.274 8.848 6.162 54 HA PRO 10 HA PRO 10 -3.258 7.008 3.951 55 HB2 PRO 10 HB2 PRO 10 -2.081 4.472 3.003 56 HB3 PRO 10 HB1 PRO 10 -3.446 5.387 2.356 57 HG2 PRO 10 HG2 PRO 10 -1.089 5.284 1.083 58 HG3 PRO 10 HG1 PRO 10 -2.097 6.744 1.066 59 HD2 PRO 10 HD2 PRO 10 0.356 6.160 2.663 60 HD3 PRO 10 HD1 PRO 10 -0.143 7.656 1.897 61 HA PRO 11 HA PRO 11 -2.599 5.101 8.019 62 HB2 PRO 11 HB2 PRO 11 -5.511 4.663 7.548 63 HB3 PRO 11 HB1 PRO 11 -4.687 5.300 8.976 64 HG2 PRO 11 HG2 PRO 11 -5.991 6.935 7.342 65 HG3 PRO 11 HG1 PRO 11 -4.436 7.414 8.047 66 HD2 PRO 11 HD2 PRO 11 -5.056 6.480 5.281 67 HD3 PRO 11 HD1 PRO 11 -3.906 7.718 5.824 68 H ASP 12 H ASP 12 -3.035 2.994 8.907 69 HA ASP 12 HA ASP 12 -2.208 0.900 7.324 70 HB2 ASP 12 HB2 ASP 12 -2.092 0.906 9.776 71 HB3 ASP 12 HB1 ASP 12 -3.844 0.763 9.863 72 HA PRO 13 HA PRO 13 -5.903 0.173 4.888 73 HB2 PRO 13 HB2 PRO 13 -4.353 -2.198 4.029 74 HB3 PRO 13 HB1 PRO 13 -5.071 -0.910 3.055 75 HG2 PRO 13 HG2 PRO 13 -2.432 -1.047 3.416 76 HG3 PRO 13 HG1 PRO 13 -3.273 0.514 3.376 77 HD2 PRO 13 HD2 PRO 13 -2.272 -1.039 5.733 78 HD3 PRO 13 HD1 PRO 13 -2.207 0.708 5.423 79 H THR 14 H THR 14 -7.654 -1.103 5.118 80 HA THR 14 HA THR 14 -7.521 -3.130 7.234 81 HB THR 14 HB THR 14 -10.024 -1.980 6.010 82 HG1 THR 14 HG1 THR 14 -8.671 -0.975 8.315 83 HG21 THR 14 HG21 THR 14 -10.983 -2.546 8.202 84 HG22 THR 14 HG22 THR 14 -9.420 -3.181 8.715 85 HG23 THR 14 HG23 THR 14 -10.302 -3.965 7.404 86 H VAL 15 H VAL 15 -7.869 -5.234 6.811 87 HA VAL 15 HA VAL 15 -8.576 -5.972 4.059 88 HB VAL 15 HB VAL 15 -7.116 -7.530 6.200 89 HG11 VAL 15 HG11 VAL 15 -7.972 -8.382 3.442 90 HG12 VAL 15 HG12 VAL 15 -8.454 -9.098 4.980 91 HG13 VAL 15 HG13 VAL 15 -6.785 -9.243 4.422 92 HG21 VAL 15 HG21 VAL 15 -5.223 -7.415 4.668 93 HG22 VAL 15 HG22 VAL 15 -5.784 -5.798 5.096 94 HG23 VAL 15 HG23 VAL 15 -6.193 -6.486 3.523 95 H ASP 16 H ASP 16 -10.660 -6.430 3.830 96 HA ASP 16 HA ASP 16 -11.990 -7.977 5.961 97 HB2 ASP 16 HB2 ASP 16 -13.088 -5.702 4.312 98 HB3 ASP 16 HB1 ASP 16 -14.132 -6.844 5.147 99 H GLN 17 H GLN 17 -13.947 -9.118 5.180 100 HA GLN 17 HA GLN 17 -14.887 -10.753 3.927 101 HB2 GLN 17 HB2 GLN 17 -14.222 -8.880 1.657 102 HB3 GLN 17 HB1 GLN 17 -15.385 -10.176 1.597 103 HG2 GLN 17 HG2 GLN 17 -15.540 -7.711 3.302 104 HG3 GLN 17 HG1 GLN 17 -16.520 -8.081 1.884 105 HE21 GLN 17 HE21 GLN 17 -17.275 -7.515 4.656 106 HE22 GLN 17 HE22 GLN 17 -18.219 -8.868 5.175 107 H VAL 18 H VAL 18 -12.720 -11.811 4.607 108 HA VAL 18 HA VAL 18 -10.886 -12.347 2.471 109 HB VAL 18 HB VAL 18 -9.820 -13.938 4.020 110 HG11 VAL 18 HG11 VAL 18 -10.505 -11.265 5.237 111 HG12 VAL 18 HG12 VAL 18 -9.183 -11.605 4.120 112 HG13 VAL 18 HG13 VAL 18 -9.168 -12.300 5.740 113 HG21 VAL 18 HG21 VAL 18 -11.788 -14.794 5.169 114 HG22 VAL 18 HG22 VAL 18 -12.066 -13.216 5.903 115 HG23 VAL 18 HG23 VAL 18 -10.630 -14.145 6.331 116 H ASP 19 H ASP 19 -11.156 -13.731 0.901 117 HA ASP 19 HA ASP 19 -13.131 -15.887 1.150 118 HB2 ASP 19 HB2 ASP 19 -11.595 -14.911 -1.274 119 HB3 ASP 19 HB1 ASP 19 -12.817 -16.173 -1.288 120 H ASP 20 H ASP 20 -12.100 -17.731 -0.606 121 HA ASP 20 HA ASP 20 -10.141 -19.059 0.949 122 HB2 ASP 20 HB2 ASP 20 -11.768 -20.246 -0.498 123 HB3 ASP 20 HB1 ASP 20 -10.955 -19.599 -1.916 124 H THR 21 H THR 21 -10.007 -17.116 -2.003 125 HA THR 21 HA THR 21 -7.094 -16.987 -1.687 126 HB THR 21 HB THR 21 -6.976 -17.102 -4.265 127 HG1 THR 21 HG1 THR 21 -9.567 -18.099 -3.703 128 HG21 THR 21 HG21 THR 21 -6.763 -19.550 -4.201 129 HG22 THR 21 HG22 THR 21 -7.579 -19.575 -2.640 130 HG23 THR 21 HG23 THR 21 -6.005 -18.795 -2.799 131 H SER 22 H SER 22 -9.410 -15.061 -1.302 132 HA SER 22 HA SER 22 -8.121 -12.848 -2.638 133 HB2 SER 22 HB2 SER 22 -10.450 -12.030 -3.442 134 HB3 SER 22 HB1 SER 22 -9.592 -13.236 -4.398 135 HG SER 22 HG SER 22 -11.850 -13.537 -2.737 136 H ILE 23 H ILE 23 -8.697 -10.787 -1.814 137 HA ILE 23 HA ILE 23 -10.379 -10.750 0.598 138 HB ILE 23 HB ILE 23 -8.762 -9.421 1.829 139 HG12 ILE 23 HG12 ILE 23 -6.738 -9.935 -0.340 140 HG13 ILE 23 HG11 ILE 23 -7.750 -8.496 -0.350 141 HG21 ILE 23 HG21 ILE 23 -7.491 -11.942 0.781 142 HG22 ILE 23 HG22 ILE 23 -8.650 -11.840 2.104 143 HG23 ILE 23 HG23 ILE 23 -7.055 -11.107 2.271 144 HD11 ILE 23 HD11 ILE 23 -5.687 -9.289 1.678 145 HD12 ILE 23 HD12 ILE 23 -6.846 -7.985 1.934 146 HD13 ILE 23 HD13 ILE 23 -5.690 -7.884 0.607 147 H VAL 24 H VAL 24 -10.915 -8.506 1.254 148 HA VAL 24 HA VAL 24 -10.628 -6.583 -0.961 149 HB VAL 24 HB VAL 24 -12.593 -6.456 1.339 150 HG11 VAL 24 HG11 VAL 24 -12.014 -4.275 0.433 151 HG12 VAL 24 HG12 VAL 24 -13.671 -4.704 0.010 152 HG13 VAL 24 HG13 VAL 24 -12.391 -4.834 -1.196 153 HG21 VAL 24 HG21 VAL 24 -13.090 -8.346 -0.133 154 HG22 VAL 24 HG22 VAL 24 -13.086 -7.264 -1.525 155 HG23 VAL 24 HG23 VAL 24 -14.311 -7.082 -0.269 156 H VAL 25 H VAL 25 -8.797 -5.486 -0.575 157 HA VAL 25 HA VAL 25 -8.209 -4.631 2.161 158 HB VAL 25 HB VAL 25 -6.321 -5.670 1.126 159 HG11 VAL 25 HG11 VAL 25 -6.741 -3.785 -1.179 160 HG12 VAL 25 HG12 VAL 25 -6.891 -5.545 -1.183 161 HG13 VAL 25 HG13 VAL 25 -5.312 -4.795 -0.961 162 HG21 VAL 25 HG21 VAL 25 -5.778 -3.736 2.486 163 HG22 VAL 25 HG22 VAL 25 -5.928 -2.684 1.077 164 HG23 VAL 25 HG23 VAL 25 -4.644 -3.892 1.143 165 H ARG 26 H ARG 26 -8.736 -2.688 2.800 166 HA ARG 26 HA ARG 26 -9.345 -0.653 0.754 167 HB2 ARG 26 HB2 ARG 26 -10.628 -0.821 3.476 168 HB3 ARG 26 HB1 ARG 26 -11.161 0.108 2.080 169 HG2 ARG 26 HG2 ARG 26 -11.632 -2.018 0.903 170 HG3 ARG 26 HG1 ARG 26 -11.216 -2.885 2.381 171 HD2 ARG 26 HD2 ARG 26 -13.574 -2.704 2.347 172 HD3 ARG 26 HD1 ARG 26 -12.997 -1.540 3.538 173 HE ARG 26 HE ARG 26 -13.188 -0.087 1.244 174 HH11 ARG 26 HH11 ARG 26 -15.395 -2.078 3.090 175 HH12 ARG 26 HH12 ARG 26 -16.809 -1.224 2.567 176 HH21 ARG 26 HH21 ARG 26 -15.037 1.041 0.547 177 HH22 ARG 26 HH22 ARG 26 -16.604 0.567 1.125 178 H TRP 27 H TRP 27 -8.502 1.349 1.003 179 HA TRP 27 HA TRP 27 -6.912 1.856 3.429 180 HB2 TRP 27 HB2 TRP 27 -5.208 2.960 1.951 181 HB3 TRP 27 HB1 TRP 27 -5.323 1.216 1.744 182 HD1 TRP 27 HD1 TRP 27 -6.317 4.489 -0.042 183 HE1 TRP 27 HE1 TRP 27 -6.596 3.986 -2.551 184 HE3 TRP 27 HE3 TRP 27 -5.703 -0.585 0.073 185 HZ2 TRP 27 HZ2 TRP 27 -6.544 1.742 -4.254 186 HZ3 TRP 27 HZ3 TRP 27 -5.829 -1.834 -2.042 187 HH2 TRP 27 HH2 TRP 27 -6.240 -0.691 -4.160 188 H SER 28 H SER 28 -6.665 4.045 4.013 189 HA SER 28 HA SER 28 -8.702 5.811 2.859 190 HB2 SER 28 HB2 SER 28 -7.183 6.121 5.462 191 HB3 SER 28 HB1 SER 28 -8.583 7.055 4.937 192 HG SER 28 HG SER 28 -9.240 4.487 4.818 193 H ARG 29 H ARG 29 -7.959 7.207 1.379 194 HA ARG 29 HA ARG 29 -5.147 7.950 1.427 195 HB2 ARG 29 HB2 ARG 29 -5.400 8.713 -0.809 196 HB3 ARG 29 HB1 ARG 29 -6.220 7.168 -0.692 197 HG2 ARG 29 HG2 ARG 29 -7.683 8.409 -1.952 198 HG3 ARG 29 HG1 ARG 29 -8.343 8.616 -0.327 199 HD2 ARG 29 HD2 ARG 29 -7.282 10.755 -0.113 200 HD3 ARG 29 HD1 ARG 29 -6.445 10.541 -1.647 201 HE ARG 29 HE ARG 29 -9.160 10.331 -2.184 202 HH11 ARG 29 HH11 ARG 29 -6.989 12.779 -0.910 203 HH12 ARG 29 HH12 ARG 29 -7.892 14.098 -1.596 204 HH21 ARG 29 HH21 ARG 29 -10.329 12.072 -3.088 205 HH22 ARG 29 HH22 ARG 29 -9.779 13.697 -2.837 206 HA PRO 30 HA PRO 30 -5.742 11.858 3.339 207 HB2 PRO 30 HB2 PRO 30 -3.861 13.335 1.990 208 HB3 PRO 30 HB1 PRO 30 -3.487 12.223 3.311 209 HG2 PRO 30 HG2 PRO 30 -3.304 11.785 0.355 210 HG3 PRO 30 HG1 PRO 30 -2.166 11.306 1.630 211 HD2 PRO 30 HD2 PRO 30 -3.867 9.546 0.542 212 HD3 PRO 30 HD1 PRO 30 -3.455 9.484 2.263 213 H1 MET 31 HT1 MET 31 -16.843 25.339 -5.847 214 H2 MET 31 HT2 MET 31 -16.596 25.693 -7.481 215 H3 MET 31 HT3 MET 31 -18.133 25.244 -6.940 216 HA MET 31 HA MET 31 -17.979 27.619 -7.347 217 HB2 MET 31 HB2 MET 31 -18.285 26.822 -4.444 218 HB3 MET 31 HB1 MET 31 -18.786 28.370 -5.107 219 HG2 MET 31 HG2 MET 31 -20.722 27.040 -4.952 220 HG3 MET 31 HG1 MET 31 -20.295 27.107 -6.658 221 HE1 MET 31 HE1 MET 31 -20.530 24.950 -3.437 222 HE2 MET 31 HE2 MET 31 -18.786 24.927 -3.700 223 HE3 MET 31 HE3 MET 31 -19.727 23.450 -3.902 224 H ARG 32 H ARG 32 -17.006 29.589 -6.965 225 HA ARG 32 HA ARG 32 -15.335 31.058 -6.546 226 HB2 ARG 32 HB2 ARG 32 -15.151 29.335 -4.088 227 HB3 ARG 32 HB1 ARG 32 -14.105 30.727 -4.326 228 HG2 ARG 32 HG2 ARG 32 -17.094 30.951 -4.447 229 HG3 ARG 32 HG1 ARG 32 -16.204 31.060 -2.929 230 HD2 ARG 32 HD2 ARG 32 -16.602 33.280 -3.779 231 HD3 ARG 32 HD1 ARG 32 -14.882 32.917 -3.879 232 HE ARG 32 HE ARG 32 -16.679 32.738 -6.214 233 HH11 ARG 32 HH11 ARG 32 -13.680 33.795 -4.721 234 HH12 ARG 32 HH12 ARG 32 -13.045 34.454 -6.193 235 HH21 ARG 32 HH21 ARG 32 -15.826 33.603 -8.142 236 HH22 ARG 32 HH22 ARG 32 -14.252 34.337 -8.132 237 H GLY 33 H GLY 33 -14.760 28.593 -8.088 238 HA2 GLY 33 HA2 GLY 33 -12.907 27.912 -9.291 239 HA3 GLY 33 HA1 GLY 33 -11.924 28.998 -8.319 240 H SER 34 H SER 34 -11.902 28.211 -5.895 241 HA SER 34 HA SER 34 -11.108 26.730 -4.383 242 HB2 SER 34 HB2 SER 34 -12.429 24.654 -6.150 243 HB3 SER 34 HB1 SER 34 -11.851 24.382 -4.505 244 HG SER 34 HG SER 34 -13.745 26.400 -5.125 245 H ASN 35 H ASN 35 -9.475 27.568 -6.590 246 HA ASN 35 HA ASN 35 -7.951 25.261 -7.419 247 HB2 ASN 35 HB2 ASN 35 -6.551 26.823 -8.649 248 HB3 ASN 35 HB1 ASN 35 -8.245 27.163 -8.963 249 HD21 ASN 35 HD21 ASN 35 -5.788 28.811 -9.153 250 HD22 ASN 35 HD22 ASN 35 -6.121 30.228 -8.218 251 H ALA 36 H ALA 36 -6.208 24.463 -6.478 252 HA ALA 36 HA ALA 36 -4.412 25.949 -4.863 253 HB1 ALA 36 HB1 ALA 36 -4.895 24.918 -2.698 254 HB2 ALA 36 HB2 ALA 36 -6.304 24.115 -3.390 255 HB3 ALA 36 HB3 ALA 36 -6.263 25.873 -3.268 256 HA PRO 37 HA PRO 37 -2.190 22.261 -6.080 257 HB2 PRO 37 HB2 PRO 37 0.214 22.978 -5.061 258 HB3 PRO 37 HB1 PRO 37 -0.424 23.664 -6.559 259 HG2 PRO 37 HG2 PRO 37 -0.408 24.818 -3.802 260 HG3 PRO 37 HG1 PRO 37 -0.081 25.616 -5.350 261 HD2 PRO 37 HD2 PRO 37 -2.465 25.802 -4.047 262 HD3 PRO 37 HD1 PRO 37 -2.312 25.909 -5.809 263 H GLN 38 H GLN 38 -3.670 21.277 -4.391 264 HA GLN 38 HA GLN 38 -2.811 20.987 -1.713 265 HB2 GLN 38 HB2 GLN 38 -4.633 19.242 -3.379 266 HB3 GLN 38 HB1 GLN 38 -4.439 19.113 -1.637 267 HG2 GLN 38 HG2 GLN 38 -5.459 21.542 -3.095 268 HG3 GLN 38 HG1 GLN 38 -6.463 20.345 -2.278 269 HE21 GLN 38 HE21 GLN 38 -4.648 19.991 -0.055 270 HE22 GLN 38 HE22 GLN 38 -4.769 21.417 0.913 271 HA PRO 39 HA PRO 39 0.499 18.148 -2.628 272 HB2 PRO 39 HB2 PRO 39 1.502 17.982 -0.143 273 HB3 PRO 39 HB1 PRO 39 1.680 19.443 -1.121 274 HG2 PRO 39 HG2 PRO 39 -0.253 18.864 1.085 275 HG3 PRO 39 HG1 PRO 39 0.662 20.347 0.759 276 HD2 PRO 39 HD2 PRO 39 -1.967 19.982 0.068 277 HD3 PRO 39 HD1 PRO 39 -0.868 21.094 -0.769 278 H SER 40 H SER 40 -2.054 17.011 -2.442 279 HA SER 40 HA SER 40 -1.380 14.400 -1.407 280 HB2 SER 40 HB2 SER 40 -3.831 15.859 -0.382 281 HB3 SER 40 HB1 SER 40 -3.417 14.179 -0.042 282 HG SER 40 HG SER 40 -1.301 15.582 0.593 283 H HIS 41 H HIS 41 -1.420 14.377 -3.825 284 HA HIS 41 HA HIS 41 -4.119 13.651 -4.736 285 HB2 HIS 41 HB2 HIS 41 -3.490 15.892 -5.650 286 HB3 HIS 41 HB1 HIS 41 -2.087 15.152 -6.410 287 HD1 HIS 41 HD1 HIS 41 -5.719 15.680 -6.837 288 HD2 HIS 41 HD2 HIS 41 -2.716 13.404 -8.589 289 HE1 HIS 41 HE1 HIS 41 -6.666 14.875 -9.024 290 HE2 HIS 41 HE2 HIS 41 -4.898 13.346 -9.966 291 H ILE 42 H ILE 42 -4.007 11.518 -4.998 292 HA ILE 42 HA ILE 42 -1.468 10.266 -5.637 293 HB ILE 42 HB ILE 42 -4.150 9.038 -4.974 294 HG12 ILE 42 HG12 ILE 42 -2.789 8.280 -2.913 295 HG13 ILE 42 HG11 ILE 42 -1.646 9.538 -3.369 296 HG21 ILE 42 HG21 ILE 42 -1.476 7.711 -5.380 297 HG22 ILE 42 HG22 ILE 42 -2.890 7.560 -6.424 298 HG23 ILE 42 HG23 ILE 42 -2.932 6.916 -4.782 299 HD11 ILE 42 HD11 ILE 42 -3.172 10.303 -1.645 300 HD12 ILE 42 HD12 ILE 42 -4.550 9.952 -2.691 301 HD13 ILE 42 HD13 ILE 42 -3.402 11.214 -3.137 302 H SER 43 H SER 43 -0.903 9.479 -7.551 303 HA SER 43 HA SER 43 -2.736 9.768 -9.786 304 HB2 SER 43 HB2 SER 43 0.169 8.917 -9.778 305 HB3 SER 43 HB1 SER 43 -0.778 9.415 -11.179 306 HG SER 43 HG SER 43 -0.998 11.480 -10.150 307 H LYS 44 H LYS 44 -1.048 7.267 -7.984 308 HA LYS 44 HA LYS 44 -2.915 5.278 -8.846 309 HB2 LYS 44 HB2 LYS 44 -1.265 3.735 -9.839 310 HB3 LYS 44 HB1 LYS 44 -1.447 5.206 -10.785 311 HG2 LYS 44 HG2 LYS 44 0.626 6.079 -9.866 312 HG3 LYS 44 HG1 LYS 44 0.795 4.646 -8.847 313 HD2 LYS 44 HD2 LYS 44 0.928 3.243 -10.857 314 HD3 LYS 44 HD1 LYS 44 0.776 4.681 -11.868 315 HE2 LYS 44 HE2 LYS 44 2.859 5.558 -10.974 316 HE3 LYS 44 HE1 LYS 44 3.001 4.175 -9.894 317 HZ1 LYS 44 HZ1 LYS 44 4.382 3.943 -11.871 318 HZ2 LYS 44 HZ2 LYS 44 3.011 4.031 -12.858 319 HZ3 LYS 44 HZ3 LYS 44 3.208 2.730 -11.795 320 H TYR 45 H TYR 45 -2.962 3.520 -7.494 321 HA TYR 45 HA TYR 45 -1.092 3.563 -5.212 322 HB2 TYR 45 HB2 TYR 45 -3.706 2.051 -5.439 323 HB3 TYR 45 HB1 TYR 45 -2.735 2.271 -3.993 324 HD1 TYR 45 HD1 TYR 45 -2.761 4.417 -2.798 325 HD2 TYR 45 HD2 TYR 45 -5.190 3.763 -6.227 326 HE1 TYR 45 HE1 TYR 45 -4.129 6.370 -2.197 327 HE2 TYR 45 HE2 TYR 45 -6.558 5.714 -5.639 328 HH TYR 45 HH TYR 45 -7.125 7.031 -3.671 329 H ILE 46 H ILE 46 0.420 1.975 -5.144 330 HA ILE 46 HA ILE 46 -0.007 -0.357 -6.880 331 HB ILE 46 HB ILE 46 2.544 0.709 -5.656 332 HG12 ILE 46 HG12 ILE 46 3.207 0.741 -8.131 333 HG13 ILE 46 HG11 ILE 46 1.499 0.514 -8.481 334 HG21 ILE 46 HG21 ILE 46 2.165 -1.790 -7.298 335 HG22 ILE 46 HG22 ILE 46 2.555 -1.729 -5.580 336 HG23 ILE 46 HG23 ILE 46 3.709 -1.123 -6.768 337 HD11 ILE 46 HD11 ILE 46 2.731 2.830 -7.014 338 HD12 ILE 46 HD12 ILE 46 1.004 2.601 -7.290 339 HD13 ILE 46 HD13 ILE 46 2.091 2.839 -8.657 340 H LEU 47 H LEU 47 -0.733 -2.116 -5.965 341 HA LEU 47 HA LEU 47 -0.352 -2.531 -3.090 342 HB2 LEU 47 HB2 LEU 47 -2.587 -2.792 -4.511 343 HB3 LEU 47 HB1 LEU 47 -1.931 -4.381 -4.833 344 HG LEU 47 HG LEU 47 -3.499 -4.530 -3.019 345 HD11 LEU 47 HD11 LEU 47 -0.664 -4.762 -2.043 346 HD12 LEU 47 HD12 LEU 47 -1.642 -6.015 -2.806 347 HD13 LEU 47 HD13 LEU 47 -2.073 -5.417 -1.208 348 HD21 LEU 47 HD21 LEU 47 -3.420 -2.203 -2.291 349 HD22 LEU 47 HD22 LEU 47 -1.827 -2.478 -1.585 350 HD23 LEU 47 HD23 LEU 47 -3.236 -3.318 -0.937 351 H ARG 48 H ARG 48 1.428 -3.597 -2.560 352 HA ARG 48 HA ARG 48 2.356 -5.774 -4.318 353 HB2 ARG 48 HB2 ARG 48 3.826 -3.841 -2.563 354 HB3 ARG 48 HB1 ARG 48 4.537 -5.407 -2.925 355 HG2 ARG 48 HG2 ARG 48 4.546 -4.930 -5.247 356 HG3 ARG 48 HG1 ARG 48 3.617 -3.450 -5.006 357 HD2 ARG 48 HD2 ARG 48 5.470 -2.498 -3.729 358 HD3 ARG 48 HD1 ARG 48 6.392 -3.986 -3.950 359 HE ARG 48 HE ARG 48 5.760 -3.203 -6.474 360 HH11 ARG 48 HH11 ARG 48 7.332 -1.604 -3.788 361 HH12 ARG 48 HH12 ARG 48 8.388 -0.673 -4.801 362 HH21 ARG 48 HH21 ARG 48 7.144 -2.009 -7.808 363 HH22 ARG 48 HH22 ARG 48 8.290 -0.908 -7.097 364 H TRP 49 H TRP 49 2.173 -7.780 -3.550 365 HA TRP 49 HA TRP 49 2.326 -8.141 -0.647 366 HB2 TRP 49 HB2 TRP 49 0.502 -9.728 -0.626 367 HB3 TRP 49 HB1 TRP 49 -0.060 -8.195 -1.276 368 HD1 TRP 49 HD1 TRP 49 0.227 -11.845 -2.096 369 HE1 TRP 49 HE1 TRP 49 -0.841 -12.298 -4.392 370 HE3 TRP 49 HE3 TRP 49 -0.337 -7.027 -3.697 371 HZ2 TRP 49 HZ2 TRP 49 -1.787 -10.814 -6.593 372 HZ3 TRP 49 HZ3 TRP 49 -1.335 -6.627 -5.908 373 HH2 TRP 49 HH2 TRP 49 -2.044 -8.481 -7.325 374 H ARG 50 H ARG 50 3.224 -10.020 0.063 375 HA ARG 50 HA ARG 50 4.142 -12.026 -1.831 376 HB2 ARG 50 HB2 ARG 50 5.881 -10.244 -1.882 377 HB3 ARG 50 HB1 ARG 50 6.082 -10.422 -0.146 378 HG2 ARG 50 HG2 ARG 50 6.750 -12.789 -0.536 379 HG3 ARG 50 HG1 ARG 50 6.710 -12.457 -2.269 380 HD2 ARG 50 HD2 ARG 50 8.974 -12.254 -1.460 381 HD3 ARG 50 HD1 ARG 50 8.370 -10.666 -1.933 382 HE ARG 50 HE ARG 50 7.952 -11.164 0.843 383 HH11 ARG 50 HH11 ARG 50 10.396 -10.242 -1.491 384 HH12 ARG 50 HH12 ARG 50 11.342 -9.360 -0.335 385 HH21 ARG 50 HH21 ARG 50 9.189 -10.025 2.371 386 HH22 ARG 50 HH22 ARG 50 10.661 -9.237 1.862 387 HA PRO 51 HA PRO 51 3.227 -14.361 1.863 388 HB2 PRO 51 HB2 PRO 51 4.232 -16.754 1.046 389 HB3 PRO 51 HB1 PRO 51 2.676 -16.120 0.499 390 HG2 PRO 51 HG2 PRO 51 5.328 -16.084 -0.883 391 HG3 PRO 51 HG1 PRO 51 3.721 -16.415 -1.552 392 HD2 PRO 51 HD2 PRO 51 4.959 -14.023 -1.834 393 HD3 PRO 51 HD1 PRO 51 3.195 -14.181 -1.726 394 H LYS 52 H LYS 52 4.291 -15.019 3.678 395 HA LYS 52 HA LYS 52 6.881 -14.005 4.109 396 HB2 LYS 52 HB2 LYS 52 4.966 -15.648 5.685 397 HB3 LYS 52 HB1 LYS 52 6.608 -15.460 6.280 398 HG2 LYS 52 HG2 LYS 52 4.701 -13.212 5.661 399 HG3 LYS 52 HG1 LYS 52 5.061 -13.841 7.269 400 HD2 LYS 52 HD2 LYS 52 7.022 -12.530 5.384 401 HD3 LYS 52 HD1 LYS 52 6.329 -11.809 6.835 402 HE2 LYS 52 HE2 LYS 52 8.132 -14.227 6.732 403 HE3 LYS 52 HE1 LYS 52 8.590 -12.609 7.252 404 HZ1 LYS 52 HZ1 LYS 52 7.027 -12.789 9.082 405 HZ2 LYS 52 HZ2 LYS 52 8.144 -14.055 9.132 406 HZ3 LYS 52 HZ3 LYS 52 6.573 -14.336 8.578 407 H ASN 53 H ASN 53 5.855 -17.053 2.945 408 HA ASN 53 HA ASN 53 8.262 -18.452 3.690 409 HB2 ASN 53 HB2 ASN 53 7.379 -20.271 2.282 410 HB3 ASN 53 HB1 ASN 53 6.171 -19.695 3.426 411 HD21 ASN 53 HD21 ASN 53 7.125 -19.843 0.109 412 HD22 ASN 53 HD22 ASN 53 5.621 -19.329 -0.565 413 H SER 54 H SER 54 7.597 -16.101 1.472 414 HA SER 54 HA SER 54 9.847 -16.950 -0.221 415 HB2 SER 54 HB2 SER 54 7.433 -15.349 -1.109 416 HB3 SER 54 HB1 SER 54 8.787 -15.839 -2.125 417 HG SER 54 HG SER 54 8.083 -18.072 -1.289 418 H VAL 55 H VAL 55 11.523 -15.578 -0.148 419 HA VAL 55 HA VAL 55 11.060 -12.840 0.779 420 HB VAL 55 HB VAL 55 12.731 -14.358 1.940 421 HG11 VAL 55 HG11 VAL 55 13.689 -15.410 -0.035 422 HG12 VAL 55 HG12 VAL 55 14.933 -14.616 0.930 423 HG13 VAL 55 HG13 VAL 55 14.349 -13.859 -0.552 424 HG21 VAL 55 HG21 VAL 55 14.399 -12.581 2.207 425 HG22 VAL 55 HG22 VAL 55 12.743 -11.975 2.272 426 HG23 VAL 55 HG23 VAL 55 13.708 -11.748 0.814 427 H GLY 56 H GLY 56 10.874 -14.289 -1.993 428 HA2 GLY 56 HA2 GLY 56 12.828 -12.866 -3.577 429 HA3 GLY 56 HA1 GLY 56 11.619 -13.990 -4.170 430 H ARG 57 H ARG 57 10.066 -13.138 -5.371 431 HA ARG 57 HA ARG 57 10.101 -10.258 -5.715 432 HB2 ARG 57 HB2 ARG 57 8.793 -12.469 -7.294 433 HB3 ARG 57 HB1 ARG 57 8.654 -10.765 -7.700 434 HG2 ARG 57 HG2 ARG 57 11.110 -10.663 -7.947 435 HG3 ARG 57 HG1 ARG 57 11.181 -12.401 -7.644 436 HD2 ARG 57 HD2 ARG 57 9.829 -12.833 -9.598 437 HD3 ARG 57 HD1 ARG 57 9.613 -11.106 -9.868 438 HE ARG 57 HE ARG 57 12.354 -12.065 -9.871 439 HH11 ARG 57 HH11 ARG 57 9.528 -11.196 -11.747 440 HH12 ARG 57 HH12 ARG 57 10.420 -10.959 -13.214 441 HH21 ARG 57 HH21 ARG 57 13.531 -11.757 -11.813 442 HH22 ARG 57 HH22 ARG 57 12.693 -11.283 -13.253 443 H TRP 58 H TRP 58 8.396 -8.896 -5.565 444 HA TRP 58 HA TRP 58 6.080 -9.779 -4.024 445 HB2 TRP 58 HB2 TRP 58 6.905 -7.016 -4.957 446 HB3 TRP 58 HB1 TRP 58 5.523 -7.366 -3.930 447 HD1 TRP 58 HD1 TRP 58 9.385 -7.616 -3.829 448 HE1 TRP 58 HE1 TRP 58 10.128 -7.337 -1.382 449 HE3 TRP 58 HE3 TRP 58 4.786 -7.413 -1.606 450 HZ2 TRP 58 HZ2 TRP 58 8.924 -7.063 1.149 451 HZ3 TRP 58 HZ3 TRP 58 4.671 -7.137 0.837 452 HH2 TRP 58 HH2 TRP 58 6.700 -6.967 2.185 453 H LYS 59 H LYS 59 3.986 -9.740 -4.825 454 HA LYS 59 HA LYS 59 3.695 -9.516 -7.704 455 HB2 LYS 59 HB2 LYS 59 1.571 -10.036 -5.611 456 HB3 LYS 59 HB1 LYS 59 1.404 -10.254 -7.347 457 HG2 LYS 59 HG2 LYS 59 3.196 -11.985 -7.225 458 HG3 LYS 59 HG1 LYS 59 3.129 -11.841 -5.468 459 HD2 LYS 59 HD2 LYS 59 0.716 -12.413 -5.566 460 HD3 LYS 59 HD1 LYS 59 0.886 -12.676 -7.302 461 HE2 LYS 59 HE2 LYS 59 2.305 -14.177 -5.109 462 HE3 LYS 59 HE1 LYS 59 0.994 -14.784 -6.117 463 HZ1 LYS 59 HZ1 LYS 59 2.451 -14.526 -8.052 464 HZ2 LYS 59 HZ2 LYS 59 3.099 -15.592 -6.913 465 HZ3 LYS 59 HZ3 LYS 59 3.712 -14.021 -7.043 466 H GLU 60 H GLU 60 2.826 -7.798 -8.756 467 HA GLU 60 HA GLU 60 2.172 -5.484 -7.057 468 HB2 GLU 60 HB2 GLU 60 3.553 -5.535 -9.743 469 HB3 GLU 60 HB1 GLU 60 3.102 -4.076 -8.874 470 HG2 GLU 60 HG2 GLU 60 4.585 -4.700 -7.048 471 HG3 GLU 60 HG1 GLU 60 5.038 -6.167 -7.909 472 H ALA 61 H ALA 61 0.239 -4.642 -7.275 473 HA ALA 61 HA ALA 61 -1.086 -4.786 -9.901 474 HB1 ALA 61 HB1 ALA 61 -2.191 -6.332 -8.356 475 HB2 ALA 61 HB2 ALA 61 -3.245 -4.983 -8.779 476 HB3 ALA 61 HB3 ALA 61 -2.437 -5.014 -7.212 477 H THR 62 H THR 62 -1.640 -2.837 -10.685 478 HA THR 62 HA THR 62 -1.299 -0.533 -8.916 479 HB THR 62 HB THR 62 -1.464 -0.613 -11.936 480 HG1 THR 62 HG1 THR 62 0.453 -1.571 -10.765 481 HG21 THR 62 HG21 THR 62 -0.685 1.615 -10.052 482 HG22 THR 62 HG22 THR 62 -2.163 1.540 -11.012 483 HG23 THR 62 HG23 THR 62 -0.597 1.679 -11.812 484 H ILE 63 H ILE 63 -2.960 0.569 -8.206 485 HA ILE 63 HA ILE 63 -5.597 0.189 -9.465 486 HB ILE 63 HB ILE 63 -4.935 1.036 -6.632 487 HG12 ILE 63 HG12 ILE 63 -6.279 -1.199 -6.229 488 HG13 ILE 63 HG11 ILE 63 -5.714 -1.583 -7.849 489 HG21 ILE 63 HG21 ILE 63 -7.314 0.888 -6.188 490 HG22 ILE 63 HG22 ILE 63 -7.616 0.456 -7.870 491 HG23 ILE 63 HG23 ILE 63 -6.997 2.058 -7.470 492 HD11 ILE 63 HD11 ILE 63 -3.977 -0.912 -5.485 493 HD12 ILE 63 HD12 ILE 63 -3.406 -1.292 -7.111 494 HD13 ILE 63 HD13 ILE 63 -4.249 -2.518 -6.162 495 HA PRO 64 HA PRO 64 -5.444 4.406 -10.957 496 HB2 PRO 64 HB2 PRO 64 -8.354 4.218 -10.292 497 HB3 PRO 64 HB1 PRO 64 -7.571 4.812 -11.765 498 HG2 PRO 64 HG2 PRO 64 -8.687 2.404 -11.715 499 HG3 PRO 64 HG1 PRO 64 -7.152 2.670 -12.563 500 HD2 PRO 64 HD2 PRO 64 -7.675 1.332 -9.954 501 HD3 PRO 64 HD1 PRO 64 -6.437 0.982 -11.177 502 H GLY 65 H GLY 65 -5.256 6.386 -10.034 503 HA2 GLY 65 HA2 GLY 65 -5.226 6.500 -7.179 504 HA3 GLY 65 HA1 GLY 65 -4.801 7.798 -8.278 505 H HIS 66 H HIS 66 -7.812 6.018 -7.689 506 HA HIS 66 HA HIS 66 -9.003 8.215 -6.298 507 HB2 HIS 66 HB2 HIS 66 -10.903 8.531 -7.882 508 HB3 HIS 66 HB1 HIS 66 -9.365 9.104 -8.511 509 HD1 HIS 66 HD1 HIS 66 -8.661 8.221 -10.735 510 HD2 HIS 66 HD2 HIS 66 -11.748 5.999 -9.066 511 HE1 HIS 66 HE1 HIS 66 -9.417 6.656 -12.544 512 HE2 HIS 66 HE2 HIS 66 -11.389 5.429 -11.563 513 H LEU 67 H LEU 67 -8.451 5.179 -6.440 514 HA LEU 67 HA LEU 67 -11.133 4.358 -5.556 515 HB2 LEU 67 HB2 LEU 67 -8.850 2.624 -6.511 516 HB3 LEU 67 HB1 LEU 67 -10.401 2.037 -5.948 517 HG LEU 67 HG LEU 67 -9.875 3.631 -8.457 518 HD11 LEU 67 HD11 LEU 67 -9.272 1.295 -8.631 519 HD12 LEU 67 HD12 LEU 67 -10.720 1.630 -9.577 520 HD13 LEU 67 HD13 LEU 67 -10.853 0.820 -8.017 521 HD21 LEU 67 HD21 LEU 67 -11.980 4.349 -7.472 522 HD22 LEU 67 HD22 LEU 67 -12.497 2.671 -7.316 523 HD23 LEU 67 HD23 LEU 67 -12.271 3.379 -8.915 524 H ASN 68 H ASN 68 -11.170 2.913 -3.665 525 HA ASN 68 HA ASN 68 -8.912 3.498 -1.870 526 HB2 ASN 68 HB2 ASN 68 -11.852 3.839 -1.396 527 HB3 ASN 68 HB1 ASN 68 -10.756 3.560 -0.047 528 HD21 ASN 68 HD21 ASN 68 -9.300 5.120 0.535 529 HD22 ASN 68 HD22 ASN 68 -9.404 6.751 -0.049 530 H SER 69 H SER 69 -10.423 1.042 -3.366 531 HA SER 69 HA SER 69 -9.513 -0.821 -1.342 532 HB2 SER 69 HB2 SER 69 -11.645 -2.124 -1.423 533 HB3 SER 69 HB1 SER 69 -11.809 -0.545 -0.657 534 HG SER 69 HG SER 69 -12.516 0.188 -2.814 535 H TYR 70 H TYR 70 -9.073 -2.890 -2.128 536 HA TYR 70 HA TYR 70 -9.500 -3.369 -4.980 537 HB2 TYR 70 HB2 TYR 70 -7.284 -2.329 -4.813 538 HB3 TYR 70 HB1 TYR 70 -6.798 -3.532 -3.626 539 HD1 TYR 70 HD1 TYR 70 -8.143 -3.346 -7.110 540 HD2 TYR 70 HD2 TYR 70 -5.586 -5.351 -4.366 541 HE1 TYR 70 HE1 TYR 70 -7.339 -4.794 -8.928 542 HE2 TYR 70 HE2 TYR 70 -4.773 -6.805 -6.174 543 HH TYR 70 HH TYR 70 -5.340 -6.165 -9.446 544 H THR 71 H THR 71 -9.922 -5.459 -5.445 545 HA THR 71 HA THR 71 -9.938 -7.355 -3.236 546 HB THR 71 HB THR 71 -11.034 -7.668 -6.042 547 HG1 THR 71 HG1 THR 71 -12.869 -7.481 -4.038 548 HG21 THR 71 HG21 THR 71 -10.577 -9.808 -4.946 549 HG22 THR 71 HG22 THR 71 -12.313 -9.531 -5.081 550 HG23 THR 71 HG23 THR 71 -11.499 -9.291 -3.535 551 H ILE 72 H ILE 72 -7.933 -8.149 -2.938 552 HA ILE 72 HA ILE 72 -6.136 -8.690 -5.115 553 HB ILE 72 HB ILE 72 -5.887 -9.544 -2.226 554 HG12 ILE 72 HG12 ILE 72 -4.793 -7.091 -3.621 555 HG13 ILE 72 HG11 ILE 72 -6.076 -7.103 -2.414 556 HG21 ILE 72 HG21 ILE 72 -3.831 -9.325 -4.421 557 HG22 ILE 72 HG22 ILE 72 -4.458 -10.816 -3.720 558 HG23 ILE 72 HG23 ILE 72 -3.491 -9.717 -2.737 559 HD11 ILE 72 HD11 ILE 72 -4.096 -6.430 -1.314 560 HD12 ILE 72 HD12 ILE 72 -3.171 -7.752 -2.031 561 HD13 ILE 72 HD13 ILE 72 -4.404 -8.096 -0.819 562 H LYS 73 H LYS 73 -6.342 -10.404 -6.379 563 HA LYS 73 HA LYS 73 -7.427 -12.885 -5.250 564 HB2 LYS 73 HB2 LYS 73 -7.097 -11.964 -8.109 565 HB3 LYS 73 HB1 LYS 73 -7.616 -13.583 -7.659 566 HG2 LYS 73 HG2 LYS 73 -9.599 -12.720 -6.623 567 HG3 LYS 73 HG1 LYS 73 -9.059 -11.060 -6.882 568 HD2 LYS 73 HD2 LYS 73 -9.196 -11.359 -9.283 569 HD3 LYS 73 HD1 LYS 73 -9.631 -13.056 -9.071 570 HE2 LYS 73 HE2 LYS 73 -11.252 -10.755 -8.000 571 HE3 LYS 73 HE1 LYS 73 -11.554 -11.529 -9.555 572 HZ1 LYS 73 HZ1 LYS 73 -11.971 -13.604 -8.426 573 HZ2 LYS 73 HZ2 LYS 73 -12.972 -12.404 -7.786 574 HZ3 LYS 73 HZ3 LYS 73 -11.611 -12.911 -6.925 575 H GLY 74 H GLY 74 -6.184 -14.636 -5.020 576 HA2 GLY 74 HA2 GLY 74 -4.383 -16.043 -5.891 577 HA3 GLY 74 HA1 GLY 74 -3.492 -14.568 -6.237 578 H LEU 75 H LEU 75 -5.287 -14.963 -3.285 579 HA LEU 75 HA LEU 75 -2.753 -15.046 -1.804 580 HB2 LEU 75 HB2 LEU 75 -5.531 -14.237 -0.945 581 HB3 LEU 75 HB1 LEU 75 -4.159 -14.337 0.141 582 HG LEU 75 HG LEU 75 -4.369 -12.476 -2.230 583 HD11 LEU 75 HD11 LEU 75 -5.898 -11.854 -0.456 584 HD12 LEU 75 HD12 LEU 75 -4.552 -10.719 -0.539 585 HD13 LEU 75 HD13 LEU 75 -4.593 -11.947 0.726 586 HD21 LEU 75 HD21 LEU 75 -2.071 -13.102 -1.789 587 HD22 LEU 75 HD22 LEU 75 -2.277 -12.737 -0.075 588 HD23 LEU 75 HD23 LEU 75 -2.357 -11.441 -1.270 589 H LYS 76 H LYS 76 -2.167 -16.878 -0.867 590 HA LYS 76 HA LYS 76 -3.875 -19.168 -0.885 591 HB2 LYS 76 HB2 LYS 76 -1.152 -18.689 0.329 592 HB3 LYS 76 HB1 LYS 76 -1.964 -20.248 0.335 593 HG2 LYS 76 HG2 LYS 76 -1.915 -20.336 -2.072 594 HG3 LYS 76 HG1 LYS 76 -1.237 -18.708 -2.147 595 HD2 LYS 76 HD2 LYS 76 0.781 -19.448 -1.057 596 HD3 LYS 76 HD1 LYS 76 0.097 -21.053 -0.801 597 HE2 LYS 76 HE2 LYS 76 1.667 -21.019 -2.681 598 HE3 LYS 76 HE1 LYS 76 0.034 -21.433 -3.198 599 HZ1 LYS 76 HZ1 LYS 76 1.130 -19.850 -4.692 600 HZ2 LYS 76 HZ2 LYS 76 1.249 -18.734 -3.428 601 HZ3 LYS 76 HZ3 LYS 76 -0.271 -19.200 -4.002 602 HA PRO 77 HA PRO 77 -5.805 -18.431 3.047 603 HB2 PRO 77 HB2 PRO 77 -7.026 -20.837 3.299 604 HB3 PRO 77 HB1 PRO 77 -7.606 -19.581 2.198 605 HG2 PRO 77 HG2 PRO 77 -5.971 -22.014 1.605 606 HG3 PRO 77 HG1 PRO 77 -7.313 -21.312 0.685 607 HD2 PRO 77 HD2 PRO 77 -4.698 -20.954 0.019 608 HD3 PRO 77 HD1 PRO 77 -5.966 -19.766 -0.342 609 H GLY 78 H GLY 78 -4.679 -18.428 4.873 610 HA2 GLY 78 HA2 GLY 78 -3.839 -19.432 6.822 611 HA3 GLY 78 HA1 GLY 78 -3.716 -20.956 5.955 612 H VAL 79 H VAL 79 -2.489 -18.209 4.355 613 HA VAL 79 HA VAL 79 0.256 -18.882 5.187 614 HB VAL 79 HB VAL 79 -0.703 -18.011 2.450 615 HG11 VAL 79 HG11 VAL 79 2.099 -18.530 3.424 616 HG12 VAL 79 HG12 VAL 79 1.435 -16.966 2.949 617 HG13 VAL 79 HG13 VAL 79 1.635 -18.244 1.748 618 HG21 VAL 79 HG21 VAL 79 -1.109 -20.358 2.874 619 HG22 VAL 79 HG22 VAL 79 0.557 -20.570 3.414 620 HG23 VAL 79 HG23 VAL 79 0.222 -20.174 1.729 621 H VAL 80 H VAL 80 1.392 -17.239 6.029 622 HA VAL 80 HA VAL 80 0.139 -14.691 6.364 623 HB VAL 80 HB VAL 80 2.971 -15.470 7.061 624 HG11 VAL 80 HG11 VAL 80 1.212 -13.220 8.036 625 HG12 VAL 80 HG12 VAL 80 2.651 -13.069 7.027 626 HG13 VAL 80 HG13 VAL 80 2.797 -13.630 8.692 627 HG21 VAL 80 HG21 VAL 80 2.088 -15.865 9.329 628 HG22 VAL 80 HG22 VAL 80 1.407 -16.977 8.140 629 HG23 VAL 80 HG23 VAL 80 0.453 -15.611 8.720 630 H TYR 81 H TYR 81 0.392 -12.880 5.247 631 HA TYR 81 HA TYR 81 2.404 -12.868 3.095 632 HB2 TYR 81 HB2 TYR 81 -0.448 -11.935 3.138 633 HB3 TYR 81 HB1 TYR 81 0.702 -11.201 2.030 634 HD1 TYR 81 HD1 TYR 81 -0.989 -14.366 2.929 635 HD2 TYR 81 HD2 TYR 81 1.398 -12.325 0.062 636 HE1 TYR 81 HE1 TYR 81 -1.389 -16.178 1.314 637 HE2 TYR 81 HE2 TYR 81 1.009 -14.132 -1.558 638 HH TYR 81 HH TYR 81 0.370 -16.435 -1.636 639 H GLU 82 H GLU 82 3.484 -10.985 2.657 640 HA GLU 82 HA GLU 82 3.204 -8.776 4.581 641 HB2 GLU 82 HB2 GLU 82 5.306 -9.176 2.436 642 HB3 GLU 82 HB1 GLU 82 5.333 -7.979 3.720 643 HG2 GLU 82 HG2 GLU 82 5.583 -9.746 5.374 644 HG3 GLU 82 HG1 GLU 82 5.531 -10.957 4.092 645 H GLY 83 H GLY 83 2.486 -6.773 3.888 646 HA2 GLY 83 HA2 GLY 83 1.884 -6.538 1.009 647 HA3 GLY 83 HA1 GLY 83 0.688 -6.125 2.229 648 H GLN 84 H GLN 84 2.114 -4.582 0.083 649 HA GLN 84 HA GLN 84 2.781 -2.291 1.800 650 HB2 GLN 84 HB2 GLN 84 4.266 -3.077 -0.715 651 HB3 GLN 84 HB1 GLN 84 4.532 -1.606 0.205 652 HG2 GLN 84 HG2 GLN 84 5.244 -2.970 2.124 653 HG3 GLN 84 HG1 GLN 84 5.039 -4.420 1.140 654 HE21 GLN 84 HE21 GLN 84 6.458 -4.802 -0.569 655 HE22 GLN 84 HE22 GLN 84 7.987 -3.999 -0.688 656 H LEU 85 H LEU 85 1.443 -0.673 1.369 657 HA LEU 85 HA LEU 85 0.248 -0.474 -1.306 658 HB2 LEU 85 HB2 LEU 85 -1.225 -0.505 0.742 659 HB3 LEU 85 HB1 LEU 85 -0.498 1.010 1.224 660 HG LEU 85 HG LEU 85 -2.786 1.146 0.146 661 HD11 LEU 85 HD11 LEU 85 -2.280 3.142 -1.133 662 HD12 LEU 85 HD12 LEU 85 -0.573 2.700 -1.171 663 HD13 LEU 85 HD13 LEU 85 -1.347 3.097 0.364 664 HD21 LEU 85 HD21 LEU 85 -2.905 1.052 -2.278 665 HD22 LEU 85 HD22 LEU 85 -2.414 -0.506 -1.616 666 HD23 LEU 85 HD23 LEU 85 -1.216 0.553 -2.357 667 H ILE 86 H ILE 86 1.538 0.679 -2.620 668 HA ILE 86 HA ILE 86 2.951 3.003 -1.500 669 HB ILE 86 HB ILE 86 3.406 1.780 -4.228 670 HG12 ILE 86 HG12 ILE 86 5.603 1.004 -3.013 671 HG13 ILE 86 HG11 ILE 86 4.610 1.110 -1.565 672 HG21 ILE 86 HG21 ILE 86 5.490 3.033 -4.180 673 HG22 ILE 86 HG22 ILE 86 5.106 3.639 -2.569 674 HG23 ILE 86 HG23 ILE 86 4.114 4.114 -3.950 675 HD11 ILE 86 HD11 ILE 86 4.088 -0.612 -3.976 676 HD12 ILE 86 HD12 ILE 86 3.021 -0.469 -2.578 677 HD13 ILE 86 HD13 ILE 86 4.635 -1.147 -2.388 678 H SER 87 H SER 87 1.750 4.780 -1.631 679 HA SER 87 HA SER 87 0.021 5.213 -3.934 680 HB2 SER 87 HB2 SER 87 0.483 6.925 -1.485 681 HB3 SER 87 HB1 SER 87 -0.751 7.200 -2.713 682 HG SER 87 HG SER 87 -0.789 4.670 -1.680 683 H ILE 88 H ILE 88 0.940 5.978 -5.710 684 HA ILE 88 HA ILE 88 3.261 7.731 -5.537 685 HB ILE 88 HB ILE 88 1.820 6.701 -7.989 686 HG12 ILE 88 HG12 ILE 88 2.811 4.874 -6.693 687 HG13 ILE 88 HG11 ILE 88 3.688 5.120 -8.197 688 HG21 ILE 88 HG21 ILE 88 4.493 8.073 -7.706 689 HG22 ILE 88 HG22 ILE 88 3.038 8.752 -8.435 690 HG23 ILE 88 HG23 ILE 88 3.849 7.383 -9.196 691 HD11 ILE 88 HD11 ILE 88 4.546 6.051 -5.469 692 HD12 ILE 88 HD12 ILE 88 5.425 6.330 -6.972 693 HD13 ILE 88 HD13 ILE 88 5.208 4.687 -6.369 694 H GLN 89 H GLN 89 2.755 9.750 -5.010 695 HA GLN 89 HA GLN 89 0.302 10.966 -5.943 696 HB2 GLN 89 HB2 GLN 89 2.521 11.857 -4.124 697 HB3 GLN 89 HB1 GLN 89 1.262 12.965 -4.652 698 HG2 GLN 89 HG2 GLN 89 -0.437 11.596 -3.635 699 HG3 GLN 89 HG1 GLN 89 0.757 10.367 -3.218 700 HE21 GLN 89 HE21 GLN 89 2.056 10.660 -1.457 701 HE22 GLN 89 HE22 GLN 89 1.827 11.938 -0.304 702 H GLN 90 H GLN 90 0.190 12.883 -7.089 703 HA GLN 90 HA GLN 90 1.429 12.806 -9.546 704 HB2 GLN 90 HB2 GLN 90 -0.727 13.912 -9.003 705 HB3 GLN 90 HB1 GLN 90 0.164 15.219 -8.241 706 HG2 GLN 90 HG2 GLN 90 1.278 15.607 -10.461 707 HG3 GLN 90 HG1 GLN 90 0.119 14.468 -11.149 708 HE21 GLN 90 HE21 GLN 90 0.574 17.590 -9.725 709 HE22 GLN 90 HE22 GLN 90 -0.967 18.245 -10.163 710 H TYR 91 H TYR 91 2.537 14.348 -6.667 711 HA TYR 91 HA TYR 91 4.345 16.151 -8.028 712 HB2 TYR 91 HB2 TYR 91 4.056 15.528 -5.079 713 HB3 TYR 91 HB1 TYR 91 4.986 16.856 -5.766 714 HD1 TYR 91 HD1 TYR 91 1.560 15.534 -5.301 715 HD2 TYR 91 HD2 TYR 91 3.936 18.895 -6.377 716 HE1 TYR 91 HE1 TYR 91 -0.437 16.962 -5.229 717 HE2 TYR 91 HE2 TYR 91 1.942 20.331 -6.307 718 HH TYR 91 HH TYR 91 -1.047 19.265 -4.991 719 H GLY 92 H GLY 92 4.451 12.987 -7.776 720 HA2 GLY 92 HA2 GLY 92 6.205 11.499 -8.054 721 HA3 GLY 92 HA1 GLY 92 7.333 12.832 -7.823 722 H HIS 93 H HIS 93 4.913 12.563 -5.483 723 HA HIS 93 HA HIS 93 6.899 11.855 -3.485 724 HB2 HIS 93 HB2 HIS 93 5.375 13.836 -3.218 725 HB3 HIS 93 HB1 HIS 93 4.023 12.719 -3.100 726 HD1 HIS 93 HD1 HIS 93 6.567 14.380 -1.098 727 HD2 HIS 93 HD2 HIS 93 4.192 10.998 -0.768 728 HE1 HIS 93 HE1 HIS 93 6.615 13.760 1.336 729 HE2 HIS 93 HE2 HIS 93 5.338 11.588 1.463 730 H GLN 94 H GLN 94 7.076 9.847 -2.717 731 HA GLN 94 HA GLN 94 4.901 7.949 -3.291 732 HB2 GLN 94 HB2 GLN 94 7.801 7.363 -2.672 733 HB3 GLN 94 HB1 GLN 94 6.584 6.198 -3.174 734 HG2 GLN 94 HG2 GLN 94 6.411 7.289 -5.337 735 HG3 GLN 94 HG1 GLN 94 7.601 8.486 -4.837 736 HE21 GLN 94 HE21 GLN 94 7.683 6.603 -7.048 737 HE22 GLN 94 HE22 GLN 94 9.101 5.645 -6.814 738 H GLU 95 H GLU 95 3.699 7.331 -1.616 739 HA GLU 95 HA GLU 95 5.000 7.164 1.022 740 HB2 GLU 95 HB2 GLU 95 2.127 7.731 0.303 741 HB3 GLU 95 HB1 GLU 95 2.612 7.233 1.918 742 HG2 GLU 95 HG2 GLU 95 3.448 9.716 0.453 743 HG3 GLU 95 HG1 GLU 95 2.420 9.609 1.880 744 H VAL 96 H VAL 96 5.411 5.182 1.656 745 HA VAL 96 HA VAL 96 3.869 2.972 0.492 746 HB VAL 96 HB VAL 96 6.565 2.878 1.860 747 HG11 VAL 96 HG11 VAL 96 5.383 0.785 2.073 748 HG12 VAL 96 HG12 VAL 96 6.693 0.607 0.907 749 HG13 VAL 96 HG13 VAL 96 5.030 0.769 0.346 750 HG21 VAL 96 HG21 VAL 96 6.751 4.089 -0.220 751 HG22 VAL 96 HG22 VAL 96 5.870 2.824 -1.077 752 HG23 VAL 96 HG23 VAL 96 7.467 2.488 -0.407 753 H THR 97 H THR 97 2.283 2.299 1.777 754 HA THR 97 HA THR 97 2.701 2.317 4.682 755 HB THR 97 HB THR 97 0.134 1.810 3.161 756 HG1 THR 97 HG1 THR 97 -0.147 4.072 4.291 757 HG21 THR 97 HG21 THR 97 0.107 0.864 5.398 758 HG22 THR 97 HG22 THR 97 -0.916 2.301 5.349 759 HG23 THR 97 HG23 THR 97 0.689 2.384 6.076 760 H ARG 98 H ARG 98 3.536 0.512 5.463 761 HA ARG 98 HA ARG 98 3.234 -1.987 4.006 762 HB2 ARG 98 HB2 ARG 98 4.870 -1.321 6.459 763 HB3 ARG 98 HB1 ARG 98 4.920 -2.844 5.582 764 HG2 ARG 98 HG2 ARG 98 5.752 -1.686 3.604 765 HG3 ARG 98 HG1 ARG 98 5.689 -0.153 4.475 766 HD2 ARG 98 HD2 ARG 98 7.953 -1.102 4.417 767 HD3 ARG 98 HD1 ARG 98 7.337 -0.952 6.060 768 HE ARG 98 HE ARG 98 6.802 -3.398 5.858 769 HH11 ARG 98 HH11 ARG 98 9.405 -1.922 4.032 770 HH12 ARG 98 HH12 ARG 98 10.308 -3.396 3.889 771 HH21 ARG 98 HH21 ARG 98 7.995 -5.340 5.678 772 HH22 ARG 98 HH22 ARG 98 9.501 -5.341 4.818 773 H PHE 99 H PHE 99 1.922 -3.577 4.573 774 HA PHE 99 HA PHE 99 0.840 -3.661 7.294 775 HB2 PHE 99 HB2 PHE 99 -1.429 -4.095 6.417 776 HB3 PHE 99 HB1 PHE 99 -0.848 -2.498 5.973 777 HD1 PHE 99 HD1 PHE 99 -1.943 -5.737 4.776 778 HD2 PHE 99 HD2 PHE 99 -0.174 -2.034 3.642 779 HE1 PHE 99 HE1 PHE 99 -2.466 -6.212 2.421 780 HE2 PHE 99 HE2 PHE 99 -0.694 -2.505 1.283 781 HZ PHE 99 HZ PHE 99 -1.841 -4.596 0.672 782 H ASP 100 H ASP 100 -0.616 -5.810 7.370 783 HA ASP 100 HA ASP 100 0.773 -7.944 5.932 784 HB2 ASP 100 HB2 ASP 100 0.850 -9.239 8.148 785 HB3 ASP 100 HB1 ASP 100 2.049 -7.975 7.901 786 H PHE 101 H PHE 101 -0.298 -10.014 6.053 787 HA PHE 101 HA PHE 101 -3.146 -9.869 6.729 788 HB2 PHE 101 HB2 PHE 101 -3.153 -9.381 4.392 789 HB3 PHE 101 HB1 PHE 101 -1.969 -10.639 4.053 790 HD1 PHE 101 HD1 PHE 101 -5.322 -10.412 5.696 791 HD2 PHE 101 HD2 PHE 101 -2.793 -12.459 2.953 792 HE1 PHE 101 HE1 PHE 101 -7.142 -11.988 5.199 793 HE2 PHE 101 HE2 PHE 101 -4.610 -14.041 2.453 794 HZ PHE 101 HZ PHE 101 -6.787 -13.807 3.579 795 H THR 102 H THR 102 -4.130 -11.873 7.134 796 HA THR 102 HA THR 102 -4.308 -13.960 7.984 797 HB THR 102 HB THR 102 -1.573 -14.692 6.973 798 HG1 THR 102 HG1 THR 102 -2.285 -14.775 4.951 799 HG21 THR 102 HG21 THR 102 -4.149 -16.242 7.257 800 HG22 THR 102 HG22 THR 102 -2.758 -16.337 8.338 801 HG23 THR 102 HG23 THR 102 -2.619 -16.890 6.670 802 H THR 103 H THR 103 -3.154 -11.749 9.393 803 HA THR 103 HA THR 103 -1.341 -13.107 11.260 804 HB THR 103 HB THR 103 -0.955 -10.702 12.085 805 HG1 THR 103 HG1 THR 103 -1.341 -9.194 10.231 806 HG21 THR 103 HG21 THR 103 0.701 -11.974 10.796 807 HG22 THR 103 HG22 THR 103 0.703 -10.274 10.332 808 HG23 THR 103 HG23 THR 103 -0.076 -11.470 9.296 809 H THR 104 H THR 104 -4.315 -11.236 11.012 810 HA THR 104 HA THR 104 -4.845 -11.348 13.838 811 HB THR 104 HB THR 104 -6.802 -10.655 11.639 812 HG1 THR 104 HG1 THR 104 -4.657 -9.216 12.755 813 HG21 THR 104 HG21 THR 104 -7.773 -10.999 13.870 814 HG22 THR 104 HG22 THR 104 -7.867 -9.307 13.384 815 HG23 THR 104 HG23 THR 104 -6.641 -9.824 14.541 816 H SER 105 H SER 105 -4.554 -13.694 13.945 817 HA SER 105 HA SER 105 -6.796 -15.261 12.907 818 HB2 SER 105 HB2 SER 105 -4.345 -16.263 14.368 819 HB3 SER 105 HB1 SER 105 -5.464 -17.199 13.376 820 HG SER 105 HG SER 105 -4.729 -15.500 11.698 821 H THR 106 H THR 106 -8.481 -14.780 14.266 822 HA THR 106 HA THR 106 -8.171 -14.698 17.121 823 HB THR 106 HB THR 106 -10.812 -14.874 15.684 824 HG1 THR 106 HG1 THR 106 -10.189 -13.144 14.619 825 HG21 THR 106 HG21 THR 106 -10.817 -14.869 18.146 826 HG22 THR 106 HG22 THR 106 -11.544 -13.400 17.493 827 HG23 THR 106 HG23 THR 106 -9.904 -13.359 18.139 828 H SER 107 H SER 107 -7.164 -17.016 16.692 829 HA SER 107 HA SER 107 -9.151 -19.128 16.610 830 HB2 SER 107 HB2 SER 107 -6.162 -19.367 17.001 831 HB3 SER 107 HB1 SER 107 -7.275 -20.629 16.475 832 HG SER 107 HG SER 107 -7.673 -18.784 14.752 833 H THR 108 H THR 108 -9.830 -17.795 18.746 834 HA THR 108 HA THR 108 -8.408 -18.448 21.129 835 HB THR 108 HB THR 108 -11.316 -17.641 20.911 836 HG1 THR 108 HG1 THR 108 -9.019 -16.238 20.350 837 HG21 THR 108 HG21 THR 108 -10.607 -18.425 23.121 838 HG22 THR 108 HG22 THR 108 -10.934 -16.692 23.139 839 HG23 THR 108 HG23 THR 108 -9.270 -17.275 23.104 840 HA PRO 109 HA PRO 109 -10.020 -22.639 21.196 841 HB2 PRO 109 HB2 PRO 109 -8.497 -23.555 23.211 842 HB3 PRO 109 HB1 PRO 109 -7.828 -23.235 21.605 843 HG2 PRO 109 HG2 PRO 109 -7.703 -21.555 24.080 844 HG3 PRO 109 HG1 PRO 109 -6.430 -21.899 22.895 845 HD2 PRO 109 HD2 PRO 109 -7.904 -19.593 22.923 846 HD3 PRO 109 HD1 PRO 109 -7.156 -20.269 21.462 847 H GLY 110 H GLY 110 -11.849 -20.948 22.215 848 HA2 GLY 110 HA2 GLY 110 -13.541 -20.755 23.754 849 HA3 GLY 110 HA1 GLY 110 -13.146 -22.403 24.217 850 H SER 111 H SER 111 -11.797 -19.125 24.606 851 HA SER 111 HA SER 111 -10.625 -19.902 27.138 852 HB2 SER 111 HB2 SER 111 -9.428 -18.411 25.516 853 HB3 SER 111 HB1 SER 111 -10.643 -17.173 25.830 854 HG SER 111 HG SER 111 -8.466 -17.445 27.135 855 H ARG 112 H ARG 112 -12.594 -20.374 28.217 856 HA ARG 112 HA ARG 112 -14.477 -18.239 28.693 857 HB2 ARG 112 HB2 ARG 112 -15.362 -20.475 28.466 858 HB3 ARG 112 HB1 ARG 112 -14.320 -21.060 29.756 859 HG2 ARG 112 HG2 ARG 112 -15.506 -19.584 31.339 860 HG3 ARG 112 HG1 ARG 112 -16.591 -19.107 30.035 861 HD2 ARG 112 HD2 ARG 112 -17.369 -21.376 29.797 862 HD3 ARG 112 HD1 ARG 112 -16.202 -21.933 30.996 863 HE ARG 112 HE ARG 112 -17.774 -19.963 32.195 864 HH11 ARG 112 HH11 ARG 112 -18.141 -23.167 30.851 865 HH12 ARG 112 HH12 ARG 112 -19.444 -23.606 31.908 866 HH21 ARG 112 HH21 ARG 112 -19.499 -20.524 33.595 867 HH22 ARG 112 HH22 ARG 112 -20.225 -22.095 33.471 868 H SER 113 H SER 113 -13.846 -16.676 30.008 869 HA SER 113 HA SER 113 -12.517 -17.406 32.526 870 HB2 SER 113 HB2 SER 113 -12.824 -14.682 31.239 871 HB3 SER 113 HB1 SER 113 -11.869 -15.056 32.674 872 HG SER 113 HG SER 113 -11.130 -16.707 30.711 873 H HIS 114 H HIS 114 -15.482 -16.626 31.195 874 HA HIS 114 HA HIS 114 -16.561 -15.101 33.368 875 HB2 HIS 114 HB2 HIS 114 -17.369 -14.891 31.017 876 HB3 HIS 114 HB1 HIS 114 -18.023 -16.520 31.131 877 HD1 HIS 114 HD1 HIS 114 -20.231 -16.818 32.401 878 HD2 HIS 114 HD2 HIS 114 -18.790 -12.922 32.446 879 HE1 HIS 114 HE1 HIS 114 -22.113 -15.415 33.293 880 HE2 HIS 114 HE2 HIS 114 -21.166 -13.089 33.459 881 H HIS 115 H HIS 115 -16.769 -16.060 35.288 882 HA HIS 115 HA HIS 115 -18.656 -18.261 35.428 883 HB2 HIS 115 HB2 HIS 115 -17.312 -19.535 37.065 884 HB3 HIS 115 HB1 HIS 115 -16.549 -19.471 35.484 885 HD1 HIS 115 HD1 HIS 115 -14.268 -18.349 35.318 886 HD2 HIS 115 HD2 HIS 115 -15.967 -18.102 39.104 887 HE1 HIS 115 HE1 HIS 115 -12.433 -17.533 36.836 888 HE2 HIS 115 HE2 HIS 115 -13.505 -17.313 39.100 889 H HIS 116 H HIS 116 -18.553 -15.394 35.975 890 HA HIS 116 HA HIS 116 -19.675 -15.551 38.679 891 HB2 HIS 116 HB2 HIS 116 -17.451 -14.435 38.800 892 HB3 HIS 116 HB1 HIS 116 -18.016 -13.235 37.645 893 HD1 HIS 116 HD1 HIS 116 -18.409 -14.312 41.210 894 HD2 HIS 116 HD2 HIS 116 -19.692 -11.261 38.698 895 HE1 HIS 116 HE1 HIS 116 -19.454 -12.594 42.715 896 HE2 HIS 116 HE2 HIS 116 -20.404 -10.866 41.154 897 H HIS 117 H HIS 117 -21.747 -14.996 38.604 898 HA HIS 117 HA HIS 117 -22.808 -13.754 36.223 899 HB2 HIS 117 HB2 HIS 117 -24.104 -14.830 38.725 900 HB3 HIS 117 HB1 HIS 117 -25.018 -14.022 37.457 901 HD1 HIS 117 HD1 HIS 117 -23.966 -17.285 38.494 902 HD2 HIS 117 HD2 HIS 117 -24.618 -15.414 34.839 903 HE1 HIS 117 HE1 HIS 117 -24.243 -19.143 36.825 904 HE2 HIS 117 HE2 HIS 117 -24.503 -17.986 34.602 905 H HIS 118 H HIS 118 -22.992 -11.649 35.956 906 HA HIS 118 HA HIS 118 -22.680 -9.834 38.167 907 HB2 HIS 118 HB2 HIS 118 -22.815 -8.055 36.526 908 HB3 HIS 118 HB1 HIS 118 -21.750 -9.317 35.927 909 HD1 HIS 118 HD1 HIS 118 -22.381 -10.442 33.741 910 HD2 HIS 118 HD2 HIS 118 -25.317 -7.862 35.157 911 HE1 HIS 118 HE1 HIS 118 -24.032 -10.193 31.860 912 HE2 HIS 118 HE2 HIS 118 -25.874 -8.760 32.797 913 H HIS 119 H HIS 119 -24.235 -8.044 38.528 914 HA HIS 119 HA HIS 119 -26.258 -7.289 39.187 915 HB2 HIS 119 HB2 HIS 119 -26.816 -7.399 36.776 916 HB3 HIS 119 HB1 HIS 119 -27.363 -9.058 36.989 917 HD1 HIS 119 HD1 HIS 119 -28.230 -5.567 38.219 918 HD2 HIS 119 HD2 HIS 119 -30.003 -9.282 37.621 919 HE1 HIS 119 HE1 HIS 119 -30.680 -5.228 38.668 920 HE2 HIS 119 HE2 HIS 119 -31.742 -7.476 38.272 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 5.878 8.821 18.001 2 H2 GLY 1 HT2 GLY 1 4.229 9.077 17.751 3 H3 GLY 1 HT3 GLY 1 4.764 8.387 19.197 4 HA2 GLY 1 HA1 GLY 1 4.184 10.673 19.581 5 HA3 GLY 1 HA2 GLY 1 5.917 10.443 19.767 6 H SER 2 H SER 2 6.896 12.232 19.048 7 HA SER 2 HA SER 2 5.762 13.881 17.003 8 HB2 SER 2 HB2 SER 2 8.527 13.992 18.232 9 HB3 SER 2 HB1 SER 2 7.747 15.269 17.302 10 HG SER 2 HG SER 2 7.382 14.510 19.930 11 H GLN 3 H GLN 3 7.790 11.137 17.003 12 HA GLN 3 HA GLN 3 9.006 11.701 14.444 13 HB2 GLN 3 HB2 GLN 3 9.949 10.213 16.353 14 HB3 GLN 3 HB1 GLN 3 8.869 8.980 15.724 15 HG2 GLN 3 HG2 GLN 3 10.976 10.368 14.084 16 HG3 GLN 3 HG1 GLN 3 11.221 8.836 14.914 17 HE21 GLN 3 HE21 GLN 3 10.156 7.000 14.166 18 HE22 GLN 3 HE22 GLN 3 9.466 6.920 12.583 19 H THR 4 H THR 4 7.009 12.180 13.375 20 HA THR 4 HA THR 4 5.623 9.745 12.475 21 HB THR 4 HB THR 4 3.749 11.361 11.831 22 HG1 THR 4 HG1 THR 4 4.866 13.312 12.077 23 HG21 THR 4 HG21 THR 4 4.378 10.977 14.762 24 HG22 THR 4 HG22 THR 4 3.556 9.818 13.716 25 HG23 THR 4 HG23 THR 4 2.792 11.362 14.093 26 H THR 5 H THR 5 7.726 9.876 11.138 27 HA THR 5 HA THR 5 8.085 11.776 9.140 28 HB THR 5 HB THR 5 9.793 10.112 9.772 29 HG1 THR 5 HG1 THR 5 10.590 10.563 7.888 30 HG21 THR 5 HG21 THR 5 8.074 8.156 8.241 31 HG22 THR 5 HG22 THR 5 8.389 8.128 9.976 32 HG23 THR 5 HG23 THR 5 9.704 7.842 8.836 33 H ALA 6 H ALA 6 7.310 12.066 7.137 34 HA ALA 6 HA ALA 6 5.759 12.120 5.491 35 HB1 ALA 6 HB1 ALA 6 6.931 10.105 4.780 36 HB2 ALA 6 HB2 ALA 6 5.211 10.005 4.403 37 HB3 ALA 6 HB3 ALA 6 5.864 9.123 5.782 38 HA PRO 7 HA PRO 7 2.231 11.583 8.478 39 HB2 PRO 7 HB2 PRO 7 1.776 14.430 8.056 40 HB3 PRO 7 HB1 PRO 7 2.081 13.567 9.564 41 HG2 PRO 7 HG2 PRO 7 3.868 15.281 8.461 42 HG3 PRO 7 HG1 PRO 7 4.348 13.886 9.444 43 HD2 PRO 7 HD2 PRO 7 4.334 14.193 6.463 44 HD3 PRO 7 HD1 PRO 7 5.540 13.417 7.512 45 H ASP 8 H ASP 8 2.759 12.711 5.329 46 HA ASP 8 HA ASP 8 -0.078 12.978 4.690 47 HB2 ASP 8 HB2 ASP 8 1.695 14.622 3.896 48 HB3 ASP 8 HB1 ASP 8 2.288 13.344 2.846 49 H ALA 9 H ALA 9 0.813 10.443 5.465 50 HA ALA 9 HA ALA 9 0.849 8.896 2.968 51 HB1 ALA 9 HB1 ALA 9 1.676 8.065 5.743 52 HB2 ALA 9 HB2 ALA 9 2.769 8.541 4.445 53 HB3 ALA 9 HB3 ALA 9 1.794 7.080 4.283 54 HA PRO 10 HA PRO 10 -3.256 7.411 3.789 55 HB2 PRO 10 HB2 PRO 10 -2.337 4.812 2.721 56 HB3 PRO 10 HB1 PRO 10 -3.632 5.867 2.149 57 HG2 PRO 10 HG2 PRO 10 -1.337 5.630 0.797 58 HG3 PRO 10 HG1 PRO 10 -2.193 7.181 0.904 59 HD2 PRO 10 HD2 PRO 10 0.225 6.253 2.389 60 HD3 PRO 10 HD1 PRO 10 -0.128 7.833 1.714 61 HA PRO 11 HA PRO 11 -2.797 5.393 7.823 62 HB2 PRO 11 HB2 PRO 11 -5.707 5.098 7.192 63 HB3 PRO 11 HB1 PRO 11 -4.931 5.596 8.701 64 HG2 PRO 11 HG2 PRO 11 -6.041 7.409 7.122 65 HG3 PRO 11 HG1 PRO 11 -4.492 7.743 7.918 66 HD2 PRO 11 HD2 PRO 11 -5.052 7.055 5.072 67 HD3 PRO 11 HD1 PRO 11 -3.813 8.129 5.754 68 H ASP 12 H ASP 12 -2.849 3.305 8.528 69 HA ASP 12 HA ASP 12 -2.136 1.317 6.817 70 HB2 ASP 12 HB2 ASP 12 -3.441 1.036 9.524 71 HB3 ASP 12 HB1 ASP 12 -2.612 -0.268 8.678 72 HA PRO 13 HA PRO 13 -5.886 0.306 4.616 73 HB2 PRO 13 HB2 PRO 13 -4.200 -2.029 3.876 74 HB3 PRO 13 HB1 PRO 13 -5.092 -0.910 2.839 75 HG2 PRO 13 HG2 PRO 13 -2.447 -0.749 3.033 76 HG3 PRO 13 HG1 PRO 13 -3.440 0.719 2.956 77 HD2 PRO 13 HD2 PRO 13 -2.121 -0.557 5.316 78 HD3 PRO 13 HD1 PRO 13 -2.293 1.163 4.909 79 H THR 14 H THR 14 -7.544 -1.123 4.845 80 HA THR 14 HA THR 14 -7.254 -3.121 6.991 81 HB THR 14 HB THR 14 -9.829 -1.886 6.009 82 HG1 THR 14 HG1 THR 14 -8.045 -1.057 8.070 83 HG21 THR 14 HG21 THR 14 -9.134 -3.328 8.571 84 HG22 THR 14 HG22 THR 14 -10.039 -4.012 7.220 85 HG23 THR 14 HG23 THR 14 -10.716 -2.672 8.145 86 H VAL 15 H VAL 15 -7.785 -5.216 6.586 87 HA VAL 15 HA VAL 15 -8.625 -5.863 3.851 88 HB VAL 15 HB VAL 15 -7.173 -7.544 5.902 89 HG11 VAL 15 HG11 VAL 15 -7.024 -9.250 4.129 90 HG12 VAL 15 HG12 VAL 15 -8.104 -8.275 3.133 91 HG13 VAL 15 HG13 VAL 15 -8.683 -8.959 4.651 92 HG21 VAL 15 HG21 VAL 15 -5.352 -7.501 4.235 93 HG22 VAL 15 HG22 VAL 15 -5.747 -5.897 4.849 94 HG23 VAL 15 HG23 VAL 15 -6.307 -6.393 3.251 95 H ASP 16 H ASP 16 -10.698 -6.335 3.631 96 HA ASP 16 HA ASP 16 -12.069 -7.743 5.832 97 HB2 ASP 16 HB2 ASP 16 -13.151 -5.631 3.962 98 HB3 ASP 16 HB1 ASP 16 -14.186 -6.667 4.937 99 H GLN 17 H GLN 17 -13.863 -9.080 5.175 100 HA GLN 17 HA GLN 17 -14.796 -10.784 4.017 101 HB2 GLN 17 HB2 GLN 17 -14.399 -8.937 1.671 102 HB3 GLN 17 HB1 GLN 17 -15.518 -10.270 1.747 103 HG2 GLN 17 HG2 GLN 17 -16.700 -9.145 3.590 104 HG3 GLN 17 HG1 GLN 17 -15.605 -7.775 3.415 105 HE21 GLN 17 HE21 GLN 17 -17.201 -6.339 2.887 106 HE22 GLN 17 HE22 GLN 17 -18.033 -6.374 1.372 107 H VAL 18 H VAL 18 -12.942 -12.136 4.416 108 HA VAL 18 HA VAL 18 -11.137 -12.519 2.176 109 HB VAL 18 HB VAL 18 -10.143 -12.629 4.378 110 HG11 VAL 18 HG11 VAL 18 -12.025 -14.916 4.937 111 HG12 VAL 18 HG12 VAL 18 -12.073 -13.317 5.679 112 HG13 VAL 18 HG13 VAL 18 -10.707 -14.390 5.985 113 HG21 VAL 18 HG21 VAL 18 -9.044 -14.826 4.251 114 HG22 VAL 18 HG22 VAL 18 -9.147 -14.033 2.679 115 HG23 VAL 18 HG23 VAL 18 -10.254 -15.346 3.078 116 H ASP 19 H ASP 19 -11.568 -13.832 0.570 117 HA ASP 19 HA ASP 19 -13.721 -15.781 0.757 118 HB2 ASP 19 HB2 ASP 19 -11.892 -15.087 -1.556 119 HB3 ASP 19 HB1 ASP 19 -13.260 -16.184 -1.643 120 H ASP 20 H ASP 20 -12.669 -17.686 -1.055 121 HA ASP 20 HA ASP 20 -11.132 -19.308 0.700 122 HB2 ASP 20 HB2 ASP 20 -11.102 -20.938 -1.111 123 HB3 ASP 20 HB1 ASP 20 -12.717 -20.259 -0.943 124 H THR 21 H THR 21 -10.364 -17.226 -2.031 125 HA THR 21 HA THR 21 -7.542 -17.402 -1.330 126 HB THR 21 HB THR 21 -7.056 -17.524 -3.891 127 HG1 THR 21 HG1 THR 21 -9.480 -19.022 -3.812 128 HG21 THR 21 HG21 THR 21 -7.901 -19.977 -2.350 129 HG22 THR 21 HG22 THR 21 -6.314 -19.210 -2.287 130 HG23 THR 21 HG23 THR 21 -6.872 -19.965 -3.781 131 H SER 22 H SER 22 -9.631 -15.285 -1.206 132 HA SER 22 HA SER 22 -8.053 -13.228 -2.483 133 HB2 SER 22 HB2 SER 22 -10.189 -12.206 -3.491 134 HB3 SER 22 HB1 SER 22 -9.463 -13.578 -4.328 135 HG SER 22 HG SER 22 -11.797 -13.487 -2.731 136 H ILE 23 H ILE 23 -8.597 -11.075 -1.790 137 HA ILE 23 HA ILE 23 -10.297 -10.909 0.609 138 HB ILE 23 HB ILE 23 -8.657 -9.556 1.778 139 HG12 ILE 23 HG12 ILE 23 -6.686 -10.153 -0.423 140 HG13 ILE 23 HG11 ILE 23 -7.657 -8.687 -0.408 141 HG21 ILE 23 HG21 ILE 23 -7.427 -12.133 0.817 142 HG22 ILE 23 HG22 ILE 23 -8.544 -11.951 2.169 143 HG23 ILE 23 HG23 ILE 23 -6.936 -11.234 2.252 144 HD11 ILE 23 HD11 ILE 23 -5.534 -8.147 0.475 145 HD12 ILE 23 HD12 ILE 23 -5.565 -9.528 1.574 146 HD13 ILE 23 HD13 ILE 23 -6.663 -8.172 1.829 147 H VAL 24 H VAL 24 -10.892 -8.664 1.132 148 HA VAL 24 HA VAL 24 -10.574 -6.835 -1.154 149 HB VAL 24 HB VAL 24 -12.575 -6.624 1.106 150 HG11 VAL 24 HG11 VAL 24 -11.971 -4.478 0.121 151 HG12 VAL 24 HG12 VAL 24 -13.623 -4.920 -0.308 152 HG13 VAL 24 HG13 VAL 24 -12.326 -5.105 -1.488 153 HG21 VAL 24 HG21 VAL 24 -14.257 -7.295 -0.549 154 HG22 VAL 24 HG22 VAL 24 -13.063 -8.566 -0.284 155 HG23 VAL 24 HG23 VAL 24 -12.978 -7.565 -1.733 156 H VAL 25 H VAL 25 -8.805 -5.653 -0.831 157 HA VAL 25 HA VAL 25 -8.215 -4.684 1.875 158 HB VAL 25 HB VAL 25 -6.330 -5.831 0.963 159 HG11 VAL 25 HG11 VAL 25 -6.657 -4.138 -1.499 160 HG12 VAL 25 HG12 VAL 25 -6.882 -5.884 -1.358 161 HG13 VAL 25 HG13 VAL 25 -5.275 -5.186 -1.172 162 HG21 VAL 25 HG21 VAL 25 -5.858 -2.875 0.662 163 HG22 VAL 25 HG22 VAL 25 -4.609 -4.108 0.852 164 HG23 VAL 25 HG23 VAL 25 -5.756 -3.803 2.160 165 H ARG 26 H ARG 26 -8.698 -2.675 2.374 166 HA ARG 26 HA ARG 26 -8.956 -0.694 0.201 167 HB2 ARG 26 HB2 ARG 26 -10.560 -0.863 2.756 168 HB3 ARG 26 HB1 ARG 26 -10.679 0.426 1.572 169 HG2 ARG 26 HG2 ARG 26 -11.514 -1.132 -0.086 170 HG3 ARG 26 HG1 ARG 26 -11.328 -2.469 1.055 171 HD2 ARG 26 HD2 ARG 26 -13.644 -1.719 0.967 172 HD3 ARG 26 HD1 ARG 26 -12.944 -1.414 2.555 173 HE ARG 26 HE ARG 26 -12.730 0.839 0.807 174 HH11 ARG 26 HH11 ARG 26 -14.879 -0.838 3.006 175 HH12 ARG 26 HH12 ARG 26 -15.843 0.568 3.332 176 HH21 ARG 26 HH21 ARG 26 -13.981 2.688 1.248 177 HH22 ARG 26 HH22 ARG 26 -15.331 2.573 2.335 178 H TRP 27 H TRP 27 -8.467 1.504 0.809 179 HA TRP 27 HA TRP 27 -6.973 1.897 3.266 180 HB2 TRP 27 HB2 TRP 27 -5.009 2.821 1.997 181 HB3 TRP 27 HB1 TRP 27 -5.215 1.079 1.843 182 HD1 TRP 27 HD1 TRP 27 -5.444 4.313 -0.177 183 HE1 TRP 27 HE1 TRP 27 -5.540 3.722 -2.675 184 HE3 TRP 27 HE3 TRP 27 -5.904 -0.764 0.198 185 HZ2 TRP 27 HZ2 TRP 27 -5.768 1.417 -4.280 186 HZ3 TRP 27 HZ3 TRP 27 -6.050 -2.089 -1.870 187 HH2 TRP 27 HH2 TRP 27 -5.983 -1.018 -4.062 188 H SER 28 H SER 28 -6.913 4.016 3.917 189 HA SER 28 HA SER 28 -8.684 5.801 2.431 190 HB2 SER 28 HB2 SER 28 -7.576 6.113 5.232 191 HB3 SER 28 HB1 SER 28 -8.896 7.033 4.505 192 HG SER 28 HG SER 28 -8.878 4.243 5.057 193 H ARG 29 H ARG 29 -7.985 7.611 1.458 194 HA ARG 29 HA ARG 29 -5.147 8.197 1.515 195 HB2 ARG 29 HB2 ARG 29 -5.463 9.518 -0.422 196 HB3 ARG 29 HB1 ARG 29 -6.477 8.106 -0.642 197 HG2 ARG 29 HG2 ARG 29 -7.387 10.857 0.176 198 HG3 ARG 29 HG1 ARG 29 -7.631 10.085 -1.389 199 HD2 ARG 29 HD2 ARG 29 -9.001 8.374 -0.342 200 HD3 ARG 29 HD1 ARG 29 -8.724 9.108 1.235 201 HE ARG 29 HE ARG 29 -10.359 10.218 -0.937 202 HH11 ARG 29 HH11 ARG 29 -9.199 10.409 2.367 203 HH12 ARG 29 HH12 ARG 29 -10.476 11.465 2.885 204 HH21 ARG 29 HH21 ARG 29 -12.030 11.620 -0.250 205 HH22 ARG 29 HH22 ARG 29 -12.077 12.155 1.401 206 HA PRO 30 HA PRO 30 -5.552 11.553 4.355 207 HB2 PRO 30 HB2 PRO 30 -3.347 12.997 3.725 208 HB3 PRO 30 HB1 PRO 30 -3.265 11.453 4.580 209 HG2 PRO 30 HG2 PRO 30 -2.803 12.045 1.684 210 HG3 PRO 30 HG1 PRO 30 -1.897 10.971 2.768 211 HD2 PRO 30 HD2 PRO 30 -3.751 10.073 0.989 212 HD3 PRO 30 HD1 PRO 30 -3.398 9.253 2.514 213 H1 MET 31 HT1 MET 31 -12.578 21.673 -7.761 214 H2 MET 31 HT2 MET 31 -13.760 21.541 -6.566 215 H3 MET 31 HT3 MET 31 -12.972 20.156 -7.124 216 HA MET 31 HA MET 31 -12.146 20.815 -4.966 217 HB2 MET 31 HB2 MET 31 -10.202 21.223 -7.245 218 HB3 MET 31 HB1 MET 31 -9.729 20.993 -5.569 219 HG2 MET 31 HG2 MET 31 -11.231 19.018 -7.268 220 HG3 MET 31 HG1 MET 31 -9.524 18.934 -6.838 221 HE1 MET 31 HE1 MET 31 -9.779 16.476 -5.891 222 HE2 MET 31 HE2 MET 31 -11.473 16.501 -6.381 223 HE3 MET 31 HE3 MET 31 -11.034 15.999 -4.749 224 H ARG 32 H ARG 32 -10.717 22.358 -3.815 225 HA ARG 32 HA ARG 32 -11.145 25.121 -4.730 226 HB2 ARG 32 HB2 ARG 32 -12.785 24.506 -2.978 227 HB3 ARG 32 HB1 ARG 32 -11.457 24.107 -1.899 228 HG2 ARG 32 HG2 ARG 32 -10.713 26.429 -1.939 229 HG3 ARG 32 HG1 ARG 32 -12.032 26.835 -3.040 230 HD2 ARG 32 HD2 ARG 32 -12.291 25.795 -0.224 231 HD3 ARG 32 HD1 ARG 32 -12.635 27.433 -0.775 232 HE ARG 32 HE ARG 32 -14.451 26.444 -2.128 233 HH11 ARG 32 HH11 ARG 32 -13.235 24.691 0.654 234 HH12 ARG 32 HH12 ARG 32 -14.703 23.800 0.891 235 HH21 ARG 32 HH21 ARG 32 -16.373 25.263 -1.832 236 HH22 ARG 32 HH22 ARG 32 -16.488 24.121 -0.531 237 H GLY 33 H GLY 33 -8.955 24.987 -5.487 238 HA2 GLY 33 HA2 GLY 33 -7.077 25.805 -3.474 239 HA3 GLY 33 HA1 GLY 33 -6.707 24.230 -4.162 240 H SER 34 H SER 34 -6.923 27.645 -4.751 241 HA SER 34 HA SER 34 -5.986 27.420 -7.470 242 HB2 SER 34 HB2 SER 34 -5.819 29.949 -7.263 243 HB3 SER 34 HB1 SER 34 -7.429 29.269 -7.032 244 HG SER 34 HG SER 34 -7.409 29.877 -5.004 245 H ASN 35 H ASN 35 -4.657 27.769 -4.302 246 HA ASN 35 HA ASN 35 -2.031 28.556 -5.256 247 HB2 ASN 35 HB2 ASN 35 -2.941 27.743 -2.484 248 HB3 ASN 35 HB1 ASN 35 -1.364 28.405 -2.886 249 HD21 ASN 35 HD21 ASN 35 -3.368 29.404 -1.055 250 HD22 ASN 35 HD22 ASN 35 -3.760 31.001 -1.590 251 H ALA 36 H ALA 36 -3.685 25.708 -4.037 252 HA ALA 36 HA ALA 36 -1.360 24.089 -4.833 253 HB1 ALA 36 HB1 ALA 36 -1.778 22.592 -2.989 254 HB2 ALA 36 HB2 ALA 36 -3.184 23.534 -2.500 255 HB3 ALA 36 HB3 ALA 36 -1.569 24.232 -2.380 256 HA PRO 37 HA PRO 37 -4.700 22.385 -7.380 257 HB2 PRO 37 HB2 PRO 37 -2.527 21.097 -8.840 258 HB3 PRO 37 HB1 PRO 37 -3.678 22.310 -9.402 259 HG2 PRO 37 HG2 PRO 37 -1.048 22.846 -9.045 260 HG3 PRO 37 HG1 PRO 37 -2.316 24.065 -8.822 261 HD2 PRO 37 HD2 PRO 37 -0.842 22.463 -6.762 262 HD3 PRO 37 HD1 PRO 37 -1.293 24.182 -6.745 263 H GLN 38 H GLN 38 -4.938 21.107 -5.263 264 HA GLN 38 HA GLN 38 -5.312 19.132 -4.218 265 HB2 GLN 38 HB2 GLN 38 -4.697 17.867 -6.893 266 HB3 GLN 38 HB1 GLN 38 -5.537 17.110 -5.550 267 HG2 GLN 38 HG2 GLN 38 -7.356 18.737 -5.784 268 HG3 GLN 38 HG1 GLN 38 -6.519 19.453 -7.162 269 HE21 GLN 38 HE21 GLN 38 -8.173 18.981 -8.598 270 HE22 GLN 38 HE22 GLN 38 -8.511 17.369 -9.126 271 HA PRO 39 HA PRO 39 -0.766 18.798 -3.466 272 HB2 PRO 39 HB2 PRO 39 -1.838 18.289 -0.752 273 HB3 PRO 39 HB1 PRO 39 -0.559 19.390 -1.270 274 HG2 PRO 39 HG2 PRO 39 -2.966 20.298 -0.552 275 HG3 PRO 39 HG1 PRO 39 -2.043 21.051 -1.862 276 HD2 PRO 39 HD2 PRO 39 -4.397 19.223 -2.008 277 HD3 PRO 39 HD1 PRO 39 -3.974 20.604 -3.039 278 H SER 40 H SER 40 -2.969 16.813 -1.474 279 HA SER 40 HA SER 40 -1.199 14.548 -1.872 280 HB2 SER 40 HB2 SER 40 -2.698 13.460 -0.157 281 HB3 SER 40 HB1 SER 40 -1.871 14.916 0.397 282 HG SER 40 HG SER 40 -4.284 14.600 0.771 283 H HIS 41 H HIS 41 -2.258 15.056 -4.242 284 HA HIS 41 HA HIS 41 -4.561 13.283 -4.580 285 HB2 HIS 41 HB2 HIS 41 -4.534 15.481 -5.762 286 HB3 HIS 41 HB1 HIS 41 -3.132 14.936 -6.674 287 HD1 HIS 41 HD1 HIS 41 -3.894 14.403 -8.976 288 HD2 HIS 41 HD2 HIS 41 -6.634 13.157 -6.109 289 HE1 HIS 41 HE1 HIS 41 -5.726 13.248 -10.248 290 HE2 HIS 41 HE2 HIS 41 -7.458 12.683 -8.514 291 H ILE 42 H ILE 42 -4.070 11.213 -4.678 292 HA ILE 42 HA ILE 42 -1.491 10.321 -5.619 293 HB ILE 42 HB ILE 42 -3.895 8.725 -4.701 294 HG12 ILE 42 HG12 ILE 42 -2.306 8.231 -2.741 295 HG13 ILE 42 HG11 ILE 42 -1.365 9.603 -3.304 296 HG21 ILE 42 HG21 ILE 42 -2.540 7.435 -6.239 297 HG22 ILE 42 HG22 ILE 42 -2.346 6.822 -4.596 298 HG23 ILE 42 HG23 ILE 42 -1.087 7.823 -5.318 299 HD11 ILE 42 HD11 ILE 42 -4.237 9.679 -2.410 300 HD12 ILE 42 HD12 ILE 42 -3.287 11.061 -2.956 301 HD13 ILE 42 HD13 ILE 42 -2.840 10.213 -1.475 302 H SER 43 H SER 43 -1.037 9.698 -7.614 303 HA SER 43 HA SER 43 -3.070 9.789 -9.648 304 HB2 SER 43 HB2 SER 43 -0.136 9.068 -9.856 305 HB3 SER 43 HB1 SER 43 -1.209 9.469 -11.200 306 HG SER 43 HG SER 43 -1.533 11.512 -9.876 307 H LYS 44 H LYS 44 -1.062 7.330 -8.103 308 HA LYS 44 HA LYS 44 -2.966 5.299 -8.830 309 HB2 LYS 44 HB2 LYS 44 -1.265 3.818 -9.885 310 HB3 LYS 44 HB1 LYS 44 -1.644 5.243 -10.839 311 HG2 LYS 44 HG2 LYS 44 0.416 6.315 -10.016 312 HG3 LYS 44 HG1 LYS 44 0.802 4.835 -9.127 313 HD2 LYS 44 HD2 LYS 44 0.948 3.582 -11.174 314 HD3 LYS 44 HD1 LYS 44 0.384 4.965 -12.112 315 HE2 LYS 44 HE2 LYS 44 2.931 4.910 -10.504 316 HE3 LYS 44 HE1 LYS 44 2.839 4.598 -12.236 317 HZ1 LYS 44 HZ1 LYS 44 1.935 6.836 -12.532 318 HZ2 LYS 44 HZ2 LYS 44 3.467 6.875 -11.822 319 HZ3 LYS 44 HZ3 LYS 44 2.094 7.131 -10.876 320 H TYR 45 H TYR 45 -2.990 3.638 -7.426 321 HA TYR 45 HA TYR 45 -1.016 3.665 -5.248 322 HB2 TYR 45 HB2 TYR 45 -3.666 2.214 -5.443 323 HB3 TYR 45 HB1 TYR 45 -2.616 2.249 -4.037 324 HD1 TYR 45 HD1 TYR 45 -5.343 3.808 -5.721 325 HD2 TYR 45 HD2 TYR 45 -2.224 4.529 -2.919 326 HE1 TYR 45 HE1 TYR 45 -6.577 5.751 -4.856 327 HE2 TYR 45 HE2 TYR 45 -3.448 6.477 -2.048 328 HH TYR 45 HH TYR 45 -5.247 8.111 -3.017 329 H ILE 46 H ILE 46 0.463 2.068 -5.128 330 HA ILE 46 HA ILE 46 0.049 -0.268 -6.868 331 HB ILE 46 HB ILE 46 2.614 0.952 -5.838 332 HG12 ILE 46 HG12 ILE 46 3.160 0.861 -8.325 333 HG13 ILE 46 HG11 ILE 46 1.468 0.465 -8.591 334 HG21 ILE 46 HG21 ILE 46 2.289 -1.681 -7.271 335 HG22 ILE 46 HG22 ILE 46 2.764 -1.470 -5.587 336 HG23 ILE 46 HG23 ILE 46 3.820 -0.897 -6.878 337 HD11 ILE 46 HD11 ILE 46 1.841 2.810 -8.977 338 HD12 ILE 46 HD12 ILE 46 2.551 2.990 -7.373 339 HD13 ILE 46 HD13 ILE 46 0.840 2.601 -7.540 340 H LEU 47 H LEU 47 -0.589 -2.011 -5.896 341 HA LEU 47 HA LEU 47 -0.136 -2.367 -3.023 342 HB2 LEU 47 HB2 LEU 47 -2.400 -2.664 -4.366 343 HB3 LEU 47 HB1 LEU 47 -1.732 -4.229 -4.759 344 HG LEU 47 HG LEU 47 -3.256 -4.495 -2.944 345 HD11 LEU 47 HD11 LEU 47 -0.416 -4.670 -1.979 346 HD12 LEU 47 HD12 LEU 47 -1.384 -5.935 -2.737 347 HD13 LEU 47 HD13 LEU 47 -1.802 -5.352 -1.129 348 HD21 LEU 47 HD21 LEU 47 -3.256 -2.178 -2.155 349 HD22 LEU 47 HD22 LEU 47 -1.672 -2.435 -1.421 350 HD23 LEU 47 HD23 LEU 47 -3.073 -3.334 -0.835 351 H ARG 48 H ARG 48 1.696 -3.400 -2.530 352 HA ARG 48 HA ARG 48 2.551 -5.602 -4.291 353 HB2 ARG 48 HB2 ARG 48 4.130 -3.664 -2.632 354 HB3 ARG 48 HB1 ARG 48 4.807 -5.228 -3.060 355 HG2 ARG 48 HG2 ARG 48 4.496 -4.702 -5.417 356 HG3 ARG 48 HG1 ARG 48 3.831 -3.129 -4.978 357 HD2 ARG 48 HD2 ARG 48 5.977 -2.616 -3.830 358 HD3 ARG 48 HD1 ARG 48 6.621 -4.136 -4.451 359 HE ARG 48 HE ARG 48 5.721 -2.880 -6.670 360 HH11 ARG 48 HH11 ARG 48 7.876 -1.931 -4.087 361 HH12 ARG 48 HH12 ARG 48 8.814 -0.874 -5.090 362 HH21 ARG 48 HH21 ARG 48 6.958 -1.513 -7.998 363 HH22 ARG 48 HH22 ARG 48 8.298 -0.640 -7.319 364 H TRP 49 H TRP 49 2.209 -7.553 -3.503 365 HA TRP 49 HA TRP 49 2.467 -7.908 -0.599 366 HB2 TRP 49 HB2 TRP 49 0.683 -9.535 -0.589 367 HB3 TRP 49 HB1 TRP 49 0.088 -8.030 -1.278 368 HD1 TRP 49 HD1 TRP 49 0.471 -11.686 -2.023 369 HE1 TRP 49 HE1 TRP 49 -0.490 -12.200 -4.352 370 HE3 TRP 49 HE3 TRP 49 -0.126 -6.908 -3.727 371 HZ2 TRP 49 HZ2 TRP 49 -1.370 -10.773 -6.618 372 HZ3 TRP 49 HZ3 TRP 49 -1.042 -6.564 -5.981 373 HH2 TRP 49 HH2 TRP 49 -1.653 -8.453 -7.394 374 H ARG 50 H ARG 50 3.405 -9.762 0.127 375 HA ARG 50 HA ARG 50 4.409 -11.720 -1.778 376 HB2 ARG 50 HB2 ARG 50 6.097 -9.868 -1.691 377 HB3 ARG 50 HB1 ARG 50 6.273 -10.168 0.032 378 HG2 ARG 50 HG2 ARG 50 6.956 -12.516 -0.554 379 HG3 ARG 50 HG1 ARG 50 7.008 -11.994 -2.241 380 HD2 ARG 50 HD2 ARG 50 9.223 -11.864 -1.294 381 HD3 ARG 50 HD1 ARG 50 8.624 -10.234 -1.608 382 HE ARG 50 HE ARG 50 7.967 -10.852 1.018 383 HH11 ARG 50 HH11 ARG 50 10.877 -10.387 -0.888 384 HH12 ARG 50 HH12 ARG 50 11.829 -9.888 0.475 385 HH21 ARG 50 HH21 ARG 50 9.195 -10.172 2.786 386 HH22 ARG 50 HH22 ARG 50 10.875 -9.767 2.564 387 HA PRO 51 HA PRO 51 3.376 -14.226 1.816 388 HB2 PRO 51 HB2 PRO 51 4.999 -16.246 0.390 389 HB3 PRO 51 HB1 PRO 51 3.329 -16.343 0.951 390 HG2 PRO 51 HG2 PRO 51 3.927 -16.099 -1.652 391 HG3 PRO 51 HG1 PRO 51 2.492 -15.336 -0.945 392 HD2 PRO 51 HD2 PRO 51 5.101 -14.116 -1.729 393 HD3 PRO 51 HD1 PRO 51 3.458 -13.453 -1.854 394 H LYS 52 H LYS 52 4.454 -14.737 3.656 395 HA LYS 52 HA LYS 52 6.993 -13.685 4.155 396 HB2 LYS 52 HB2 LYS 52 5.157 -15.531 5.614 397 HB3 LYS 52 HB1 LYS 52 6.796 -15.332 6.212 398 HG2 LYS 52 HG2 LYS 52 4.855 -13.077 5.763 399 HG3 LYS 52 HG1 LYS 52 5.115 -13.881 7.310 400 HD2 LYS 52 HD2 LYS 52 7.540 -13.245 7.117 401 HD3 LYS 52 HD1 LYS 52 7.094 -12.256 5.724 402 HE2 LYS 52 HE2 LYS 52 5.465 -11.059 7.188 403 HE3 LYS 52 HE1 LYS 52 6.113 -11.957 8.558 404 HZ1 LYS 52 HZ1 LYS 52 7.128 -9.790 8.403 405 HZ2 LYS 52 HZ2 LYS 52 7.635 -10.092 6.815 406 HZ3 LYS 52 HZ3 LYS 52 8.288 -10.983 8.101 407 H ASN 53 H ASN 53 6.037 -16.850 3.048 408 HA ASN 53 HA ASN 53 8.600 -18.054 3.574 409 HB2 ASN 53 HB2 ASN 53 7.703 -20.021 2.441 410 HB3 ASN 53 HB1 ASN 53 6.533 -19.403 3.600 411 HD21 ASN 53 HD21 ASN 53 7.277 -19.859 0.243 412 HD22 ASN 53 HD22 ASN 53 5.700 -19.496 -0.366 413 H SER 54 H SER 54 7.441 -15.977 1.224 414 HA SER 54 HA SER 54 9.303 -16.986 -0.812 415 HB2 SER 54 HB2 SER 54 6.997 -15.046 -1.114 416 HB3 SER 54 HB1 SER 54 8.001 -15.672 -2.421 417 HG SER 54 HG SER 54 7.261 -17.822 -1.546 418 H VAL 55 H VAL 55 11.062 -15.816 -1.337 419 HA VAL 55 HA VAL 55 11.173 -13.026 -0.440 420 HB VAL 55 HB VAL 55 12.629 -14.662 0.833 421 HG11 VAL 55 HG11 VAL 55 13.341 -16.110 -0.936 422 HG12 VAL 55 HG12 VAL 55 14.757 -15.307 -0.261 423 HG13 VAL 55 HG13 VAL 55 14.087 -14.765 -1.798 424 HG21 VAL 55 HG21 VAL 55 14.594 -13.173 0.796 425 HG22 VAL 55 HG22 VAL 55 13.057 -12.317 0.913 426 HG23 VAL 55 HG23 VAL 55 13.915 -12.379 -0.624 427 H GLY 56 H GLY 56 10.641 -14.720 -3.040 428 HA2 GLY 56 HA2 GLY 56 12.621 -14.043 -4.918 429 HA3 GLY 56 HA1 GLY 56 10.969 -14.473 -5.295 430 H ARG 57 H ARG 57 9.363 -12.761 -5.096 431 HA ARG 57 HA ARG 57 10.366 -10.042 -5.211 432 HB2 ARG 57 HB2 ARG 57 9.584 -9.514 -7.372 433 HB3 ARG 57 HB1 ARG 57 10.544 -10.975 -7.536 434 HG2 ARG 57 HG2 ARG 57 8.577 -12.320 -7.735 435 HG3 ARG 57 HG1 ARG 57 7.541 -10.937 -7.362 436 HD2 ARG 57 HD2 ARG 57 8.382 -9.802 -9.368 437 HD3 ARG 57 HD1 ARG 57 9.346 -11.224 -9.752 438 HE ARG 57 HE ARG 57 6.592 -11.880 -9.443 439 HH11 ARG 57 HH11 ARG 57 8.893 -10.489 -11.682 440 HH12 ARG 57 HH12 ARG 57 7.975 -10.916 -13.091 441 HH21 ARG 57 HH21 ARG 57 5.376 -12.438 -11.291 442 HH22 ARG 57 HH22 ARG 57 5.970 -12.031 -12.869 443 H TRP 58 H TRP 58 8.661 -8.445 -5.271 444 HA TRP 58 HA TRP 58 6.297 -9.326 -3.822 445 HB2 TRP 58 HB2 TRP 58 7.293 -6.562 -4.565 446 HB3 TRP 58 HB1 TRP 58 5.848 -6.880 -3.615 447 HD1 TRP 58 HD1 TRP 58 9.678 -7.424 -3.376 448 HE1 TRP 58 HE1 TRP 58 10.333 -7.347 -0.888 449 HE3 TRP 58 HE3 TRP 58 5.016 -6.992 -1.325 450 HZ2 TRP 58 HZ2 TRP 58 9.043 -7.128 1.612 451 HZ3 TRP 58 HZ3 TRP 58 4.813 -6.853 1.122 452 HH2 TRP 58 HH2 TRP 58 6.787 -6.920 2.559 453 H LYS 59 H LYS 59 4.335 -9.538 -4.732 454 HA LYS 59 HA LYS 59 4.012 -9.158 -7.558 455 HB2 LYS 59 HB2 LYS 59 2.058 -9.893 -5.374 456 HB3 LYS 59 HB1 LYS 59 1.635 -9.818 -7.079 457 HG2 LYS 59 HG2 LYS 59 3.225 -11.577 -7.579 458 HG3 LYS 59 HG1 LYS 59 3.726 -11.627 -5.887 459 HD2 LYS 59 HD2 LYS 59 1.572 -12.402 -5.199 460 HD3 LYS 59 HD1 LYS 59 0.902 -12.129 -6.809 461 HE2 LYS 59 HE2 LYS 59 2.316 -13.860 -7.721 462 HE3 LYS 59 HE1 LYS 59 3.088 -14.098 -6.154 463 HZ1 LYS 59 HZ1 LYS 59 0.980 -14.835 -5.262 464 HZ2 LYS 59 HZ2 LYS 59 1.402 -15.772 -6.603 465 HZ3 LYS 59 HZ3 LYS 59 0.220 -14.574 -6.751 466 H GLU 60 H GLU 60 2.929 -7.528 -8.612 467 HA GLU 60 HA GLU 60 2.344 -5.188 -6.926 468 HB2 GLU 60 HB2 GLU 60 3.381 -5.264 -9.764 469 HB3 GLU 60 HB1 GLU 60 3.030 -3.807 -8.848 470 HG2 GLU 60 HG2 GLU 60 4.759 -4.436 -7.227 471 HG3 GLU 60 HG1 GLU 60 5.135 -5.856 -8.198 472 H ALA 61 H ALA 61 0.520 -4.059 -7.225 473 HA ALA 61 HA ALA 61 -1.131 -4.612 -9.587 474 HB1 ALA 61 HB1 ALA 61 -2.167 -4.407 -6.760 475 HB2 ALA 61 HB2 ALA 61 -2.093 -5.878 -7.729 476 HB3 ALA 61 HB3 ALA 61 -3.155 -4.556 -8.212 477 H THR 62 H THR 62 -1.970 -2.788 -10.508 478 HA THR 62 HA THR 62 -1.296 -0.258 -9.169 479 HB THR 62 HB THR 62 -1.827 -0.693 -12.112 480 HG1 THR 62 HG1 THR 62 0.636 -0.586 -10.667 481 HG21 THR 62 HG21 THR 62 -0.714 1.481 -12.360 482 HG22 THR 62 HG22 THR 62 -0.549 1.596 -10.608 483 HG23 THR 62 HG23 THR 62 -2.152 1.610 -11.346 484 H ILE 63 H ILE 63 -2.971 0.639 -8.200 485 HA ILE 63 HA ILE 63 -5.651 0.362 -9.404 486 HB ILE 63 HB ILE 63 -4.966 1.081 -6.543 487 HG12 ILE 63 HG12 ILE 63 -6.165 -1.261 -6.232 488 HG13 ILE 63 HG11 ILE 63 -5.545 -1.540 -7.853 489 HG21 ILE 63 HG21 ILE 63 -7.097 1.993 -7.339 490 HG22 ILE 63 HG22 ILE 63 -7.327 0.766 -6.094 491 HG23 ILE 63 HG23 ILE 63 -7.614 0.368 -7.787 492 HD11 ILE 63 HD11 ILE 63 -3.897 -0.822 -5.437 493 HD12 ILE 63 HD12 ILE 63 -3.279 -1.113 -7.065 494 HD13 ILE 63 HD13 ILE 63 -4.043 -2.423 -6.165 495 HA PRO 64 HA PRO 64 -5.377 4.713 -10.567 496 HB2 PRO 64 HB2 PRO 64 -8.327 4.333 -10.257 497 HB3 PRO 64 HB1 PRO 64 -7.426 5.115 -11.562 498 HG2 PRO 64 HG2 PRO 64 -8.412 2.666 -11.883 499 HG3 PRO 64 HG1 PRO 64 -6.818 3.097 -12.532 500 HD2 PRO 64 HD2 PRO 64 -7.513 1.436 -10.165 501 HD3 PRO 64 HD1 PRO 64 -6.129 1.312 -11.267 502 H GLY 65 H GLY 65 -5.504 6.637 -9.464 503 HA2 GLY 65 HA2 GLY 65 -5.617 6.364 -6.609 504 HA3 GLY 65 HA1 GLY 65 -5.196 7.813 -7.504 505 H HIS 66 H HIS 66 -8.157 5.863 -7.422 506 HA HIS 66 HA HIS 66 -9.602 7.780 -5.885 507 HB2 HIS 66 HB2 HIS 66 -11.297 8.259 -7.734 508 HB3 HIS 66 HB1 HIS 66 -9.761 9.104 -7.835 509 HD1 HIS 66 HD1 HIS 66 -8.690 9.051 -10.063 510 HD2 HIS 66 HD2 HIS 66 -11.289 5.849 -9.519 511 HE1 HIS 66 HE1 HIS 66 -8.722 7.822 -12.255 512 HE2 HIS 66 HE2 HIS 66 -10.276 5.873 -11.896 513 H LEU 67 H LEU 67 -8.990 4.854 -6.220 514 HA LEU 67 HA LEU 67 -11.770 3.877 -6.157 515 HB2 LEU 67 HB2 LEU 67 -9.230 2.329 -6.685 516 HB3 LEU 67 HB1 LEU 67 -10.832 1.627 -6.575 517 HG LEU 67 HG LEU 67 -9.820 3.508 -8.703 518 HD11 LEU 67 HD11 LEU 67 -10.222 1.632 -10.190 519 HD12 LEU 67 HD12 LEU 67 -10.766 0.652 -8.830 520 HD13 LEU 67 HD13 LEU 67 -9.090 1.189 -8.915 521 HD21 LEU 67 HD21 LEU 67 -12.028 3.242 -9.741 522 HD22 LEU 67 HD22 LEU 67 -12.123 4.067 -8.187 523 HD23 LEU 67 HD23 LEU 67 -12.585 2.370 -8.313 524 H ASN 68 H ASN 68 -8.558 3.305 -4.695 525 HA ASN 68 HA ASN 68 -7.923 2.867 -2.555 526 HB2 ASN 68 HB2 ASN 68 -10.554 4.242 -1.965 527 HB3 ASN 68 HB1 ASN 68 -9.356 3.837 -0.739 528 HD21 ASN 68 HD21 ASN 68 -7.533 5.056 -0.549 529 HD22 ASN 68 HD22 ASN 68 -7.250 6.504 -1.462 530 H SER 69 H SER 69 -9.144 0.787 -3.950 531 HA SER 69 HA SER 69 -9.698 -1.027 -1.846 532 HB2 SER 69 HB2 SER 69 -11.927 0.057 -1.996 533 HB3 SER 69 HB1 SER 69 -12.005 -0.361 -3.704 534 HG SER 69 HG SER 69 -12.594 -2.307 -3.183 535 H TYR 70 H TYR 70 -9.095 -3.017 -2.510 536 HA TYR 70 HA TYR 70 -9.191 -3.684 -5.347 537 HB2 TYR 70 HB2 TYR 70 -6.974 -2.632 -4.963 538 HB3 TYR 70 HB1 TYR 70 -6.630 -3.843 -3.735 539 HD1 TYR 70 HD1 TYR 70 -5.548 -5.805 -4.339 540 HD2 TYR 70 HD2 TYR 70 -7.497 -3.522 -7.351 541 HE1 TYR 70 HE1 TYR 70 -4.607 -7.288 -6.060 542 HE2 TYR 70 HE2 TYR 70 -6.563 -4.998 -9.082 543 HH TYR 70 HH TYR 70 -5.123 -7.983 -8.372 544 H THR 71 H THR 71 -9.357 -5.873 -5.735 545 HA THR 71 HA THR 71 -9.598 -7.561 -3.341 546 HB THR 71 HB THR 71 -10.756 -8.009 -6.102 547 HG1 THR 71 HG1 THR 71 -11.642 -6.647 -3.854 548 HG21 THR 71 HG21 THR 71 -10.334 -10.092 -4.859 549 HG22 THR 71 HG22 THR 71 -12.060 -9.780 -5.038 550 HG23 THR 71 HG23 THR 71 -11.262 -9.461 -3.498 551 H ILE 72 H ILE 72 -7.587 -8.382 -3.038 552 HA ILE 72 HA ILE 72 -5.876 -9.157 -5.207 553 HB ILE 72 HB ILE 72 -5.575 -9.933 -2.304 554 HG12 ILE 72 HG12 ILE 72 -4.514 -7.468 -3.707 555 HG13 ILE 72 HG11 ILE 72 -5.805 -7.480 -2.509 556 HG21 ILE 72 HG21 ILE 72 -3.581 -9.666 -4.550 557 HG22 ILE 72 HG22 ILE 72 -4.170 -11.172 -3.847 558 HG23 ILE 72 HG23 ILE 72 -3.192 -10.071 -2.877 559 HD11 ILE 72 HD11 ILE 72 -3.847 -6.798 -1.385 560 HD12 ILE 72 HD12 ILE 72 -2.898 -8.103 -2.107 561 HD13 ILE 72 HD13 ILE 72 -4.134 -8.475 -0.906 562 H LYS 73 H LYS 73 -5.959 -11.026 -6.283 563 HA LYS 73 HA LYS 73 -7.372 -13.279 -5.025 564 HB2 LYS 73 HB2 LYS 73 -6.834 -12.834 -7.964 565 HB3 LYS 73 HB1 LYS 73 -7.805 -14.118 -7.263 566 HG2 LYS 73 HG2 LYS 73 -9.357 -12.369 -6.393 567 HG3 LYS 73 HG1 LYS 73 -8.429 -11.176 -7.307 568 HD2 LYS 73 HD2 LYS 73 -8.878 -12.523 -9.364 569 HD3 LYS 73 HD1 LYS 73 -9.952 -13.536 -8.401 570 HE2 LYS 73 HE2 LYS 73 -11.301 -11.930 -9.525 571 HE3 LYS 73 HE1 LYS 73 -11.243 -11.475 -7.824 572 HZ1 LYS 73 HZ1 LYS 73 -10.967 -9.569 -9.308 573 HZ2 LYS 73 HZ2 LYS 73 -9.578 -10.268 -9.970 574 HZ3 LYS 73 HZ3 LYS 73 -9.596 -9.801 -8.345 575 H GLY 74 H GLY 74 -6.471 -15.343 -5.109 576 HA2 GLY 74 HA2 GLY 74 -4.791 -16.914 -5.679 577 HA3 GLY 74 HA1 GLY 74 -3.737 -15.586 -6.143 578 H LEU 75 H LEU 75 -5.476 -15.298 -3.198 579 HA LEU 75 HA LEU 75 -2.970 -15.462 -1.715 580 HB2 LEU 75 HB2 LEU 75 -5.711 -14.480 -0.928 581 HB3 LEU 75 HB1 LEU 75 -4.328 -14.504 0.148 582 HG LEU 75 HG LEU 75 -4.564 -12.873 -2.384 583 HD11 LEU 75 HD11 LEU 75 -5.970 -12.006 -0.660 584 HD12 LEU 75 HD12 LEU 75 -4.543 -10.980 -0.801 585 HD13 LEU 75 HD13 LEU 75 -4.673 -12.134 0.525 586 HD21 LEU 75 HD21 LEU 75 -2.267 -13.541 -2.022 587 HD22 LEU 75 HD22 LEU 75 -2.358 -13.034 -0.337 588 HD23 LEU 75 HD23 LEU 75 -2.466 -11.835 -1.626 589 H LYS 76 H LYS 76 -2.447 -17.149 -0.526 590 HA LYS 76 HA LYS 76 -4.325 -19.336 -0.232 591 HB2 LYS 76 HB2 LYS 76 -1.437 -19.087 0.640 592 HB3 LYS 76 HB1 LYS 76 -2.383 -20.571 0.623 593 HG2 LYS 76 HG2 LYS 76 -2.482 -20.590 -1.742 594 HG3 LYS 76 HG1 LYS 76 -1.856 -18.946 -1.848 595 HD2 LYS 76 HD2 LYS 76 -0.119 -20.533 -2.423 596 HD3 LYS 76 HD1 LYS 76 0.284 -19.724 -0.908 597 HE2 LYS 76 HE2 LYS 76 -0.493 -21.656 0.348 598 HE3 LYS 76 HE1 LYS 76 -0.967 -22.458 -1.150 599 HZ1 LYS 76 HZ1 LYS 76 1.172 -23.246 -0.348 600 HZ2 LYS 76 HZ2 LYS 76 1.802 -21.678 -0.416 601 HZ3 LYS 76 HZ3 LYS 76 1.342 -22.464 -1.839 602 HA PRO 77 HA PRO 77 -5.560 -17.840 3.781 603 HB2 PRO 77 HB2 PRO 77 -7.123 -19.958 4.458 604 HB3 PRO 77 HB1 PRO 77 -7.635 -18.705 3.322 605 HG2 PRO 77 HG2 PRO 77 -6.530 -21.429 2.765 606 HG3 PRO 77 HG1 PRO 77 -7.879 -20.586 1.981 607 HD2 PRO 77 HD2 PRO 77 -5.412 -20.724 0.877 608 HD3 PRO 77 HD1 PRO 77 -6.483 -19.327 0.647 609 H GLY 78 H GLY 78 -4.723 -18.023 5.775 610 HA2 GLY 78 HA2 GLY 78 -3.790 -19.076 7.644 611 HA3 GLY 78 HA1 GLY 78 -3.651 -20.561 6.713 612 H VAL 79 H VAL 79 -2.491 -18.145 4.820 613 HA VAL 79 HA VAL 79 0.278 -18.695 5.635 614 HB VAL 79 HB VAL 79 -0.818 -17.772 2.966 615 HG11 VAL 79 HG11 VAL 79 1.404 -16.842 3.363 616 HG12 VAL 79 HG12 VAL 79 1.446 -18.090 2.113 617 HG13 VAL 79 HG13 VAL 79 2.011 -18.456 3.743 618 HG21 VAL 79 HG21 VAL 79 0.357 -20.399 3.845 619 HG22 VAL 79 HG22 VAL 79 -0.034 -19.972 2.180 620 HG23 VAL 79 HG23 VAL 79 -1.318 -20.095 3.385 621 H VAL 80 H VAL 80 1.675 -17.015 6.065 622 HA VAL 80 HA VAL 80 0.410 -14.483 6.675 623 HB VAL 80 HB VAL 80 3.320 -15.200 7.039 624 HG11 VAL 80 HG11 VAL 80 3.260 -13.472 8.766 625 HG12 VAL 80 HG12 VAL 80 1.564 -13.160 8.398 626 HG13 VAL 80 HG13 VAL 80 2.805 -12.823 7.192 627 HG21 VAL 80 HG21 VAL 80 2.768 -15.842 9.328 628 HG22 VAL 80 HG22 VAL 80 1.932 -16.871 8.165 629 HG23 VAL 80 HG23 VAL 80 1.056 -15.586 8.996 630 H TYR 81 H TYR 81 0.191 -13.030 5.109 631 HA TYR 81 HA TYR 81 2.272 -12.830 3.051 632 HB2 TYR 81 HB2 TYR 81 -0.601 -11.943 3.150 633 HB3 TYR 81 HB1 TYR 81 0.515 -11.298 1.954 634 HD1 TYR 81 HD1 TYR 81 1.169 -12.579 0.062 635 HD2 TYR 81 HD2 TYR 81 -1.187 -14.360 3.123 636 HE1 TYR 81 HE1 TYR 81 0.711 -14.490 -1.413 637 HE2 TYR 81 HE2 TYR 81 -1.649 -16.279 1.657 638 HH TYR 81 HH TYR 81 0.058 -16.842 -1.232 639 H GLU 82 H GLU 82 3.368 -10.961 2.662 640 HA GLU 82 HA GLU 82 3.022 -8.762 4.586 641 HB2 GLU 82 HB2 GLU 82 5.249 -9.157 2.573 642 HB3 GLU 82 HB1 GLU 82 5.230 -8.034 3.924 643 HG2 GLU 82 HG2 GLU 82 5.283 -9.904 5.485 644 HG3 GLU 82 HG1 GLU 82 5.288 -11.034 4.132 645 H GLY 83 H GLY 83 2.274 -6.791 3.890 646 HA2 GLY 83 HA2 GLY 83 1.921 -6.472 0.977 647 HA3 GLY 83 HA1 GLY 83 0.598 -6.163 2.091 648 H GLN 84 H GLN 84 2.101 -4.464 0.152 649 HA GLN 84 HA GLN 84 2.572 -2.236 2.016 650 HB2 GLN 84 HB2 GLN 84 4.150 -2.727 -0.518 651 HB3 GLN 84 HB1 GLN 84 4.386 -1.417 0.627 652 HG2 GLN 84 HG2 GLN 84 5.034 -3.086 2.332 653 HG3 GLN 84 HG1 GLN 84 4.895 -4.341 1.103 654 HE21 GLN 84 HE21 GLN 84 6.385 -4.425 -0.563 655 HE22 GLN 84 HE22 GLN 84 7.891 -3.575 -0.509 656 H LEU 85 H LEU 85 1.240 -0.593 1.592 657 HA LEU 85 HA LEU 85 0.095 -0.356 -1.097 658 HB2 LEU 85 HB2 LEU 85 -1.381 -0.271 0.957 659 HB3 LEU 85 HB1 LEU 85 -0.607 1.244 1.371 660 HG LEU 85 HG LEU 85 -2.879 1.408 0.252 661 HD11 LEU 85 HD11 LEU 85 -1.336 3.314 0.374 662 HD12 LEU 85 HD12 LEU 85 -2.294 3.321 -1.107 663 HD13 LEU 85 HD13 LEU 85 -0.608 2.805 -1.152 664 HD21 LEU 85 HD21 LEU 85 -2.995 1.153 -2.147 665 HD22 LEU 85 HD22 LEU 85 -2.495 -0.369 -1.410 666 HD23 LEU 85 HD23 LEU 85 -1.304 0.658 -2.207 667 H ILE 86 H ILE 86 1.262 0.787 -2.451 668 HA ILE 86 HA ILE 86 2.898 3.006 -1.416 669 HB ILE 86 HB ILE 86 3.191 1.617 -4.078 670 HG12 ILE 86 HG12 ILE 86 4.894 1.087 -1.652 671 HG13 ILE 86 HG11 ILE 86 3.454 0.134 -1.987 672 HG21 ILE 86 HG21 ILE 86 5.444 2.586 -4.020 673 HG22 ILE 86 HG22 ILE 86 5.068 3.354 -2.478 674 HG23 ILE 86 HG23 ILE 86 4.198 3.831 -3.936 675 HD11 ILE 86 HD11 ILE 86 5.814 0.427 -3.824 676 HD12 ILE 86 HD12 ILE 86 4.385 -0.576 -4.097 677 HD13 ILE 86 HD13 ILE 86 5.488 -0.950 -2.771 678 H SER 87 H SER 87 1.750 4.839 -1.594 679 HA SER 87 HA SER 87 0.040 5.249 -3.917 680 HB2 SER 87 HB2 SER 87 -0.599 7.355 -2.675 681 HB3 SER 87 HB1 SER 87 -0.968 5.852 -1.832 682 HG SER 87 HG SER 87 1.309 7.494 -1.395 683 H ILE 88 H ILE 88 0.847 6.146 -5.687 684 HA ILE 88 HA ILE 88 3.230 7.840 -5.493 685 HB ILE 88 HB ILE 88 1.850 7.030 -8.046 686 HG12 ILE 88 HG12 ILE 88 2.330 4.978 -6.784 687 HG13 ILE 88 HG11 ILE 88 3.368 5.112 -8.197 688 HG21 ILE 88 HG21 ILE 88 4.696 7.807 -7.417 689 HG22 ILE 88 HG22 ILE 88 3.491 8.818 -8.211 690 HG23 ILE 88 HG23 ILE 88 4.082 7.361 -9.009 691 HD11 ILE 88 HD11 ILE 88 5.203 5.848 -6.785 692 HD12 ILE 88 HD12 ILE 88 4.576 4.284 -6.261 693 HD13 ILE 88 HD13 ILE 88 4.161 5.746 -5.366 694 H GLN 89 H GLN 89 2.750 9.899 -5.034 695 HA GLN 89 HA GLN 89 0.297 11.099 -6.014 696 HB2 GLN 89 HB2 GLN 89 2.550 12.370 -4.453 697 HB3 GLN 89 HB1 GLN 89 0.950 13.049 -4.717 698 HG2 GLN 89 HG2 GLN 89 0.096 10.932 -3.533 699 HG3 GLN 89 HG1 GLN 89 1.760 10.756 -2.978 700 HE21 GLN 89 HE21 GLN 89 1.279 11.119 -0.832 701 HE22 GLN 89 HE22 GLN 89 0.772 12.664 -0.225 702 H GLN 90 H GLN 90 0.322 13.153 -7.136 703 HA GLN 90 HA GLN 90 1.790 12.923 -9.541 704 HB2 GLN 90 HB2 GLN 90 0.653 14.990 -10.200 705 HB3 GLN 90 HB1 GLN 90 -0.466 13.836 -9.488 706 HG2 GLN 90 HG2 GLN 90 -0.468 15.055 -7.410 707 HG3 GLN 90 HG1 GLN 90 0.758 16.163 -8.024 708 HE21 GLN 90 HE21 GLN 90 -1.901 16.755 -7.028 709 HE22 GLN 90 HE22 GLN 90 -2.733 17.544 -8.321 710 H TYR 91 H TYR 91 2.791 14.129 -6.627 711 HA TYR 91 HA TYR 91 4.639 16.044 -7.865 712 HB2 TYR 91 HB2 TYR 91 3.845 15.634 -4.981 713 HB3 TYR 91 HB1 TYR 91 5.107 16.745 -5.501 714 HD1 TYR 91 HD1 TYR 91 4.483 18.650 -7.020 715 HD2 TYR 91 HD2 TYR 91 1.568 16.274 -5.039 716 HE1 TYR 91 HE1 TYR 91 2.812 20.409 -7.384 717 HE2 TYR 91 HE2 TYR 91 -0.117 18.031 -5.399 718 HH TYR 91 HH TYR 91 0.440 20.707 -7.495 719 H GLY 92 H GLY 92 4.673 12.970 -7.688 720 HA2 GLY 92 HA2 GLY 92 6.423 11.480 -7.847 721 HA3 GLY 92 HA1 GLY 92 7.526 12.796 -7.465 722 H HIS 93 H HIS 93 5.044 12.508 -5.200 723 HA HIS 93 HA HIS 93 6.875 11.457 -3.224 724 HB2 HIS 93 HB2 HIS 93 4.093 12.586 -3.111 725 HB3 HIS 93 HB1 HIS 93 4.743 11.690 -1.745 726 HD1 HIS 93 HD1 HIS 93 4.995 13.579 -0.125 727 HD2 HIS 93 HD2 HIS 93 6.810 14.360 -3.781 728 HE1 HIS 93 HE1 HIS 93 6.311 15.692 0.215 729 HE2 HIS 93 HE2 HIS 93 7.470 16.102 -1.984 730 H GLN 94 H GLN 94 7.044 9.379 -2.729 731 HA GLN 94 HA GLN 94 4.759 7.628 -3.340 732 HB2 GLN 94 HB2 GLN 94 7.638 6.809 -2.911 733 HB3 GLN 94 HB1 GLN 94 6.317 5.779 -3.442 734 HG2 GLN 94 HG2 GLN 94 6.144 7.184 -5.492 735 HG3 GLN 94 HG1 GLN 94 7.601 8.027 -4.968 736 HE21 GLN 94 HE21 GLN 94 7.167 6.438 -7.357 737 HE22 GLN 94 HE22 GLN 94 8.327 5.155 -7.312 738 H GLU 95 H GLU 95 3.632 7.095 -1.621 739 HA GLU 95 HA GLU 95 4.976 6.998 0.990 740 HB2 GLU 95 HB2 GLU 95 2.210 7.723 0.144 741 HB3 GLU 95 HB1 GLU 95 2.418 6.966 1.715 742 HG2 GLU 95 HG2 GLU 95 2.363 9.419 1.820 743 HG3 GLU 95 HG1 GLU 95 3.860 8.735 2.442 744 H VAL 96 H VAL 96 5.340 5.067 1.811 745 HA VAL 96 HA VAL 96 3.852 2.786 0.695 746 HB VAL 96 HB VAL 96 6.585 2.753 1.986 747 HG11 VAL 96 HG11 VAL 96 5.084 0.635 0.451 748 HG12 VAL 96 HG12 VAL 96 5.407 0.637 2.184 749 HG13 VAL 96 HG13 VAL 96 6.741 0.495 1.038 750 HG21 VAL 96 HG21 VAL 96 5.829 2.717 -0.933 751 HG22 VAL 96 HG22 VAL 96 7.446 2.404 -0.305 752 HG23 VAL 96 HG23 VAL 96 6.706 3.990 -0.086 753 H THR 97 H THR 97 2.253 2.319 2.071 754 HA THR 97 HA THR 97 2.816 2.266 4.945 755 HB THR 97 HB THR 97 0.155 1.815 3.578 756 HG1 THR 97 HG1 THR 97 -0.126 4.102 4.391 757 HG21 THR 97 HG21 THR 97 0.249 0.995 5.865 758 HG22 THR 97 HG22 THR 97 -0.739 2.454 5.794 759 HG23 THR 97 HG23 THR 97 0.909 2.534 6.415 760 H ARG 98 H ARG 98 3.538 0.416 5.744 761 HA ARG 98 HA ARG 98 3.148 -2.034 4.208 762 HB2 ARG 98 HB2 ARG 98 5.000 -1.408 6.511 763 HB3 ARG 98 HB1 ARG 98 4.935 -2.949 5.664 764 HG2 ARG 98 HG2 ARG 98 5.547 -1.804 3.578 765 HG3 ARG 98 HG1 ARG 98 5.666 -0.288 4.465 766 HD2 ARG 98 HD2 ARG 98 7.479 -1.136 5.785 767 HD3 ARG 98 HD1 ARG 98 7.288 -2.748 5.092 768 HE ARG 98 HE ARG 98 7.818 -1.503 2.891 769 HH11 ARG 98 HH11 ARG 98 9.221 -0.796 6.025 770 HH12 ARG 98 HH12 ARG 98 10.697 -0.174 5.359 771 HH21 ARG 98 HH21 ARG 98 9.751 -0.675 2.019 772 HH22 ARG 98 HH22 ARG 98 10.997 -0.100 3.080 773 H PHE 99 H PHE 99 2.102 -3.781 4.897 774 HA PHE 99 HA PHE 99 1.166 -4.001 7.636 775 HB2 PHE 99 HB2 PHE 99 -1.206 -4.267 6.938 776 HB3 PHE 99 HB1 PHE 99 -0.597 -2.643 6.645 777 HD1 PHE 99 HD1 PHE 99 -2.026 -5.607 5.175 778 HD2 PHE 99 HD2 PHE 99 -0.004 -1.960 4.315 779 HE1 PHE 99 HE1 PHE 99 -2.748 -5.762 2.829 780 HE2 PHE 99 HE2 PHE 99 -0.722 -2.112 1.968 781 HZ PHE 99 HZ PHE 99 -2.095 -4.013 1.222 782 H ASP 100 H ASP 100 -0.400 -6.070 7.624 783 HA ASP 100 HA ASP 100 0.580 -8.086 5.750 784 HB2 ASP 100 HB2 ASP 100 0.990 -9.705 7.564 785 HB3 ASP 100 HB1 ASP 100 2.056 -8.313 7.698 786 H PHE 101 H PHE 101 -0.799 -10.068 5.821 787 HA PHE 101 HA PHE 101 -3.386 -9.750 7.038 788 HB2 PHE 101 HB2 PHE 101 -4.613 -9.777 4.844 789 HB3 PHE 101 HB1 PHE 101 -3.782 -8.273 5.217 790 HD1 PHE 101 HD1 PHE 101 -3.895 -11.184 3.024 791 HD2 PHE 101 HD2 PHE 101 -1.842 -7.575 3.942 792 HE1 PHE 101 HE1 PHE 101 -2.769 -11.273 0.841 793 HE2 PHE 101 HE2 PHE 101 -0.712 -7.659 1.759 794 HZ PHE 101 HZ PHE 101 -1.178 -9.509 0.205 795 H THR 102 H THR 102 -4.947 -11.441 6.095 796 HA THR 102 HA THR 102 -5.517 -13.591 5.691 797 HB THR 102 HB THR 102 -2.656 -14.064 4.827 798 HG1 THR 102 HG1 THR 102 -4.273 -13.957 2.757 799 HG21 THR 102 HG21 THR 102 -5.199 -15.597 4.262 800 HG22 THR 102 HG22 THR 102 -3.891 -16.121 5.322 801 HG23 THR 102 HG23 THR 102 -3.609 -15.956 3.589 802 H THR 103 H THR 103 -2.470 -13.092 7.383 803 HA THR 103 HA THR 103 -2.617 -15.479 8.932 804 HB THR 103 HB THR 103 -0.480 -14.365 8.551 805 HG1 THR 103 HG1 THR 103 -0.519 -13.945 11.244 806 HG21 THR 103 HG21 THR 103 -1.601 -12.127 10.238 807 HG22 THR 103 HG22 THR 103 -1.219 -12.047 8.518 808 HG23 THR 103 HG23 THR 103 0.074 -12.261 9.699 809 H THR 104 H THR 104 -4.004 -12.315 9.207 810 HA THR 104 HA THR 104 -4.622 -12.526 12.003 811 HB THR 104 HB THR 104 -5.832 -10.631 9.979 812 HG1 THR 104 HG1 THR 104 -4.109 -9.218 10.918 813 HG21 THR 104 HG21 THR 104 -6.201 -9.190 11.915 814 HG22 THR 104 HG22 THR 104 -5.468 -10.398 12.971 815 HG23 THR 104 HG23 THR 104 -6.988 -10.752 12.151 816 H SER 105 H SER 105 -5.677 -14.561 12.032 817 HA SER 105 HA SER 105 -8.512 -14.397 11.518 818 HB2 SER 105 HB2 SER 105 -7.455 -15.218 9.359 819 HB3 SER 105 HB1 SER 105 -6.943 -16.653 10.246 820 HG SER 105 HG SER 105 -9.599 -15.760 9.777 821 H THR 106 H THR 106 -7.478 -14.417 13.936 822 HA THR 106 HA THR 106 -7.278 -17.143 14.936 823 HB THR 106 HB THR 106 -7.016 -15.963 17.170 824 HG1 THR 106 HG1 THR 106 -6.803 -13.769 17.170 825 HG21 THR 106 HG21 THR 106 -5.060 -15.274 14.973 826 HG22 THR 106 HG22 THR 106 -5.095 -16.775 15.895 827 HG23 THR 106 HG23 THR 106 -4.712 -15.255 16.701 828 H SER 107 H SER 107 -9.767 -16.313 13.760 829 HA SER 107 HA SER 107 -11.613 -15.755 15.902 830 HB2 SER 107 HB2 SER 107 -12.182 -16.490 13.020 831 HB3 SER 107 HB1 SER 107 -13.308 -15.754 14.160 832 HG SER 107 HG SER 107 -11.018 -14.317 14.007 833 H THR 108 H THR 108 -10.583 -17.831 16.888 834 HA THR 108 HA THR 108 -11.570 -20.336 15.956 835 HB THR 108 HB THR 108 -10.407 -19.654 18.660 836 HG1 THR 108 HG1 THR 108 -9.301 -20.029 16.129 837 HG21 THR 108 HG21 THR 108 -10.566 -22.298 17.205 838 HG22 THR 108 HG22 THR 108 -11.592 -21.823 18.558 839 HG23 THR 108 HG23 THR 108 -9.856 -22.015 18.794 840 HA PRO 109 HA PRO 109 -14.638 -19.952 19.742 841 HB2 PRO 109 HB2 PRO 109 -15.241 -17.390 20.487 842 HB3 PRO 109 HB1 PRO 109 -14.030 -18.388 21.296 843 HG2 PRO 109 HG2 PRO 109 -13.652 -16.278 19.204 844 HG3 PRO 109 HG1 PRO 109 -12.725 -16.557 20.689 845 HD2 PRO 109 HD2 PRO 109 -11.809 -17.368 18.309 846 HD3 PRO 109 HD1 PRO 109 -11.559 -18.341 19.774 847 H GLY 110 H GLY 110 -16.432 -20.470 18.668 848 HA2 GLY 110 HA2 GLY 110 -17.697 -18.396 16.991 849 HA3 GLY 110 HA1 GLY 110 -17.635 -20.083 16.507 850 H SER 111 H SER 111 -18.756 -18.016 19.165 851 HA SER 111 HA SER 111 -20.652 -19.972 20.076 852 HB2 SER 111 HB2 SER 111 -20.451 -17.040 20.803 853 HB3 SER 111 HB1 SER 111 -21.297 -18.295 21.709 854 HG SER 111 HG SER 111 -18.872 -17.555 22.103 855 H ARG 112 H ARG 112 -20.626 -17.840 17.523 856 HA ARG 112 HA ARG 112 -23.549 -17.969 17.327 857 HB2 ARG 112 HB2 ARG 112 -23.593 -15.718 16.351 858 HB3 ARG 112 HB1 ARG 112 -22.959 -15.691 17.989 859 HG2 ARG 112 HG2 ARG 112 -20.669 -15.617 17.053 860 HG3 ARG 112 HG1 ARG 112 -21.372 -15.515 15.437 861 HD2 ARG 112 HD2 ARG 112 -22.562 -13.459 16.140 862 HD3 ARG 112 HD1 ARG 112 -21.729 -13.546 17.691 863 HE ARG 112 HE ARG 112 -19.941 -13.560 15.449 864 HH11 ARG 112 HH11 ARG 112 -21.796 -11.517 17.604 865 HH12 ARG 112 HH12 ARG 112 -20.808 -10.118 17.342 866 HH21 ARG 112 HH21 ARG 112 -18.634 -11.713 15.101 867 HH22 ARG 112 HH22 ARG 112 -19.001 -10.233 15.922 868 H SER 113 H SER 113 -24.368 -18.240 15.247 869 HA SER 113 HA SER 113 -22.389 -19.184 13.318 870 HB2 SER 113 HB2 SER 113 -24.482 -20.160 12.197 871 HB3 SER 113 HB1 SER 113 -24.001 -20.858 13.743 872 HG SER 113 HG SER 113 -25.755 -20.098 14.646 873 H HIS 114 H HIS 114 -21.757 -17.752 11.864 874 HA HIS 114 HA HIS 114 -23.629 -15.669 11.019 875 HB2 HIS 114 HB2 HIS 114 -21.581 -14.656 9.912 876 HB3 HIS 114 HB1 HIS 114 -21.569 -14.706 11.667 877 HD1 HIS 114 HD1 HIS 114 -19.456 -15.501 12.655 878 HD2 HIS 114 HD2 HIS 114 -20.001 -16.963 8.797 879 HE1 HIS 114 HE1 HIS 114 -17.363 -16.786 12.111 880 HE2 HIS 114 HE2 HIS 114 -17.663 -17.555 9.730 881 H HIS 115 H HIS 115 -24.287 -15.395 8.946 882 HA HIS 115 HA HIS 115 -23.962 -17.750 7.244 883 HB2 HIS 115 HB2 HIS 115 -25.987 -15.510 7.233 884 HB3 HIS 115 HB1 HIS 115 -25.902 -16.737 5.975 885 HD1 HIS 115 HD1 HIS 115 -27.034 -18.935 6.435 886 HD2 HIS 115 HD2 HIS 115 -26.737 -16.544 9.824 887 HE1 HIS 115 HE1 HIS 115 -28.401 -20.089 8.198 888 HE2 HIS 115 HE2 HIS 115 -28.090 -18.705 10.278 889 H HIS 116 H HIS 116 -23.393 -17.604 5.080 890 HA HIS 116 HA HIS 116 -21.742 -15.276 4.441 891 HB2 HIS 116 HB2 HIS 116 -21.881 -18.071 3.315 892 HB3 HIS 116 HB1 HIS 116 -20.947 -16.792 2.549 893 HD1 HIS 116 HD1 HIS 116 -18.617 -16.556 3.306 894 HD2 HIS 116 HD2 HIS 116 -20.950 -18.601 6.075 895 HE1 HIS 116 HE1 HIS 116 -17.024 -17.354 5.077 896 HE2 HIS 116 HE2 HIS 116 -18.427 -18.760 6.625 897 H HIS 117 H HIS 117 -23.510 -13.878 3.896 898 HA HIS 117 HA HIS 117 -25.067 -14.641 1.546 899 HB2 HIS 117 HB2 HIS 117 -26.201 -13.579 3.503 900 HB3 HIS 117 HB1 HIS 117 -25.269 -12.116 3.202 901 HD1 HIS 117 HD1 HIS 117 -26.832 -10.462 2.236 902 HD2 HIS 117 HD2 HIS 117 -27.428 -14.260 0.653 903 HE1 HIS 117 HE1 HIS 117 -28.602 -10.190 0.475 904 HE2 HIS 117 HE2 HIS 117 -28.880 -12.479 -0.534 905 H HIS 118 H HIS 118 -22.544 -12.449 2.551 906 HA HIS 118 HA HIS 118 -22.487 -11.060 0.016 907 HB2 HIS 118 HB2 HIS 118 -20.654 -10.980 2.419 908 HB3 HIS 118 HB1 HIS 118 -20.374 -10.038 0.963 909 HD1 HIS 118 HD1 HIS 118 -21.916 -9.811 4.196 910 HD2 HIS 118 HD2 HIS 118 -22.682 -8.211 0.435 911 HE1 HIS 118 HE1 HIS 118 -23.378 -7.805 4.595 912 HE2 HIS 118 HE2 HIS 118 -23.672 -6.758 2.326 913 H HIS 119 H HIS 119 -20.311 -13.231 1.793 914 HA HIS 119 HA HIS 119 -19.425 -14.408 -0.711 915 HB2 HIS 119 HB2 HIS 119 -17.624 -12.893 1.161 916 HB3 HIS 119 HB1 HIS 119 -16.996 -14.215 0.184 917 HD1 HIS 119 HD1 HIS 119 -17.217 -10.699 0.084 918 HD2 HIS 119 HD2 HIS 119 -17.859 -13.709 -2.709 919 HE1 HIS 119 HE1 HIS 119 -17.047 -9.586 -2.161 920 HE2 HIS 119 HE2 HIS 119 -17.258 -11.463 -3.829 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 -7.996 14.678 7.135 2 H2 GLY 1 HT2 GLY 1 -6.817 13.784 6.312 3 H3 GLY 1 HT3 GLY 1 -7.040 15.427 5.957 4 HA2 GLY 1 HA1 GLY 1 -5.081 15.179 7.302 5 HA3 GLY 1 HA2 GLY 1 -6.332 16.030 8.195 6 H SER 2 H SER 2 -5.293 15.394 10.151 7 HA SER 2 HA SER 2 -6.156 12.761 11.033 8 HB2 SER 2 HB2 SER 2 -3.869 12.357 10.303 9 HB3 SER 2 HB1 SER 2 -3.294 13.727 11.250 10 HG SER 2 HG SER 2 -4.540 11.404 12.311 11 H GLN 3 H GLN 3 -4.255 15.582 12.116 12 HA GLN 3 HA GLN 3 -6.193 16.400 14.017 13 HB2 GLN 3 HB2 GLN 3 -5.306 14.409 15.213 14 HB3 GLN 3 HB1 GLN 3 -3.698 15.117 15.158 15 HG2 GLN 3 HG2 GLN 3 -4.484 17.003 16.504 16 HG3 GLN 3 HG1 GLN 3 -6.089 16.281 16.569 17 HE21 GLN 3 HE21 GLN 3 -4.285 16.953 18.743 18 HE22 GLN 3 HE22 GLN 3 -4.020 15.479 19.613 19 H THR 4 H THR 4 -2.632 16.357 14.082 20 HA THR 4 HA THR 4 -2.686 19.278 13.689 21 HB THR 4 HB THR 4 -0.428 19.206 14.904 22 HG1 THR 4 HG1 THR 4 0.205 17.282 15.493 23 HG21 THR 4 HG21 THR 4 -2.946 18.544 16.434 24 HG22 THR 4 HG22 THR 4 -2.430 20.150 15.927 25 HG23 THR 4 HG23 THR 4 -1.489 19.259 17.122 26 H THR 5 H THR 5 -2.074 16.499 12.177 27 HA THR 5 HA THR 5 -0.178 17.760 10.351 28 HB THR 5 HB THR 5 0.160 14.967 11.476 29 HG1 THR 5 HG1 THR 5 1.392 17.443 11.915 30 HG21 THR 5 HG21 THR 5 1.817 16.389 9.387 31 HG22 THR 5 HG22 THR 5 0.691 15.073 9.065 32 HG23 THR 5 HG23 THR 5 2.124 14.783 10.051 33 H ALA 6 H ALA 6 -0.750 17.471 8.277 34 HA ALA 6 HA ALA 6 -2.940 15.591 7.716 35 HB1 ALA 6 HB1 ALA 6 -3.451 17.928 7.242 36 HB2 ALA 6 HB2 ALA 6 -3.408 16.979 5.756 37 HB3 ALA 6 HB3 ALA 6 -2.052 18.025 6.172 38 HA PRO 7 HA PRO 7 0.603 13.529 5.720 39 HB2 PRO 7 HB2 PRO 7 -1.031 11.127 5.900 40 HB3 PRO 7 HB1 PRO 7 0.513 11.479 6.680 41 HG2 PRO 7 HG2 PRO 7 -1.827 11.276 8.047 42 HG3 PRO 7 HG1 PRO 7 -0.483 12.307 8.571 43 HD2 PRO 7 HD2 PRO 7 -3.007 13.057 7.148 44 HD3 PRO 7 HD1 PRO 7 -2.157 13.900 8.462 45 H ASP 8 H ASP 8 0.870 12.644 3.658 46 HA ASP 8 HA ASP 8 -1.473 12.863 1.899 47 HB2 ASP 8 HB2 ASP 8 1.468 12.717 1.190 48 HB3 ASP 8 HB1 ASP 8 0.151 12.920 0.044 49 H ALA 9 H ALA 9 0.100 10.640 3.655 50 HA ALA 9 HA ALA 9 -0.054 8.477 1.691 51 HB1 ALA 9 HB1 ALA 9 1.250 7.182 3.231 52 HB2 ALA 9 HB2 ALA 9 1.071 8.412 4.481 53 HB3 ALA 9 HB3 ALA 9 2.015 8.760 3.033 54 HA PRO 10 HA PRO 10 -3.976 7.121 3.434 55 HB2 PRO 10 HB2 PRO 10 -3.091 4.576 2.181 56 HB3 PRO 10 HB1 PRO 10 -4.614 5.451 1.992 57 HG2 PRO 10 HG2 PRO 10 -2.783 5.460 0.053 58 HG3 PRO 10 HG1 PRO 10 -3.732 6.913 0.424 59 HD2 PRO 10 HD2 PRO 10 -0.906 6.274 1.130 60 HD3 PRO 10 HD1 PRO 10 -1.614 7.805 0.648 61 HA PRO 11 HA PRO 11 -2.235 5.309 7.173 62 HB2 PRO 11 HB2 PRO 11 -5.118 4.856 7.714 63 HB3 PRO 11 HB1 PRO 11 -3.897 5.655 8.709 64 HG2 PRO 11 HG2 PRO 11 -5.759 7.065 7.420 65 HG3 PRO 11 HG1 PRO 11 -4.097 7.661 7.574 66 HD2 PRO 11 HD2 PRO 11 -5.458 6.427 5.220 67 HD3 PRO 11 HD1 PRO 11 -4.283 7.757 5.278 68 H ASP 12 H ASP 12 -2.814 3.256 8.465 69 HA ASP 12 HA ASP 12 -2.015 1.080 7.055 70 HB2 ASP 12 HB2 ASP 12 -3.724 1.160 9.539 71 HB3 ASP 12 HB1 ASP 12 -2.997 -0.314 8.912 72 HA PRO 13 HA PRO 13 -5.726 -0.045 4.767 73 HB2 PRO 13 HB2 PRO 13 -3.996 -1.884 3.338 74 HB3 PRO 13 HB1 PRO 13 -4.815 -0.444 2.730 75 HG2 PRO 13 HG2 PRO 13 -2.112 -0.621 3.011 76 HG3 PRO 13 HG1 PRO 13 -3.006 0.906 3.121 77 HD2 PRO 13 HD2 PRO 13 -1.951 -0.836 5.319 78 HD3 PRO 13 HD1 PRO 13 -1.945 0.935 5.180 79 H THR 14 H THR 14 -7.021 -1.367 5.858 80 HA THR 14 HA THR 14 -5.990 -3.980 6.734 81 HB THR 14 HB THR 14 -8.624 -2.781 7.559 82 HG1 THR 14 HG1 THR 14 -6.020 -2.111 8.360 83 HG21 THR 14 HG21 THR 14 -6.746 -4.740 8.893 84 HG22 THR 14 HG22 THR 14 -8.241 -5.155 8.057 85 HG23 THR 14 HG23 THR 14 -8.293 -4.197 9.537 86 H VAL 15 H VAL 15 -6.963 -5.860 5.979 87 HA VAL 15 HA VAL 15 -8.589 -5.407 3.626 88 HB VAL 15 HB VAL 15 -7.733 -7.302 2.685 89 HG11 VAL 15 HG11 VAL 15 -5.956 -5.683 2.971 90 HG12 VAL 15 HG12 VAL 15 -5.311 -7.321 3.068 91 HG13 VAL 15 HG13 VAL 15 -5.550 -6.379 4.539 92 HG21 VAL 15 HG21 VAL 15 -6.945 -8.333 5.390 93 HG22 VAL 15 HG22 VAL 15 -6.748 -9.174 3.849 94 HG23 VAL 15 HG23 VAL 15 -8.364 -8.831 4.473 95 H ASP 16 H ASP 16 -10.489 -6.433 3.210 96 HA ASP 16 HA ASP 16 -11.741 -7.818 5.491 97 HB2 ASP 16 HB2 ASP 16 -12.969 -5.757 3.652 98 HB3 ASP 16 HB1 ASP 16 -13.903 -6.769 4.746 99 H GLN 17 H GLN 17 -13.644 -9.095 4.858 100 HA GLN 17 HA GLN 17 -14.710 -10.695 3.662 101 HB2 GLN 17 HB2 GLN 17 -14.076 -8.923 1.306 102 HB3 GLN 17 HB1 GLN 17 -15.343 -10.114 1.392 103 HG2 GLN 17 HG2 GLN 17 -15.164 -7.577 2.989 104 HG3 GLN 17 HG1 GLN 17 -16.268 -7.913 1.658 105 HE21 GLN 17 HE21 GLN 17 -16.824 -7.152 4.413 106 HE22 GLN 17 HE22 GLN 17 -17.823 -8.404 5.070 107 H VAL 18 H VAL 18 -12.887 -12.118 4.168 108 HA VAL 18 HA VAL 18 -10.994 -12.638 2.035 109 HB VAL 18 HB VAL 18 -11.400 -14.116 4.644 110 HG11 VAL 18 HG11 VAL 18 -9.158 -15.007 4.248 111 HG12 VAL 18 HG12 VAL 18 -9.097 -14.172 2.696 112 HG13 VAL 18 HG13 VAL 18 -10.265 -15.466 2.954 113 HG21 VAL 18 HG21 VAL 18 -9.454 -12.855 5.434 114 HG22 VAL 18 HG22 VAL 18 -10.793 -11.785 5.015 115 HG23 VAL 18 HG23 VAL 18 -9.424 -11.955 3.917 116 H ASP 19 H ASP 19 -11.340 -13.992 0.434 117 HA ASP 19 HA ASP 19 -13.602 -15.854 0.553 118 HB2 ASP 19 HB2 ASP 19 -11.866 -15.067 -1.803 119 HB3 ASP 19 HB1 ASP 19 -13.319 -16.055 -1.875 120 H ASP 20 H ASP 20 -12.708 -17.667 -1.387 121 HA ASP 20 HA ASP 20 -11.209 -19.528 0.062 122 HB2 ASP 20 HB2 ASP 20 -12.592 -20.258 -1.778 123 HB3 ASP 20 HB1 ASP 20 -11.670 -19.283 -2.918 124 H THR 21 H THR 21 -10.206 -17.359 -2.569 125 HA THR 21 HA THR 21 -7.492 -17.377 -1.503 126 HB THR 21 HB THR 21 -6.803 -17.559 -4.074 127 HG1 THR 21 HG1 THR 21 -9.078 -19.280 -3.874 128 HG21 THR 21 HG21 THR 21 -7.381 -19.910 -2.269 129 HG22 THR 21 HG22 THR 21 -5.894 -18.961 -2.315 130 HG23 THR 21 HG23 THR 21 -6.348 -19.958 -3.697 131 H SER 22 H SER 22 -9.480 -15.324 -1.495 132 HA SER 22 HA SER 22 -7.918 -13.263 -2.774 133 HB2 SER 22 HB2 SER 22 -9.998 -12.253 -3.847 134 HB3 SER 22 HB1 SER 22 -9.334 -13.686 -4.629 135 HG SER 22 HG SER 22 -11.625 -13.492 -2.958 136 H ILE 23 H ILE 23 -8.376 -11.155 -2.020 137 HA ILE 23 HA ILE 23 -10.181 -10.954 0.303 138 HB ILE 23 HB ILE 23 -8.542 -9.702 1.576 139 HG12 ILE 23 HG12 ILE 23 -6.528 -10.251 -0.601 140 HG13 ILE 23 HG11 ILE 23 -7.463 -8.763 -0.539 141 HG21 ILE 23 HG21 ILE 23 -7.276 -12.237 0.543 142 HG22 ILE 23 HG22 ILE 23 -8.494 -12.143 1.816 143 HG23 ILE 23 HG23 ILE 23 -6.900 -11.429 2.066 144 HD11 ILE 23 HD11 ILE 23 -5.217 -9.672 1.149 145 HD12 ILE 23 HD12 ILE 23 -6.481 -8.722 1.928 146 HD13 ILE 23 HD13 ILE 23 -5.610 -8.058 0.537 147 H VAL 24 H VAL 24 -10.646 -8.656 0.851 148 HA VAL 24 HA VAL 24 -10.187 -6.835 -1.426 149 HB VAL 24 HB VAL 24 -12.316 -6.579 0.712 150 HG11 VAL 24 HG11 VAL 24 -13.266 -4.880 -0.778 151 HG12 VAL 24 HG12 VAL 24 -11.901 -5.084 -1.875 152 HG13 VAL 24 HG13 VAL 24 -11.638 -4.451 -0.250 153 HG21 VAL 24 HG21 VAL 24 -12.761 -8.529 -0.679 154 HG22 VAL 24 HG22 VAL 24 -12.592 -7.545 -2.132 155 HG23 VAL 24 HG23 VAL 24 -13.921 -7.243 -1.011 156 H VAL 25 H VAL 25 -8.399 -5.694 -0.951 157 HA VAL 25 HA VAL 25 -7.865 -4.956 1.816 158 HB VAL 25 HB VAL 25 -5.912 -5.769 0.812 159 HG11 VAL 25 HG11 VAL 25 -5.031 -4.847 -1.347 160 HG12 VAL 25 HG12 VAL 25 -6.609 -4.086 -1.572 161 HG13 VAL 25 HG13 VAL 25 -6.481 -5.844 -1.460 162 HG21 VAL 25 HG21 VAL 25 -4.371 -3.870 0.688 163 HG22 VAL 25 HG22 VAL 25 -5.472 -3.735 2.059 164 HG23 VAL 25 HG23 VAL 25 -5.745 -2.766 0.611 165 H ARG 26 H ARG 26 -8.268 -3.045 2.639 166 HA ARG 26 HA ARG 26 -9.118 -0.893 0.814 167 HB2 ARG 26 HB2 ARG 26 -10.302 -1.582 3.509 168 HB3 ARG 26 HB1 ARG 26 -10.857 -0.320 2.419 169 HG2 ARG 26 HG2 ARG 26 -11.632 -1.913 0.837 170 HG3 ARG 26 HG1 ARG 26 -10.848 -3.238 1.698 171 HD2 ARG 26 HD2 ARG 26 -13.215 -3.262 2.155 172 HD3 ARG 26 HD1 ARG 26 -12.333 -2.834 3.618 173 HE ARG 26 HE ARG 26 -13.300 -0.596 2.054 174 HH11 ARG 26 HH11 ARG 26 -13.845 -2.775 4.747 175 HH12 ARG 26 HH12 ARG 26 -15.094 -1.790 5.449 176 HH21 ARG 26 HH21 ARG 26 -14.929 0.709 2.992 177 HH22 ARG 26 HH22 ARG 26 -15.697 0.200 4.462 178 H TRP 27 H TRP 27 -8.157 1.017 1.129 179 HA TRP 27 HA TRP 27 -6.631 1.391 3.609 180 HB2 TRP 27 HB2 TRP 27 -5.436 3.197 2.167 181 HB3 TRP 27 HB1 TRP 27 -5.031 1.504 1.928 182 HD1 TRP 27 HD1 TRP 27 -6.815 4.427 0.205 183 HE1 TRP 27 HE1 TRP 27 -7.093 3.855 -2.295 184 HE3 TRP 27 HE3 TRP 27 -5.224 -0.432 0.301 185 HZ2 TRP 27 HZ2 TRP 27 -6.683 1.641 -3.990 186 HZ3 TRP 27 HZ3 TRP 27 -5.197 -1.705 -1.802 187 HH2 TRP 27 HH2 TRP 27 -5.911 -0.689 -3.903 188 H SER 28 H SER 28 -6.747 3.315 4.714 189 HA SER 28 HA SER 28 -9.276 4.679 4.502 190 HB2 SER 28 HB2 SER 28 -6.969 5.240 6.382 191 HB3 SER 28 HB1 SER 28 -8.655 5.713 6.595 192 HG SER 28 HG SER 28 -7.609 3.608 7.574 193 H ARG 29 H ARG 29 -9.422 7.053 4.466 194 HA ARG 29 HA ARG 29 -7.631 8.121 2.454 195 HB2 ARG 29 HB2 ARG 29 -10.078 9.320 3.762 196 HB3 ARG 29 HB1 ARG 29 -9.175 10.063 2.452 197 HG2 ARG 29 HG2 ARG 29 -10.738 7.495 2.352 198 HG3 ARG 29 HG1 ARG 29 -11.130 9.020 1.554 199 HD2 ARG 29 HD2 ARG 29 -8.778 7.223 0.984 200 HD3 ARG 29 HD1 ARG 29 -10.178 7.492 -0.050 201 HE ARG 29 HE ARG 29 -8.874 9.944 0.482 202 HH11 ARG 29 HH11 ARG 29 -8.565 7.005 -1.395 203 HH12 ARG 29 HH12 ARG 29 -7.522 7.724 -2.590 204 HH21 ARG 29 HH21 ARG 29 -7.535 10.907 -1.097 205 HH22 ARG 29 HH22 ARG 29 -6.981 9.961 -2.444 206 HA PRO 30 HA PRO 30 -5.165 10.268 5.488 207 HB2 PRO 30 HB2 PRO 30 -3.657 11.675 3.722 208 HB3 PRO 30 HB1 PRO 30 -3.384 9.964 4.071 209 HG2 PRO 30 HG2 PRO 30 -4.780 11.229 1.752 210 HG3 PRO 30 HG1 PRO 30 -3.691 9.831 1.780 211 HD2 PRO 30 HD2 PRO 30 -6.406 9.620 1.646 212 HD3 PRO 30 HD1 PRO 30 -5.367 8.385 2.368 213 H1 MET 31 HT1 MET 31 -14.422 30.302 -20.530 214 H2 MET 31 HT2 MET 31 -14.691 30.335 -18.862 215 H3 MET 31 HT3 MET 31 -14.653 28.856 -19.685 216 HA MET 31 HA MET 31 -12.347 29.147 -20.219 217 HB2 MET 31 HB2 MET 31 -11.070 30.999 -19.304 218 HB3 MET 31 HB1 MET 31 -12.384 31.615 -20.295 219 HG2 MET 31 HG2 MET 31 -13.686 32.054 -18.259 220 HG3 MET 31 HG1 MET 31 -12.329 31.488 -17.288 221 HE1 MET 31 HE1 MET 31 -13.718 34.290 -19.630 222 HE2 MET 31 HE2 MET 31 -12.360 33.677 -20.572 223 HE3 MET 31 HE3 MET 31 -12.293 35.299 -19.887 224 H ARG 32 H ARG 32 -14.422 28.954 -17.596 225 HA ARG 32 HA ARG 32 -12.274 27.962 -15.856 226 HB2 ARG 32 HB2 ARG 32 -14.974 29.118 -15.194 227 HB3 ARG 32 HB1 ARG 32 -14.032 28.207 -14.021 228 HG2 ARG 32 HG2 ARG 32 -12.176 29.828 -14.340 229 HG3 ARG 32 HG1 ARG 32 -13.247 30.778 -15.372 230 HD2 ARG 32 HD2 ARG 32 -14.780 31.119 -13.543 231 HD3 ARG 32 HD1 ARG 32 -13.837 30.046 -12.507 232 HE ARG 32 HE ARG 32 -12.315 32.255 -13.524 233 HH11 ARG 32 HH11 ARG 32 -14.535 31.259 -11.009 234 HH12 ARG 32 HH12 ARG 32 -13.975 32.444 -9.873 235 HH21 ARG 32 HH21 ARG 32 -11.583 33.819 -12.036 236 HH22 ARG 32 HH22 ARG 32 -12.308 33.908 -10.460 237 H GLY 33 H GLY 33 -12.067 25.847 -16.022 238 HA2 GLY 33 HA2 GLY 33 -14.533 24.214 -15.988 239 HA3 GLY 33 HA1 GLY 33 -13.053 23.714 -16.794 240 H SER 34 H SER 34 -11.328 22.936 -15.582 241 HA SER 34 HA SER 34 -12.022 22.109 -12.869 242 HB2 SER 34 HB2 SER 34 -11.094 20.472 -14.579 243 HB3 SER 34 HB1 SER 34 -9.565 21.340 -14.462 244 HG SER 34 HG SER 34 -10.786 19.619 -12.662 245 H ASN 35 H ASN 35 -11.818 24.106 -11.842 246 HA ASN 35 HA ASN 35 -9.431 25.692 -12.203 247 HB2 ASN 35 HB2 ASN 35 -11.718 26.119 -10.276 248 HB3 ASN 35 HB1 ASN 35 -10.483 27.294 -10.706 249 HD21 ASN 35 HD21 ASN 35 -13.433 25.796 -11.604 250 HD22 ASN 35 HD22 ASN 35 -13.732 26.731 -13.023 251 H ALA 36 H ALA 36 -10.957 23.908 -9.552 252 HA ALA 36 HA ALA 36 -8.945 24.577 -7.651 253 HB1 ALA 36 HB1 ALA 36 -10.998 22.371 -7.558 254 HB2 ALA 36 HB2 ALA 36 -11.245 24.027 -7.003 255 HB3 ALA 36 HB3 ALA 36 -10.069 22.991 -6.194 256 HA PRO 37 HA PRO 37 -6.197 21.354 -9.136 257 HB2 PRO 37 HB2 PRO 37 -3.938 22.367 -8.122 258 HB3 PRO 37 HB1 PRO 37 -4.723 23.103 -9.526 259 HG2 PRO 37 HG2 PRO 37 -4.719 23.981 -6.678 260 HG3 PRO 37 HG1 PRO 37 -4.677 24.958 -8.155 261 HD2 PRO 37 HD2 PRO 37 -6.942 24.431 -6.608 262 HD3 PRO 37 HD1 PRO 37 -6.946 25.032 -8.276 263 H GLN 38 H GLN 38 -5.195 19.602 -8.175 264 HA GLN 38 HA GLN 38 -5.601 19.339 -5.277 265 HB2 GLN 38 HB2 GLN 38 -5.279 17.214 -7.405 266 HB3 GLN 38 HB1 GLN 38 -5.535 16.904 -5.693 267 HG2 GLN 38 HG2 GLN 38 -7.716 17.970 -5.811 268 HG3 GLN 38 HG1 GLN 38 -7.456 18.333 -7.516 269 HE21 GLN 38 HE21 GLN 38 -9.235 17.168 -8.167 270 HE22 GLN 38 HE22 GLN 38 -9.280 15.438 -8.138 271 HA PRO 39 HA PRO 39 -1.159 19.865 -5.166 272 HB2 PRO 39 HB2 PRO 39 -0.936 19.476 -2.452 273 HB3 PRO 39 HB1 PRO 39 -1.355 21.015 -3.210 274 HG2 PRO 39 HG2 PRO 39 -3.130 18.978 -1.944 275 HG3 PRO 39 HG1 PRO 39 -3.232 20.746 -1.890 276 HD2 PRO 39 HD2 PRO 39 -4.821 19.246 -3.475 277 HD3 PRO 39 HD1 PRO 39 -4.284 20.873 -3.935 278 H SER 40 H SER 40 -2.438 17.372 -2.930 279 HA SER 40 HA SER 40 -0.187 15.687 -3.183 280 HB2 SER 40 HB2 SER 40 -2.955 14.705 -2.497 281 HB3 SER 40 HB1 SER 40 -1.404 14.130 -1.888 282 HG SER 40 HG SER 40 -1.361 15.690 -0.450 283 H HIS 41 H HIS 41 -3.496 15.179 -4.332 284 HA HIS 41 HA HIS 41 -4.373 13.928 -6.010 285 HB2 HIS 41 HB2 HIS 41 -3.614 16.017 -7.150 286 HB3 HIS 41 HB1 HIS 41 -2.134 15.182 -7.601 287 HD1 HIS 41 HD1 HIS 41 -2.214 13.712 -9.648 288 HD2 HIS 41 HD2 HIS 41 -5.977 14.957 -8.407 289 HE1 HIS 41 HE1 HIS 41 -3.794 12.994 -11.464 290 HE2 HIS 41 HE2 HIS 41 -6.082 13.595 -10.599 291 H ILE 42 H ILE 42 -3.638 11.937 -4.945 292 HA ILE 42 HA ILE 42 -1.324 10.591 -5.905 293 HB ILE 42 HB ILE 42 -3.810 9.450 -4.608 294 HG12 ILE 42 HG12 ILE 42 -2.124 9.087 -2.696 295 HG13 ILE 42 HG11 ILE 42 -1.086 10.220 -3.552 296 HG21 ILE 42 HG21 ILE 42 -1.179 8.119 -5.239 297 HG22 ILE 42 HG22 ILE 42 -2.738 7.768 -5.985 298 HG23 ILE 42 HG23 ILE 42 -2.477 7.410 -4.278 299 HD11 ILE 42 HD11 ILE 42 -2.328 11.298 -1.761 300 HD12 ILE 42 HD12 ILE 42 -3.849 10.811 -2.513 301 HD13 ILE 42 HD13 ILE 42 -2.781 11.948 -3.336 302 H SER 43 H SER 43 -1.028 9.825 -7.855 303 HA SER 43 HA SER 43 -3.200 9.856 -9.745 304 HB2 SER 43 HB2 SER 43 -0.897 10.713 -10.238 305 HB3 SER 43 HB1 SER 43 -0.314 9.051 -10.174 306 HG SER 43 HG SER 43 -0.988 10.078 -12.304 307 H LYS 44 H LYS 44 -1.295 7.466 -8.037 308 HA LYS 44 HA LYS 44 -3.156 5.398 -8.718 309 HB2 LYS 44 HB2 LYS 44 -1.516 3.890 -9.775 310 HB3 LYS 44 HB1 LYS 44 -1.799 5.332 -10.739 311 HG2 LYS 44 HG2 LYS 44 0.279 6.307 -9.868 312 HG3 LYS 44 HG1 LYS 44 0.566 4.830 -8.944 313 HD2 LYS 44 HD2 LYS 44 0.684 3.540 -10.996 314 HD3 LYS 44 HD1 LYS 44 0.314 4.982 -11.946 315 HE2 LYS 44 HE2 LYS 44 2.377 6.033 -11.113 316 HE3 LYS 44 HE1 LYS 44 2.751 4.560 -10.219 317 HZ1 LYS 44 HZ1 LYS 44 3.938 4.656 -12.317 318 HZ2 LYS 44 HZ2 LYS 44 2.480 4.764 -13.168 319 HZ3 LYS 44 HZ3 LYS 44 2.854 3.358 -12.304 320 H TYR 45 H TYR 45 -2.956 3.576 -7.429 321 HA TYR 45 HA TYR 45 -0.967 3.753 -5.252 322 HB2 TYR 45 HB2 TYR 45 -3.527 2.138 -5.227 323 HB3 TYR 45 HB1 TYR 45 -2.480 2.511 -3.868 324 HD1 TYR 45 HD1 TYR 45 -5.257 3.593 -5.885 325 HD2 TYR 45 HD2 TYR 45 -2.430 4.852 -2.969 326 HE1 TYR 45 HE1 TYR 45 -6.671 5.529 -5.360 327 HE2 TYR 45 HE2 TYR 45 -3.840 6.795 -2.432 328 HH TYR 45 HH TYR 45 -5.603 8.172 -3.658 329 H ILE 46 H ILE 46 0.589 2.227 -5.287 330 HA ILE 46 HA ILE 46 0.190 -0.101 -7.025 331 HB ILE 46 HB ILE 46 2.725 1.012 -5.808 332 HG12 ILE 46 HG12 ILE 46 3.328 1.188 -8.299 333 HG13 ILE 46 HG11 ILE 46 1.614 0.952 -8.610 334 HG21 ILE 46 HG21 ILE 46 2.835 -1.415 -5.863 335 HG22 ILE 46 HG22 ILE 46 3.920 -0.716 -7.065 336 HG23 ILE 46 HG23 ILE 46 2.379 -1.411 -7.566 337 HD11 ILE 46 HD11 ILE 46 1.115 2.962 -7.306 338 HD12 ILE 46 HD12 ILE 46 2.183 3.296 -8.669 339 HD13 ILE 46 HD13 ILE 46 2.842 3.200 -7.035 340 H LEU 47 H LEU 47 -0.427 -1.919 -6.141 341 HA LEU 47 HA LEU 47 0.018 -2.368 -3.270 342 HB2 LEU 47 HB2 LEU 47 -2.299 -2.495 -4.523 343 HB3 LEU 47 HB1 LEU 47 -1.729 -4.070 -5.026 344 HG LEU 47 HG LEU 47 -3.190 -4.316 -3.135 345 HD11 LEU 47 HD11 LEU 47 -1.428 -5.908 -3.167 346 HD12 LEU 47 HD12 LEU 47 -1.688 -5.417 -1.496 347 HD13 LEU 47 HD13 LEU 47 -0.314 -4.780 -2.400 348 HD21 LEU 47 HD21 LEU 47 -1.344 -2.445 -1.668 349 HD22 LEU 47 HD22 LEU 47 -2.691 -3.333 -0.954 350 HD23 LEU 47 HD23 LEU 47 -2.997 -2.104 -2.180 351 H ARG 48 H ARG 48 1.797 -3.538 -2.858 352 HA ARG 48 HA ARG 48 2.444 -5.764 -4.689 353 HB2 ARG 48 HB2 ARG 48 4.308 -4.225 -2.874 354 HB3 ARG 48 HB1 ARG 48 4.764 -5.611 -3.841 355 HG2 ARG 48 HG2 ARG 48 4.360 -4.377 -5.855 356 HG3 ARG 48 HG1 ARG 48 3.743 -3.009 -4.928 357 HD2 ARG 48 HD2 ARG 48 5.910 -2.734 -3.860 358 HD3 ARG 48 HD1 ARG 48 6.537 -4.127 -4.742 359 HE ARG 48 HE ARG 48 5.908 -2.705 -6.782 360 HH11 ARG 48 HH11 ARG 48 7.153 -1.465 -3.753 361 HH12 ARG 48 HH12 ARG 48 7.889 -0.071 -4.479 362 HH21 ARG 48 HH21 ARG 48 6.889 -0.868 -7.740 363 HH22 ARG 48 HH22 ARG 48 7.743 0.264 -6.741 364 H TRP 49 H TRP 49 2.397 -7.778 -3.860 365 HA TRP 49 HA TRP 49 2.598 -8.054 -0.954 366 HB2 TRP 49 HB2 TRP 49 0.782 -9.666 -0.873 367 HB3 TRP 49 HB1 TRP 49 0.208 -8.134 -1.511 368 HD1 TRP 49 HD1 TRP 49 0.441 -11.787 -2.320 369 HE1 TRP 49 HE1 TRP 49 -0.690 -12.244 -4.585 370 HE3 TRP 49 HE3 TRP 49 -0.103 -6.974 -3.937 371 HZ2 TRP 49 HZ2 TRP 49 -1.679 -10.754 -6.775 372 HZ3 TRP 49 HZ3 TRP 49 -1.153 -6.573 -6.124 373 HH2 TRP 49 HH2 TRP 49 -1.922 -8.424 -7.513 374 H ARG 50 H ARG 50 3.439 -9.974 -0.199 375 HA ARG 50 HA ARG 50 4.472 -11.917 -2.116 376 HB2 ARG 50 HB2 ARG 50 6.220 -10.181 -1.984 377 HB3 ARG 50 HB1 ARG 50 6.246 -10.337 -0.234 378 HG2 ARG 50 HG2 ARG 50 6.926 -12.735 -0.566 379 HG3 ARG 50 HG1 ARG 50 7.133 -12.355 -2.277 380 HD2 ARG 50 HD2 ARG 50 9.263 -12.192 -1.159 381 HD3 ARG 50 HD1 ARG 50 8.737 -10.582 -1.651 382 HE ARG 50 HE ARG 50 7.842 -10.716 0.878 383 HH11 ARG 50 HH11 ARG 50 10.966 -11.399 -0.538 384 HH12 ARG 50 HH12 ARG 50 11.848 -10.996 0.900 385 HH21 ARG 50 HH21 ARG 50 8.997 -10.139 2.768 386 HH22 ARG 50 HH22 ARG 50 10.733 -10.276 2.770 387 HA PRO 51 HA PRO 51 3.512 -14.707 1.289 388 HB2 PRO 51 HB2 PRO 51 5.474 -16.577 0.580 389 HB3 PRO 51 HB1 PRO 51 3.795 -16.580 0.034 390 HG2 PRO 51 HG2 PRO 51 6.237 -15.590 -1.352 391 HG3 PRO 51 HG1 PRO 51 4.796 -16.370 -2.029 392 HD2 PRO 51 HD2 PRO 51 5.211 -13.729 -2.261 393 HD3 PRO 51 HD1 PRO 51 3.581 -14.397 -2.033 394 H LYS 52 H LYS 52 4.203 -14.266 3.263 395 HA LYS 52 HA LYS 52 6.529 -12.796 3.763 396 HB2 LYS 52 HB2 LYS 52 4.616 -12.523 5.147 397 HB3 LYS 52 HB1 LYS 52 4.589 -14.221 5.568 398 HG2 LYS 52 HG2 LYS 52 5.343 -12.926 7.424 399 HG3 LYS 52 HG1 LYS 52 6.663 -13.929 6.828 400 HD2 LYS 52 HD2 LYS 52 7.685 -12.054 5.756 401 HD3 LYS 52 HD1 LYS 52 6.287 -11.035 6.107 402 HE2 LYS 52 HE2 LYS 52 6.722 -11.346 8.518 403 HE3 LYS 52 HE1 LYS 52 8.177 -12.251 8.109 404 HZ1 LYS 52 HZ1 LYS 52 9.125 -10.328 7.115 405 HZ2 LYS 52 HZ2 LYS 52 8.557 -9.871 8.640 406 HZ3 LYS 52 HZ3 LYS 52 7.682 -9.454 7.253 407 H ASN 53 H ASN 53 6.001 -16.251 3.820 408 HA ASN 53 HA ASN 53 8.396 -16.754 5.370 409 HB2 ASN 53 HB2 ASN 53 7.743 -18.963 5.460 410 HB3 ASN 53 HB1 ASN 53 6.184 -18.196 5.206 411 HD21 ASN 53 HD21 ASN 53 5.168 -18.408 3.180 412 HD22 ASN 53 HD22 ASN 53 5.665 -19.607 2.037 413 H SER 54 H SER 54 7.870 -15.849 2.244 414 HA SER 54 HA SER 54 10.166 -17.398 1.247 415 HB2 SER 54 HB2 SER 54 7.774 -16.483 -0.356 416 HB3 SER 54 HB1 SER 54 9.115 -17.468 -0.940 417 HG SER 54 HG SER 54 8.188 -18.700 1.179 418 H VAL 55 H VAL 55 11.732 -16.313 0.152 419 HA VAL 55 HA VAL 55 11.579 -13.416 0.088 420 HB VAL 55 HB VAL 55 13.571 -14.631 0.997 421 HG11 VAL 55 HG11 VAL 55 13.990 -15.392 -1.884 422 HG12 VAL 55 HG12 VAL 55 13.687 -16.480 -0.532 423 HG13 VAL 55 HG13 VAL 55 15.192 -15.565 -0.607 424 HG21 VAL 55 HG21 VAL 55 15.230 -13.181 -0.014 425 HG22 VAL 55 HG22 VAL 55 13.719 -12.311 0.254 426 HG23 VAL 55 HG23 VAL 55 14.144 -12.859 -1.364 427 H GLY 56 H GLY 56 9.918 -14.943 -1.680 428 HA2 GLY 56 HA2 GLY 56 11.085 -15.086 -4.287 429 HA3 GLY 56 HA1 GLY 56 9.388 -15.297 -3.893 430 H ARG 57 H ARG 57 9.256 -14.110 -5.985 431 HA ARG 57 HA ARG 57 9.994 -11.342 -6.047 432 HB2 ARG 57 HB2 ARG 57 8.244 -12.973 -7.891 433 HB3 ARG 57 HB1 ARG 57 8.779 -11.329 -8.206 434 HG2 ARG 57 HG2 ARG 57 11.082 -12.049 -8.276 435 HG3 ARG 57 HG1 ARG 57 10.606 -13.691 -7.842 436 HD2 ARG 57 HD2 ARG 57 9.854 -12.207 -10.351 437 HD3 ARG 57 HD1 ARG 57 11.008 -13.533 -10.225 438 HE ARG 57 HE ARG 57 8.147 -13.868 -9.595 439 HH11 ARG 57 HH11 ARG 57 11.066 -14.956 -11.200 440 HH12 ARG 57 HH12 ARG 57 10.324 -16.388 -11.840 441 HH21 ARG 57 HH21 ARG 57 7.186 -15.747 -10.401 442 HH22 ARG 57 HH22 ARG 57 8.113 -16.846 -11.371 443 H TRP 58 H TRP 58 8.704 -9.564 -5.852 444 HA TRP 58 HA TRP 58 6.260 -9.854 -4.364 445 HB2 TRP 58 HB2 TRP 58 7.718 -7.442 -5.457 446 HB3 TRP 58 HB1 TRP 58 6.200 -7.328 -4.573 447 HD1 TRP 58 HD1 TRP 58 9.874 -8.374 -4.037 448 HE1 TRP 58 HE1 TRP 58 10.412 -8.148 -1.531 449 HE3 TRP 58 HE3 TRP 58 5.206 -7.218 -2.303 450 HZ2 TRP 58 HZ2 TRP 58 9.041 -7.557 0.864 451 HZ3 TRP 58 HZ3 TRP 58 4.904 -6.836 0.109 452 HH2 TRP 58 HH2 TRP 58 6.783 -7.004 1.659 453 H LYS 59 H LYS 59 4.240 -9.760 -5.112 454 HA LYS 59 HA LYS 59 3.840 -9.531 -7.987 455 HB2 LYS 59 HB2 LYS 59 1.860 -10.178 -5.791 456 HB3 LYS 59 HB1 LYS 59 1.582 -10.326 -7.522 457 HG2 LYS 59 HG2 LYS 59 3.215 -12.081 -7.692 458 HG3 LYS 59 HG1 LYS 59 3.674 -11.870 -6.004 459 HD2 LYS 59 HD2 LYS 59 2.226 -13.805 -6.252 460 HD3 LYS 59 HD1 LYS 59 1.414 -12.547 -5.319 461 HE2 LYS 59 HE2 LYS 59 -0.092 -13.576 -6.940 462 HE3 LYS 59 HE1 LYS 59 0.166 -11.869 -7.289 463 HZ1 LYS 59 HZ1 LYS 59 1.518 -14.129 -8.661 464 HZ2 LYS 59 HZ2 LYS 59 1.738 -12.490 -9.008 465 HZ3 LYS 59 HZ3 LYS 59 0.240 -13.219 -9.292 466 H GLU 60 H GLU 60 2.935 -7.783 -8.950 467 HA GLU 60 HA GLU 60 2.343 -5.529 -7.143 468 HB2 GLU 60 HB2 GLU 60 3.416 -5.309 -9.952 469 HB3 GLU 60 HB1 GLU 60 3.302 -4.037 -8.747 470 HG2 GLU 60 HG2 GLU 60 4.957 -5.295 -7.373 471 HG3 GLU 60 HG1 GLU 60 5.145 -6.409 -8.723 472 H ALA 61 H ALA 61 0.463 -4.535 -7.320 473 HA ALA 61 HA ALA 61 -1.034 -4.755 -9.851 474 HB1 ALA 61 HB1 ALA 61 -2.203 -4.682 -7.068 475 HB2 ALA 61 HB2 ALA 61 -2.121 -6.101 -8.111 476 HB3 ALA 61 HB3 ALA 61 -3.117 -4.722 -8.576 477 H THR 62 H THR 62 -2.145 -2.867 -10.494 478 HA THR 62 HA THR 62 -1.314 -0.443 -9.037 479 HB THR 62 HB THR 62 -1.718 -0.691 -12.023 480 HG1 THR 62 HG1 THR 62 0.401 -1.295 -10.411 481 HG21 THR 62 HG21 THR 62 -0.645 1.508 -12.107 482 HG22 THR 62 HG22 THR 62 -0.539 1.532 -10.347 483 HG23 THR 62 HG23 THR 62 -2.117 1.565 -11.136 484 H ILE 63 H ILE 63 -2.917 0.687 -8.227 485 HA ILE 63 HA ILE 63 -5.627 0.327 -9.330 486 HB ILE 63 HB ILE 63 -4.786 1.190 -6.551 487 HG12 ILE 63 HG12 ILE 63 -6.109 -0.991 -5.998 488 HG13 ILE 63 HG11 ILE 63 -5.772 -1.415 -7.670 489 HG21 ILE 63 HG21 ILE 63 -7.548 0.694 -7.643 490 HG22 ILE 63 HG22 ILE 63 -6.859 2.270 -7.252 491 HG23 ILE 63 HG23 ILE 63 -7.150 1.091 -5.972 492 HD11 ILE 63 HD11 ILE 63 -3.725 -0.813 -5.549 493 HD12 ILE 63 HD12 ILE 63 -3.376 -1.221 -7.229 494 HD13 ILE 63 HD13 ILE 63 -4.149 -2.407 -6.176 495 HA PRO 64 HA PRO 64 -5.531 4.586 -10.772 496 HB2 PRO 64 HB2 PRO 64 -8.432 4.322 -10.107 497 HB3 PRO 64 HB1 PRO 64 -7.667 4.938 -11.578 498 HG2 PRO 64 HG2 PRO 64 -8.754 2.509 -11.530 499 HG3 PRO 64 HG1 PRO 64 -7.244 2.812 -12.406 500 HD2 PRO 64 HD2 PRO 64 -7.683 1.435 -9.804 501 HD3 PRO 64 HD1 PRO 64 -6.469 1.122 -11.059 502 H GLY 65 H GLY 65 -5.445 6.553 -9.774 503 HA2 GLY 65 HA2 GLY 65 -5.315 6.492 -6.919 504 HA3 GLY 65 HA1 GLY 65 -4.962 7.866 -7.951 505 H HIS 66 H HIS 66 -7.949 6.004 -7.534 506 HA HIS 66 HA HIS 66 -9.145 8.064 -5.932 507 HB2 HIS 66 HB2 HIS 66 -11.053 8.490 -7.464 508 HB3 HIS 66 HB1 HIS 66 -9.524 9.095 -8.082 509 HD1 HIS 66 HD1 HIS 66 -8.979 8.471 -10.414 510 HD2 HIS 66 HD2 HIS 66 -11.829 5.945 -8.753 511 HE1 HIS 66 HE1 HIS 66 -9.750 6.991 -12.293 512 HE2 HIS 66 HE2 HIS 66 -11.360 5.374 -11.228 513 H LEU 67 H LEU 67 -8.533 5.094 -6.158 514 HA LEU 67 HA LEU 67 -11.207 4.173 -5.331 515 HB2 LEU 67 HB2 LEU 67 -8.925 2.495 -6.391 516 HB3 LEU 67 HB1 LEU 67 -10.492 1.894 -5.889 517 HG LEU 67 HG LEU 67 -9.922 3.647 -8.279 518 HD11 LEU 67 HD11 LEU 67 -10.670 1.730 -9.564 519 HD12 LEU 67 HD12 LEU 67 -10.905 0.809 -8.078 520 HD13 LEU 67 HD13 LEU 67 -9.285 1.311 -8.557 521 HD21 LEU 67 HD21 LEU 67 -12.544 2.583 -7.236 522 HD22 LEU 67 HD22 LEU 67 -12.310 3.373 -8.796 523 HD23 LEU 67 HD23 LEU 67 -12.050 4.274 -7.304 524 H ASN 68 H ASN 68 -11.258 2.791 -3.457 525 HA ASN 68 HA ASN 68 -8.893 3.169 -1.733 526 HB2 ASN 68 HB2 ASN 68 -11.804 3.270 -0.920 527 HB3 ASN 68 HB1 ASN 68 -10.439 3.361 0.186 528 HD21 ASN 68 HD21 ASN 68 -12.565 5.263 -0.269 529 HD22 ASN 68 HD22 ASN 68 -11.806 6.739 -0.751 530 H SER 69 H SER 69 -10.088 0.859 -3.415 531 HA SER 69 HA SER 69 -9.513 -1.181 -1.466 532 HB2 SER 69 HB2 SER 69 -11.718 -2.372 -1.964 533 HB3 SER 69 HB1 SER 69 -11.809 -0.961 -0.909 534 HG SER 69 HG SER 69 -12.415 -1.061 -3.687 535 H TYR 70 H TYR 70 -8.825 -3.065 -2.375 536 HA TYR 70 HA TYR 70 -9.250 -3.475 -5.246 537 HB2 TYR 70 HB2 TYR 70 -7.034 -2.438 -5.030 538 HB3 TYR 70 HB1 TYR 70 -6.559 -3.666 -3.862 539 HD1 TYR 70 HD1 TYR 70 -7.652 -3.247 -7.401 540 HD2 TYR 70 HD2 TYR 70 -5.545 -5.642 -4.587 541 HE1 TYR 70 HE1 TYR 70 -6.839 -4.670 -9.233 542 HE2 TYR 70 HE2 TYR 70 -4.720 -7.070 -6.412 543 HH TYR 70 HH TYR 70 -5.348 -7.687 -8.688 544 H THR 71 H THR 71 -9.441 -5.614 -5.842 545 HA THR 71 HA THR 71 -9.686 -7.506 -3.626 546 HB THR 71 HB THR 71 -10.509 -7.886 -6.513 547 HG1 THR 71 HG1 THR 71 -11.543 -6.102 -5.223 548 HG21 THR 71 HG21 THR 71 -11.332 -9.322 -3.984 549 HG22 THR 71 HG22 THR 71 -10.264 -9.964 -5.231 550 HG23 THR 71 HG23 THR 71 -11.958 -9.640 -5.603 551 H ILE 72 H ILE 72 -7.682 -8.283 -3.174 552 HA ILE 72 HA ILE 72 -5.806 -8.973 -5.260 553 HB ILE 72 HB ILE 72 -5.671 -9.547 -2.294 554 HG12 ILE 72 HG12 ILE 72 -4.353 -7.362 -3.919 555 HG13 ILE 72 HG11 ILE 72 -5.694 -7.135 -2.801 556 HG21 ILE 72 HG21 ILE 72 -3.536 -9.708 -4.414 557 HG22 ILE 72 HG22 ILE 72 -4.294 -11.073 -3.595 558 HG23 ILE 72 HG23 ILE 72 -3.289 -9.945 -2.685 559 HD11 ILE 72 HD11 ILE 72 -4.237 -7.933 -0.970 560 HD12 ILE 72 HD12 ILE 72 -3.654 -6.459 -1.743 561 HD13 ILE 72 HD13 ILE 72 -2.900 -8.011 -2.117 562 H LYS 73 H LYS 73 -5.832 -10.826 -6.327 563 HA LYS 73 HA LYS 73 -7.189 -13.127 -5.098 564 HB2 LYS 73 HB2 LYS 73 -6.674 -12.559 -8.025 565 HB3 LYS 73 HB1 LYS 73 -7.554 -13.939 -7.380 566 HG2 LYS 73 HG2 LYS 73 -9.313 -12.530 -6.577 567 HG3 LYS 73 HG1 LYS 73 -8.397 -11.077 -6.985 568 HD2 LYS 73 HD2 LYS 73 -8.484 -11.756 -9.368 569 HD3 LYS 73 HD1 LYS 73 -9.511 -13.116 -8.908 570 HE2 LYS 73 HE2 LYS 73 -11.210 -11.609 -8.090 571 HE3 LYS 73 HE1 LYS 73 -10.166 -10.219 -8.384 572 HZ1 LYS 73 HZ1 LYS 73 -11.770 -10.430 -10.143 573 HZ2 LYS 73 HZ2 LYS 73 -11.307 -12.027 -10.443 574 HZ3 LYS 73 HZ3 LYS 73 -10.232 -10.763 -10.763 575 H GLY 74 H GLY 74 -6.081 -14.958 -4.752 576 HA2 GLY 74 HA2 GLY 74 -4.333 -16.507 -5.487 577 HA3 GLY 74 HA1 GLY 74 -3.334 -15.102 -5.826 578 H LEU 75 H LEU 75 -5.232 -15.006 -2.951 579 HA LEU 75 HA LEU 75 -2.803 -15.473 -1.361 580 HB2 LEU 75 HB2 LEU 75 -5.351 -14.041 -0.608 581 HB3 LEU 75 HB1 LEU 75 -3.978 -14.275 0.454 582 HG LEU 75 HG LEU 75 -4.092 -12.573 -2.030 583 HD11 LEU 75 HD11 LEU 75 -3.610 -10.766 -0.482 584 HD12 LEU 75 HD12 LEU 75 -3.576 -11.908 0.862 585 HD13 LEU 75 HD13 LEU 75 -5.080 -11.618 -0.010 586 HD21 LEU 75 HD21 LEU 75 -1.946 -13.699 -1.977 587 HD22 LEU 75 HD22 LEU 75 -1.725 -13.247 -0.287 588 HD23 LEU 75 HD23 LEU 75 -1.749 -12.003 -1.537 589 H LYS 76 H LYS 76 -2.759 -16.994 0.263 590 HA LYS 76 HA LYS 76 -5.096 -18.761 0.430 591 HB2 LYS 76 HB2 LYS 76 -2.262 -19.183 1.397 592 HB3 LYS 76 HB1 LYS 76 -3.560 -20.361 1.510 593 HG2 LYS 76 HG2 LYS 76 -3.691 -20.439 -0.937 594 HG3 LYS 76 HG1 LYS 76 -2.361 -19.285 -1.031 595 HD2 LYS 76 HD2 LYS 76 -0.912 -20.864 0.159 596 HD3 LYS 76 HD1 LYS 76 -2.243 -22.018 0.240 597 HE2 LYS 76 HE2 LYS 76 -0.805 -22.654 -1.562 598 HE3 LYS 76 HE1 LYS 76 -2.304 -22.031 -2.245 599 HZ1 LYS 76 HZ1 LYS 76 0.205 -20.467 -1.972 600 HZ2 LYS 76 HZ2 LYS 76 -1.217 -19.960 -2.732 601 HZ3 LYS 76 HZ3 LYS 76 -0.309 -21.221 -3.394 602 HA PRO 77 HA PRO 77 -6.002 -16.843 4.408 603 HB2 PRO 77 HB2 PRO 77 -7.876 -19.119 4.616 604 HB3 PRO 77 HB1 PRO 77 -8.199 -17.385 4.715 605 HG2 PRO 77 HG2 PRO 77 -8.930 -18.812 2.574 606 HG3 PRO 77 HG1 PRO 77 -8.347 -17.145 2.421 607 HD2 PRO 77 HD2 PRO 77 -6.905 -19.713 1.888 608 HD3 PRO 77 HD1 PRO 77 -6.873 -18.190 0.976 609 H GLY 78 H GLY 78 -4.650 -17.189 6.035 610 HA2 GLY 78 HA2 GLY 78 -4.171 -18.605 7.991 611 HA3 GLY 78 HA1 GLY 78 -4.147 -19.975 6.883 612 H VAL 79 H VAL 79 -2.815 -18.271 4.845 613 HA VAL 79 HA VAL 79 -0.088 -18.638 5.803 614 HB VAL 79 HB VAL 79 -1.098 -17.925 3.038 615 HG11 VAL 79 HG11 VAL 79 1.639 -18.789 3.950 616 HG12 VAL 79 HG12 VAL 79 1.190 -17.173 3.400 617 HG13 VAL 79 HG13 VAL 79 1.140 -18.535 2.279 618 HG21 VAL 79 HG21 VAL 79 -1.823 -20.144 3.671 619 HG22 VAL 79 HG22 VAL 79 -0.183 -20.559 4.172 620 HG23 VAL 79 HG23 VAL 79 -0.532 -20.250 2.472 621 H VAL 80 H VAL 80 1.262 -16.986 6.242 622 HA VAL 80 HA VAL 80 0.111 -14.348 6.389 623 HB VAL 80 HB VAL 80 1.390 -15.024 8.284 624 HG11 VAL 80 HG11 VAL 80 3.867 -15.442 8.075 625 HG12 VAL 80 HG12 VAL 80 3.600 -15.597 6.338 626 HG13 VAL 80 HG13 VAL 80 2.810 -16.707 7.452 627 HG21 VAL 80 HG21 VAL 80 2.925 -12.981 6.692 628 HG22 VAL 80 HG22 VAL 80 3.085 -13.245 8.427 629 HG23 VAL 80 HG23 VAL 80 1.555 -12.674 7.759 630 H TYR 81 H TYR 81 0.425 -12.718 5.053 631 HA TYR 81 HA TYR 81 2.608 -12.885 3.078 632 HB2 TYR 81 HB2 TYR 81 -0.210 -11.863 2.649 633 HB3 TYR 81 HB1 TYR 81 1.101 -11.666 1.495 634 HD1 TYR 81 HD1 TYR 81 1.919 -13.569 0.209 635 HD2 TYR 81 HD2 TYR 81 -1.297 -14.001 2.953 636 HE1 TYR 81 HE1 TYR 81 1.330 -15.719 -0.827 637 HE2 TYR 81 HE2 TYR 81 -1.896 -16.151 1.929 638 HH TYR 81 HH TYR 81 0.130 -17.824 -0.154 639 H GLU 82 H GLU 82 3.566 -10.903 2.499 640 HA GLU 82 HA GLU 82 2.982 -8.660 4.306 641 HB2 GLU 82 HB2 GLU 82 5.317 -9.070 2.429 642 HB3 GLU 82 HB1 GLU 82 5.122 -7.723 3.538 643 HG2 GLU 82 HG2 GLU 82 5.137 -9.432 5.397 644 HG3 GLU 82 HG1 GLU 82 5.646 -10.603 4.179 645 H GLY 83 H GLY 83 2.229 -6.750 3.544 646 HA2 GLY 83 HA2 GLY 83 1.983 -6.466 0.619 647 HA3 GLY 83 HA1 GLY 83 0.610 -6.162 1.677 648 H GLN 84 H GLN 84 2.211 -4.425 -0.184 649 HA GLN 84 HA GLN 84 2.511 -2.234 1.735 650 HB2 GLN 84 HB2 GLN 84 4.497 -1.413 0.463 651 HB3 GLN 84 HB1 GLN 84 4.774 -2.914 1.335 652 HG2 GLN 84 HG2 GLN 84 4.508 -4.175 -0.725 653 HG3 GLN 84 HG1 GLN 84 4.186 -2.682 -1.604 654 HE21 GLN 84 HE21 GLN 84 6.594 -4.600 -0.002 655 HE22 GLN 84 HE22 GLN 84 7.971 -3.775 -0.641 656 H LEU 85 H LEU 85 1.556 -0.417 1.132 657 HA LEU 85 HA LEU 85 0.473 -0.266 -1.598 658 HB2 LEU 85 HB2 LEU 85 -1.081 -0.302 0.412 659 HB3 LEU 85 HB1 LEU 85 -0.427 1.259 0.850 660 HG LEU 85 HG LEU 85 -2.674 1.226 -0.354 661 HD11 LEU 85 HD11 LEU 85 -1.361 3.262 -0.084 662 HD12 LEU 85 HD12 LEU 85 -2.185 3.227 -1.643 663 HD13 LEU 85 HD13 LEU 85 -0.458 2.878 -1.549 664 HD21 LEU 85 HD21 LEU 85 -0.956 0.801 -2.787 665 HD22 LEU 85 HD22 LEU 85 -2.711 0.973 -2.716 666 HD23 LEU 85 HD23 LEU 85 -1.939 -0.460 -2.044 667 H ILE 86 H ILE 86 1.796 0.894 -2.841 668 HA ILE 86 HA ILE 86 3.189 3.209 -1.685 669 HB ILE 86 HB ILE 86 3.662 2.000 -4.416 670 HG12 ILE 86 HG12 ILE 86 5.840 1.191 -3.202 671 HG13 ILE 86 HG11 ILE 86 4.855 1.314 -1.752 672 HG21 ILE 86 HG21 ILE 86 5.748 3.236 -4.351 673 HG22 ILE 86 HG22 ILE 86 5.365 3.833 -2.735 674 HG23 ILE 86 HG23 ILE 86 4.380 4.325 -4.116 675 HD11 ILE 86 HD11 ILE 86 4.893 -0.951 -2.633 676 HD12 ILE 86 HD12 ILE 86 4.223 -0.373 -4.158 677 HD13 ILE 86 HD13 ILE 86 3.268 -0.272 -2.680 678 H SER 87 H SER 87 2.231 5.109 -1.947 679 HA SER 87 HA SER 87 0.365 5.469 -4.176 680 HB2 SER 87 HB2 SER 87 0.873 7.267 -1.799 681 HB3 SER 87 HB1 SER 87 -0.450 7.406 -2.954 682 HG SER 87 HG SER 87 -0.044 5.055 -1.446 683 H ILE 88 H ILE 88 0.897 6.612 -5.916 684 HA ILE 88 HA ILE 88 3.339 8.245 -5.851 685 HB ILE 88 HB ILE 88 1.730 7.299 -8.234 686 HG12 ILE 88 HG12 ILE 88 2.844 5.441 -7.094 687 HG13 ILE 88 HG11 ILE 88 3.609 5.764 -8.645 688 HG21 ILE 88 HG21 ILE 88 4.395 8.706 -8.101 689 HG22 ILE 88 HG22 ILE 88 2.881 9.384 -8.700 690 HG23 ILE 88 HG23 ILE 88 3.655 8.055 -9.564 691 HD11 ILE 88 HD11 ILE 88 5.404 6.970 -7.487 692 HD12 ILE 88 HD12 ILE 88 5.269 5.291 -6.963 693 HD13 ILE 88 HD13 ILE 88 4.644 6.586 -5.942 694 H GLN 89 H GLN 89 3.024 10.329 -5.433 695 HA GLN 89 HA GLN 89 0.432 11.549 -5.885 696 HB2 GLN 89 HB2 GLN 89 2.969 12.717 -4.730 697 HB3 GLN 89 HB1 GLN 89 1.397 13.499 -4.738 698 HG2 GLN 89 HG2 GLN 89 0.505 11.801 -3.272 699 HG3 GLN 89 HG1 GLN 89 2.032 10.918 -3.329 700 HE21 GLN 89 HE21 GLN 89 2.391 11.062 -1.138 701 HE22 GLN 89 HE22 GLN 89 2.806 12.547 -0.352 702 H GLN 90 H GLN 90 0.642 13.994 -6.592 703 HA GLN 90 HA GLN 90 1.391 14.048 -9.313 704 HB2 GLN 90 HB2 GLN 90 -0.367 15.473 -8.368 705 HB3 GLN 90 HB1 GLN 90 0.833 16.331 -7.413 706 HG2 GLN 90 HG2 GLN 90 1.876 17.163 -9.440 707 HG3 GLN 90 HG1 GLN 90 0.718 16.263 -10.418 708 HE21 GLN 90 HE21 GLN 90 -0.126 17.898 -7.447 709 HE22 GLN 90 HE22 GLN 90 -1.101 19.121 -8.178 710 H TYR 91 H TYR 91 2.943 15.249 -6.386 711 HA TYR 91 HA TYR 91 5.127 16.449 -7.835 712 HB2 TYR 91 HB2 TYR 91 4.729 16.005 -4.872 713 HB3 TYR 91 HB1 TYR 91 6.039 16.938 -5.585 714 HD1 TYR 91 HD1 TYR 91 5.185 18.838 -7.272 715 HD2 TYR 91 HD2 TYR 91 2.909 17.166 -4.092 716 HE1 TYR 91 HE1 TYR 91 3.779 20.853 -7.225 717 HE2 TYR 91 HE2 TYR 91 1.496 19.176 -4.041 718 HH TYR 91 HH TYR 91 1.438 21.446 -6.489 719 H GLY 92 H GLY 92 4.459 13.353 -7.486 720 HA2 GLY 92 HA2 GLY 92 5.807 11.519 -7.880 721 HA3 GLY 92 HA1 GLY 92 7.203 12.583 -7.823 722 H HIS 93 H HIS 93 5.374 13.051 -5.071 723 HA HIS 93 HA HIS 93 7.259 11.806 -3.359 724 HB2 HIS 93 HB2 HIS 93 4.476 12.848 -2.801 725 HB3 HIS 93 HB1 HIS 93 5.555 12.238 -1.555 726 HD1 HIS 93 HD1 HIS 93 4.550 15.113 -1.407 727 HD2 HIS 93 HD2 HIS 93 8.117 14.000 -3.235 728 HE1 HIS 93 HE1 HIS 93 5.981 17.181 -1.420 729 HE2 HIS 93 HE2 HIS 93 8.087 16.509 -2.631 730 H GLN 94 H GLN 94 7.446 9.717 -2.906 731 HA GLN 94 HA GLN 94 5.181 7.961 -3.516 732 HB2 GLN 94 HB2 GLN 94 8.045 7.209 -2.908 733 HB3 GLN 94 HB1 GLN 94 6.787 6.142 -3.514 734 HG2 GLN 94 HG2 GLN 94 6.696 7.443 -5.587 735 HG3 GLN 94 HG1 GLN 94 7.982 8.484 -4.980 736 HE21 GLN 94 HE21 GLN 94 7.940 6.829 -7.350 737 HE22 GLN 94 HE22 GLN 94 9.256 5.717 -7.196 738 H GLU 95 H GLU 95 3.953 7.323 -1.924 739 HA GLU 95 HA GLU 95 5.051 7.300 0.810 740 HB2 GLU 95 HB2 GLU 95 2.161 7.504 -0.056 741 HB3 GLU 95 HB1 GLU 95 2.769 7.624 1.588 742 HG2 GLU 95 HG2 GLU 95 3.398 9.553 -0.635 743 HG3 GLU 95 HG1 GLU 95 2.178 9.800 0.611 744 H VAL 96 H VAL 96 5.475 5.309 1.519 745 HA VAL 96 HA VAL 96 3.945 3.070 0.377 746 HB VAL 96 HB VAL 96 6.627 2.940 1.757 747 HG11 VAL 96 HG11 VAL 96 5.080 0.905 0.161 748 HG12 VAL 96 HG12 VAL 96 5.426 0.857 1.888 749 HG13 VAL 96 HG13 VAL 96 6.738 0.697 0.722 750 HG21 VAL 96 HG21 VAL 96 5.986 2.994 -1.193 751 HG22 VAL 96 HG22 VAL 96 7.565 2.602 -0.509 752 HG23 VAL 96 HG23 VAL 96 6.879 4.210 -0.278 753 H THR 97 H THR 97 2.302 2.615 1.695 754 HA THR 97 HA THR 97 2.810 2.479 4.584 755 HB THR 97 HB THR 97 0.144 2.262 3.170 756 HG1 THR 97 HG1 THR 97 -0.079 4.488 3.927 757 HG21 THR 97 HG21 THR 97 -0.766 2.802 5.387 758 HG22 THR 97 HG22 THR 97 0.869 2.824 6.050 759 HG23 THR 97 HG23 THR 97 0.190 1.319 5.428 760 H ARG 98 H ARG 98 3.263 0.546 5.416 761 HA ARG 98 HA ARG 98 2.809 -1.805 3.750 762 HB2 ARG 98 HB2 ARG 98 4.478 -1.451 6.238 763 HB3 ARG 98 HB1 ARG 98 4.360 -2.934 5.305 764 HG2 ARG 98 HG2 ARG 98 5.311 -1.778 3.363 765 HG3 ARG 98 HG1 ARG 98 5.466 -0.311 4.333 766 HD2 ARG 98 HD2 ARG 98 6.936 -1.511 5.887 767 HD3 ARG 98 HD1 ARG 98 6.795 -2.957 4.891 768 HE ARG 98 HE ARG 98 7.763 -0.618 3.497 769 HH11 ARG 98 HH11 ARG 98 8.627 -3.435 5.379 770 HH12 ARG 98 HH12 ARG 98 10.236 -3.534 4.736 771 HH21 ARG 98 HH21 ARG 98 9.881 -0.725 2.654 772 HH22 ARG 98 HH22 ARG 98 10.956 -1.976 3.196 773 H PHE 99 H PHE 99 1.918 -3.708 4.529 774 HA PHE 99 HA PHE 99 0.662 -3.776 7.130 775 HB2 PHE 99 HB2 PHE 99 -1.575 -4.329 6.233 776 HB3 PHE 99 HB1 PHE 99 -1.089 -2.691 5.818 777 HD1 PHE 99 HD1 PHE 99 -1.910 -5.997 4.554 778 HD2 PHE 99 HD2 PHE 99 -0.498 -2.119 3.509 779 HE1 PHE 99 HE1 PHE 99 -2.385 -6.465 2.185 780 HE2 PHE 99 HE2 PHE 99 -0.969 -2.581 1.139 781 HZ PHE 99 HZ PHE 99 -1.914 -4.756 0.477 782 H ASP 100 H ASP 100 -0.444 -5.986 7.393 783 HA ASP 100 HA ASP 100 0.972 -8.020 5.815 784 HB2 ASP 100 HB2 ASP 100 0.706 -7.969 8.834 785 HB3 ASP 100 HB1 ASP 100 1.299 -9.341 7.910 786 H PHE 101 H PHE 101 -0.104 -10.052 5.717 787 HA PHE 101 HA PHE 101 -2.883 -10.019 6.685 788 HB2 PHE 101 HB2 PHE 101 -3.014 -9.551 4.323 789 HB3 PHE 101 HB1 PHE 101 -1.904 -10.866 3.949 790 HD1 PHE 101 HD1 PHE 101 -5.184 -10.298 5.635 791 HD2 PHE 101 HD2 PHE 101 -2.799 -12.846 3.206 792 HE1 PHE 101 HE1 PHE 101 -7.096 -11.821 5.358 793 HE2 PHE 101 HE2 PHE 101 -4.705 -14.375 2.925 794 HZ PHE 101 HZ PHE 101 -6.859 -13.863 4.002 795 H THR 102 H THR 102 -3.645 -11.933 7.489 796 HA THR 102 HA THR 102 -1.811 -14.228 7.437 797 HB THR 102 HB THR 102 -3.340 -13.349 9.893 798 HG1 THR 102 HG1 THR 102 -0.532 -13.107 9.458 799 HG21 THR 102 HG21 THR 102 -2.841 -15.740 9.790 800 HG22 THR 102 HG22 THR 102 -1.878 -14.953 11.040 801 HG23 THR 102 HG23 THR 102 -1.139 -15.380 9.497 802 H THR 103 H THR 103 -5.059 -13.300 8.608 803 HA THR 103 HA THR 103 -6.269 -15.309 6.911 804 HB THR 103 HB THR 103 -6.673 -15.477 9.907 805 HG1 THR 103 HG1 THR 103 -4.750 -16.527 8.328 806 HG21 THR 103 HG21 THR 103 -7.641 -17.248 7.658 807 HG22 THR 103 HG22 THR 103 -8.636 -16.131 8.591 808 HG23 THR 103 HG23 THR 103 -7.906 -17.529 9.379 809 H THR 104 H THR 104 -7.175 -13.535 9.864 810 HA THR 104 HA THR 104 -8.796 -11.661 8.418 811 HB THR 104 HB THR 104 -10.218 -13.615 10.251 812 HG1 THR 104 HG1 THR 104 -9.664 -13.742 7.596 813 HG21 THR 104 HG21 THR 104 -11.159 -11.352 10.305 814 HG22 THR 104 HG22 THR 104 -12.255 -12.476 9.502 815 HG23 THR 104 HG23 THR 104 -11.283 -11.359 8.545 816 H SER 105 H SER 105 -7.427 -10.217 9.525 817 HA SER 105 HA SER 105 -7.450 -10.250 12.433 818 HB2 SER 105 HB2 SER 105 -5.967 -8.444 10.513 819 HB3 SER 105 HB1 SER 105 -5.721 -8.524 12.258 820 HG SER 105 HG SER 105 -4.765 -10.445 12.065 821 H THR 106 H THR 106 -9.938 -9.760 11.658 822 HA THR 106 HA THR 106 -10.298 -6.985 12.499 823 HB THR 106 HB THR 106 -11.937 -8.182 10.255 824 HG1 THR 106 HG1 THR 106 -10.332 -7.590 9.017 825 HG21 THR 106 HG21 THR 106 -11.764 -5.371 11.354 826 HG22 THR 106 HG22 THR 106 -13.096 -6.498 11.609 827 HG23 THR 106 HG23 THR 106 -12.756 -5.886 9.991 828 H SER 107 H SER 107 -10.784 -7.937 14.528 829 HA SER 107 HA SER 107 -12.883 -9.836 14.843 830 HB2 SER 107 HB2 SER 107 -11.679 -7.967 16.900 831 HB3 SER 107 HB1 SER 107 -12.614 -9.425 17.232 832 HG SER 107 HG SER 107 -10.097 -9.380 17.119 833 H THR 108 H THR 108 -14.589 -8.890 13.650 834 HA THR 108 HA THR 108 -15.681 -6.348 14.232 835 HB THR 108 HB THR 108 -17.702 -7.267 13.002 836 HG1 THR 108 HG1 THR 108 -17.263 -9.501 13.551 837 HG21 THR 108 HG21 THR 108 -15.019 -7.540 11.643 838 HG22 THR 108 HG22 THR 108 -15.916 -6.036 11.855 839 HG23 THR 108 HG23 THR 108 -16.570 -7.318 10.833 840 HA PRO 109 HA PRO 109 -17.676 -7.449 18.083 841 HB2 PRO 109 HB2 PRO 109 -19.200 -5.168 18.246 842 HB3 PRO 109 HB1 PRO 109 -17.517 -5.277 18.770 843 HG2 PRO 109 HG2 PRO 109 -18.647 -4.186 16.230 844 HG3 PRO 109 HG1 PRO 109 -17.308 -3.575 17.219 845 HD2 PRO 109 HD2 PRO 109 -16.902 -4.956 14.938 846 HD3 PRO 109 HD1 PRO 109 -15.797 -5.072 16.322 847 H GLY 110 H GLY 110 -19.452 -8.625 18.414 848 HA2 GLY 110 HA2 GLY 110 -21.349 -8.972 16.286 849 HA3 GLY 110 HA1 GLY 110 -21.350 -9.805 17.832 850 H SER 111 H SER 111 -21.932 -6.591 16.464 851 HA SER 111 HA SER 111 -24.462 -6.477 17.891 852 HB2 SER 111 HB2 SER 111 -22.299 -4.378 18.190 853 HB3 SER 111 HB1 SER 111 -23.966 -4.178 18.727 854 HG SER 111 HG SER 111 -22.815 -6.499 19.621 855 H ARG 112 H ARG 112 -25.775 -6.257 16.229 856 HA ARG 112 HA ARG 112 -25.033 -4.857 13.824 857 HB2 ARG 112 HB2 ARG 112 -27.596 -6.210 14.680 858 HB3 ARG 112 HB1 ARG 112 -27.330 -5.517 13.087 859 HG2 ARG 112 HG2 ARG 112 -25.720 -7.126 12.530 860 HG3 ARG 112 HG1 ARG 112 -25.518 -7.625 14.211 861 HD2 ARG 112 HD2 ARG 112 -28.041 -7.999 12.603 862 HD3 ARG 112 HD1 ARG 112 -26.809 -9.239 12.832 863 HE ARG 112 HE ARG 112 -27.550 -8.341 15.356 864 HH11 ARG 112 HH11 ARG 112 -29.045 -9.997 12.659 865 HH12 ARG 112 HH12 ARG 112 -30.163 -10.872 13.654 866 HH21 ARG 112 HH21 ARG 112 -29.006 -9.491 16.667 867 HH22 ARG 112 HH22 ARG 112 -30.131 -10.593 15.939 868 H SER 113 H SER 113 -24.736 -2.912 15.377 869 HA SER 113 HA SER 113 -26.965 -1.127 14.940 870 HB2 SER 113 HB2 SER 113 -27.511 -2.199 17.119 871 HB3 SER 113 HB1 SER 113 -25.966 -1.645 17.757 872 HG SER 113 HG SER 113 -26.701 0.346 17.890 873 H HIS 114 H HIS 114 -24.732 -0.883 13.629 874 HA HIS 114 HA HIS 114 -22.814 0.725 15.103 875 HB2 HIS 114 HB2 HIS 114 -22.847 -0.455 12.341 876 HB3 HIS 114 HB1 HIS 114 -21.669 0.776 12.784 877 HD1 HIS 114 HD1 HIS 114 -22.175 -2.805 12.830 878 HD2 HIS 114 HD2 HIS 114 -20.085 -0.050 15.138 879 HE1 HIS 114 HE1 HIS 114 -20.471 -4.143 14.103 880 HE2 HIS 114 HE2 HIS 114 -19.075 -2.419 15.300 881 H HIS 115 H HIS 115 -24.510 2.358 15.480 882 HA HIS 115 HA HIS 115 -24.478 4.291 13.266 883 HB2 HIS 115 HB2 HIS 115 -26.517 5.315 14.217 884 HB3 HIS 115 HB1 HIS 115 -26.778 3.650 13.726 885 HD1 HIS 115 HD1 HIS 115 -27.235 5.927 16.515 886 HD2 HIS 115 HD2 HIS 115 -26.846 1.818 16.035 887 HE1 HIS 115 HE1 HIS 115 -28.132 4.912 18.629 888 HE2 HIS 115 HE2 HIS 115 -27.991 2.426 18.273 889 H HIS 116 H HIS 116 -22.563 5.220 13.768 890 HA HIS 116 HA HIS 116 -20.994 6.455 14.841 891 HB2 HIS 116 HB2 HIS 116 -23.466 7.522 16.202 892 HB3 HIS 116 HB1 HIS 116 -21.857 8.151 16.542 893 HD1 HIS 116 HD1 HIS 116 -24.679 8.844 14.516 894 HD2 HIS 116 HD2 HIS 116 -20.567 8.982 13.922 895 HE1 HIS 116 HE1 HIS 116 -24.329 10.355 12.537 896 HE2 HIS 116 HE2 HIS 116 -21.835 10.440 12.205 897 H HIS 117 H HIS 117 -21.290 3.859 15.714 898 HA HIS 117 HA HIS 117 -20.755 4.107 18.597 899 HB2 HIS 117 HB2 HIS 117 -22.867 2.854 18.041 900 HB3 HIS 117 HB1 HIS 117 -21.870 1.655 17.224 901 HD1 HIS 117 HD1 HIS 117 -20.518 0.031 18.694 902 HD2 HIS 117 HD2 HIS 117 -22.715 2.824 20.850 903 HE1 HIS 117 HE1 HIS 117 -20.453 -0.755 21.081 904 HE2 HIS 117 HE2 HIS 117 -21.671 1.026 22.384 905 H HIS 118 H HIS 118 -18.568 4.545 17.850 906 HA HIS 118 HA HIS 118 -17.122 2.114 17.048 907 HB2 HIS 118 HB2 HIS 118 -16.792 4.026 15.548 908 HB3 HIS 118 HB1 HIS 118 -16.275 5.019 16.905 909 HD1 HIS 118 HD1 HIS 118 -13.840 5.097 17.325 910 HD2 HIS 118 HD2 HIS 118 -14.926 1.785 15.057 911 HE1 HIS 118 HE1 HIS 118 -11.678 4.003 16.645 912 HE2 HIS 118 HE2 HIS 118 -12.358 2.099 15.138 913 H HIS 119 H HIS 119 -16.819 1.104 18.986 914 HA HIS 119 HA HIS 119 -15.085 2.503 20.892 915 HB2 HIS 119 HB2 HIS 119 -17.343 2.568 21.844 916 HB3 HIS 119 HB1 HIS 119 -17.491 0.826 21.649 917 HD1 HIS 119 HD1 HIS 119 -16.236 -0.671 23.350 918 HD2 HIS 119 HD2 HIS 119 -15.774 3.409 24.007 919 HE1 HIS 119 HE1 HIS 119 -15.232 -0.463 25.644 920 HE2 HIS 119 HE2 HIS 119 -15.128 2.013 26.082 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 -7.198 21.374 19.233 2 H2 GLY 1 HT2 GLY 1 -7.299 21.804 17.601 3 H3 GLY 1 HT3 GLY 1 -6.104 22.487 18.581 4 HA2 GLY 1 HA1 GLY 1 -5.049 20.344 18.860 5 HA3 GLY 1 HA2 GLY 1 -6.301 19.619 17.862 6 H SER 2 H SER 2 -3.206 20.619 17.806 7 HA SER 2 HA SER 2 -3.141 21.966 15.280 8 HB2 SER 2 HB2 SER 2 -0.665 21.668 15.504 9 HB3 SER 2 HB1 SER 2 -1.411 22.436 16.905 10 HG SER 2 HG SER 2 -1.129 19.646 16.880 11 H GLN 3 H GLN 3 -3.376 21.019 13.374 12 HA GLN 3 HA GLN 3 -3.088 18.165 13.060 13 HB2 GLN 3 HB2 GLN 3 -3.641 20.337 11.025 14 HB3 GLN 3 HB1 GLN 3 -3.692 18.612 10.695 15 HG2 GLN 3 HG2 GLN 3 -5.517 18.375 12.324 16 HG3 GLN 3 HG1 GLN 3 -5.483 20.119 12.587 17 HE21 GLN 3 HE21 GLN 3 -6.331 17.566 10.400 18 HE22 GLN 3 HE22 GLN 3 -7.259 18.530 9.307 19 H THR 4 H THR 4 -0.790 18.236 13.754 20 HA THR 4 HA THR 4 1.061 19.338 11.788 21 HB THR 4 HB THR 4 1.675 17.963 14.411 22 HG1 THR 4 HG1 THR 4 1.055 20.634 13.728 23 HG21 THR 4 HG21 THR 4 3.357 19.747 12.643 24 HG22 THR 4 HG22 THR 4 3.561 18.007 12.842 25 HG23 THR 4 HG23 THR 4 3.846 19.087 14.206 26 H THR 5 H THR 5 0.115 16.223 13.190 27 HA THR 5 HA THR 5 1.960 14.735 11.559 28 HB THR 5 HB THR 5 -0.435 13.582 12.989 29 HG1 THR 5 HG1 THR 5 1.815 14.804 14.033 30 HG21 THR 5 HG21 THR 5 0.842 12.077 11.526 31 HG22 THR 5 HG22 THR 5 1.017 11.625 13.222 32 HG23 THR 5 HG23 THR 5 2.318 12.484 12.400 33 H ALA 6 H ALA 6 1.233 15.752 9.535 34 HA ALA 6 HA ALA 6 -1.382 15.065 8.528 35 HB1 ALA 6 HB1 ALA 6 0.978 16.335 7.148 36 HB2 ALA 6 HB2 ALA 6 -0.363 17.188 7.913 37 HB3 ALA 6 HB3 ALA 6 -0.649 16.195 6.484 38 HA PRO 7 HA PRO 7 0.236 11.147 7.114 39 HB2 PRO 7 HB2 PRO 7 -2.133 9.995 6.569 40 HB3 PRO 7 HB1 PRO 7 -1.565 10.230 8.225 41 HG2 PRO 7 HG2 PRO 7 -3.568 11.796 6.666 42 HG3 PRO 7 HG1 PRO 7 -3.577 11.352 8.381 43 HD2 PRO 7 HD2 PRO 7 -2.821 13.823 7.389 44 HD3 PRO 7 HD1 PRO 7 -2.350 13.177 8.972 45 H ASP 8 H ASP 8 1.262 11.558 5.203 46 HA ASP 8 HA ASP 8 -0.275 11.984 2.772 47 HB2 ASP 8 HB2 ASP 8 2.682 11.542 3.238 48 HB3 ASP 8 HB1 ASP 8 1.966 11.783 1.650 49 H ALA 9 H ALA 9 1.116 9.473 4.632 50 HA ALA 9 HA ALA 9 0.630 7.449 2.582 51 HB1 ALA 9 HB1 ALA 9 1.737 7.143 5.370 52 HB2 ALA 9 HB2 ALA 9 2.705 7.349 3.914 53 HB3 ALA 9 HB3 ALA 9 1.704 5.911 4.110 54 HA PRO 10 HA PRO 10 -3.557 6.762 3.985 55 HB2 PRO 10 HB2 PRO 10 -2.805 3.971 3.206 56 HB3 PRO 10 HB1 PRO 10 -4.258 4.895 2.804 57 HG2 PRO 10 HG2 PRO 10 -2.344 4.607 1.002 58 HG3 PRO 10 HG1 PRO 10 -3.159 6.170 1.196 59 HD2 PRO 10 HD2 PRO 10 -0.444 5.335 2.089 60 HD3 PRO 10 HD1 PRO 10 -0.988 6.893 1.498 61 HA PRO 11 HA PRO 11 -2.868 5.895 8.248 62 HB2 PRO 11 HB2 PRO 11 -5.652 4.821 8.007 63 HB3 PRO 11 HB1 PRO 11 -4.966 5.903 9.226 64 HG2 PRO 11 HG2 PRO 11 -6.468 6.865 7.252 65 HG3 PRO 11 HG1 PRO 11 -5.039 7.746 7.823 66 HD2 PRO 11 HD2 PRO 11 -5.438 6.221 5.309 67 HD3 PRO 11 HD1 PRO 11 -4.381 7.607 5.637 68 H ASP 12 H ASP 12 -5.024 3.322 7.014 69 HA ASP 12 HA ASP 12 -3.044 1.286 7.602 70 HB2 ASP 12 HB2 ASP 12 -4.187 1.777 9.788 71 HB3 ASP 12 HB1 ASP 12 -5.700 1.267 9.053 72 HA PRO 13 HA PRO 13 -5.441 -0.245 4.087 73 HB2 PRO 13 HB2 PRO 13 -3.467 -2.428 4.184 74 HB3 PRO 13 HB1 PRO 13 -3.843 -1.317 2.863 75 HG2 PRO 13 HG2 PRO 13 -1.540 -1.145 4.235 76 HG3 PRO 13 HG1 PRO 13 -2.375 0.296 3.625 77 HD2 PRO 13 HD2 PRO 13 -2.333 -0.837 6.401 78 HD3 PRO 13 HD1 PRO 13 -2.219 0.856 5.872 79 H THR 14 H THR 14 -7.278 -1.243 4.578 80 HA THR 14 HA THR 14 -7.271 -3.264 6.694 81 HB THR 14 HB THR 14 -9.779 -2.898 6.622 82 HG1 THR 14 HG1 THR 14 -10.193 -1.913 4.725 83 HG21 THR 14 HG21 THR 14 -8.019 -0.530 7.247 84 HG22 THR 14 HG22 THR 14 -8.381 -1.872 8.331 85 HG23 THR 14 HG23 THR 14 -9.663 -0.766 7.838 86 H VAL 15 H VAL 15 -7.905 -5.321 6.362 87 HA VAL 15 HA VAL 15 -8.360 -6.088 3.561 88 HB VAL 15 HB VAL 15 -7.114 -7.614 5.850 89 HG11 VAL 15 HG11 VAL 15 -7.749 -8.585 3.071 90 HG12 VAL 15 HG12 VAL 15 -8.498 -9.142 4.566 91 HG13 VAL 15 HG13 VAL 15 -6.789 -9.455 4.264 92 HG21 VAL 15 HG21 VAL 15 -6.010 -6.716 3.189 93 HG22 VAL 15 HG22 VAL 15 -5.135 -7.636 4.415 94 HG23 VAL 15 HG23 VAL 15 -5.657 -5.985 4.755 95 H ASP 16 H ASP 16 -10.421 -6.537 3.134 96 HA ASP 16 HA ASP 16 -12.072 -7.832 5.170 97 HB2 ASP 16 HB2 ASP 16 -12.746 -6.786 2.413 98 HB3 ASP 16 HB1 ASP 16 -13.896 -7.626 3.442 99 H GLN 17 H GLN 17 -12.170 -9.971 5.274 100 HA GLN 17 HA GLN 17 -11.313 -11.509 2.944 101 HB2 GLN 17 HB2 GLN 17 -11.112 -13.425 4.469 102 HB3 GLN 17 HB1 GLN 17 -10.133 -12.082 4.968 103 HG2 GLN 17 HG2 GLN 17 -12.789 -12.790 6.192 104 HG3 GLN 17 HG1 GLN 17 -11.228 -13.297 6.827 105 HE21 GLN 17 HE21 GLN 17 -13.522 -10.753 6.575 106 HE22 GLN 17 HE22 GLN 17 -12.697 -9.615 7.586 107 H VAL 18 H VAL 18 -13.218 -11.118 1.777 108 HA VAL 18 HA VAL 18 -15.668 -12.332 2.831 109 HB VAL 18 HB VAL 18 -16.808 -11.211 0.934 110 HG11 VAL 18 HG11 VAL 18 -16.694 -10.127 3.105 111 HG12 VAL 18 HG12 VAL 18 -16.606 -8.932 1.811 112 HG13 VAL 18 HG13 VAL 18 -15.145 -9.402 2.679 113 HG21 VAL 18 HG21 VAL 18 -14.955 -11.121 -0.644 114 HG22 VAL 18 HG22 VAL 18 -14.091 -10.003 0.412 115 HG23 VAL 18 HG23 VAL 18 -15.600 -9.507 -0.354 116 H ASP 19 H ASP 19 -13.138 -13.513 1.331 117 HA ASP 19 HA ASP 19 -14.749 -15.444 -0.155 118 HB2 ASP 19 HB2 ASP 19 -13.653 -13.602 -1.673 119 HB3 ASP 19 HB1 ASP 19 -12.174 -14.507 -1.371 120 H ASP 20 H ASP 20 -12.827 -17.131 -1.049 121 HA ASP 20 HA ASP 20 -11.909 -18.224 1.476 122 HB2 ASP 20 HB2 ASP 20 -12.960 -19.708 -0.177 123 HB3 ASP 20 HB1 ASP 20 -11.682 -19.336 -1.330 124 H THR 21 H THR 21 -10.410 -17.417 -1.644 125 HA THR 21 HA THR 21 -7.870 -17.029 -0.208 126 HB THR 21 HB THR 21 -6.875 -17.616 -2.558 127 HG1 THR 21 HG1 THR 21 -9.090 -19.336 -2.727 128 HG21 THR 21 HG21 THR 21 -8.020 -19.717 -0.717 129 HG22 THR 21 HG22 THR 21 -6.456 -18.915 -0.550 130 HG23 THR 21 HG23 THR 21 -6.755 -19.988 -1.917 131 H SER 22 H SER 22 -10.129 -15.215 -1.139 132 HA SER 22 HA SER 22 -8.396 -13.270 -2.489 133 HB2 SER 22 HB2 SER 22 -11.349 -13.645 -3.052 134 HB3 SER 22 HB1 SER 22 -10.273 -12.485 -3.828 135 HG SER 22 HG SER 22 -9.286 -14.999 -4.004 136 H ILE 23 H ILE 23 -8.554 -11.187 -1.764 137 HA ILE 23 HA ILE 23 -10.416 -10.692 0.475 138 HB ILE 23 HB ILE 23 -8.728 -9.377 1.606 139 HG12 ILE 23 HG12 ILE 23 -6.664 -10.269 -0.388 140 HG13 ILE 23 HG11 ILE 23 -7.600 -8.806 -0.668 141 HG21 ILE 23 HG21 ILE 23 -7.710 -12.108 0.844 142 HG22 ILE 23 HG22 ILE 23 -8.796 -11.720 2.177 143 HG23 ILE 23 HG23 ILE 23 -7.125 -11.156 2.209 144 HD11 ILE 23 HD11 ILE 23 -5.745 -9.359 1.629 145 HD12 ILE 23 HD12 ILE 23 -6.793 -7.945 1.509 146 HD13 ILE 23 HD13 ILE 23 -5.523 -8.199 0.317 147 H VAL 24 H VAL 24 -10.800 -8.383 0.864 148 HA VAL 24 HA VAL 24 -10.247 -6.695 -1.488 149 HB VAL 24 HB VAL 24 -12.486 -6.325 0.516 150 HG11 VAL 24 HG11 VAL 24 -11.893 -4.905 -2.079 151 HG12 VAL 24 HG12 VAL 24 -11.698 -4.234 -0.460 152 HG13 VAL 24 HG13 VAL 24 -13.307 -4.637 -1.059 153 HG21 VAL 24 HG21 VAL 24 -13.996 -6.992 -1.297 154 HG22 VAL 24 HG22 VAL 24 -12.895 -8.298 -0.856 155 HG23 VAL 24 HG23 VAL 24 -12.605 -7.355 -2.318 156 H VAL 25 H VAL 25 -8.468 -5.591 -0.991 157 HA VAL 25 HA VAL 25 -8.052 -4.674 1.749 158 HB VAL 25 HB VAL 25 -6.121 -5.739 0.853 159 HG11 VAL 25 HG11 VAL 25 -5.007 -4.899 -1.224 160 HG12 VAL 25 HG12 VAL 25 -6.478 -3.983 -1.557 161 HG13 VAL 25 HG13 VAL 25 -6.533 -5.746 -1.466 162 HG21 VAL 25 HG21 VAL 25 -4.425 -3.974 0.858 163 HG22 VAL 25 HG22 VAL 25 -5.605 -3.764 2.156 164 HG23 VAL 25 HG23 VAL 25 -5.697 -2.760 0.707 165 H ARG 26 H ARG 26 -8.549 -2.696 2.344 166 HA ARG 26 HA ARG 26 -9.026 -0.683 0.241 167 HB2 ARG 26 HB2 ARG 26 -10.342 -0.757 2.956 168 HB3 ARG 26 HB1 ARG 26 -10.782 0.238 1.576 169 HG2 ARG 26 HG2 ARG 26 -11.427 -1.814 0.357 170 HG3 ARG 26 HG1 ARG 26 -11.091 -2.745 1.818 171 HD2 ARG 26 HD2 ARG 26 -12.745 -1.292 3.013 172 HD3 ARG 26 HD1 ARG 26 -13.171 -0.598 1.450 173 HE ARG 26 HE ARG 26 -13.577 -3.415 2.241 174 HH11 ARG 26 HH11 ARG 26 -14.350 -0.668 0.179 175 HH12 ARG 26 HH12 ARG 26 -15.725 -1.445 -0.536 176 HH21 ARG 26 HH21 ARG 26 -15.385 -4.417 1.293 177 HH22 ARG 26 HH22 ARG 26 -16.322 -3.569 0.104 178 H TRP 27 H TRP 27 -8.407 1.450 0.653 179 HA TRP 27 HA TRP 27 -6.845 1.911 3.086 180 HB2 TRP 27 HB2 TRP 27 -5.215 3.239 1.580 181 HB3 TRP 27 HB1 TRP 27 -5.077 1.486 1.619 182 HD1 TRP 27 HD1 TRP 27 -6.207 4.346 -0.678 183 HE1 TRP 27 HE1 TRP 27 -6.301 3.465 -3.097 184 HE3 TRP 27 HE3 TRP 27 -5.329 -0.606 0.229 185 HZ2 TRP 27 HZ2 TRP 27 -6.022 1.002 -4.439 186 HZ3 TRP 27 HZ3 TRP 27 -5.253 -2.158 -1.677 187 HH2 TRP 27 HH2 TRP 27 -5.594 -1.370 -3.963 188 H SER 28 H SER 28 -7.471 3.650 4.088 189 HA SER 28 HA SER 28 -9.418 5.431 3.119 190 HB2 SER 28 HB2 SER 28 -9.054 4.976 5.515 191 HB3 SER 28 HB1 SER 28 -7.475 5.752 5.427 192 HG SER 28 HG SER 28 -8.501 7.709 4.983 193 H ARG 29 H ARG 29 -9.272 7.515 2.324 194 HA ARG 29 HA ARG 29 -6.975 8.175 0.810 195 HB2 ARG 29 HB2 ARG 29 -9.311 9.919 1.617 196 HB3 ARG 29 HB1 ARG 29 -8.067 10.401 0.480 197 HG2 ARG 29 HG2 ARG 29 -9.872 9.747 -0.841 198 HG3 ARG 29 HG1 ARG 29 -8.771 8.371 -0.892 199 HD2 ARG 29 HD2 ARG 29 -10.077 7.183 0.711 200 HD3 ARG 29 HD1 ARG 29 -11.093 8.592 1.005 201 HE ARG 29 HE ARG 29 -11.291 7.956 -1.704 202 HH11 ARG 29 HH11 ARG 29 -12.111 6.562 1.390 203 HH12 ARG 29 HH12 ARG 29 -13.457 5.656 0.778 204 HH21 ARG 29 HH21 ARG 29 -13.075 6.775 -2.528 205 HH22 ARG 29 HH22 ARG 29 -14.007 5.779 -1.457 206 HA PRO 30 HA PRO 30 -4.281 9.947 3.904 207 HB2 PRO 30 HB2 PRO 30 -3.538 11.594 1.529 208 HB3 PRO 30 HB1 PRO 30 -2.500 10.719 2.659 209 HG2 PRO 30 HG2 PRO 30 -2.994 9.759 0.217 210 HG3 PRO 30 HG1 PRO 30 -2.850 8.687 1.619 211 HD2 PRO 30 HD2 PRO 30 -5.279 9.512 0.118 212 HD3 PRO 30 HD1 PRO 30 -4.942 8.013 0.989 213 H1 MET 31 HT1 MET 31 -6.606 28.363 2.918 214 H2 MET 31 HT2 MET 31 -6.477 30.029 2.691 215 H3 MET 31 HT3 MET 31 -7.839 29.386 3.457 216 HA MET 31 HA MET 31 -6.325 30.402 5.037 217 HB2 MET 31 HB2 MET 31 -6.484 27.384 5.218 218 HB3 MET 31 HB1 MET 31 -6.090 28.451 6.556 219 HG2 MET 31 HG2 MET 31 -8.310 29.512 6.306 220 HG3 MET 31 HG1 MET 31 -8.693 28.331 5.057 221 HE1 MET 31 HE1 MET 31 -7.378 25.679 6.144 222 HE2 MET 31 HE2 MET 31 -9.017 25.747 5.499 223 HE3 MET 31 HE3 MET 31 -8.713 24.976 7.056 224 H ARG 32 H ARG 32 -4.286 30.549 5.942 225 HA ARG 32 HA ARG 32 -2.029 30.651 5.938 226 HB2 ARG 32 HB2 ARG 32 -2.233 28.195 6.314 227 HB3 ARG 32 HB1 ARG 32 -2.152 27.948 4.578 228 HG2 ARG 32 HG2 ARG 32 -0.010 27.492 5.600 229 HG3 ARG 32 HG1 ARG 32 0.104 28.903 4.551 230 HD2 ARG 32 HD2 ARG 32 1.313 29.311 6.604 231 HD3 ARG 32 HD1 ARG 32 -0.101 30.358 6.529 232 HE ARG 32 HE ARG 32 -0.843 28.073 7.929 233 HH11 ARG 32 HH11 ARG 32 1.394 30.740 8.284 234 HH12 ARG 32 HH12 ARG 32 1.360 30.710 10.016 235 HH21 ARG 32 HH21 ARG 32 -0.906 28.047 10.221 236 HH22 ARG 32 HH22 ARG 32 0.046 29.187 11.118 237 H GLY 33 H GLY 33 -3.195 32.124 4.067 238 HA2 GLY 33 HA2 GLY 33 -1.942 33.418 2.447 239 HA3 GLY 33 HA1 GLY 33 -1.298 31.908 1.823 240 H SER 34 H SER 34 -2.205 33.464 -0.035 241 HA SER 34 HA SER 34 -4.969 33.374 -0.605 242 HB2 SER 34 HB2 SER 34 -3.323 34.951 -1.648 243 HB3 SER 34 HB1 SER 34 -2.672 33.597 -2.571 244 HG SER 34 HG SER 34 -5.341 34.579 -2.672 245 H ASN 35 H ASN 35 -2.287 31.215 -1.294 246 HA ASN 35 HA ASN 35 -4.213 29.123 -1.926 247 HB2 ASN 35 HB2 ASN 35 -3.044 28.393 -3.924 248 HB3 ASN 35 HB1 ASN 35 -3.540 30.068 -4.119 249 HD21 ASN 35 HD21 ASN 35 -0.882 27.882 -3.845 250 HD22 ASN 35 HD22 ASN 35 0.365 29.024 -4.204 251 H ALA 36 H ALA 36 -3.576 27.119 -1.265 252 HA ALA 36 HA ALA 36 -0.840 26.798 -0.272 253 HB1 ALA 36 HB1 ALA 36 -1.643 25.783 1.800 254 HB2 ALA 36 HB2 ALA 36 -3.308 26.123 1.329 255 HB3 ALA 36 HB3 ALA 36 -2.197 27.452 1.655 256 HA PRO 37 HA PRO 37 -1.851 23.237 -2.889 257 HB2 PRO 37 HB2 PRO 37 0.748 22.437 -3.180 258 HB3 PRO 37 HB1 PRO 37 -0.020 23.671 -4.184 259 HG2 PRO 37 HG2 PRO 37 1.806 23.992 -1.844 260 HG3 PRO 37 HG1 PRO 37 1.735 24.926 -3.348 261 HD2 PRO 37 HD2 PRO 37 0.700 25.815 -1.005 262 HD3 PRO 37 HD1 PRO 37 0.024 26.257 -2.585 263 H GLN 38 H GLN 38 -2.797 21.795 -1.591 264 HA GLN 38 HA GLN 38 -1.391 20.608 0.642 265 HB2 GLN 38 HB2 GLN 38 -3.861 21.174 0.631 266 HB3 GLN 38 HB1 GLN 38 -4.084 19.837 -0.488 267 HG2 GLN 38 HG2 GLN 38 -4.623 19.084 1.710 268 HG3 GLN 38 HG1 GLN 38 -3.113 18.319 1.217 269 HE21 GLN 38 HE21 GLN 38 -4.572 20.701 3.286 270 HE22 GLN 38 HE22 GLN 38 -3.219 20.904 4.343 271 HA PRO 39 HA PRO 39 0.347 17.311 -1.904 272 HB2 PRO 39 HB2 PRO 39 0.611 16.110 0.808 273 HB3 PRO 39 HB1 PRO 39 1.824 16.292 -0.463 274 HG2 PRO 39 HG2 PRO 39 1.869 17.864 1.681 275 HG3 PRO 39 HG1 PRO 39 2.245 18.509 0.071 276 HD2 PRO 39 HD2 PRO 39 -0.252 18.784 1.690 277 HD3 PRO 39 HD1 PRO 39 0.554 19.972 0.645 278 H SER 40 H SER 40 -1.333 16.365 -2.925 279 HA SER 40 HA SER 40 -2.704 14.171 -1.750 280 HB2 SER 40 HB2 SER 40 -5.006 15.216 -2.034 281 HB3 SER 40 HB1 SER 40 -4.063 15.825 -0.676 282 HG SER 40 HG SER 40 -3.403 17.561 -2.127 283 H HIS 41 H HIS 41 -4.949 14.172 -3.461 284 HA HIS 41 HA HIS 41 -5.541 13.435 -5.511 285 HB2 HIS 41 HB2 HIS 41 -3.530 15.529 -6.353 286 HB3 HIS 41 HB1 HIS 41 -4.544 14.648 -7.491 287 HD1 HIS 41 HD1 HIS 41 -6.853 15.535 -7.873 288 HD2 HIS 41 HD2 HIS 41 -5.047 17.210 -4.528 289 HE1 HIS 41 HE1 HIS 41 -8.376 17.392 -7.144 290 HE2 HIS 41 HE2 HIS 41 -7.202 18.476 -5.203 291 H ILE 42 H ILE 42 -4.424 11.503 -4.615 292 HA ILE 42 HA ILE 42 -1.870 10.758 -5.590 293 HB ILE 42 HB ILE 42 -4.123 9.121 -4.426 294 HG12 ILE 42 HG12 ILE 42 -2.400 8.820 -2.576 295 HG13 ILE 42 HG11 ILE 42 -1.458 10.075 -3.369 296 HG21 ILE 42 HG21 ILE 42 -2.903 7.703 -5.970 297 HG22 ILE 42 HG22 ILE 42 -2.554 7.238 -4.304 298 HG23 ILE 42 HG23 ILE 42 -1.376 8.175 -5.224 299 HD11 ILE 42 HD11 ILE 42 -4.226 10.384 -2.234 300 HD12 ILE 42 HD12 ILE 42 -3.301 11.648 -3.044 301 HD13 ILE 42 HD13 ILE 42 -2.727 10.975 -1.518 302 H SER 43 H SER 43 -1.302 10.030 -7.495 303 HA SER 43 HA SER 43 -3.230 9.949 -9.610 304 HB2 SER 43 HB2 SER 43 -0.941 10.912 -9.852 305 HB3 SER 43 HB1 SER 43 -0.273 9.292 -9.670 306 HG SER 43 HG SER 43 -1.359 10.485 -11.858 307 H LYS 44 H LYS 44 -1.366 7.607 -7.772 308 HA LYS 44 HA LYS 44 -3.127 5.497 -8.551 309 HB2 LYS 44 HB2 LYS 44 -1.397 4.032 -9.540 310 HB3 LYS 44 HB1 LYS 44 -1.718 5.454 -10.521 311 HG2 LYS 44 HG2 LYS 44 0.303 6.513 -9.671 312 HG3 LYS 44 HG1 LYS 44 0.619 5.109 -8.651 313 HD2 LYS 44 HD2 LYS 44 0.794 3.703 -10.655 314 HD3 LYS 44 HD1 LYS 44 0.498 5.119 -11.667 315 HE2 LYS 44 HE2 LYS 44 2.524 6.168 -10.747 316 HE3 LYS 44 HE1 LYS 44 2.826 4.718 -9.795 317 HZ1 LYS 44 HZ1 LYS 44 2.755 4.874 -12.756 318 HZ2 LYS 44 HZ2 LYS 44 3.001 3.460 -11.860 319 HZ3 LYS 44 HZ3 LYS 44 4.140 4.709 -11.800 320 H TYR 45 H TYR 45 -3.001 3.729 -7.228 321 HA TYR 45 HA TYR 45 -1.063 3.861 -4.998 322 HB2 TYR 45 HB2 TYR 45 -3.786 2.533 -5.176 323 HB3 TYR 45 HB1 TYR 45 -2.691 2.373 -3.813 324 HD1 TYR 45 HD1 TYR 45 -2.189 4.367 -2.405 325 HD2 TYR 45 HD2 TYR 45 -5.193 4.434 -5.412 326 HE1 TYR 45 HE1 TYR 45 -3.196 6.342 -1.343 327 HE2 TYR 45 HE2 TYR 45 -6.206 6.414 -4.362 328 HH TYR 45 HH TYR 45 -4.627 8.219 -1.935 329 H ILE 46 H ILE 46 0.461 2.282 -4.998 330 HA ILE 46 HA ILE 46 0.058 0.022 -6.831 331 HB ILE 46 HB ILE 46 2.604 1.144 -5.647 332 HG12 ILE 46 HG12 ILE 46 3.142 1.357 -8.152 333 HG13 ILE 46 HG11 ILE 46 1.422 1.107 -8.419 334 HG21 ILE 46 HG21 ILE 46 3.800 -0.534 -6.964 335 HG22 ILE 46 HG22 ILE 46 2.260 -1.254 -7.435 336 HG23 ILE 46 HG23 ILE 46 2.762 -1.275 -5.746 337 HD11 ILE 46 HD11 ILE 46 1.980 3.456 -8.455 338 HD12 ILE 46 HD12 ILE 46 2.663 3.340 -6.834 339 HD13 ILE 46 HD13 ILE 46 0.934 3.091 -7.082 340 H LEU 47 H LEU 47 -0.505 -1.847 -5.996 341 HA LEU 47 HA LEU 47 0.004 -2.389 -3.149 342 HB2 LEU 47 HB2 LEU 47 -2.314 -2.567 -4.406 343 HB3 LEU 47 HB1 LEU 47 -1.681 -4.104 -4.949 344 HG LEU 47 HG LEU 47 -3.124 -4.479 -3.079 345 HD11 LEU 47 HD11 LEU 47 -1.585 -5.508 -1.429 346 HD12 LEU 47 HD12 LEU 47 -0.236 -4.783 -2.309 347 HD13 LEU 47 HD13 LEU 47 -1.278 -5.964 -3.103 348 HD21 LEU 47 HD21 LEU 47 -2.763 -3.506 -0.887 349 HD22 LEU 47 HD22 LEU 47 -3.044 -2.252 -2.095 350 HD23 LEU 47 HD23 LEU 47 -1.409 -2.564 -1.513 351 H ARG 48 H ARG 48 1.893 -3.453 -2.841 352 HA ARG 48 HA ARG 48 2.512 -5.665 -4.697 353 HB2 ARG 48 HB2 ARG 48 4.614 -4.090 -3.215 354 HB3 ARG 48 HB1 ARG 48 4.842 -5.221 -4.543 355 HG2 ARG 48 HG2 ARG 48 3.498 -3.585 -5.951 356 HG3 ARG 48 HG1 ARG 48 3.723 -2.445 -4.625 357 HD2 ARG 48 HD2 ARG 48 5.875 -3.769 -6.263 358 HD3 ARG 48 HD1 ARG 48 5.411 -2.071 -6.298 359 HE ARG 48 HE ARG 48 6.160 -2.123 -3.852 360 HH11 ARG 48 HH11 ARG 48 7.584 -3.991 -6.454 361 HH12 ARG 48 HH12 ARG 48 9.139 -4.112 -5.682 362 HH21 ARG 48 HH21 ARG 48 8.224 -2.276 -2.842 363 HH22 ARG 48 HH22 ARG 48 9.504 -3.131 -3.640 364 H TRP 49 H TRP 49 2.436 -7.581 -3.718 365 HA TRP 49 HA TRP 49 3.051 -7.669 -0.847 366 HB2 TRP 49 HB2 TRP 49 1.213 -9.174 -0.433 367 HB3 TRP 49 HB1 TRP 49 0.594 -7.724 -1.212 368 HD1 TRP 49 HD1 TRP 49 0.665 -11.440 -1.533 369 HE1 TRP 49 HE1 TRP 49 -0.552 -12.168 -3.681 370 HE3 TRP 49 HE3 TRP 49 0.232 -6.879 -3.796 371 HZ2 TRP 49 HZ2 TRP 49 -1.561 -10.955 -6.029 372 HZ3 TRP 49 HZ3 TRP 49 -0.875 -6.744 -5.986 373 HH2 TRP 49 HH2 TRP 49 -1.747 -8.742 -7.083 374 H ARG 50 H ARG 50 4.054 -9.469 -0.089 375 HA ARG 50 HA ARG 50 4.626 -11.646 -1.966 376 HB2 ARG 50 HB2 ARG 50 6.563 -10.162 -2.067 377 HB3 ARG 50 HB1 ARG 50 6.695 -10.187 -0.315 378 HG2 ARG 50 HG2 ARG 50 7.104 -12.632 -0.435 379 HG3 ARG 50 HG1 ARG 50 7.125 -12.496 -2.194 380 HD2 ARG 50 HD2 ARG 50 9.384 -12.462 -1.382 381 HD3 ARG 50 HD1 ARG 50 8.971 -10.865 -2.004 382 HE ARG 50 HE ARG 50 8.452 -10.937 0.759 383 HH11 ARG 50 HH11 ARG 50 11.128 -10.919 -1.493 384 HH12 ARG 50 HH12 ARG 50 12.242 -10.215 -0.367 385 HH21 ARG 50 HH21 ARG 50 9.892 -9.981 2.243 386 HH22 ARG 50 HH22 ARG 50 11.540 -9.684 1.760 387 HA PRO 51 HA PRO 51 3.330 -13.885 1.745 388 HB2 PRO 51 HB2 PRO 51 4.347 -16.103 0.038 389 HB3 PRO 51 HB1 PRO 51 2.818 -15.969 0.914 390 HG2 PRO 51 HG2 PRO 51 2.893 -15.676 -1.730 391 HG3 PRO 51 HG1 PRO 51 1.840 -14.656 -0.733 392 HD2 PRO 51 HD2 PRO 51 4.453 -13.992 -2.024 393 HD3 PRO 51 HD1 PRO 51 3.005 -12.983 -1.818 394 H LYS 52 H LYS 52 4.509 -14.447 3.459 395 HA LYS 52 HA LYS 52 7.285 -13.992 3.525 396 HB2 LYS 52 HB2 LYS 52 5.377 -15.300 5.445 397 HB3 LYS 52 HB1 LYS 52 7.079 -15.081 5.825 398 HG2 LYS 52 HG2 LYS 52 5.187 -12.845 5.127 399 HG3 LYS 52 HG1 LYS 52 5.585 -13.339 6.773 400 HD2 LYS 52 HD2 LYS 52 7.535 -12.327 4.701 401 HD3 LYS 52 HD1 LYS 52 6.918 -11.410 6.076 402 HE2 LYS 52 HE2 LYS 52 7.920 -13.109 7.586 403 HE3 LYS 52 HE1 LYS 52 8.626 -13.891 6.177 404 HZ1 LYS 52 HZ1 LYS 52 10.211 -12.441 7.258 405 HZ2 LYS 52 HZ2 LYS 52 9.177 -11.118 7.071 406 HZ3 LYS 52 HZ3 LYS 52 9.852 -11.862 5.711 407 H ASN 53 H ASN 53 5.405 -16.833 2.962 408 HA ASN 53 HA ASN 53 7.509 -18.716 3.412 409 HB2 ASN 53 HB2 ASN 53 5.115 -19.309 3.603 410 HB3 ASN 53 HB1 ASN 53 4.913 -19.013 1.880 411 HD21 ASN 53 HD21 ASN 53 5.763 -20.452 0.418 412 HD22 ASN 53 HD22 ASN 53 6.256 -22.050 0.859 413 H SER 54 H SER 54 6.717 -16.567 0.897 414 HA SER 54 HA SER 54 7.979 -18.064 -1.224 415 HB2 SER 54 HB2 SER 54 7.059 -15.180 -1.125 416 HB3 SER 54 HB1 SER 54 7.565 -16.048 -2.575 417 HG SER 54 HG SER 54 5.725 -17.519 -1.370 418 H VAL 55 H VAL 55 9.906 -17.483 -2.261 419 HA VAL 55 HA VAL 55 11.939 -16.956 -0.355 420 HB VAL 55 HB VAL 55 12.213 -18.703 -2.012 421 HG11 VAL 55 HG11 VAL 55 11.002 -17.751 -3.871 422 HG12 VAL 55 HG12 VAL 55 12.640 -18.172 -4.373 423 HG13 VAL 55 HG13 VAL 55 12.220 -16.489 -4.053 424 HG21 VAL 55 HG21 VAL 55 14.197 -16.471 -2.375 425 HG22 VAL 55 HG22 VAL 55 14.472 -18.165 -2.780 426 HG23 VAL 55 HG23 VAL 55 14.214 -17.689 -1.102 427 H GLY 56 H GLY 56 10.672 -15.077 -3.122 428 HA2 GLY 56 HA2 GLY 56 11.959 -12.740 -2.091 429 HA3 GLY 56 HA1 GLY 56 12.784 -13.355 -3.502 430 H ARG 57 H ARG 57 10.328 -14.174 -4.841 431 HA ARG 57 HA ARG 57 10.004 -11.813 -6.317 432 HB2 ARG 57 HB2 ARG 57 8.476 -14.392 -6.323 433 HB3 ARG 57 HB1 ARG 57 8.029 -13.048 -7.362 434 HG2 ARG 57 HG2 ARG 57 10.323 -13.091 -8.303 435 HG3 ARG 57 HG1 ARG 57 10.630 -14.551 -7.359 436 HD2 ARG 57 HD2 ARG 57 8.889 -15.731 -8.517 437 HD3 ARG 57 HD1 ARG 57 8.388 -14.259 -9.348 438 HE ARG 57 HE ARG 57 11.125 -15.110 -9.795 439 HH11 ARG 57 HH11 ARG 57 7.820 -15.109 -10.937 440 HH12 ARG 57 HH12 ARG 57 8.253 -15.468 -12.576 441 HH21 ARG 57 HH21 ARG 57 11.701 -15.583 -11.943 442 HH22 ARG 57 HH22 ARG 57 10.467 -15.734 -13.152 443 H TRP 58 H TRP 58 8.788 -10.115 -6.097 444 HA TRP 58 HA TRP 58 6.572 -10.098 -4.196 445 HB2 TRP 58 HB2 TRP 58 7.871 -7.879 -5.796 446 HB3 TRP 58 HB1 TRP 58 6.526 -7.644 -4.686 447 HD1 TRP 58 HD1 TRP 58 10.271 -8.500 -4.703 448 HE1 TRP 58 HE1 TRP 58 11.227 -8.013 -2.364 449 HE3 TRP 58 HE3 TRP 58 5.912 -7.423 -2.261 450 HZ2 TRP 58 HZ2 TRP 58 10.256 -7.268 0.184 451 HZ3 TRP 58 HZ3 TRP 58 6.010 -6.833 0.126 452 HH2 TRP 58 HH2 TRP 58 8.139 -6.758 1.321 453 H LYS 59 H LYS 59 4.443 -9.832 -4.780 454 HA LYS 59 HA LYS 59 3.825 -9.864 -7.648 455 HB2 LYS 59 HB2 LYS 59 2.124 -10.357 -5.199 456 HB3 LYS 59 HB1 LYS 59 1.463 -10.252 -6.824 457 HG2 LYS 59 HG2 LYS 59 2.813 -12.170 -7.503 458 HG3 LYS 59 HG1 LYS 59 3.483 -12.272 -5.874 459 HD2 LYS 59 HD2 LYS 59 1.364 -12.822 -4.948 460 HD3 LYS 59 HD1 LYS 59 0.535 -12.439 -6.456 461 HE2 LYS 59 HE2 LYS 59 0.699 -14.836 -6.191 462 HE3 LYS 59 HE1 LYS 59 1.691 -14.311 -7.547 463 HZ1 LYS 59 HZ1 LYS 59 2.892 -15.906 -6.264 464 HZ2 LYS 59 HZ2 LYS 59 2.643 -15.046 -4.834 465 HZ3 LYS 59 HZ3 LYS 59 3.631 -14.403 -6.046 466 H GLU 60 H GLU 60 2.885 -8.110 -8.648 467 HA GLU 60 HA GLU 60 2.503 -5.745 -6.938 468 HB2 GLU 60 HB2 GLU 60 3.921 -5.710 -9.600 469 HB3 GLU 60 HB1 GLU 60 3.778 -4.389 -8.451 470 HG2 GLU 60 HG2 GLU 60 5.196 -5.558 -6.880 471 HG3 GLU 60 HG1 GLU 60 5.280 -6.950 -7.958 472 H ALA 61 H ALA 61 0.692 -4.652 -7.319 473 HA ALA 61 HA ALA 61 -0.507 -4.779 -10.002 474 HB1 ALA 61 HB1 ALA 61 -2.736 -4.944 -9.025 475 HB2 ALA 61 HB2 ALA 61 -2.034 -4.994 -7.407 476 HB3 ALA 61 HB3 ALA 61 -1.736 -6.314 -8.538 477 H THR 62 H THR 62 -1.189 -2.846 -10.783 478 HA THR 62 HA THR 62 -0.846 -0.512 -9.038 479 HB THR 62 HB THR 62 -1.119 -0.606 -12.050 480 HG1 THR 62 HG1 THR 62 0.940 -1.257 -10.530 481 HG21 THR 62 HG21 THR 62 -0.317 1.650 -10.206 482 HG22 THR 62 HG22 THR 62 -1.838 1.529 -11.088 483 HG23 THR 62 HG23 THR 62 -0.323 1.713 -11.970 484 H ILE 63 H ILE 63 -2.556 0.520 -8.270 485 HA ILE 63 HA ILE 63 -5.160 0.126 -9.595 486 HB ILE 63 HB ILE 63 -4.608 0.879 -6.714 487 HG12 ILE 63 HG12 ILE 63 -5.899 -1.380 -6.404 488 HG13 ILE 63 HG11 ILE 63 -5.339 -1.712 -8.037 489 HG21 ILE 63 HG21 ILE 63 -6.652 1.898 -7.602 490 HG22 ILE 63 HG22 ILE 63 -7.005 0.681 -6.374 491 HG23 ILE 63 HG23 ILE 63 -7.231 0.303 -8.081 492 HD11 ILE 63 HD11 ILE 63 -3.594 -1.100 -5.662 493 HD12 ILE 63 HD12 ILE 63 -3.030 -1.437 -7.299 494 HD13 ILE 63 HD13 ILE 63 -3.864 -2.689 -6.379 495 HA PRO 64 HA PRO 64 -5.021 4.469 -10.782 496 HB2 PRO 64 HB2 PRO 64 -7.965 4.063 -10.503 497 HB3 PRO 64 HB1 PRO 64 -7.054 4.803 -11.824 498 HG2 PRO 64 HG2 PRO 64 -8.041 2.338 -12.060 499 HG3 PRO 64 HG1 PRO 64 -6.458 2.758 -12.734 500 HD2 PRO 64 HD2 PRO 64 -7.120 1.171 -10.309 501 HD3 PRO 64 HD1 PRO 64 -5.749 1.015 -11.423 502 H GLY 65 H GLY 65 -5.075 6.328 -9.627 503 HA2 GLY 65 HA2 GLY 65 -5.094 6.122 -6.831 504 HA3 GLY 65 HA1 GLY 65 -5.003 7.616 -7.744 505 H HIS 66 H HIS 66 -7.746 6.703 -8.940 506 HA HIS 66 HA HIS 66 -9.282 8.048 -6.894 507 HB2 HIS 66 HB2 HIS 66 -11.185 7.862 -8.517 508 HB3 HIS 66 HB1 HIS 66 -9.792 8.751 -9.107 509 HD1 HIS 66 HD1 HIS 66 -9.023 8.129 -11.361 510 HD2 HIS 66 HD2 HIS 66 -11.228 5.085 -9.593 511 HE1 HIS 66 HE1 HIS 66 -9.302 6.379 -13.140 512 HE2 HIS 66 HE2 HIS 66 -10.786 4.634 -12.102 513 H LEU 67 H LEU 67 -8.394 4.904 -7.353 514 HA LEU 67 HA LEU 67 -10.847 3.875 -6.097 515 HB2 LEU 67 HB2 LEU 67 -8.495 2.324 -7.178 516 HB3 LEU 67 HB1 LEU 67 -9.973 1.638 -6.544 517 HG LEU 67 HG LEU 67 -9.658 3.216 -9.086 518 HD11 LEU 67 HD11 LEU 67 -10.414 0.350 -8.572 519 HD12 LEU 67 HD12 LEU 67 -8.882 0.925 -9.228 520 HD13 LEU 67 HD13 LEU 67 -10.369 1.137 -10.148 521 HD21 LEU 67 HD21 LEU 67 -12.160 2.071 -7.849 522 HD22 LEU 67 HD22 LEU 67 -12.042 2.802 -9.450 523 HD23 LEU 67 HD23 LEU 67 -11.776 3.785 -8.010 524 H ASN 68 H ASN 68 -10.787 2.942 -4.087 525 HA ASN 68 HA ASN 68 -8.234 3.128 -2.647 526 HB2 ASN 68 HB2 ASN 68 -10.941 4.117 -1.768 527 HB3 ASN 68 HB1 ASN 68 -9.647 3.790 -0.618 528 HD21 ASN 68 HD21 ASN 68 -7.888 5.129 -0.530 529 HD22 ASN 68 HD22 ASN 68 -7.806 6.644 -1.365 530 H SER 69 H SER 69 -9.608 0.886 -3.915 531 HA SER 69 HA SER 69 -9.250 -0.976 -1.773 532 HB2 SER 69 HB2 SER 69 -11.508 -2.036 -2.033 533 HB3 SER 69 HB1 SER 69 -11.563 -0.430 -1.304 534 HG SER 69 HG SER 69 -11.803 0.132 -3.756 535 H TYR 70 H TYR 70 -8.645 -2.956 -2.543 536 HA TYR 70 HA TYR 70 -9.130 -3.545 -5.377 537 HB2 TYR 70 HB2 TYR 70 -6.871 -2.605 -5.267 538 HB3 TYR 70 HB1 TYR 70 -6.433 -3.758 -4.012 539 HD1 TYR 70 HD1 TYR 70 -5.215 -5.598 -4.676 540 HD2 TYR 70 HD2 TYR 70 -7.862 -3.797 -7.472 541 HE1 TYR 70 HE1 TYR 70 -4.491 -7.209 -6.388 542 HE2 TYR 70 HE2 TYR 70 -7.145 -5.400 -9.194 543 HH TYR 70 HH TYR 70 -5.306 -8.183 -8.465 544 H THR 71 H THR 71 -9.634 -5.618 -5.778 545 HA THR 71 HA THR 71 -9.807 -7.435 -3.516 546 HB THR 71 HB THR 71 -10.704 -7.899 -6.369 547 HG1 THR 71 HG1 THR 71 -11.705 -6.050 -5.250 548 HG21 THR 71 HG21 THR 71 -11.501 -9.228 -3.773 549 HG22 THR 71 HG22 THR 71 -10.484 -9.937 -5.027 550 HG23 THR 71 HG23 THR 71 -12.179 -9.582 -5.363 551 H ILE 72 H ILE 72 -7.823 -8.284 -3.072 552 HA ILE 72 HA ILE 72 -6.048 -9.161 -5.181 553 HB ILE 72 HB ILE 72 -5.821 -9.637 -2.201 554 HG12 ILE 72 HG12 ILE 72 -4.554 -7.488 -3.919 555 HG13 ILE 72 HG11 ILE 72 -5.829 -7.233 -2.733 556 HG21 ILE 72 HG21 ILE 72 -3.468 -10.088 -2.668 557 HG22 ILE 72 HG22 ILE 72 -3.760 -9.853 -4.392 558 HG23 ILE 72 HG23 ILE 72 -4.518 -11.202 -3.545 559 HD11 ILE 72 HD11 ILE 72 -3.852 -6.567 -1.670 560 HD12 ILE 72 HD12 ILE 72 -2.961 -7.969 -2.268 561 HD13 ILE 72 HD13 ILE 72 -4.193 -8.175 -1.024 562 H LYS 73 H LYS 73 -6.310 -11.032 -6.189 563 HA LYS 73 HA LYS 73 -7.693 -13.215 -4.779 564 HB2 LYS 73 HB2 LYS 73 -7.386 -12.744 -7.753 565 HB3 LYS 73 HB1 LYS 73 -8.248 -14.087 -7.016 566 HG2 LYS 73 HG2 LYS 73 -9.836 -12.522 -6.016 567 HG3 LYS 73 HG1 LYS 73 -8.975 -11.175 -6.761 568 HD2 LYS 73 HD2 LYS 73 -9.480 -12.073 -8.979 569 HD3 LYS 73 HD1 LYS 73 -10.325 -13.435 -8.239 570 HE2 LYS 73 HE2 LYS 73 -11.908 -11.864 -7.206 571 HE3 LYS 73 HE1 LYS 73 -11.079 -10.525 -7.998 572 HZ1 LYS 73 HZ1 LYS 73 -11.657 -11.493 -10.138 573 HZ2 LYS 73 HZ2 LYS 73 -13.042 -11.184 -9.223 574 HZ3 LYS 73 HZ3 LYS 73 -12.464 -12.765 -9.371 575 H GLY 74 H GLY 74 -6.630 -15.066 -4.396 576 HA2 GLY 74 HA2 GLY 74 -5.134 -16.808 -5.141 577 HA3 GLY 74 HA1 GLY 74 -4.135 -15.567 -5.885 578 H LEU 75 H LEU 75 -5.451 -15.129 -2.696 579 HA LEU 75 HA LEU 75 -2.772 -15.211 -1.561 580 HB2 LEU 75 HB2 LEU 75 -5.455 -14.499 -0.374 581 HB3 LEU 75 HB1 LEU 75 -3.969 -14.532 0.551 582 HG LEU 75 HG LEU 75 -4.640 -12.670 -1.723 583 HD11 LEU 75 HD11 LEU 75 -4.402 -10.951 0.001 584 HD12 LEU 75 HD12 LEU 75 -4.140 -12.212 1.206 585 HD13 LEU 75 HD13 LEU 75 -5.690 -12.093 0.375 586 HD21 LEU 75 HD21 LEU 75 -2.453 -11.631 -1.264 587 HD22 LEU 75 HD22 LEU 75 -2.304 -13.270 -1.894 588 HD23 LEU 75 HD23 LEU 75 -2.072 -12.963 -0.173 589 H LYS 76 H LYS 76 -2.704 -16.294 0.724 590 HA LYS 76 HA LYS 76 -4.132 -18.858 0.612 591 HB2 LYS 76 HB2 LYS 76 -1.249 -18.435 1.418 592 HB3 LYS 76 HB1 LYS 76 -2.116 -19.960 1.501 593 HG2 LYS 76 HG2 LYS 76 -2.399 -19.901 -0.944 594 HG3 LYS 76 HG1 LYS 76 -1.458 -18.411 -0.994 595 HD2 LYS 76 HD2 LYS 76 0.459 -19.578 -0.039 596 HD3 LYS 76 HD1 LYS 76 -0.479 -21.068 0.047 597 HE2 LYS 76 HE2 LYS 76 0.235 -19.569 -2.468 598 HE3 LYS 76 HE1 LYS 76 1.008 -21.044 -1.894 599 HZ1 LYS 76 HZ1 LYS 76 -1.793 -20.726 -2.819 600 HZ2 LYS 76 HZ2 LYS 76 -1.218 -22.118 -2.049 601 HZ3 LYS 76 HZ3 LYS 76 -0.566 -21.647 -3.536 602 HA PRO 77 HA PRO 77 -5.371 -17.457 4.665 603 HB2 PRO 77 HB2 PRO 77 -6.674 -19.756 5.374 604 HB3 PRO 77 HB1 PRO 77 -7.381 -18.502 4.350 605 HG2 PRO 77 HG2 PRO 77 -6.114 -21.093 3.575 606 HG3 PRO 77 HG1 PRO 77 -7.555 -20.307 2.908 607 HD2 PRO 77 HD2 PRO 77 -5.152 -20.234 1.672 608 HD3 PRO 77 HD1 PRO 77 -6.320 -18.902 1.567 609 H GLY 78 H GLY 78 -4.113 -17.422 6.384 610 HA2 GLY 78 HA2 GLY 78 -3.010 -18.341 8.245 611 HA3 GLY 78 HA1 GLY 78 -2.971 -19.894 7.425 612 H VAL 79 H VAL 79 -2.017 -17.701 5.195 613 HA VAL 79 HA VAL 79 0.821 -18.076 5.869 614 HB VAL 79 HB VAL 79 -0.450 -17.586 3.166 615 HG11 VAL 79 HG11 VAL 79 1.748 -16.553 3.292 616 HG12 VAL 79 HG12 VAL 79 1.792 -17.981 2.257 617 HG13 VAL 79 HG13 VAL 79 2.435 -18.061 3.897 618 HG21 VAL 79 HG21 VAL 79 0.333 -19.853 2.646 619 HG22 VAL 79 HG22 VAL 79 -0.845 -19.842 3.961 620 HG23 VAL 79 HG23 VAL 79 0.872 -20.037 4.315 621 H VAL 80 H VAL 80 1.784 -16.333 6.623 622 HA VAL 80 HA VAL 80 0.642 -13.721 6.429 623 HB VAL 80 HB VAL 80 3.435 -14.464 7.328 624 HG11 VAL 80 HG11 VAL 80 1.735 -12.051 7.947 625 HG12 VAL 80 HG12 VAL 80 3.131 -12.088 6.869 626 HG13 VAL 80 HG13 VAL 80 3.341 -12.383 8.593 627 HG21 VAL 80 HG21 VAL 80 1.723 -15.719 8.580 628 HG22 VAL 80 HG22 VAL 80 0.956 -14.193 9.022 629 HG23 VAL 80 HG23 VAL 80 2.584 -14.556 9.589 630 H TYR 81 H TYR 81 1.171 -12.075 5.036 631 HA TYR 81 HA TYR 81 3.545 -12.475 3.362 632 HB2 TYR 81 HB2 TYR 81 2.440 -11.613 1.404 633 HB3 TYR 81 HB1 TYR 81 1.514 -12.968 2.026 634 HD1 TYR 81 HD1 TYR 81 -0.762 -12.727 2.527 635 HD2 TYR 81 HD2 TYR 81 1.604 -9.256 1.864 636 HE1 TYR 81 HE1 TYR 81 -2.795 -11.354 2.446 637 HE2 TYR 81 HE2 TYR 81 -0.428 -7.875 1.792 638 HH TYR 81 HH TYR 81 -2.827 -8.162 1.323 639 H GLU 82 H GLU 82 4.402 -10.491 2.435 640 HA GLU 82 HA GLU 82 4.049 -8.208 4.254 641 HB2 GLU 82 HB2 GLU 82 6.199 -8.770 2.194 642 HB3 GLU 82 HB1 GLU 82 6.166 -7.390 3.278 643 HG2 GLU 82 HG2 GLU 82 6.472 -8.808 5.186 644 HG3 GLU 82 HG1 GLU 82 6.325 -10.252 4.186 645 H GLY 83 H GLY 83 2.589 -6.768 3.550 646 HA2 GLY 83 HA2 GLY 83 2.325 -6.390 0.637 647 HA3 GLY 83 HA1 GLY 83 1.042 -6.102 1.804 648 H GLN 84 H GLN 84 2.750 -4.508 -0.260 649 HA GLN 84 HA GLN 84 3.173 -2.188 1.506 650 HB2 GLN 84 HB2 GLN 84 4.656 -2.893 -1.032 651 HB3 GLN 84 HB1 GLN 84 4.909 -1.443 -0.072 652 HG2 GLN 84 HG2 GLN 84 5.591 -2.876 1.824 653 HG3 GLN 84 HG1 GLN 84 5.448 -4.279 0.768 654 HE21 GLN 84 HE21 GLN 84 6.949 -4.598 -0.844 655 HE22 GLN 84 HE22 GLN 84 8.451 -3.739 -0.899 656 H LEU 85 H LEU 85 1.786 -0.612 1.142 657 HA LEU 85 HA LEU 85 0.571 -0.365 -1.522 658 HB2 LEU 85 HB2 LEU 85 -0.894 -0.680 0.503 659 HB3 LEU 85 HB1 LEU 85 -0.319 0.861 1.095 660 HG LEU 85 HG LEU 85 -2.619 0.782 -0.038 661 HD11 LEU 85 HD11 LEU 85 -0.612 2.772 -1.068 662 HD12 LEU 85 HD12 LEU 85 -1.411 2.848 0.502 663 HD13 LEU 85 HD13 LEU 85 -2.361 2.982 -0.976 664 HD21 LEU 85 HD21 LEU 85 -2.676 0.925 -2.433 665 HD22 LEU 85 HD22 LEU 85 -1.863 -0.570 -1.976 666 HD23 LEU 85 HD23 LEU 85 -0.920 0.814 -2.526 667 H ILE 86 H ILE 86 1.875 0.917 -2.703 668 HA ILE 86 HA ILE 86 3.131 3.245 -1.439 669 HB ILE 86 HB ILE 86 3.546 2.363 -4.300 670 HG12 ILE 86 HG12 ILE 86 5.793 1.479 -3.252 671 HG13 ILE 86 HG11 ILE 86 4.831 1.353 -1.787 672 HG21 ILE 86 HG21 ILE 86 5.590 3.654 -4.149 673 HG22 ILE 86 HG22 ILE 86 5.283 3.990 -2.445 674 HG23 ILE 86 HG23 ILE 86 4.217 4.660 -3.683 675 HD11 ILE 86 HD11 ILE 86 3.290 -0.152 -2.912 676 HD12 ILE 86 HD12 ILE 86 4.942 -0.760 -2.988 677 HD13 ILE 86 HD13 ILE 86 4.218 0.002 -4.403 678 H SER 87 H SER 87 2.099 5.121 -1.523 679 HA SER 87 HA SER 87 0.074 5.517 -3.603 680 HB2 SER 87 HB2 SER 87 0.621 7.195 -1.161 681 HB3 SER 87 HB1 SER 87 -0.802 7.266 -2.194 682 HG SER 87 HG SER 87 -0.142 4.819 -1.028 683 H ILE 88 H ILE 88 0.581 6.650 -5.342 684 HA ILE 88 HA ILE 88 2.924 8.411 -5.263 685 HB ILE 88 HB ILE 88 1.360 7.556 -7.699 686 HG12 ILE 88 HG12 ILE 88 2.223 5.559 -6.560 687 HG13 ILE 88 HG11 ILE 88 3.083 5.848 -8.065 688 HG21 ILE 88 HG21 ILE 88 3.389 8.176 -8.901 689 HG22 ILE 88 HG22 ILE 88 4.153 8.646 -7.383 690 HG23 ILE 88 HG23 ILE 88 2.752 9.536 -7.978 691 HD11 ILE 88 HD11 ILE 88 4.579 5.146 -6.282 692 HD12 ILE 88 HD12 ILE 88 4.089 6.537 -5.316 693 HD13 ILE 88 HD13 ILE 88 4.956 6.777 -6.832 694 H GLN 89 H GLN 89 2.340 10.404 -4.594 695 HA GLN 89 HA GLN 89 -0.151 11.627 -5.336 696 HB2 GLN 89 HB2 GLN 89 2.341 12.680 -4.009 697 HB3 GLN 89 HB1 GLN 89 0.959 13.701 -4.368 698 HG2 GLN 89 HG2 GLN 89 -0.444 12.276 -2.944 699 HG3 GLN 89 HG1 GLN 89 0.972 11.295 -2.561 700 HE21 GLN 89 HE21 GLN 89 0.738 11.814 -0.348 701 HE22 GLN 89 HE22 GLN 89 1.203 13.367 0.268 702 H GLN 90 H GLN 90 -0.336 13.604 -6.561 703 HA GLN 90 HA GLN 90 0.993 13.475 -9.063 704 HB2 GLN 90 HB2 GLN 90 -0.335 15.349 -9.703 705 HB3 GLN 90 HB1 GLN 90 -1.341 14.343 -8.672 706 HG2 GLN 90 HG2 GLN 90 -1.014 15.836 -6.814 707 HG3 GLN 90 HG1 GLN 90 0.132 16.799 -7.743 708 HE21 GLN 90 HE21 GLN 90 -2.298 17.675 -6.473 709 HE22 GLN 90 HE22 GLN 90 -3.303 18.321 -7.722 710 H TYR 91 H TYR 91 1.903 14.793 -6.120 711 HA TYR 91 HA TYR 91 3.579 16.903 -7.182 712 HB2 TYR 91 HB2 TYR 91 3.292 15.752 -4.397 713 HB3 TYR 91 HB1 TYR 91 4.350 17.096 -4.804 714 HD1 TYR 91 HD1 TYR 91 0.783 16.041 -4.793 715 HD2 TYR 91 HD2 TYR 91 3.534 19.287 -4.819 716 HE1 TYR 91 HE1 TYR 91 -1.070 17.608 -4.402 717 HE2 TYR 91 HE2 TYR 91 1.687 20.862 -4.432 718 HH TYR 91 HH TYR 91 -1.463 19.823 -3.549 719 H GLY 92 H GLY 92 3.779 13.620 -7.120 720 HA2 GLY 92 HA2 GLY 92 5.614 12.291 -7.697 721 HA3 GLY 92 HA1 GLY 92 6.681 13.643 -7.340 722 H HIS 93 H HIS 93 4.661 13.530 -4.821 723 HA HIS 93 HA HIS 93 6.587 12.487 -3.015 724 HB2 HIS 93 HB2 HIS 93 4.894 14.276 -2.497 725 HB3 HIS 93 HB1 HIS 93 3.651 13.036 -2.510 726 HD1 HIS 93 HD1 HIS 93 6.111 14.651 -0.350 727 HD2 HIS 93 HD2 HIS 93 3.942 11.105 -0.346 728 HE1 HIS 93 HE1 HIS 93 6.205 13.803 2.015 729 HE2 HIS 93 HE2 HIS 93 4.886 11.651 2.005 730 H GLN 94 H GLN 94 6.973 10.407 -2.587 731 HA GLN 94 HA GLN 94 4.795 8.464 -3.017 732 HB2 GLN 94 HB2 GLN 94 7.770 7.970 -3.241 733 HB3 GLN 94 HB1 GLN 94 6.496 6.800 -3.551 734 HG2 GLN 94 HG2 GLN 94 5.734 8.103 -5.447 735 HG3 GLN 94 HG1 GLN 94 6.957 9.322 -5.116 736 HE21 GLN 94 HE21 GLN 94 6.567 7.749 -7.512 737 HE22 GLN 94 HE22 GLN 94 8.038 6.884 -7.772 738 H GLU 95 H GLU 95 4.123 7.441 -1.251 739 HA GLU 95 HA GLU 95 6.089 6.844 0.826 740 HB2 GLU 95 HB2 GLU 95 3.632 8.432 1.152 741 HB3 GLU 95 HB1 GLU 95 3.866 7.172 2.359 742 HG2 GLU 95 HG2 GLU 95 6.128 8.067 2.798 743 HG3 GLU 95 HG1 GLU 95 5.805 9.367 1.654 744 H VAL 96 H VAL 96 5.864 4.916 1.835 745 HA VAL 96 HA VAL 96 4.031 3.070 0.466 746 HB VAL 96 HB VAL 96 6.662 2.428 1.803 747 HG11 VAL 96 HG11 VAL 96 5.205 0.524 1.778 748 HG12 VAL 96 HG12 VAL 96 6.452 0.295 0.552 749 HG13 VAL 96 HG13 VAL 96 4.826 0.780 0.076 750 HG21 VAL 96 HG21 VAL 96 7.505 2.138 -0.529 751 HG22 VAL 96 HG22 VAL 96 7.135 3.804 -0.090 752 HG23 VAL 96 HG23 VAL 96 6.018 2.894 -1.107 753 H THR 97 H THR 97 2.351 2.608 1.717 754 HA THR 97 HA THR 97 2.683 2.352 4.603 755 HB THR 97 HB THR 97 0.173 1.998 2.951 756 HG1 THR 97 HG1 THR 97 0.063 4.259 4.257 757 HG21 THR 97 HG21 THR 97 -0.970 2.430 5.078 758 HG22 THR 97 HG22 THR 97 0.591 2.531 5.894 759 HG23 THR 97 HG23 THR 97 0.063 1.006 5.182 760 H ARG 98 H ARG 98 3.437 0.449 5.293 761 HA ARG 98 HA ARG 98 2.943 -1.934 3.672 762 HB2 ARG 98 HB2 ARG 98 4.807 -1.604 6.024 763 HB3 ARG 98 HB1 ARG 98 4.762 -2.952 4.896 764 HG2 ARG 98 HG2 ARG 98 5.434 -1.452 3.084 765 HG3 ARG 98 HG1 ARG 98 5.495 -0.110 4.224 766 HD2 ARG 98 HD2 ARG 98 7.170 -2.613 4.355 767 HD3 ARG 98 HD1 ARG 98 7.716 -1.036 3.787 768 HE ARG 98 HE ARG 98 6.646 -0.935 6.439 769 HH11 ARG 98 HH11 ARG 98 9.493 -1.690 4.556 770 HH12 ARG 98 HH12 ARG 98 10.591 -1.416 5.870 771 HH21 ARG 98 HH21 ARG 98 8.092 -0.554 8.173 772 HH22 ARG 98 HH22 ARG 98 9.795 -0.776 7.927 773 H PHE 99 H PHE 99 1.922 -3.720 4.401 774 HA PHE 99 HA PHE 99 0.928 -3.795 7.145 775 HB2 PHE 99 HB2 PHE 99 -1.376 -4.119 6.480 776 HB3 PHE 99 HB1 PHE 99 -0.803 -2.612 5.779 777 HD1 PHE 99 HD1 PHE 99 -0.074 -2.647 3.328 778 HD2 PHE 99 HD2 PHE 99 -2.315 -5.776 5.147 779 HE1 PHE 99 HE1 PHE 99 -0.801 -3.414 1.107 780 HE2 PHE 99 HE2 PHE 99 -3.040 -6.550 2.929 781 HZ PHE 99 HZ PHE 99 -2.284 -5.369 0.904 782 H ASP 100 H ASP 100 -0.265 -5.943 7.495 783 HA ASP 100 HA ASP 100 0.747 -8.047 5.722 784 HB2 ASP 100 HB2 ASP 100 1.458 -9.422 7.600 785 HB3 ASP 100 HB1 ASP 100 2.305 -7.880 7.643 786 H PHE 101 H PHE 101 -0.403 -10.060 5.928 787 HA PHE 101 HA PHE 101 -2.915 -9.990 7.394 788 HB2 PHE 101 HB2 PHE 101 -3.593 -9.097 5.247 789 HB3 PHE 101 HB1 PHE 101 -2.738 -10.378 4.395 790 HD1 PHE 101 HD1 PHE 101 -3.953 -12.185 3.636 791 HD2 PHE 101 HD2 PHE 101 -5.436 -9.949 6.938 792 HE1 PHE 101 HE1 PHE 101 -5.990 -13.559 3.640 793 HE2 PHE 101 HE2 PHE 101 -7.479 -11.322 6.952 794 HZ PHE 101 HZ PHE 101 -7.755 -13.130 5.302 795 H THR 102 H THR 102 -3.701 -11.998 7.905 796 HA THR 102 HA THR 102 -2.762 -14.413 6.756 797 HB THR 102 HB THR 102 -0.757 -13.902 8.087 798 HG1 THR 102 HG1 THR 102 -1.030 -15.865 9.577 799 HG21 THR 102 HG21 THR 102 -2.623 -13.913 10.463 800 HG22 THR 102 HG22 THR 102 -1.781 -12.506 9.813 801 HG23 THR 102 HG23 THR 102 -0.864 -13.827 10.536 802 H THR 103 H THR 103 -3.507 -16.285 8.313 803 HA THR 103 HA THR 103 -6.085 -15.482 9.494 804 HB THR 103 HB THR 103 -5.626 -18.185 8.244 805 HG1 THR 103 HG1 THR 103 -6.335 -15.734 6.978 806 HG21 THR 103 HG21 THR 103 -8.063 -18.123 7.969 807 HG22 THR 103 HG22 THR 103 -8.106 -16.505 8.671 808 HG23 THR 103 HG23 THR 103 -7.614 -17.882 9.658 809 H THR 104 H THR 104 -3.130 -16.318 10.289 810 HA THR 104 HA THR 104 -3.630 -18.463 12.153 811 HB THR 104 HB THR 104 -1.229 -17.813 12.894 812 HG1 THR 104 HG1 THR 104 -0.448 -16.117 11.914 813 HG21 THR 104 HG21 THR 104 -0.256 -19.046 11.014 814 HG22 THR 104 HG22 THR 104 -1.743 -18.818 10.093 815 HG23 THR 104 HG23 THR 104 -1.756 -19.796 11.559 816 H SER 105 H SER 105 -5.428 -16.995 13.040 817 HA SER 105 HA SER 105 -4.307 -15.506 15.318 818 HB2 SER 105 HB2 SER 105 -5.396 -14.013 13.616 819 HB3 SER 105 HB1 SER 105 -6.910 -14.871 13.898 820 HG SER 105 HG SER 105 -6.834 -14.174 16.066 821 H THR 106 H THR 106 -4.567 -18.056 15.739 822 HA THR 106 HA THR 106 -7.233 -18.750 16.623 823 HB THR 106 HB THR 106 -4.666 -20.315 16.959 824 HG1 THR 106 HG1 THR 106 -6.623 -20.317 14.878 825 HG21 THR 106 HG21 THR 106 -7.558 -21.189 17.021 826 HG22 THR 106 HG22 THR 106 -6.498 -21.043 18.422 827 HG23 THR 106 HG23 THR 106 -6.152 -22.244 17.180 828 H SER 107 H SER 107 -4.038 -18.220 18.122 829 HA SER 107 HA SER 107 -5.178 -18.326 20.769 830 HB2 SER 107 HB2 SER 107 -2.872 -19.123 20.342 831 HB3 SER 107 HB1 SER 107 -2.401 -17.485 19.894 832 HG SER 107 HG SER 107 -2.382 -16.916 21.935 833 H THR 108 H THR 108 -4.045 -15.882 18.506 834 HA THR 108 HA THR 108 -4.494 -13.703 20.304 835 HB THR 108 HB THR 108 -4.246 -12.304 18.213 836 HG1 THR 108 HG1 THR 108 -4.847 -13.681 16.586 837 HG21 THR 108 HG21 THR 108 -1.851 -12.757 17.970 838 HG22 THR 108 HG22 THR 108 -2.061 -14.310 18.778 839 HG23 THR 108 HG23 THR 108 -2.339 -12.812 19.664 840 HA PRO 109 HA PRO 109 -8.930 -13.540 19.811 841 HB2 PRO 109 HB2 PRO 109 -8.579 -10.728 20.666 842 HB3 PRO 109 HB1 PRO 109 -9.565 -12.005 21.384 843 HG2 PRO 109 HG2 PRO 109 -7.315 -11.177 22.557 844 HG3 PRO 109 HG1 PRO 109 -7.793 -12.885 22.577 845 HD2 PRO 109 HD2 PRO 109 -5.743 -11.510 20.886 846 HD3 PRO 109 HD1 PRO 109 -5.682 -13.106 21.662 847 H GLY 110 H GLY 110 -9.623 -13.448 17.762 848 HA2 GLY 110 HA2 GLY 110 -8.720 -11.430 15.916 849 HA3 GLY 110 HA1 GLY 110 -9.897 -12.694 15.590 850 H SER 111 H SER 111 -10.512 -10.865 18.385 851 HA SER 111 HA SER 111 -12.889 -9.755 17.219 852 HB2 SER 111 HB2 SER 111 -13.194 -8.876 19.594 853 HB3 SER 111 HB1 SER 111 -13.127 -10.630 19.413 854 HG SER 111 HG SER 111 -11.800 -9.958 21.122 855 H ARG 112 H ARG 112 -9.766 -8.752 17.150 856 HA ARG 112 HA ARG 112 -10.252 -5.931 17.593 857 HB2 ARG 112 HB2 ARG 112 -7.935 -5.587 17.003 858 HB3 ARG 112 HB1 ARG 112 -8.045 -6.936 18.120 859 HG2 ARG 112 HG2 ARG 112 -7.687 -8.513 16.363 860 HG3 ARG 112 HG1 ARG 112 -7.820 -7.252 15.135 861 HD2 ARG 112 HD2 ARG 112 -5.808 -6.173 16.051 862 HD3 ARG 112 HD1 ARG 112 -5.668 -7.465 17.241 863 HE ARG 112 HE ARG 112 -5.687 -8.804 14.894 864 HH11 ARG 112 HH11 ARG 112 -3.785 -6.107 16.088 865 HH12 ARG 112 HH12 ARG 112 -2.392 -6.510 15.137 866 HH21 ARG 112 HH21 ARG 112 -3.849 -9.325 13.640 867 HH22 ARG 112 HH22 ARG 112 -2.427 -8.339 13.749 868 H SER 113 H SER 113 -11.491 -7.727 15.416 869 HA SER 113 HA SER 113 -10.685 -6.430 12.967 870 HB2 SER 113 HB2 SER 113 -12.712 -7.858 12.128 871 HB3 SER 113 HB1 SER 113 -11.223 -8.669 12.613 872 HG SER 113 HG SER 113 -12.245 -9.575 14.212 873 H HIS 114 H HIS 114 -11.427 -4.448 14.540 874 HA HIS 114 HA HIS 114 -14.053 -3.643 13.480 875 HB2 HIS 114 HB2 HIS 114 -12.893 -3.019 16.203 876 HB3 HIS 114 HB1 HIS 114 -14.317 -2.228 15.539 877 HD1 HIS 114 HD1 HIS 114 -13.605 -4.648 17.901 878 HD2 HIS 114 HD2 HIS 114 -16.197 -4.573 14.654 879 HE1 HIS 114 HE1 HIS 114 -15.325 -6.418 18.370 880 HE2 HIS 114 HE2 HIS 114 -16.992 -6.206 16.494 881 H HIS 115 H HIS 115 -11.795 -3.233 12.048 882 HA HIS 115 HA HIS 115 -10.972 -0.471 12.617 883 HB2 HIS 115 HB2 HIS 115 -9.327 -2.493 12.230 884 HB3 HIS 115 HB1 HIS 115 -9.662 -2.178 10.531 885 HD1 HIS 115 HD1 HIS 115 -7.677 -0.997 13.386 886 HD2 HIS 115 HD2 HIS 115 -8.824 0.452 9.660 887 HE1 HIS 115 HE1 HIS 115 -6.159 0.952 12.917 888 HE2 HIS 115 HE2 HIS 115 -6.979 1.905 10.739 889 H HIS 116 H HIS 116 -13.541 -1.106 11.488 890 HA HIS 116 HA HIS 116 -13.258 -0.161 8.720 891 HB2 HIS 116 HB2 HIS 116 -15.604 -1.413 10.154 892 HB3 HIS 116 HB1 HIS 116 -15.691 -0.756 8.527 893 HD1 HIS 116 HD1 HIS 116 -15.226 -3.844 10.233 894 HD2 HIS 116 HD2 HIS 116 -13.669 -2.146 6.774 895 HE1 HIS 116 HE1 HIS 116 -14.338 -5.763 8.880 896 HE2 HIS 116 HE2 HIS 116 -13.560 -4.733 6.713 897 H HIS 117 H HIS 117 -14.261 0.790 11.865 898 HA HIS 117 HA HIS 117 -15.555 3.196 10.764 899 HB2 HIS 117 HB2 HIS 117 -15.803 1.952 13.507 900 HB3 HIS 117 HB1 HIS 117 -16.530 3.481 13.043 901 HD1 HIS 117 HD1 HIS 117 -17.891 0.631 13.912 902 HD2 HIS 117 HD2 HIS 117 -17.835 2.442 10.169 903 HE1 HIS 117 HE1 HIS 117 -19.889 -0.276 12.693 904 HE2 HIS 117 HE2 HIS 117 -19.796 0.768 10.403 905 H HIS 118 H HIS 118 -14.271 4.936 10.744 906 HA HIS 118 HA HIS 118 -12.158 5.219 12.717 907 HB2 HIS 118 HB2 HIS 118 -13.029 6.881 10.365 908 HB3 HIS 118 HB1 HIS 118 -11.895 7.511 11.550 909 HD1 HIS 118 HD1 HIS 118 -11.787 6.143 8.367 910 HD2 HIS 118 HD2 HIS 118 -9.736 5.269 11.875 911 HE1 HIS 118 HE1 HIS 118 -9.680 4.981 7.645 912 HE2 HIS 118 HE2 HIS 118 -8.533 4.326 9.790 913 H HIS 119 H HIS 119 -15.414 6.167 12.221 914 HA HIS 119 HA HIS 119 -15.296 7.730 14.715 915 HB2 HIS 119 HB2 HIS 119 -17.157 8.039 12.350 916 HB3 HIS 119 HB1 HIS 119 -17.445 8.799 13.911 917 HD1 HIS 119 HD1 HIS 119 -16.092 9.557 10.729 918 HD2 HIS 119 HD2 HIS 119 -14.997 10.453 14.639 919 HE1 HIS 119 HE1 HIS 119 -14.588 11.567 10.570 920 HE2 HIS 119 HE2 HIS 119 -13.807 11.980 12.928 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 15.768 15.842 2.754 2 H2 GLY 1 HT2 GLY 1 15.574 17.519 2.788 3 H3 GLY 1 HT3 GLY 1 14.641 16.583 1.736 4 HA2 GLY 1 HA1 GLY 1 13.537 15.527 3.600 5 HA3 GLY 1 HA2 GLY 1 14.518 16.487 4.697 6 H SER 2 H SER 2 12.318 16.914 1.927 7 HA SER 2 HA SER 2 11.039 19.092 3.413 8 HB2 SER 2 HB2 SER 2 10.838 20.348 1.230 9 HB3 SER 2 HB1 SER 2 12.472 20.244 1.886 10 HG SER 2 HG SER 2 11.650 19.496 -0.499 11 H GLN 3 H GLN 3 10.785 16.335 1.416 12 HA GLN 3 HA GLN 3 8.151 16.941 0.424 13 HB2 GLN 3 HB2 GLN 3 9.771 14.393 0.310 14 HB3 GLN 3 HB1 GLN 3 8.224 14.634 -0.491 15 HG2 GLN 3 HG2 GLN 3 9.230 16.505 -1.762 16 HG3 GLN 3 HG1 GLN 3 10.785 16.116 -1.032 17 HE21 GLN 3 HE21 GLN 3 11.735 15.645 -2.997 18 HE22 GLN 3 HE22 GLN 3 11.345 14.226 -3.905 19 H THR 4 H THR 4 9.474 15.396 3.214 20 HA THR 4 HA THR 4 7.068 13.879 3.750 21 HB THR 4 HB THR 4 8.342 13.423 5.967 22 HG1 THR 4 HG1 THR 4 9.894 15.119 5.650 23 HG21 THR 4 HG21 THR 4 8.055 11.768 4.200 24 HG22 THR 4 HG22 THR 4 9.688 11.684 4.861 25 HG23 THR 4 HG23 THR 4 9.405 12.468 3.307 26 H THR 5 H THR 5 6.605 16.658 3.599 27 HA THR 5 HA THR 5 6.384 17.757 6.230 28 HB THR 5 HB THR 5 4.785 19.368 4.987 29 HG1 THR 5 HG1 THR 5 5.210 19.277 2.659 30 HG21 THR 5 HG21 THR 5 6.672 20.565 3.970 31 HG22 THR 5 HG22 THR 5 7.665 19.114 4.110 32 HG23 THR 5 HG23 THR 5 7.094 19.936 5.562 33 H ALA 6 H ALA 6 3.768 17.121 3.915 34 HA ALA 6 HA ALA 6 2.277 15.758 6.063 35 HB1 ALA 6 HB1 ALA 6 1.097 17.614 3.995 36 HB2 ALA 6 HB2 ALA 6 1.351 18.008 5.695 37 HB3 ALA 6 HB3 ALA 6 0.208 16.743 5.244 38 HA PRO 7 HA PRO 7 2.917 13.025 2.386 39 HB2 PRO 7 HB2 PRO 7 2.969 10.930 4.449 40 HB3 PRO 7 HB1 PRO 7 4.163 11.311 3.206 41 HG2 PRO 7 HG2 PRO 7 4.622 11.824 5.799 42 HG3 PRO 7 HG1 PRO 7 5.220 12.892 4.515 43 HD2 PRO 7 HD2 PRO 7 2.827 13.222 6.291 44 HD3 PRO 7 HD1 PRO 7 4.031 14.428 5.789 45 H ASP 8 H ASP 8 1.423 11.836 1.316 46 HA ASP 8 HA ASP 8 -1.199 11.571 2.555 47 HB2 ASP 8 HB2 ASP 8 -0.195 11.428 -0.270 48 HB3 ASP 8 HB1 ASP 8 -1.758 10.730 0.139 49 H ALA 9 H ALA 9 0.304 9.929 3.866 50 HA ALA 9 HA ALA 9 0.190 7.277 2.649 51 HB1 ALA 9 HB1 ALA 9 1.358 8.143 5.289 52 HB2 ALA 9 HB2 ALA 9 2.258 7.931 3.789 53 HB3 ALA 9 HB3 ALA 9 1.497 6.543 4.564 54 HA PRO 10 HA PRO 10 -3.816 6.549 4.552 55 HB2 PRO 10 HB2 PRO 10 -2.896 3.764 3.994 56 HB3 PRO 10 HB1 PRO 10 -4.442 4.532 3.618 57 HG2 PRO 10 HG2 PRO 10 -2.653 4.131 1.701 58 HG3 PRO 10 HG1 PRO 10 -3.590 5.637 1.757 59 HD2 PRO 10 HD2 PRO 10 -0.754 5.150 2.534 60 HD3 PRO 10 HD1 PRO 10 -1.469 6.549 1.752 61 HA PRO 11 HA PRO 11 -2.407 5.903 8.682 62 HB2 PRO 11 HB2 PRO 11 -4.862 5.264 9.769 63 HB3 PRO 11 HB1 PRO 11 -4.291 6.907 9.468 64 HG2 PRO 11 HG2 PRO 11 -6.112 5.202 7.825 65 HG3 PRO 11 HG1 PRO 11 -6.210 6.937 8.178 66 HD2 PRO 11 HD2 PRO 11 -5.307 6.032 5.823 67 HD3 PRO 11 HD1 PRO 11 -4.617 7.478 6.588 68 H ASP 12 H ASP 12 -4.535 3.480 7.207 69 HA ASP 12 HA ASP 12 -2.835 1.338 7.950 70 HB2 ASP 12 HB2 ASP 12 -3.863 1.736 10.162 71 HB3 ASP 12 HB1 ASP 12 -5.458 1.517 9.450 72 HA PRO 13 HA PRO 13 -5.358 -0.096 4.476 73 HB2 PRO 13 HB2 PRO 13 -3.293 -2.192 4.400 74 HB3 PRO 13 HB1 PRO 13 -3.785 -1.062 3.134 75 HG2 PRO 13 HG2 PRO 13 -1.418 -0.833 4.378 76 HG3 PRO 13 HG1 PRO 13 -2.345 0.592 3.865 77 HD2 PRO 13 HD2 PRO 13 -2.116 -0.637 6.591 78 HD3 PRO 13 HD1 PRO 13 -2.068 1.076 6.124 79 H THR 14 H THR 14 -7.105 -1.174 5.045 80 HA THR 14 HA THR 14 -6.922 -3.277 7.081 81 HB THR 14 HB THR 14 -9.429 -1.973 6.021 82 HG1 THR 14 HG1 THR 14 -7.546 -0.704 7.258 83 HG21 THR 14 HG21 THR 14 -8.817 -3.398 8.614 84 HG22 THR 14 HG22 THR 14 -9.742 -4.059 7.266 85 HG23 THR 14 HG23 THR 14 -10.366 -2.681 8.173 86 H VAL 15 H VAL 15 -7.352 -5.357 6.590 87 HA VAL 15 HA VAL 15 -8.261 -5.960 3.877 88 HB VAL 15 HB VAL 15 -7.036 -7.740 5.993 89 HG11 VAL 15 HG11 VAL 15 -6.994 -9.477 4.235 90 HG12 VAL 15 HG12 VAL 15 -7.960 -8.421 3.204 91 HG13 VAL 15 HG13 VAL 15 -8.633 -9.034 4.714 92 HG21 VAL 15 HG21 VAL 15 -5.164 -7.877 4.403 93 HG22 VAL 15 HG22 VAL 15 -5.450 -6.221 4.936 94 HG23 VAL 15 HG23 VAL 15 -5.992 -6.742 3.339 95 H ASP 16 H ASP 16 -10.336 -6.279 3.569 96 HA ASP 16 HA ASP 16 -11.959 -7.302 5.809 97 HB2 ASP 16 HB2 ASP 16 -12.237 -4.835 5.338 98 HB3 ASP 16 HB1 ASP 16 -12.867 -5.275 3.753 99 H GLN 17 H GLN 17 -13.868 -8.480 5.189 100 HA GLN 17 HA GLN 17 -14.838 -10.234 4.122 101 HB2 GLN 17 HB2 GLN 17 -14.670 -8.053 2.163 102 HB3 GLN 17 HB1 GLN 17 -14.938 -9.627 1.468 103 HG2 GLN 17 HG2 GLN 17 -17.042 -8.541 1.844 104 HG3 GLN 17 HG1 GLN 17 -16.893 -9.929 2.919 105 HE21 GLN 17 HE21 GLN 17 -17.003 -6.486 2.684 106 HE22 GLN 17 HE22 GLN 17 -17.185 -6.163 4.372 107 H VAL 18 H VAL 18 -12.864 -11.511 4.630 108 HA VAL 18 HA VAL 18 -11.139 -12.096 2.383 109 HB VAL 18 HB VAL 18 -10.062 -13.744 3.844 110 HG11 VAL 18 HG11 VAL 18 -9.205 -12.191 5.542 111 HG12 VAL 18 HG12 VAL 18 -10.526 -11.081 5.180 112 HG13 VAL 18 HG13 VAL 18 -9.314 -11.437 3.951 113 HG21 VAL 18 HG21 VAL 18 -10.740 -14.011 6.176 114 HG22 VAL 18 HG22 VAL 18 -12.030 -14.510 5.080 115 HG23 VAL 18 HG23 VAL 18 -12.123 -12.953 5.900 116 H ASP 19 H ASP 19 -11.277 -13.784 1.032 117 HA ASP 19 HA ASP 19 -13.522 -15.662 1.405 118 HB2 ASP 19 HB2 ASP 19 -11.984 -15.057 -1.135 119 HB3 ASP 19 HB1 ASP 19 -13.399 -16.093 -0.994 120 H ASP 20 H ASP 20 -12.697 -17.715 -0.225 121 HA ASP 20 HA ASP 20 -10.865 -19.065 1.459 122 HB2 ASP 20 HB2 ASP 20 -11.044 -20.918 -0.081 123 HB3 ASP 20 HB1 ASP 20 -12.638 -20.205 0.124 124 H THR 21 H THR 21 -10.531 -17.373 -1.612 125 HA THR 21 HA THR 21 -7.625 -17.581 -1.348 126 HB THR 21 HB THR 21 -7.639 -17.890 -3.946 127 HG1 THR 21 HG1 THR 21 -10.050 -19.270 -3.287 128 HG21 THR 21 HG21 THR 21 -7.541 -20.332 -3.651 129 HG22 THR 21 HG22 THR 21 -8.243 -20.152 -2.043 130 HG23 THR 21 HG23 THR 21 -6.650 -19.474 -2.391 131 H SER 22 H SER 22 -9.560 -15.366 -0.976 132 HA SER 22 HA SER 22 -8.137 -13.406 -2.518 133 HB2 SER 22 HB2 SER 22 -10.262 -12.412 -3.482 134 HB3 SER 22 HB1 SER 22 -9.729 -13.924 -4.217 135 HG SER 22 HG SER 22 -11.828 -13.520 -2.346 136 H ILE 23 H ILE 23 -8.635 -11.203 -1.868 137 HA ILE 23 HA ILE 23 -10.255 -10.930 0.567 138 HB ILE 23 HB ILE 23 -8.566 -9.634 1.715 139 HG12 ILE 23 HG12 ILE 23 -6.562 -10.319 -0.421 140 HG13 ILE 23 HG11 ILE 23 -7.546 -8.863 -0.534 141 HG21 ILE 23 HG21 ILE 23 -8.526 -12.028 2.126 142 HG22 ILE 23 HG22 ILE 23 -6.897 -11.359 2.202 143 HG23 ILE 23 HG23 ILE 23 -7.417 -12.255 0.776 144 HD11 ILE 23 HD11 ILE 23 -6.651 -8.301 1.787 145 HD12 ILE 23 HD12 ILE 23 -5.554 -8.151 0.418 146 HD13 ILE 23 HD13 ILE 23 -5.447 -9.556 1.484 147 H VAL 24 H VAL 24 -10.690 -8.639 1.085 148 HA VAL 24 HA VAL 24 -10.310 -6.841 -1.218 149 HB VAL 24 HB VAL 24 -12.324 -6.554 1.025 150 HG11 VAL 24 HG11 VAL 24 -13.308 -4.817 -0.388 151 HG12 VAL 24 HG12 VAL 24 -12.018 -5.046 -1.569 152 HG13 VAL 24 HG13 VAL 24 -11.641 -4.429 0.040 153 HG21 VAL 24 HG21 VAL 24 -12.748 -7.476 -1.815 154 HG22 VAL 24 HG22 VAL 24 -14.019 -7.161 -0.634 155 HG23 VAL 24 HG23 VAL 24 -12.872 -8.475 -0.368 156 H VAL 25 H VAL 25 -8.477 -5.744 -0.853 157 HA VAL 25 HA VAL 25 -7.839 -4.897 1.869 158 HB VAL 25 HB VAL 25 -5.979 -5.936 0.809 159 HG11 VAL 25 HG11 VAL 25 -5.024 -5.091 -1.323 160 HG12 VAL 25 HG12 VAL 25 -6.472 -4.103 -1.522 161 HG13 VAL 25 HG13 VAL 25 -6.601 -5.863 -1.477 162 HG21 VAL 25 HG21 VAL 25 -5.375 -3.985 2.112 163 HG22 VAL 25 HG22 VAL 25 -5.565 -2.954 0.693 164 HG23 VAL 25 HG23 VAL 25 -4.288 -4.173 0.734 165 H ARG 26 H ARG 26 -8.209 -2.927 2.551 166 HA ARG 26 HA ARG 26 -8.887 -0.842 0.574 167 HB2 ARG 26 HB2 ARG 26 -10.227 -1.335 3.245 168 HB3 ARG 26 HB1 ARG 26 -10.666 -0.101 2.070 169 HG2 ARG 26 HG2 ARG 26 -11.488 -1.698 0.548 170 HG3 ARG 26 HG1 ARG 26 -10.749 -3.032 1.433 171 HD2 ARG 26 HD2 ARG 26 -13.151 -2.946 1.817 172 HD3 ARG 26 HD1 ARG 26 -12.258 -2.638 3.304 173 HE ARG 26 HE ARG 26 -12.725 -0.152 2.429 174 HH11 ARG 26 HH11 ARG 26 -14.827 -2.925 2.734 175 HH12 ARG 26 HH12 ARG 26 -16.241 -1.980 3.074 176 HH21 ARG 26 HH21 ARG 26 -14.582 1.101 2.874 177 HH22 ARG 26 HH22 ARG 26 -16.102 0.306 3.159 178 H TRP 27 H TRP 27 -8.078 1.185 0.980 179 HA TRP 27 HA TRP 27 -6.660 1.528 3.529 180 HB2 TRP 27 HB2 TRP 27 -5.033 2.997 2.194 181 HB3 TRP 27 HB1 TRP 27 -4.880 1.253 2.027 182 HD1 TRP 27 HD1 TRP 27 -5.827 4.383 0.057 183 HE1 TRP 27 HE1 TRP 27 -5.924 3.783 -2.446 184 HE3 TRP 27 HE3 TRP 27 -5.342 -0.691 0.416 185 HZ2 TRP 27 HZ2 TRP 27 -5.800 1.466 -4.054 186 HZ3 TRP 27 HZ3 TRP 27 -5.339 -2.026 -1.649 187 HH2 TRP 27 HH2 TRP 27 -5.562 -0.968 -3.836 188 H SER 28 H SER 28 -7.296 3.182 4.665 189 HA SER 28 HA SER 28 -9.331 4.927 3.760 190 HB2 SER 28 HB2 SER 28 -7.590 5.228 6.213 191 HB3 SER 28 HB1 SER 28 -9.199 5.903 5.959 192 HG SER 28 HG SER 28 -9.604 4.101 7.089 193 H ARG 29 H ARG 29 -9.244 6.974 3.037 194 HA ARG 29 HA ARG 29 -6.839 7.977 1.938 195 HB2 ARG 29 HB2 ARG 29 -9.566 9.191 2.342 196 HB3 ARG 29 HB1 ARG 29 -8.252 10.063 1.575 197 HG2 ARG 29 HG2 ARG 29 -9.364 7.442 0.605 198 HG3 ARG 29 HG1 ARG 29 -9.815 9.028 -0.028 199 HD2 ARG 29 HD2 ARG 29 -7.418 9.408 -0.585 200 HD3 ARG 29 HD1 ARG 29 -7.085 7.750 -0.100 201 HE ARG 29 HE ARG 29 -8.812 7.183 -1.905 202 HH11 ARG 29 HH11 ARG 29 -6.662 9.942 -2.062 203 HH12 ARG 29 HH12 ARG 29 -6.597 9.960 -3.793 204 HH21 ARG 29 HH21 ARG 29 -8.725 7.192 -4.179 205 HH22 ARG 29 HH22 ARG 29 -7.762 8.384 -5.005 206 HA PRO 30 HA PRO 30 -5.212 10.007 5.547 207 HB2 PRO 30 HB2 PRO 30 -3.362 11.539 4.255 208 HB3 PRO 30 HB1 PRO 30 -3.135 9.820 4.590 209 HG2 PRO 30 HG2 PRO 30 -4.018 11.158 2.064 210 HG3 PRO 30 HG1 PRO 30 -2.886 9.811 2.281 211 HD2 PRO 30 HD2 PRO 30 -5.442 9.435 1.502 212 HD3 PRO 30 HD1 PRO 30 -4.580 8.262 2.506 213 H1 MET 31 HT1 MET 31 4.436 26.455 -9.629 214 H2 MET 31 HT2 MET 31 4.859 27.757 -8.638 215 H3 MET 31 HT3 MET 31 5.874 26.409 -8.739 216 HA MET 31 HA MET 31 5.245 28.248 -10.968 217 HB2 MET 31 HB2 MET 31 7.674 27.999 -9.196 218 HB3 MET 31 HB1 MET 31 7.719 28.797 -10.760 219 HG2 MET 31 HG2 MET 31 5.944 29.590 -8.467 220 HG3 MET 31 HG1 MET 31 7.472 30.362 -8.885 221 HE1 MET 31 HE1 MET 31 4.809 33.036 -9.949 222 HE2 MET 31 HE2 MET 31 6.215 32.696 -8.942 223 HE3 MET 31 HE3 MET 31 4.669 31.929 -8.585 224 H ARG 32 H ARG 32 5.252 27.153 -12.781 225 HA ARG 32 HA ARG 32 7.511 25.661 -13.631 226 HB2 ARG 32 HB2 ARG 32 6.370 23.953 -12.184 227 HB3 ARG 32 HB1 ARG 32 4.969 24.061 -13.242 228 HG2 ARG 32 HG2 ARG 32 6.375 23.327 -15.129 229 HG3 ARG 32 HG1 ARG 32 7.728 23.140 -14.013 230 HD2 ARG 32 HD2 ARG 32 6.464 21.478 -12.751 231 HD3 ARG 32 HD1 ARG 32 5.098 21.676 -13.849 232 HE ARG 32 HE ARG 32 7.615 20.924 -15.079 233 HH11 ARG 32 HH11 ARG 32 4.553 19.829 -13.769 234 HH12 ARG 32 HH12 ARG 32 4.581 18.329 -14.640 235 HH21 ARG 32 HH21 ARG 32 7.653 18.959 -16.214 236 HH22 ARG 32 HH22 ARG 32 6.343 17.832 -16.031 237 H GLY 33 H GLY 33 6.801 27.712 -14.887 238 HA2 GLY 33 HA2 GLY 33 6.267 28.425 -17.029 239 HA3 GLY 33 HA1 GLY 33 5.633 26.820 -17.369 240 H SER 34 H SER 34 3.502 26.296 -16.542 241 HA SER 34 HA SER 34 1.731 28.606 -16.561 242 HB2 SER 34 HB2 SER 34 1.211 26.587 -17.949 243 HB3 SER 34 HB1 SER 34 1.034 25.655 -16.464 244 HG SER 34 HG SER 34 -0.557 27.804 -17.403 245 H ASN 35 H ASN 35 0.618 29.317 -14.790 246 HA ASN 35 HA ASN 35 1.525 28.276 -12.236 247 HB2 ASN 35 HB2 ASN 35 -0.050 30.734 -12.994 248 HB3 ASN 35 HB1 ASN 35 0.257 30.272 -11.322 249 HD21 ASN 35 HD21 ASN 35 2.340 30.400 -10.504 250 HD22 ASN 35 HD22 ASN 35 3.589 31.284 -11.307 251 H ALA 36 H ALA 36 0.163 26.315 -13.095 252 HA ALA 36 HA ALA 36 -2.591 26.515 -12.133 253 HB1 ALA 36 HB1 ALA 36 -1.168 24.216 -13.475 254 HB2 ALA 36 HB2 ALA 36 -2.213 25.385 -14.278 255 HB3 ALA 36 HB3 ALA 36 -2.884 24.284 -13.076 256 HA PRO 37 HA PRO 37 -0.768 24.904 -8.322 257 HB2 PRO 37 HB2 PRO 37 -2.803 25.584 -6.700 258 HB3 PRO 37 HB1 PRO 37 -1.622 26.770 -7.268 259 HG2 PRO 37 HG2 PRO 37 -4.394 26.230 -8.251 260 HG3 PRO 37 HG1 PRO 37 -3.572 27.784 -8.015 261 HD2 PRO 37 HD2 PRO 37 -3.844 26.552 -10.450 262 HD3 PRO 37 HD1 PRO 37 -2.530 27.675 -10.052 263 H GLN 38 H GLN 38 -1.356 22.929 -9.764 264 HA GLN 38 HA GLN 38 -3.756 21.521 -9.320 265 HB2 GLN 38 HB2 GLN 38 -1.044 20.449 -10.111 266 HB3 GLN 38 HB1 GLN 38 -2.583 19.629 -10.329 267 HG2 GLN 38 HG2 GLN 38 -1.744 22.196 -11.659 268 HG3 GLN 38 HG1 GLN 38 -1.785 20.600 -12.408 269 HE21 GLN 38 HE21 GLN 38 -3.766 19.655 -12.873 270 HE22 GLN 38 HE22 GLN 38 -5.222 20.582 -12.963 271 HA PRO 39 HA PRO 39 -3.118 20.164 -5.186 272 HB2 PRO 39 HB2 PRO 39 -4.961 18.172 -5.125 273 HB3 PRO 39 HB1 PRO 39 -5.396 19.884 -5.105 274 HG2 PRO 39 HG2 PRO 39 -5.357 17.967 -7.407 275 HG3 PRO 39 HG1 PRO 39 -6.587 19.168 -6.974 276 HD2 PRO 39 HD2 PRO 39 -4.761 19.621 -8.902 277 HD3 PRO 39 HD1 PRO 39 -5.372 20.920 -7.857 278 H SER 40 H SER 40 -2.323 18.439 -3.954 279 HA SER 40 HA SER 40 -0.546 16.675 -5.343 280 HB2 SER 40 HB2 SER 40 -1.219 16.854 -2.396 281 HB3 SER 40 HB1 SER 40 0.152 15.992 -3.091 282 HG SER 40 HG SER 40 0.956 17.931 -2.500 283 H HIS 41 H HIS 41 -2.622 15.791 -6.436 284 HA HIS 41 HA HIS 41 -4.053 13.821 -4.872 285 HB2 HIS 41 HB2 HIS 41 -5.394 13.450 -6.838 286 HB3 HIS 41 HB1 HIS 41 -5.177 15.184 -6.645 287 HD1 HIS 41 HD1 HIS 41 -5.242 12.760 -9.186 288 HD2 HIS 41 HD2 HIS 41 -2.773 16.010 -8.390 289 HE1 HIS 41 HE1 HIS 41 -4.139 13.324 -11.373 290 HE2 HIS 41 HE2 HIS 41 -2.585 15.237 -10.854 291 H ILE 42 H ILE 42 -3.983 11.604 -5.155 292 HA ILE 42 HA ILE 42 -1.465 10.535 -6.059 293 HB ILE 42 HB ILE 42 -3.907 9.206 -4.873 294 HG12 ILE 42 HG12 ILE 42 -2.223 8.670 -3.037 295 HG13 ILE 42 HG11 ILE 42 -1.143 9.818 -3.816 296 HG21 ILE 42 HG21 ILE 42 -1.301 7.920 -5.672 297 HG22 ILE 42 HG22 ILE 42 -2.869 7.660 -6.435 298 HG23 ILE 42 HG23 ILE 42 -2.602 7.139 -4.772 299 HD11 ILE 42 HD11 ILE 42 -3.854 10.429 -2.666 300 HD12 ILE 42 HD12 ILE 42 -2.791 11.588 -3.463 301 HD13 ILE 42 HD13 ILE 42 -2.293 10.832 -1.949 302 H SER 43 H SER 43 -1.059 9.806 -8.025 303 HA SER 43 HA SER 43 -3.120 9.797 -10.026 304 HB2 SER 43 HB2 SER 43 -0.202 9.007 -10.227 305 HB3 SER 43 HB1 SER 43 -1.289 9.312 -11.582 306 HG SER 43 HG SER 43 -1.384 11.451 -11.029 307 H LYS 44 H LYS 44 -1.215 7.385 -8.290 308 HA LYS 44 HA LYS 44 -3.170 5.376 -8.841 309 HB2 LYS 44 HB2 LYS 44 -1.657 3.787 -9.971 310 HB3 LYS 44 HB1 LYS 44 -1.978 5.215 -10.941 311 HG2 LYS 44 HG2 LYS 44 0.212 6.135 -10.204 312 HG3 LYS 44 HG1 LYS 44 0.529 4.599 -9.390 313 HD2 LYS 44 HD2 LYS 44 0.378 3.415 -11.498 314 HD3 LYS 44 HD1 LYS 44 -0.055 4.907 -12.335 315 HE2 LYS 44 HE2 LYS 44 2.249 4.508 -12.756 316 HE3 LYS 44 HE1 LYS 44 2.151 5.841 -11.611 317 HZ1 LYS 44 HZ1 LYS 44 3.873 4.267 -11.005 318 HZ2 LYS 44 HZ2 LYS 44 2.740 3.016 -10.916 319 HZ3 LYS 44 HZ3 LYS 44 2.663 4.304 -9.826 320 H TYR 45 H TYR 45 -3.028 3.622 -7.498 321 HA TYR 45 HA TYR 45 -0.972 3.762 -5.398 322 HB2 TYR 45 HB2 TYR 45 -3.691 2.442 -5.461 323 HB3 TYR 45 HB1 TYR 45 -2.530 2.197 -4.166 324 HD1 TYR 45 HD1 TYR 45 -5.039 4.407 -5.559 325 HD2 TYR 45 HD2 TYR 45 -1.907 4.096 -2.697 326 HE1 TYR 45 HE1 TYR 45 -5.927 6.373 -4.379 327 HE2 TYR 45 HE2 TYR 45 -2.786 6.062 -1.511 328 HH TYR 45 HH TYR 45 -5.862 7.353 -2.143 329 H ILE 46 H ILE 46 0.386 2.066 -5.048 330 HA ILE 46 HA ILE 46 0.119 -0.208 -6.903 331 HB ILE 46 HB ILE 46 2.583 1.136 -5.808 332 HG12 ILE 46 HG12 ILE 46 3.219 0.980 -8.277 333 HG13 ILE 46 HG11 ILE 46 1.553 0.505 -8.573 334 HG21 ILE 46 HG21 ILE 46 3.920 -0.678 -6.814 335 HG22 ILE 46 HG22 ILE 46 2.432 -1.584 -7.089 336 HG23 ILE 46 HG23 ILE 46 2.947 -1.212 -5.444 337 HD11 ILE 46 HD11 ILE 46 1.870 2.861 -9.014 338 HD12 ILE 46 HD12 ILE 46 2.472 3.106 -7.375 339 HD13 ILE 46 HD13 ILE 46 0.794 2.635 -7.634 340 H LEU 47 H LEU 47 -0.511 -1.997 -5.969 341 HA LEU 47 HA LEU 47 0.007 -2.447 -3.114 342 HB2 LEU 47 HB2 LEU 47 -2.287 -2.746 -4.418 343 HB3 LEU 47 HB1 LEU 47 -1.598 -4.297 -4.842 344 HG LEU 47 HG LEU 47 -3.081 -4.555 -2.961 345 HD11 LEU 47 HD11 LEU 47 -0.201 -4.812 -2.140 346 HD12 LEU 47 HD12 LEU 47 -1.210 -6.032 -2.920 347 HD13 LEU 47 HD13 LEU 47 -1.564 -5.517 -1.272 348 HD21 LEU 47 HD21 LEU 47 -2.714 -3.447 -0.831 349 HD22 LEU 47 HD22 LEU 47 -3.001 -2.273 -2.116 350 HD23 LEU 47 HD23 LEU 47 -1.363 -2.545 -1.520 351 H ARG 48 H ARG 48 1.755 -3.613 -2.609 352 HA ARG 48 HA ARG 48 2.600 -5.737 -4.477 353 HB2 ARG 48 HB2 ARG 48 4.391 -3.994 -2.771 354 HB3 ARG 48 HB1 ARG 48 4.928 -5.330 -3.778 355 HG2 ARG 48 HG2 ARG 48 4.098 -4.136 -5.761 356 HG3 ARG 48 HG1 ARG 48 3.647 -2.783 -4.725 357 HD2 ARG 48 HD2 ARG 48 6.418 -3.851 -5.232 358 HD3 ARG 48 HD1 ARG 48 5.759 -2.298 -5.745 359 HE ARG 48 HE ARG 48 5.570 -2.432 -2.970 360 HH11 ARG 48 HH11 ARG 48 8.025 -2.249 -5.455 361 HH12 ARG 48 HH12 ARG 48 9.191 -1.470 -4.433 362 HH21 ARG 48 HH21 ARG 48 7.113 -1.392 -1.610 363 HH22 ARG 48 HH22 ARG 48 8.668 -0.971 -2.251 364 H TRP 49 H TRP 49 2.706 -7.725 -3.612 365 HA TRP 49 HA TRP 49 2.994 -7.996 -0.716 366 HB2 TRP 49 HB2 TRP 49 1.061 -9.419 -0.491 367 HB3 TRP 49 HB1 TRP 49 0.551 -7.902 -1.221 368 HD1 TRP 49 HD1 TRP 49 0.547 -11.604 -1.787 369 HE1 TRP 49 HE1 TRP 49 -0.568 -12.147 -4.041 370 HE3 TRP 49 HE3 TRP 49 0.300 -6.883 -3.726 371 HZ2 TRP 49 HZ2 TRP 49 -1.435 -10.754 -6.339 372 HZ3 TRP 49 HZ3 TRP 49 -0.694 -6.568 -5.950 373 HH2 TRP 49 HH2 TRP 49 -1.538 -8.462 -7.235 374 H ARG 50 H ARG 50 3.518 -10.145 -0.025 375 HA ARG 50 HA ARG 50 4.020 -12.196 -1.979 376 HB2 ARG 50 HB2 ARG 50 6.419 -12.440 -1.482 377 HB3 ARG 50 HB1 ARG 50 6.080 -10.884 -2.226 378 HG2 ARG 50 HG2 ARG 50 6.299 -9.786 -0.115 379 HG3 ARG 50 HG1 ARG 50 6.428 -11.338 0.722 380 HD2 ARG 50 HD2 ARG 50 8.455 -11.768 -0.781 381 HD3 ARG 50 HD1 ARG 50 8.396 -10.040 -1.138 382 HE ARG 50 HE ARG 50 8.371 -10.747 1.655 383 HH11 ARG 50 HH11 ARG 50 10.371 -9.924 -1.095 384 HH12 ARG 50 HH12 ARG 50 11.649 -9.254 -0.131 385 HH21 ARG 50 HH21 ARG 50 10.059 -9.881 2.934 386 HH22 ARG 50 HH22 ARG 50 11.477 -9.245 2.160 387 HA PRO 51 HA PRO 51 3.158 -14.795 1.522 388 HB2 PRO 51 HB2 PRO 51 5.276 -16.589 0.470 389 HB3 PRO 51 HB1 PRO 51 3.580 -16.938 0.821 390 HG2 PRO 51 HG2 PRO 51 4.438 -16.708 -1.693 391 HG3 PRO 51 HG1 PRO 51 2.848 -16.089 -1.206 392 HD2 PRO 51 HD2 PRO 51 5.390 -14.600 -1.713 393 HD3 PRO 51 HD1 PRO 51 3.719 -14.151 -2.110 394 H LYS 52 H LYS 52 3.919 -14.952 3.547 395 HA LYS 52 HA LYS 52 6.230 -13.494 4.260 396 HB2 LYS 52 HB2 LYS 52 3.952 -14.457 5.514 397 HB3 LYS 52 HB1 LYS 52 5.266 -15.292 6.323 398 HG2 LYS 52 HG2 LYS 52 5.040 -12.315 6.009 399 HG3 LYS 52 HG1 LYS 52 4.603 -13.228 7.451 400 HD2 LYS 52 HD2 LYS 52 6.915 -13.998 7.661 401 HD3 LYS 52 HD1 LYS 52 7.350 -13.084 6.215 402 HE2 LYS 52 HE2 LYS 52 7.963 -11.866 8.231 403 HE3 LYS 52 HE1 LYS 52 6.713 -11.010 7.330 404 HZ1 LYS 52 HZ1 LYS 52 6.283 -11.038 9.725 405 HZ2 LYS 52 HZ2 LYS 52 6.227 -12.727 9.704 406 HZ3 LYS 52 HZ3 LYS 52 5.063 -11.836 8.865 407 H ASN 53 H ASN 53 5.675 -16.872 3.663 408 HA ASN 53 HA ASN 53 8.102 -17.777 4.895 409 HB2 ASN 53 HB2 ASN 53 7.619 -19.930 3.845 410 HB3 ASN 53 HB1 ASN 53 6.173 -19.286 4.612 411 HD21 ASN 53 HD21 ASN 53 4.460 -18.604 3.338 412 HD22 ASN 53 HD22 ASN 53 4.323 -19.041 1.671 413 H SER 54 H SER 54 7.401 -16.112 2.093 414 HA SER 54 HA SER 54 9.873 -17.001 0.775 415 HB2 SER 54 HB2 SER 54 7.489 -15.513 -0.352 416 HB3 SER 54 HB1 SER 54 8.925 -15.969 -1.267 417 HG SER 54 HG SER 54 8.407 -18.184 -0.623 418 H VAL 55 H VAL 55 11.314 -15.403 -0.033 419 HA VAL 55 HA VAL 55 10.971 -12.711 1.066 420 HB VAL 55 HB VAL 55 12.533 -14.092 2.432 421 HG11 VAL 55 HG11 VAL 55 14.740 -14.659 1.532 422 HG12 VAL 55 HG12 VAL 55 14.211 -14.135 -0.068 423 HG13 VAL 55 HG13 VAL 55 13.442 -15.521 0.706 424 HG21 VAL 55 HG21 VAL 55 14.339 -12.451 2.508 425 HG22 VAL 55 HG22 VAL 55 12.753 -11.690 2.387 426 HG23 VAL 55 HG23 VAL 55 13.790 -11.795 0.968 427 H GLY 56 H GLY 56 10.417 -13.825 -1.572 428 HA2 GLY 56 HA2 GLY 56 12.590 -12.796 -3.235 429 HA3 GLY 56 HA1 GLY 56 11.251 -13.787 -3.786 430 H ARG 57 H ARG 57 10.244 -12.651 -5.291 431 HA ARG 57 HA ARG 57 10.229 -9.781 -5.263 432 HB2 ARG 57 HB2 ARG 57 9.106 -11.823 -7.156 433 HB3 ARG 57 HB1 ARG 57 8.870 -10.096 -7.377 434 HG2 ARG 57 HG2 ARG 57 11.279 -9.771 -7.495 435 HG3 ARG 57 HG1 ARG 57 11.527 -11.501 -7.258 436 HD2 ARG 57 HD2 ARG 57 11.695 -10.934 -9.606 437 HD3 ARG 57 HD1 ARG 57 10.290 -11.953 -9.315 438 HE ARG 57 HE ARG 57 9.612 -9.186 -9.251 439 HH11 ARG 57 HH11 ARG 57 10.274 -11.850 -11.422 440 HH12 ARG 57 HH12 ARG 57 9.350 -11.184 -12.729 441 HH21 ARG 57 HH21 ARG 57 8.420 -8.290 -10.982 442 HH22 ARG 57 HH22 ARG 57 8.305 -9.152 -12.481 443 H TRP 58 H TRP 58 8.509 -8.418 -5.098 444 HA TRP 58 HA TRP 58 6.096 -9.442 -3.814 445 HB2 TRP 58 HB2 TRP 58 6.886 -6.586 -4.453 446 HB3 TRP 58 HB1 TRP 58 5.543 -7.094 -3.441 447 HD1 TRP 58 HD1 TRP 58 9.417 -7.366 -3.410 448 HE1 TRP 58 HE1 TRP 58 10.200 -7.199 -0.962 449 HE3 TRP 58 HE3 TRP 58 4.856 -7.126 -1.126 450 HZ2 TRP 58 HZ2 TRP 58 9.030 -6.992 1.594 451 HZ3 TRP 58 HZ3 TRP 58 4.774 -6.941 1.324 452 HH2 TRP 58 HH2 TRP 58 6.818 -6.875 2.655 453 H LYS 59 H LYS 59 4.180 -9.661 -4.899 454 HA LYS 59 HA LYS 59 4.079 -9.273 -7.721 455 HB2 LYS 59 HB2 LYS 59 1.810 -9.729 -5.773 456 HB3 LYS 59 HB1 LYS 59 1.688 -9.841 -7.523 457 HG2 LYS 59 HG2 LYS 59 3.404 -11.667 -7.424 458 HG3 LYS 59 HG1 LYS 59 3.230 -11.633 -5.667 459 HD2 LYS 59 HD2 LYS 59 0.811 -12.072 -5.938 460 HD3 LYS 59 HD1 LYS 59 1.054 -12.199 -7.680 461 HE2 LYS 59 HE2 LYS 59 2.687 -14.040 -7.230 462 HE3 LYS 59 HE1 LYS 59 2.204 -13.968 -5.536 463 HZ1 LYS 59 HZ1 LYS 59 0.414 -14.580 -7.821 464 HZ2 LYS 59 HZ2 LYS 59 -0.059 -14.490 -6.204 465 HZ3 LYS 59 HZ3 LYS 59 1.008 -15.697 -6.700 466 H GLU 60 H GLU 60 2.915 -7.713 -8.913 467 HA GLU 60 HA GLU 60 2.541 -5.214 -7.397 468 HB2 GLU 60 HB2 GLU 60 3.433 -5.556 -10.262 469 HB3 GLU 60 HB1 GLU 60 3.240 -4.025 -9.423 470 HG2 GLU 60 HG2 GLU 60 5.066 -4.502 -7.974 471 HG3 GLU 60 HG1 GLU 60 5.164 -6.165 -8.556 472 H ALA 61 H ALA 61 0.555 -4.455 -7.356 473 HA ALA 61 HA ALA 61 -1.127 -4.780 -9.755 474 HB1 ALA 61 HB1 ALA 61 -1.978 -6.215 -7.964 475 HB2 ALA 61 HB2 ALA 61 -3.101 -4.901 -8.318 476 HB3 ALA 61 HB3 ALA 61 -2.072 -4.821 -6.889 477 H THR 62 H THR 62 -1.835 -2.901 -10.588 478 HA THR 62 HA THR 62 -1.303 -0.461 -9.051 479 HB THR 62 HB THR 62 -1.860 -0.709 -12.011 480 HG1 THR 62 HG1 THR 62 0.274 -1.513 -10.721 481 HG21 THR 62 HG21 THR 62 -2.301 1.511 -11.093 482 HG22 THR 62 HG22 THR 62 -0.861 1.535 -12.113 483 HG23 THR 62 HG23 THR 62 -0.699 1.535 -10.356 484 H ILE 63 H ILE 63 -2.926 0.636 -8.217 485 HA ILE 63 HA ILE 63 -5.646 0.212 -9.279 486 HB ILE 63 HB ILE 63 -4.810 1.196 -6.538 487 HG12 ILE 63 HG12 ILE 63 -6.098 -0.973 -5.887 488 HG13 ILE 63 HG11 ILE 63 -5.765 -1.469 -7.540 489 HG21 ILE 63 HG21 ILE 63 -6.904 2.214 -7.300 490 HG22 ILE 63 HG22 ILE 63 -7.171 1.102 -5.956 491 HG23 ILE 63 HG23 ILE 63 -7.570 0.609 -7.601 492 HD11 ILE 63 HD11 ILE 63 -3.368 -1.225 -7.121 493 HD12 ILE 63 HD12 ILE 63 -4.119 -2.372 -6.011 494 HD13 ILE 63 HD13 ILE 63 -3.713 -0.746 -5.459 495 HA PRO 64 HA PRO 64 -5.558 4.421 -10.851 496 HB2 PRO 64 HB2 PRO 64 -8.450 4.183 -10.133 497 HB3 PRO 64 HB1 PRO 64 -7.708 4.772 -11.626 498 HG2 PRO 64 HG2 PRO 64 -8.793 2.347 -11.529 499 HG3 PRO 64 HG1 PRO 64 -7.283 2.628 -12.413 500 HD2 PRO 64 HD2 PRO 64 -7.717 1.316 -9.774 501 HD3 PRO 64 HD1 PRO 64 -6.516 0.958 -11.030 502 H GLY 65 H GLY 65 -5.352 6.374 -9.874 503 HA2 GLY 65 HA2 GLY 65 -5.146 6.378 -7.041 504 HA3 GLY 65 HA1 GLY 65 -4.863 7.744 -8.103 505 H HIS 66 H HIS 66 -7.926 6.541 -8.672 506 HA HIS 66 HA HIS 66 -9.086 8.463 -6.781 507 HB2 HIS 66 HB2 HIS 66 -11.084 8.476 -8.316 508 HB3 HIS 66 HB1 HIS 66 -9.619 9.176 -8.988 509 HD1 HIS 66 HD1 HIS 66 -8.801 8.241 -11.158 510 HD2 HIS 66 HD2 HIS 66 -11.737 5.870 -9.412 511 HE1 HIS 66 HE1 HIS 66 -9.409 6.530 -12.895 512 HE2 HIS 66 HE2 HIS 66 -11.313 5.228 -11.883 513 H LEU 67 H LEU 67 -8.390 5.437 -6.690 514 HA LEU 67 HA LEU 67 -10.943 4.659 -5.428 515 HB2 LEU 67 HB2 LEU 67 -8.823 2.782 -6.479 516 HB3 LEU 67 HB1 LEU 67 -10.378 2.334 -5.812 517 HG LEU 67 HG LEU 67 -9.877 3.730 -8.434 518 HD11 LEU 67 HD11 LEU 67 -10.972 1.003 -7.788 519 HD12 LEU 67 HD12 LEU 67 -9.377 1.355 -8.453 520 HD13 LEU 67 HD13 LEU 67 -10.822 1.706 -9.400 521 HD21 LEU 67 HD21 LEU 67 -12.293 3.576 -8.788 522 HD22 LEU 67 HD22 LEU 67 -11.912 4.594 -7.399 523 HD23 LEU 67 HD23 LEU 67 -12.494 2.947 -7.152 524 H ASN 68 H ASN 68 -10.591 3.110 -3.554 525 HA ASN 68 HA ASN 68 -7.956 3.370 -2.316 526 HB2 ASN 68 HB2 ASN 68 -8.813 4.058 -0.182 527 HB3 ASN 68 HB1 ASN 68 -9.399 5.189 -1.391 528 HD21 ASN 68 HD21 ASN 68 -10.373 4.437 1.292 529 HD22 ASN 68 HD22 ASN 68 -12.034 4.006 1.074 530 H SER 69 H SER 69 -9.461 1.203 -3.614 531 HA SER 69 HA SER 69 -9.065 -0.780 -1.552 532 HB2 SER 69 HB2 SER 69 -11.417 -0.121 -1.204 533 HB3 SER 69 HB1 SER 69 -11.764 -0.483 -2.894 534 HG SER 69 HG SER 69 -10.650 -2.433 -1.184 535 H TYR 70 H TYR 70 -8.607 -2.800 -2.357 536 HA TYR 70 HA TYR 70 -8.983 -3.276 -5.223 537 HB2 TYR 70 HB2 TYR 70 -6.672 -2.493 -4.970 538 HB3 TYR 70 HB1 TYR 70 -6.379 -3.708 -3.734 539 HD1 TYR 70 HD1 TYR 70 -7.482 -3.443 -7.294 540 HD2 TYR 70 HD2 TYR 70 -5.395 -5.700 -4.358 541 HE1 TYR 70 HE1 TYR 70 -6.775 -5.032 -9.030 542 HE2 TYR 70 HE2 TYR 70 -4.683 -7.300 -6.085 543 HH TYR 70 HH TYR 70 -4.897 -6.680 -9.371 544 H THR 71 H THR 71 -9.462 -5.386 -5.722 545 HA THR 71 HA THR 71 -9.782 -7.204 -3.443 546 HB THR 71 HB THR 71 -10.891 -7.496 -6.242 547 HG1 THR 71 HG1 THR 71 -11.591 -5.699 -4.555 548 HG21 THR 71 HG21 THR 71 -11.607 -8.877 -3.650 549 HG22 THR 71 HG22 THR 71 -10.723 -9.600 -4.994 550 HG23 THR 71 HG23 THR 71 -12.406 -9.118 -5.203 551 H ILE 72 H ILE 72 -7.899 -8.265 -3.137 552 HA ILE 72 HA ILE 72 -6.241 -9.110 -5.351 553 HB ILE 72 HB ILE 72 -5.947 -9.881 -2.441 554 HG12 ILE 72 HG12 ILE 72 -4.670 -7.557 -3.901 555 HG13 ILE 72 HG11 ILE 72 -5.947 -7.421 -2.697 556 HG21 ILE 72 HG21 ILE 72 -4.703 -11.276 -4.001 557 HG22 ILE 72 HG22 ILE 72 -3.607 -10.279 -3.046 558 HG23 ILE 72 HG23 ILE 72 -3.968 -9.843 -4.718 559 HD11 ILE 72 HD11 ILE 72 -3.887 -6.904 -1.631 560 HD12 ILE 72 HD12 ILE 72 -3.126 -8.363 -2.278 561 HD13 ILE 72 HD13 ILE 72 -4.393 -8.499 -1.062 562 H LYS 73 H LYS 73 -6.725 -10.878 -6.488 563 HA LYS 73 HA LYS 73 -7.984 -13.134 -5.069 564 HB2 LYS 73 HB2 LYS 73 -8.105 -12.432 -8.011 565 HB3 LYS 73 HB1 LYS 73 -8.822 -13.863 -7.285 566 HG2 LYS 73 HG2 LYS 73 -10.313 -12.471 -5.961 567 HG3 LYS 73 HG1 LYS 73 -9.575 -11.018 -6.644 568 HD2 LYS 73 HD2 LYS 73 -10.293 -11.731 -8.886 569 HD3 LYS 73 HD1 LYS 73 -11.061 -13.151 -8.175 570 HE2 LYS 73 HE2 LYS 73 -11.765 -10.303 -7.486 571 HE3 LYS 73 HE1 LYS 73 -12.628 -11.278 -8.673 572 HZ1 LYS 73 HZ1 LYS 73 -13.154 -12.861 -6.905 573 HZ2 LYS 73 HZ2 LYS 73 -13.762 -11.324 -6.563 574 HZ3 LYS 73 HZ3 LYS 73 -12.376 -11.876 -5.770 575 H GLY 74 H GLY 74 -6.965 -15.069 -5.069 576 HA2 GLY 74 HA2 GLY 74 -5.486 -16.657 -6.194 577 HA3 GLY 74 HA1 GLY 74 -4.514 -15.284 -6.708 578 H LEU 75 H LEU 75 -5.795 -15.316 -3.507 579 HA LEU 75 HA LEU 75 -3.109 -15.661 -2.417 580 HB2 LEU 75 HB2 LEU 75 -5.711 -14.799 -1.148 581 HB3 LEU 75 HB1 LEU 75 -4.208 -14.986 -0.265 582 HG LEU 75 HG LEU 75 -4.670 -13.013 -2.513 583 HD11 LEU 75 HD11 LEU 75 -4.503 -12.627 0.466 584 HD12 LEU 75 HD12 LEU 75 -5.930 -12.413 -0.547 585 HD13 LEU 75 HD13 LEU 75 -4.548 -11.334 -0.731 586 HD21 LEU 75 HD21 LEU 75 -2.352 -13.745 -2.392 587 HD22 LEU 75 HD22 LEU 75 -2.320 -13.402 -0.664 588 HD23 LEU 75 HD23 LEU 75 -2.513 -12.085 -1.820 589 H LYS 76 H LYS 76 -2.660 -17.224 -0.803 590 HA LYS 76 HA LYS 76 -4.264 -19.636 -1.159 591 HB2 LYS 76 HB2 LYS 76 -1.520 -19.296 0.063 592 HB3 LYS 76 HB1 LYS 76 -2.315 -20.825 -0.285 593 HG2 LYS 76 HG2 LYS 76 -2.253 -20.339 -2.665 594 HG3 LYS 76 HG1 LYS 76 -1.508 -18.773 -2.335 595 HD2 LYS 76 HD2 LYS 76 0.397 -19.947 -1.287 596 HD3 LYS 76 HD1 LYS 76 -0.340 -21.487 -1.732 597 HE2 LYS 76 HE2 LYS 76 0.494 -19.326 -3.661 598 HE3 LYS 76 HE1 LYS 76 1.417 -20.784 -3.308 599 HZ1 LYS 76 HZ1 LYS 76 0.141 -21.023 -5.335 600 HZ2 LYS 76 HZ2 LYS 76 -1.295 -20.695 -4.512 601 HZ3 LYS 76 HZ3 LYS 76 -0.425 -22.103 -4.162 602 HA PRO 77 HA PRO 77 -6.026 -19.150 2.879 603 HB2 PRO 77 HB2 PRO 77 -7.089 -21.644 3.101 604 HB3 PRO 77 HB1 PRO 77 -7.812 -20.371 2.111 605 HG2 PRO 77 HG2 PRO 77 -6.071 -22.659 1.281 606 HG3 PRO 77 HG1 PRO 77 -7.527 -22.017 0.496 607 HD2 PRO 77 HD2 PRO 77 -5.033 -21.432 -0.369 608 HD3 PRO 77 HD1 PRO 77 -6.379 -20.283 -0.498 609 H GLY 78 H GLY 78 -4.809 -19.126 4.633 610 HA2 GLY 78 HA2 GLY 78 -3.990 -20.350 6.542 611 HA3 GLY 78 HA1 GLY 78 -3.470 -21.624 5.448 612 H VAL 79 H VAL 79 -2.660 -19.009 3.795 613 HA VAL 79 HA VAL 79 0.066 -19.034 4.864 614 HB VAL 79 HB VAL 79 -0.929 -18.050 2.182 615 HG11 VAL 79 HG11 VAL 79 1.104 -16.905 2.853 616 HG12 VAL 79 HG12 VAL 79 1.440 -18.047 1.549 617 HG13 VAL 79 HG13 VAL 79 1.875 -18.452 3.209 618 HG21 VAL 79 HG21 VAL 79 -1.166 -20.454 2.368 619 HG22 VAL 79 HG22 VAL 79 0.503 -20.592 2.924 620 HG23 VAL 79 HG23 VAL 79 0.166 -20.052 1.281 621 H VAL 80 H VAL 80 1.007 -17.258 5.691 622 HA VAL 80 HA VAL 80 -0.585 -14.815 5.840 623 HB VAL 80 HB VAL 80 1.123 -14.055 7.500 624 HG11 VAL 80 HG11 VAL 80 -0.147 -16.718 8.117 625 HG12 VAL 80 HG12 VAL 80 -0.950 -15.154 8.204 626 HG13 VAL 80 HG13 VAL 80 0.384 -15.520 9.297 627 HG21 VAL 80 HG21 VAL 80 2.630 -15.782 8.460 628 HG22 VAL 80 HG22 VAL 80 3.053 -15.306 6.820 629 HG23 VAL 80 HG23 VAL 80 2.223 -16.833 7.104 630 H TYR 81 H TYR 81 0.205 -12.790 5.158 631 HA TYR 81 HA TYR 81 2.418 -12.950 3.210 632 HB2 TYR 81 HB2 TYR 81 -0.304 -11.692 2.846 633 HB3 TYR 81 HB1 TYR 81 1.051 -11.393 1.772 634 HD1 TYR 81 HD1 TYR 81 -1.286 -14.002 2.980 635 HD2 TYR 81 HD2 TYR 81 1.594 -12.906 0.049 636 HE1 TYR 81 HE1 TYR 81 -1.958 -15.928 1.606 637 HE2 TYR 81 HE2 TYR 81 0.936 -14.830 -1.328 638 HH TYR 81 HH TYR 81 -0.159 -16.887 -1.219 639 H GLU 82 H GLU 82 3.492 -10.995 2.751 640 HA GLU 82 HA GLU 82 3.057 -8.792 4.655 641 HB2 GLU 82 HB2 GLU 82 5.403 -9.523 2.893 642 HB3 GLU 82 HB1 GLU 82 5.282 -7.976 3.715 643 HG2 GLU 82 HG2 GLU 82 5.230 -10.621 5.126 644 HG3 GLU 82 HG1 GLU 82 6.692 -9.679 4.857 645 H GLY 83 H GLY 83 2.691 -6.678 3.849 646 HA2 GLY 83 HA2 GLY 83 2.206 -6.521 0.950 647 HA3 GLY 83 HA1 GLY 83 0.934 -6.071 2.073 648 H GLN 84 H GLN 84 2.355 -4.530 0.017 649 HA GLN 84 HA GLN 84 3.013 -2.235 1.731 650 HB2 GLN 84 HB2 GLN 84 4.508 -3.130 -0.736 651 HB3 GLN 84 HB1 GLN 84 4.681 -1.534 -0.021 652 HG2 GLN 84 HG2 GLN 84 5.473 -2.583 2.057 653 HG3 GLN 84 HG1 GLN 84 5.354 -4.162 1.279 654 HE21 GLN 84 HE21 GLN 84 6.835 -4.721 -0.308 655 HE22 GLN 84 HE22 GLN 84 8.308 -3.843 -0.548 656 H LEU 85 H LEU 85 1.789 -0.542 1.278 657 HA LEU 85 HA LEU 85 0.493 -0.378 -1.362 658 HB2 LEU 85 HB2 LEU 85 -0.971 -0.536 0.668 659 HB3 LEU 85 HB1 LEU 85 -0.288 0.971 1.232 660 HG LEU 85 HG LEU 85 -2.592 1.060 0.149 661 HD11 LEU 85 HD11 LEU 85 -2.195 3.193 -0.886 662 HD12 LEU 85 HD12 LEU 85 -0.478 2.832 -1.060 663 HD13 LEU 85 HD13 LEU 85 -1.177 3.045 0.546 664 HD21 LEU 85 HD21 LEU 85 -2.076 -0.425 -1.738 665 HD22 LEU 85 HD22 LEU 85 -0.960 0.785 -2.370 666 HD23 LEU 85 HD23 LEU 85 -2.683 1.142 -2.267 667 H ILE 86 H ILE 86 1.580 0.945 -2.681 668 HA ILE 86 HA ILE 86 2.961 3.264 -1.494 669 HB ILE 86 HB ILE 86 3.514 2.055 -4.211 670 HG12 ILE 86 HG12 ILE 86 5.719 1.391 -2.940 671 HG13 ILE 86 HG11 ILE 86 4.684 1.457 -1.519 672 HG21 ILE 86 HG21 ILE 86 4.118 4.423 -3.934 673 HG22 ILE 86 HG22 ILE 86 5.533 3.393 -4.153 674 HG23 ILE 86 HG23 ILE 86 5.120 3.989 -2.544 675 HD11 ILE 86 HD11 ILE 86 3.184 -0.187 -2.594 676 HD12 ILE 86 HD12 ILE 86 4.813 -0.797 -2.309 677 HD13 ILE 86 HD13 ILE 86 4.331 -0.305 -3.931 678 H SER 87 H SER 87 2.023 5.171 -1.811 679 HA SER 87 HA SER 87 0.154 5.488 -4.032 680 HB2 SER 87 HB2 SER 87 -0.298 7.715 -2.850 681 HB3 SER 87 HB1 SER 87 -0.766 6.249 -1.990 682 HG SER 87 HG SER 87 0.366 7.719 -0.647 683 H ILE 88 H ILE 88 0.703 6.482 -5.848 684 HA ILE 88 HA ILE 88 3.174 8.085 -5.894 685 HB ILE 88 HB ILE 88 1.666 6.925 -8.244 686 HG12 ILE 88 HG12 ILE 88 2.562 5.129 -6.835 687 HG13 ILE 88 HG11 ILE 88 3.436 5.228 -8.357 688 HG21 ILE 88 HG21 ILE 88 3.001 8.879 -8.801 689 HG22 ILE 88 HG22 ILE 88 3.708 7.422 -9.498 690 HG23 ILE 88 HG23 ILE 88 4.419 8.141 -8.054 691 HD11 ILE 88 HD11 ILE 88 4.947 4.826 -6.516 692 HD12 ILE 88 HD12 ILE 88 4.374 6.280 -5.701 693 HD13 ILE 88 HD13 ILE 88 5.253 6.412 -7.225 694 H GLN 89 H GLN 89 2.776 10.211 -5.702 695 HA GLN 89 HA GLN 89 0.206 11.268 -6.563 696 HB2 GLN 89 HB2 GLN 89 2.490 12.637 -5.163 697 HB3 GLN 89 HB1 GLN 89 0.923 13.354 -5.492 698 HG2 GLN 89 HG2 GLN 89 -0.130 11.646 -4.069 699 HG3 GLN 89 HG1 GLN 89 1.473 11.012 -3.686 700 HE21 GLN 89 HE21 GLN 89 1.309 11.480 -1.503 701 HE22 GLN 89 HE22 GLN 89 1.330 13.100 -0.900 702 H GLN 90 H GLN 90 0.434 13.657 -7.367 703 HA GLN 90 HA GLN 90 1.202 13.631 -10.019 704 HB2 GLN 90 HB2 GLN 90 -0.395 15.207 -9.070 705 HB3 GLN 90 HB1 GLN 90 0.882 15.974 -8.141 706 HG2 GLN 90 HG2 GLN 90 1.947 16.710 -10.205 707 HG3 GLN 90 HG1 GLN 90 0.671 15.931 -11.141 708 HE21 GLN 90 HE21 GLN 90 1.505 18.592 -9.087 709 HE22 GLN 90 HE22 GLN 90 0.064 19.511 -9.336 710 H TYR 91 H TYR 91 2.985 14.880 -7.223 711 HA TYR 91 HA TYR 91 5.127 15.898 -8.882 712 HB2 TYR 91 HB2 TYR 91 4.942 15.755 -5.865 713 HB3 TYR 91 HB1 TYR 91 6.102 16.697 -6.792 714 HD1 TYR 91 HD1 TYR 91 2.614 16.458 -5.690 715 HD2 TYR 91 HD2 TYR 91 5.462 18.787 -7.829 716 HE1 TYR 91 HE1 TYR 91 1.075 18.372 -5.641 717 HE2 TYR 91 HE2 TYR 91 3.928 20.709 -7.787 718 HH TYR 91 HH TYR 91 1.122 20.767 -5.813 719 H GLY 92 H GLY 92 4.487 12.880 -8.420 720 HA2 GLY 92 HA2 GLY 92 5.760 10.954 -8.305 721 HA3 GLY 92 HA1 GLY 92 7.198 11.969 -8.268 722 H HIS 93 H HIS 93 4.782 12.681 -5.998 723 HA HIS 93 HA HIS 93 6.454 12.135 -3.762 724 HB2 HIS 93 HB2 HIS 93 4.453 13.847 -4.137 725 HB3 HIS 93 HB1 HIS 93 3.500 12.518 -3.497 726 HD1 HIS 93 HD1 HIS 93 3.612 12.077 -0.980 727 HD2 HIS 93 HD2 HIS 93 6.253 15.018 -2.294 728 HE1 HIS 93 HE1 HIS 93 4.416 13.253 1.086 729 HE2 HIS 93 HE2 HIS 93 6.075 14.956 0.285 730 H GLN 94 H GLN 94 6.714 10.192 -2.802 731 HA GLN 94 HA GLN 94 4.692 8.123 -3.373 732 HB2 GLN 94 HB2 GLN 94 7.643 7.708 -2.880 733 HB3 GLN 94 HB1 GLN 94 6.472 6.474 -3.315 734 HG2 GLN 94 HG2 GLN 94 6.168 7.494 -5.489 735 HG3 GLN 94 HG1 GLN 94 7.280 8.791 -5.054 736 HE21 GLN 94 HE21 GLN 94 6.976 5.440 -5.905 737 HE22 GLN 94 HE22 GLN 94 8.653 5.155 -6.208 738 H GLU 95 H GLU 95 3.594 7.539 -1.647 739 HA GLU 95 HA GLU 95 4.983 7.443 0.947 740 HB2 GLU 95 HB2 GLU 95 2.156 7.993 0.187 741 HB3 GLU 95 HB1 GLU 95 2.443 7.138 1.693 742 HG2 GLU 95 HG2 GLU 95 2.209 9.486 2.116 743 HG3 GLU 95 HG1 GLU 95 3.862 8.985 2.454 744 H VAL 96 H VAL 96 5.654 5.468 1.437 745 HA VAL 96 HA VAL 96 4.206 3.172 0.340 746 HB VAL 96 HB VAL 96 6.914 3.258 1.681 747 HG11 VAL 96 HG11 VAL 96 7.183 0.986 0.769 748 HG12 VAL 96 HG12 VAL 96 5.511 1.028 0.212 749 HG13 VAL 96 HG13 VAL 96 5.867 1.089 1.936 750 HG21 VAL 96 HG21 VAL 96 7.780 2.865 -0.614 751 HG22 VAL 96 HG22 VAL 96 7.019 4.439 -0.405 752 HG23 VAL 96 HG23 VAL 96 6.153 3.146 -1.235 753 H THR 97 H THR 97 2.595 2.587 1.622 754 HA THR 97 HA THR 97 2.953 2.619 4.525 755 HB THR 97 HB THR 97 0.451 1.937 2.968 756 HG1 THR 97 HG1 THR 97 1.659 4.259 3.051 757 HG21 THR 97 HG21 THR 97 0.883 2.841 5.817 758 HG22 THR 97 HG22 THR 97 0.461 1.207 5.305 759 HG23 THR 97 HG23 THR 97 -0.679 2.532 5.061 760 H ARG 98 H ARG 98 3.838 0.846 5.353 761 HA ARG 98 HA ARG 98 3.610 -1.680 3.910 762 HB2 ARG 98 HB2 ARG 98 5.297 -1.006 6.325 763 HB3 ARG 98 HB1 ARG 98 5.425 -2.449 5.327 764 HG2 ARG 98 HG2 ARG 98 6.060 -1.036 3.412 765 HG3 ARG 98 HG1 ARG 98 6.002 0.378 4.465 766 HD2 ARG 98 HD2 ARG 98 7.735 -0.645 5.885 767 HD3 ARG 98 HD1 ARG 98 7.822 -2.005 4.766 768 HE ARG 98 HE ARG 98 8.555 0.772 4.092 769 HH11 ARG 98 HH11 ARG 98 8.863 -2.687 3.596 770 HH12 ARG 98 HH12 ARG 98 10.187 -2.531 2.485 771 HH21 ARG 98 HH21 ARG 98 10.296 0.971 2.627 772 HH22 ARG 98 HH22 ARG 98 10.994 -0.458 1.932 773 H PHE 99 H PHE 99 2.620 -3.453 4.682 774 HA PHE 99 HA PHE 99 1.570 -3.534 7.380 775 HB2 PHE 99 HB2 PHE 99 -0.762 -3.816 6.678 776 HB3 PHE 99 HB1 PHE 99 -0.155 -2.245 6.178 777 HD1 PHE 99 HD1 PHE 99 -1.643 -5.332 5.132 778 HD2 PHE 99 HD2 PHE 99 0.514 -1.927 3.763 779 HE1 PHE 99 HE1 PHE 99 -2.373 -5.801 2.830 780 HE2 PHE 99 HE2 PHE 99 -0.212 -2.392 1.460 781 HZ PHE 99 HZ PHE 99 -1.656 -4.328 0.990 782 H ASP 100 H ASP 100 0.006 -5.639 7.387 783 HA ASP 100 HA ASP 100 1.094 -7.683 5.608 784 HB2 ASP 100 HB2 ASP 100 1.660 -9.215 7.332 785 HB3 ASP 100 HB1 ASP 100 2.405 -7.692 7.798 786 H PHE 101 H PHE 101 -0.243 -9.655 5.633 787 HA PHE 101 HA PHE 101 -2.829 -9.443 6.866 788 HB2 PHE 101 HB2 PHE 101 -4.109 -9.560 4.761 789 HB3 PHE 101 HB1 PHE 101 -3.228 -8.048 4.929 790 HD1 PHE 101 HD1 PHE 101 -1.161 -7.681 3.583 791 HD2 PHE 101 HD2 PHE 101 -3.732 -11.013 2.945 792 HE1 PHE 101 HE1 PHE 101 -0.183 -8.005 1.349 793 HE2 PHE 101 HE2 PHE 101 -2.752 -11.344 0.714 794 HZ PHE 101 HZ PHE 101 -0.980 -9.839 -0.087 795 H THR 102 H THR 102 -4.015 -11.356 6.813 796 HA THR 102 HA THR 102 -2.562 -13.673 5.750 797 HB THR 102 HB THR 102 -2.121 -13.625 8.122 798 HG1 THR 102 HG1 THR 102 -4.086 -15.557 8.239 799 HG21 THR 102 HG21 THR 102 -5.111 -13.494 8.504 800 HG22 THR 102 HG22 THR 102 -3.954 -12.212 8.865 801 HG23 THR 102 HG23 THR 102 -3.924 -13.714 9.790 802 H THR 103 H THR 103 -3.762 -15.115 4.682 803 HA THR 103 HA THR 103 -6.668 -14.724 4.635 804 HB THR 103 HB THR 103 -5.023 -16.501 2.815 805 HG1 THR 103 HG1 THR 103 -4.856 -13.920 2.935 806 HG21 THR 103 HG21 THR 103 -7.435 -16.973 2.873 807 HG22 THR 103 HG22 THR 103 -6.953 -16.297 1.317 808 HG23 THR 103 HG23 THR 103 -7.774 -15.283 2.502 809 H THR 104 H THR 104 -6.703 -15.644 6.832 810 HA THR 104 HA THR 104 -5.854 -18.371 7.207 811 HB THR 104 HB THR 104 -7.541 -16.831 9.164 812 HG1 THR 104 HG1 THR 104 -5.901 -15.528 9.622 813 HG21 THR 104 HG21 THR 104 -6.165 -18.038 10.800 814 HG22 THR 104 HG22 THR 104 -5.256 -18.786 9.488 815 HG23 THR 104 HG23 THR 104 -6.967 -19.156 9.699 816 H SER 105 H SER 105 -7.690 -18.285 5.178 817 HA SER 105 HA SER 105 -10.281 -19.040 6.211 818 HB2 SER 105 HB2 SER 105 -9.219 -19.097 3.376 819 HB3 SER 105 HB1 SER 105 -10.910 -19.257 3.861 820 HG SER 105 HG SER 105 -10.123 -17.085 3.178 821 H THR 106 H THR 106 -9.250 -20.785 7.492 822 HA THR 106 HA THR 106 -8.221 -23.072 6.080 823 HB THR 106 HB THR 106 -8.226 -24.109 8.383 824 HG1 THR 106 HG1 THR 106 -9.906 -22.817 9.276 825 HG21 THR 106 HG21 THR 106 -6.388 -22.715 9.221 826 HG22 THR 106 HG22 THR 106 -6.839 -21.440 8.089 827 HG23 THR 106 HG23 THR 106 -6.242 -22.986 7.484 828 H SER 107 H SER 107 -10.282 -23.142 4.776 829 HA SER 107 HA SER 107 -12.445 -24.530 6.196 830 HB2 SER 107 HB2 SER 107 -12.866 -22.431 4.760 831 HB3 SER 107 HB1 SER 107 -12.570 -23.473 3.370 832 HG SER 107 HG SER 107 -14.661 -23.551 5.252 833 H THR 108 H THR 108 -9.710 -25.323 4.794 834 HA THR 108 HA THR 108 -10.176 -27.194 2.824 835 HB THR 108 HB THR 108 -8.129 -27.501 5.021 836 HG1 THR 108 HG1 THR 108 -8.268 -25.767 2.792 837 HG21 THR 108 HG21 THR 108 -8.099 -28.357 2.126 838 HG22 THR 108 HG22 THR 108 -8.364 -29.425 3.503 839 HG23 THR 108 HG23 THR 108 -6.810 -28.615 3.303 840 HA PRO 109 HA PRO 109 -10.843 -30.611 6.248 841 HB2 PRO 109 HB2 PRO 109 -11.666 -29.697 8.691 842 HB3 PRO 109 HB1 PRO 109 -9.987 -30.079 8.296 843 HG2 PRO 109 HG2 PRO 109 -11.364 -27.423 8.345 844 HG3 PRO 109 HG1 PRO 109 -9.753 -27.860 8.943 845 HD2 PRO 109 HD2 PRO 109 -10.093 -26.606 6.594 846 HD3 PRO 109 HD1 PRO 109 -8.820 -27.819 6.831 847 H GLY 110 H GLY 110 -12.696 -28.026 5.283 848 HA2 GLY 110 HA2 GLY 110 -15.224 -28.673 6.401 849 HA3 GLY 110 HA1 GLY 110 -14.950 -27.721 4.950 850 H SER 111 H SER 111 -13.362 -30.069 3.859 851 HA SER 111 HA SER 111 -15.683 -31.678 3.024 852 HB2 SER 111 HB2 SER 111 -14.552 -30.284 1.255 853 HB3 SER 111 HB1 SER 111 -13.098 -31.245 1.502 854 HG SER 111 HG SER 111 -15.464 -31.882 0.211 855 H ARG 112 H ARG 112 -13.814 -31.980 5.349 856 HA ARG 112 HA ARG 112 -12.184 -34.279 4.795 857 HB2 ARG 112 HB2 ARG 112 -11.567 -32.660 6.531 858 HB3 ARG 112 HB1 ARG 112 -13.037 -33.040 7.417 859 HG2 ARG 112 HG2 ARG 112 -12.232 -35.337 7.736 860 HG3 ARG 112 HG1 ARG 112 -10.744 -34.917 6.883 861 HD2 ARG 112 HD2 ARG 112 -10.309 -33.177 8.576 862 HD3 ARG 112 HD1 ARG 112 -11.754 -33.687 9.445 863 HE ARG 112 HE ARG 112 -10.487 -35.961 9.456 864 HH11 ARG 112 HH11 ARG 112 -9.104 -32.768 9.852 865 HH12 ARG 112 HH12 ARG 112 -7.773 -33.326 10.815 866 HH21 ARG 112 HH21 ARG 112 -8.739 -36.695 10.729 867 HH22 ARG 112 HH22 ARG 112 -7.570 -35.559 11.316 868 H SER 113 H SER 113 -14.981 -33.776 6.927 869 HA SER 113 HA SER 113 -15.579 -36.624 6.827 870 HB2 SER 113 HB2 SER 113 -16.948 -34.425 8.400 871 HB3 SER 113 HB1 SER 113 -17.131 -36.162 8.639 872 HG SER 113 HG SER 113 -15.364 -36.175 9.776 873 H HIS 114 H HIS 114 -17.123 -37.434 5.541 874 HA HIS 114 HA HIS 114 -18.680 -35.535 3.955 875 HB2 HIS 114 HB2 HIS 114 -18.087 -38.471 3.577 876 HB3 HIS 114 HB1 HIS 114 -19.201 -37.573 2.551 877 HD1 HIS 114 HD1 HIS 114 -18.201 -36.038 0.783 878 HD2 HIS 114 HD2 HIS 114 -15.347 -37.769 3.262 879 HE1 HIS 114 HE1 HIS 114 -15.984 -35.533 -0.285 880 HE2 HIS 114 HE2 HIS 114 -14.284 -36.713 1.152 881 H HIS 115 H HIS 115 -19.107 -36.993 6.787 882 HA HIS 115 HA HIS 115 -21.654 -38.187 6.560 883 HB2 HIS 115 HB2 HIS 115 -20.173 -38.515 8.511 884 HB3 HIS 115 HB1 HIS 115 -20.429 -36.839 8.976 885 HD1 HIS 115 HD1 HIS 115 -21.790 -36.993 11.050 886 HD2 HIS 115 HD2 HIS 115 -23.209 -39.509 8.065 887 HE1 HIS 115 HE1 HIS 115 -23.904 -37.993 11.960 888 HE2 HIS 115 HE2 HIS 115 -24.849 -39.337 10.054 889 H HIS 116 H HIS 116 -20.657 -34.848 7.289 890 HA HIS 116 HA HIS 116 -23.406 -33.973 7.327 891 HB2 HIS 116 HB2 HIS 116 -22.588 -31.743 7.661 892 HB3 HIS 116 HB1 HIS 116 -21.622 -32.808 8.666 893 HD1 HIS 116 HD1 HIS 116 -21.410 -30.367 5.909 894 HD2 HIS 116 HD2 HIS 116 -18.913 -33.118 7.770 895 HE1 HIS 116 HE1 HIS 116 -19.081 -29.756 5.192 896 HE2 HIS 116 HE2 HIS 116 -17.604 -31.525 6.206 897 H HIS 117 H HIS 117 -24.587 -33.657 5.579 898 HA HIS 117 HA HIS 117 -23.440 -32.578 3.160 899 HB2 HIS 117 HB2 HIS 117 -22.935 -35.044 3.056 900 HB3 HIS 117 HB1 HIS 117 -24.668 -35.343 3.070 901 HD1 HIS 117 HD1 HIS 117 -25.860 -35.252 0.856 902 HD2 HIS 117 HD2 HIS 117 -22.029 -33.645 0.680 903 HE1 HIS 117 HE1 HIS 117 -25.404 -34.851 -1.580 904 HE2 HIS 117 HE2 HIS 117 -23.161 -33.714 -1.644 905 H HIS 118 H HIS 118 -24.959 -31.659 1.849 906 HA HIS 118 HA HIS 118 -27.787 -32.092 2.504 907 HB2 HIS 118 HB2 HIS 118 -28.242 -29.695 2.315 908 HB3 HIS 118 HB1 HIS 118 -27.069 -29.989 3.592 909 HD1 HIS 118 HD1 HIS 118 -27.372 -28.511 0.145 910 HD2 HIS 118 HD2 HIS 118 -24.567 -28.846 3.190 911 HE1 HIS 118 HE1 HIS 118 -25.500 -26.959 -0.488 912 HE2 HIS 118 HE2 HIS 118 -23.868 -27.094 1.427 913 H HIS 119 H HIS 119 -29.241 -31.499 0.743 914 HA HIS 119 HA HIS 119 -27.943 -31.840 -1.858 915 HB2 HIS 119 HB2 HIS 119 -29.820 -33.370 -1.206 916 HB3 HIS 119 HB1 HIS 119 -30.892 -31.976 -1.196 917 HD1 HIS 119 HD1 HIS 119 -28.825 -34.060 -3.566 918 HD2 HIS 119 HD2 HIS 119 -31.876 -31.241 -3.662 919 HE1 HIS 119 HE1 HIS 119 -29.629 -34.016 -5.948 920 HE2 HIS 119 HE2 HIS 119 -31.364 -32.192 -6.011 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 6.635 27.141 12.861 2 H2 GLY 1 HT2 GLY 1 5.300 27.987 13.457 3 H3 GLY 1 HT3 GLY 1 5.454 27.713 11.796 4 HA2 GLY 1 HA1 GLY 1 5.065 25.620 13.852 5 HA3 GLY 1 HA2 GLY 1 3.818 26.231 12.776 6 H SER 2 H SER 2 5.241 23.544 13.160 7 HA SER 2 HA SER 2 5.678 23.086 10.300 8 HB2 SER 2 HB2 SER 2 7.567 21.501 10.990 9 HB3 SER 2 HB1 SER 2 7.908 23.227 11.088 10 HG SER 2 HG SER 2 8.422 22.806 13.076 11 H GLN 3 H GLN 3 4.409 21.500 9.603 12 HA GLN 3 HA GLN 3 3.110 19.755 11.515 13 HB2 GLN 3 HB2 GLN 3 2.815 20.056 8.523 14 HB3 GLN 3 HB1 GLN 3 1.948 18.849 9.457 15 HG2 GLN 3 HG2 GLN 3 0.431 20.593 9.199 16 HG3 GLN 3 HG1 GLN 3 1.049 20.786 10.836 17 HE21 GLN 3 HE21 GLN 3 2.834 21.680 7.957 18 HE22 GLN 3 HE22 GLN 3 2.769 23.388 8.219 19 H THR 4 H THR 4 4.871 18.542 12.245 20 HA THR 4 HA THR 4 6.611 17.066 10.599 21 HB THR 4 HB THR 4 5.696 16.332 13.391 22 HG1 THR 4 HG1 THR 4 7.761 18.098 12.504 23 HG21 THR 4 HG21 THR 4 8.266 15.752 11.911 24 HG22 THR 4 HG22 THR 4 6.983 14.588 12.237 25 HG23 THR 4 HG23 THR 4 7.899 15.288 13.573 26 H THR 5 H THR 5 3.473 16.318 12.045 27 HA THR 5 HA THR 5 3.364 13.924 10.343 28 HB THR 5 HB THR 5 3.003 13.464 12.740 29 HG1 THR 5 HG1 THR 5 0.450 13.002 11.856 30 HG21 THR 5 HG21 THR 5 0.585 15.251 12.450 31 HG22 THR 5 HG22 THR 5 2.012 15.573 13.437 32 HG23 THR 5 HG23 THR 5 0.945 14.231 13.843 33 H ALA 6 H ALA 6 1.782 13.711 8.850 34 HA ALA 6 HA ALA 6 -0.384 15.611 8.632 35 HB1 ALA 6 HB1 ALA 6 0.281 16.422 6.410 36 HB2 ALA 6 HB2 ALA 6 1.801 15.538 6.544 37 HB3 ALA 6 HB3 ALA 6 1.460 16.878 7.639 38 HA PRO 7 HA PRO 7 -2.146 12.040 6.649 39 HB2 PRO 7 HB2 PRO 7 -4.161 13.195 5.254 40 HB3 PRO 7 HB1 PRO 7 -4.198 13.009 7.011 41 HG2 PRO 7 HG2 PRO 7 -3.496 15.419 5.377 42 HG3 PRO 7 HG1 PRO 7 -4.492 15.311 6.840 43 HD2 PRO 7 HD2 PRO 7 -1.905 16.125 6.886 44 HD3 PRO 7 HD1 PRO 7 -2.662 15.254 8.235 45 H ASP 8 H ASP 8 0.120 12.488 5.407 46 HA ASP 8 HA ASP 8 -0.440 12.866 2.547 47 HB2 ASP 8 HB2 ASP 8 1.480 14.081 3.691 48 HB3 ASP 8 HB1 ASP 8 2.255 12.513 3.875 49 H ALA 9 H ALA 9 0.569 10.552 4.936 50 HA ALA 9 HA ALA 9 0.828 8.446 2.919 51 HB1 ALA 9 HB1 ALA 9 2.625 8.658 4.582 52 HB2 ALA 9 HB2 ALA 9 1.802 7.103 4.681 53 HB3 ALA 9 HB3 ALA 9 1.453 8.361 5.865 54 HA PRO 10 HA PRO 10 -3.307 7.021 3.924 55 HB2 PRO 10 HB2 PRO 10 -2.330 4.478 2.779 56 HB3 PRO 10 HB1 PRO 10 -3.702 5.474 2.289 57 HG2 PRO 10 HG2 PRO 10 -1.476 5.340 0.809 58 HG3 PRO 10 HG1 PRO 10 -2.406 6.844 0.957 59 HD2 PRO 10 HD2 PRO 10 0.138 6.052 2.306 60 HD3 PRO 10 HD1 PRO 10 -0.336 7.610 1.651 61 HA PRO 11 HA PRO 11 -2.406 4.895 7.831 62 HB2 PRO 11 HB2 PRO 11 -5.339 4.457 7.585 63 HB3 PRO 11 HB1 PRO 11 -4.405 5.068 8.955 64 HG2 PRO 11 HG2 PRO 11 -5.876 6.708 7.453 65 HG3 PRO 11 HG1 PRO 11 -4.304 7.215 8.094 66 HD2 PRO 11 HD2 PRO 11 -5.049 6.399 5.327 67 HD3 PRO 11 HD1 PRO 11 -3.873 7.612 5.870 68 H ASP 12 H ASP 12 -2.786 2.711 8.628 69 HA ASP 12 HA ASP 12 -2.128 0.781 6.754 70 HB2 ASP 12 HB2 ASP 12 -2.496 -0.880 8.527 71 HB3 ASP 12 HB1 ASP 12 -1.600 0.513 9.115 72 HA PRO 13 HA PRO 13 -6.079 0.055 4.836 73 HB2 PRO 13 HB2 PRO 13 -4.679 -2.216 3.594 74 HB3 PRO 13 HB1 PRO 13 -5.452 -0.823 2.836 75 HG2 PRO 13 HG2 PRO 13 -2.784 -1.092 2.897 76 HG3 PRO 13 HG1 PRO 13 -3.567 0.494 3.024 77 HD2 PRO 13 HD2 PRO 13 -2.384 -1.213 5.179 78 HD3 PRO 13 HD1 PRO 13 -2.295 0.546 4.952 79 H THR 14 H THR 14 -7.746 -1.404 5.032 80 HA THR 14 HA THR 14 -7.326 -3.523 7.004 81 HB THR 14 HB THR 14 -9.917 -3.513 6.972 82 HG1 THR 14 HG1 THR 14 -10.788 -1.506 6.286 83 HG21 THR 14 HG21 THR 14 -8.588 -2.697 8.846 84 HG22 THR 14 HG22 THR 14 -9.974 -1.642 8.569 85 HG23 THR 14 HG23 THR 14 -8.367 -1.147 8.034 86 H VAL 15 H VAL 15 -7.514 -5.596 6.522 87 HA VAL 15 HA VAL 15 -8.133 -6.361 3.773 88 HB VAL 15 HB VAL 15 -6.868 -7.858 6.074 89 HG11 VAL 15 HG11 VAL 15 -6.487 -9.702 4.492 90 HG12 VAL 15 HG12 VAL 15 -7.491 -8.871 3.304 91 HG13 VAL 15 HG13 VAL 15 -8.201 -9.439 4.815 92 HG21 VAL 15 HG21 VAL 15 -5.442 -6.212 4.968 93 HG22 VAL 15 HG22 VAL 15 -5.774 -6.967 3.408 94 HG23 VAL 15 HG23 VAL 15 -4.887 -7.856 4.647 95 H ASP 16 H ASP 16 -10.109 -7.073 3.268 96 HA ASP 16 HA ASP 16 -11.866 -8.012 5.411 97 HB2 ASP 16 HB2 ASP 16 -12.487 -7.313 2.540 98 HB3 ASP 16 HB1 ASP 16 -13.669 -7.872 3.719 99 H GLN 17 H GLN 17 -13.556 -9.680 4.400 100 HA GLN 17 HA GLN 17 -12.015 -11.896 3.235 101 HB2 GLN 17 HB2 GLN 17 -13.305 -13.391 4.835 102 HB3 GLN 17 HB1 GLN 17 -12.050 -12.409 5.540 103 HG2 GLN 17 HG2 GLN 17 -13.847 -10.736 6.115 104 HG3 GLN 17 HG1 GLN 17 -15.008 -11.984 5.672 105 HE21 GLN 17 HE21 GLN 17 -14.429 -10.649 8.206 106 HE22 GLN 17 HE22 GLN 17 -14.096 -11.914 9.342 107 H VAL 18 H VAL 18 -13.185 -11.011 1.326 108 HA VAL 18 HA VAL 18 -16.035 -11.434 1.220 109 HB VAL 18 HB VAL 18 -14.077 -10.731 -0.977 110 HG11 VAL 18 HG11 VAL 18 -16.048 -11.824 -1.898 111 HG12 VAL 18 HG12 VAL 18 -16.063 -10.102 -2.279 112 HG13 VAL 18 HG13 VAL 18 -17.095 -10.728 -0.995 113 HG21 VAL 18 HG21 VAL 18 -15.015 -8.478 -0.758 114 HG22 VAL 18 HG22 VAL 18 -14.255 -9.015 0.740 115 HG23 VAL 18 HG23 VAL 18 -16.012 -9.027 0.588 116 H ASP 19 H ASP 19 -13.193 -12.879 -0.374 117 HA ASP 19 HA ASP 19 -14.856 -15.221 -1.014 118 HB2 ASP 19 HB2 ASP 19 -13.463 -13.852 -2.794 119 HB3 ASP 19 HB1 ASP 19 -12.123 -14.802 -2.157 120 H ASP 20 H ASP 20 -13.019 -17.207 -1.255 121 HA ASP 20 HA ASP 20 -12.282 -17.583 1.525 122 HB2 ASP 20 HB2 ASP 20 -11.735 -19.886 0.917 123 HB3 ASP 20 HB1 ASP 20 -13.331 -19.456 0.323 124 H THR 21 H THR 21 -10.706 -17.155 -1.577 125 HA THR 21 HA THR 21 -8.149 -16.844 -0.154 126 HB THR 21 HB THR 21 -7.205 -17.537 -2.522 127 HG1 THR 21 HG1 THR 21 -9.641 -19.027 -2.402 128 HG21 THR 21 HG21 THR 21 -7.044 -19.856 -1.732 129 HG22 THR 21 HG22 THR 21 -8.293 -19.532 -0.529 130 HG23 THR 21 HG23 THR 21 -6.737 -18.709 -0.428 131 H SER 22 H SER 22 -10.275 -14.921 -1.094 132 HA SER 22 HA SER 22 -8.430 -13.096 -2.431 133 HB2 SER 22 HB2 SER 22 -11.319 -13.390 -3.288 134 HB3 SER 22 HB1 SER 22 -10.111 -12.324 -3.995 135 HG SER 22 HG SER 22 -10.454 -14.288 -5.188 136 H ILE 23 H ILE 23 -8.473 -11.094 -1.609 137 HA ILE 23 HA ILE 23 -10.472 -10.562 0.503 138 HB ILE 23 HB ILE 23 -8.828 -9.318 1.717 139 HG12 ILE 23 HG12 ILE 23 -6.746 -9.889 -0.380 140 HG13 ILE 23 HG11 ILE 23 -7.785 -8.478 -0.513 141 HG21 ILE 23 HG21 ILE 23 -8.723 -11.733 2.041 142 HG22 ILE 23 HG22 ILE 23 -7.121 -11.012 2.191 143 HG23 ILE 23 HG23 ILE 23 -7.567 -11.870 0.717 144 HD11 ILE 23 HD11 ILE 23 -5.808 -9.094 1.659 145 HD12 ILE 23 HD12 ILE 23 -6.982 -7.779 1.739 146 HD13 ILE 23 HD13 ILE 23 -5.754 -7.785 0.474 147 H VAL 24 H VAL 24 -10.839 -8.230 0.905 148 HA VAL 24 HA VAL 24 -10.196 -6.534 -1.409 149 HB VAL 24 HB VAL 24 -12.570 -6.265 0.454 150 HG11 VAL 24 HG11 VAL 24 -13.238 -4.389 -0.975 151 HG12 VAL 24 HG12 VAL 24 -11.742 -4.557 -1.894 152 HG13 VAL 24 HG13 VAL 24 -11.686 -4.082 -0.197 153 HG21 VAL 24 HG21 VAL 24 -13.899 -6.670 -1.579 154 HG22 VAL 24 HG22 VAL 24 -12.874 -8.046 -1.167 155 HG23 VAL 24 HG23 VAL 24 -12.410 -6.961 -2.477 156 H VAL 25 H VAL 25 -8.474 -5.419 -0.852 157 HA VAL 25 HA VAL 25 -8.060 -4.650 1.924 158 HB VAL 25 HB VAL 25 -6.114 -5.584 0.916 159 HG11 VAL 25 HG11 VAL 25 -6.600 -5.419 -1.396 160 HG12 VAL 25 HG12 VAL 25 -5.070 -4.586 -1.114 161 HG13 VAL 25 HG13 VAL 25 -6.551 -3.655 -1.345 162 HG21 VAL 25 HG21 VAL 25 -4.480 -3.758 1.009 163 HG22 VAL 25 HG22 VAL 25 -5.627 -3.703 2.348 164 HG23 VAL 25 HG23 VAL 25 -5.802 -2.591 0.991 165 H ARG 26 H ARG 26 -8.779 -2.799 2.640 166 HA ARG 26 HA ARG 26 -9.319 -0.637 0.713 167 HB2 ARG 26 HB2 ARG 26 -10.612 -1.282 3.364 168 HB3 ARG 26 HB1 ARG 26 -10.965 0.158 2.419 169 HG2 ARG 26 HG2 ARG 26 -11.853 -1.171 0.629 170 HG3 ARG 26 HG1 ARG 26 -11.362 -2.658 1.439 171 HD2 ARG 26 HD2 ARG 26 -13.292 -0.672 2.609 172 HD3 ARG 26 HD1 ARG 26 -13.788 -2.076 1.668 173 HE ARG 26 HE ARG 26 -12.766 -3.471 3.392 174 HH11 ARG 26 HH11 ARG 26 -13.514 -0.145 4.212 175 HH12 ARG 26 HH12 ARG 26 -13.564 -0.448 5.920 176 HH21 ARG 26 HH21 ARG 26 -12.830 -3.876 5.618 177 HH22 ARG 26 HH22 ARG 26 -13.177 -2.575 6.725 178 H TRP 27 H TRP 27 -8.209 1.179 0.888 179 HA TRP 27 HA TRP 27 -6.793 1.715 3.418 180 HB2 TRP 27 HB2 TRP 27 -5.074 2.884 2.000 181 HB3 TRP 27 HB1 TRP 27 -5.148 1.141 1.766 182 HD1 TRP 27 HD1 TRP 27 -6.172 4.419 -0.006 183 HE1 TRP 27 HE1 TRP 27 -6.355 3.941 -2.531 184 HE3 TRP 27 HE3 TRP 27 -5.432 -0.641 0.062 185 HZ2 TRP 27 HZ2 TRP 27 -6.194 1.724 -4.258 186 HZ3 TRP 27 HZ3 TRP 27 -5.458 -1.864 -2.072 187 HH2 TRP 27 HH2 TRP 27 -5.832 -0.703 -4.186 188 H SER 28 H SER 28 -6.657 3.886 4.093 189 HA SER 28 HA SER 28 -8.617 5.662 2.855 190 HB2 SER 28 HB2 SER 28 -7.118 5.865 5.477 191 HB3 SER 28 HB1 SER 28 -8.271 7.063 4.891 192 HG SER 28 HG SER 28 -8.883 5.080 6.356 193 H ARG 29 H ARG 29 -7.890 6.941 1.300 194 HA ARG 29 HA ARG 29 -5.067 7.578 1.180 195 HB2 ARG 29 HB2 ARG 29 -5.537 8.432 -1.059 196 HB3 ARG 29 HB1 ARG 29 -6.120 6.791 -0.854 197 HG2 ARG 29 HG2 ARG 29 -7.809 7.844 -2.038 198 HG3 ARG 29 HG1 ARG 29 -8.396 7.873 -0.375 199 HD2 ARG 29 HD2 ARG 29 -7.657 10.151 -0.116 200 HD3 ARG 29 HD1 ARG 29 -6.952 10.139 -1.730 201 HE ARG 29 HE ARG 29 -9.670 9.494 -1.950 202 HH11 ARG 29 HH11 ARG 29 -7.677 12.249 -1.062 203 HH12 ARG 29 HH12 ARG 29 -8.825 13.406 -1.667 204 HH21 ARG 29 HH21 ARG 29 -11.163 11.031 -2.729 205 HH22 ARG 29 HH22 ARG 29 -10.790 12.722 -2.617 206 HA PRO 30 HA PRO 30 -4.904 11.708 2.762 207 HB2 PRO 30 HB2 PRO 30 -4.009 12.348 -0.025 208 HB3 PRO 30 HB1 PRO 30 -3.333 12.879 1.519 209 HG2 PRO 30 HG2 PRO 30 -2.193 10.910 0.129 210 HG3 PRO 30 HG1 PRO 30 -2.265 10.865 1.900 211 HD2 PRO 30 HD2 PRO 30 -3.763 9.267 -0.086 212 HD3 PRO 30 HD1 PRO 30 -3.358 8.888 1.591 213 H1 MET 31 HT1 MET 31 -15.106 28.779 -6.852 214 H2 MET 31 HT2 MET 31 -14.142 29.879 -7.696 215 H3 MET 31 HT3 MET 31 -13.867 29.601 -6.051 216 HA MET 31 HA MET 31 -13.579 27.575 -8.179 217 HB2 MET 31 HB2 MET 31 -11.118 27.781 -7.684 218 HB3 MET 31 HB1 MET 31 -11.830 29.146 -8.526 219 HG2 MET 31 HG2 MET 31 -11.913 30.398 -6.435 220 HG3 MET 31 HG1 MET 31 -11.207 29.025 -5.584 221 HE1 MET 31 HE1 MET 31 -8.268 31.617 -5.608 222 HE2 MET 31 HE2 MET 31 -9.323 30.613 -4.614 223 HE3 MET 31 HE3 MET 31 -9.985 31.997 -5.482 224 H ARG 32 H ARG 32 -13.655 25.586 -7.449 225 HA ARG 32 HA ARG 32 -13.828 25.208 -4.560 226 HB2 ARG 32 HB2 ARG 32 -14.812 22.988 -5.182 227 HB3 ARG 32 HB1 ARG 32 -15.721 24.383 -5.742 228 HG2 ARG 32 HG2 ARG 32 -14.803 24.100 -7.979 229 HG3 ARG 32 HG1 ARG 32 -13.847 22.727 -7.421 230 HD2 ARG 32 HD2 ARG 32 -16.856 22.915 -7.463 231 HD3 ARG 32 HD1 ARG 32 -15.855 21.962 -8.557 232 HE ARG 32 HE ARG 32 -15.175 21.062 -6.075 233 HH11 ARG 32 HH11 ARG 32 -18.161 21.336 -7.879 234 HH12 ARG 32 HH12 ARG 32 -18.934 20.026 -7.045 235 HH21 ARG 32 HH21 ARG 32 -16.184 19.319 -4.989 236 HH22 ARG 32 HH22 ARG 32 -17.807 18.873 -5.411 237 H GLY 33 H GLY 33 -11.535 25.341 -4.215 238 HA2 GLY 33 HA2 GLY 33 -9.539 24.345 -3.690 239 HA3 GLY 33 HA1 GLY 33 -10.369 22.808 -3.881 240 H SER 34 H SER 34 -9.870 25.271 -6.351 241 HA SER 34 HA SER 34 -8.275 23.299 -7.849 242 HB2 SER 34 HB2 SER 34 -10.529 23.836 -8.810 243 HB3 SER 34 HB1 SER 34 -9.999 25.505 -9.000 244 HG SER 34 HG SER 34 -8.982 24.950 -10.745 245 H ASN 35 H ASN 35 -8.107 26.158 -6.193 246 HA ASN 35 HA ASN 35 -6.382 27.668 -7.890 247 HB2 ASN 35 HB2 ASN 35 -7.676 28.742 -6.100 248 HB3 ASN 35 HB1 ASN 35 -6.786 27.819 -4.892 249 HD21 ASN 35 HD21 ASN 35 -5.944 29.583 -3.858 250 HD22 ASN 35 HD22 ASN 35 -4.757 30.618 -4.569 251 H ALA 36 H ALA 36 -5.699 26.055 -4.799 252 HA ALA 36 HA ALA 36 -2.901 25.800 -5.628 253 HB1 ALA 36 HB1 ALA 36 -2.432 25.420 -3.259 254 HB2 ALA 36 HB2 ALA 36 -4.157 25.521 -2.899 255 HB3 ALA 36 HB3 ALA 36 -3.298 26.937 -3.509 256 HA PRO 37 HA PRO 37 -3.568 21.431 -6.207 257 HB2 PRO 37 HB2 PRO 37 -0.968 20.722 -6.481 258 HB3 PRO 37 HB1 PRO 37 -1.874 21.539 -7.759 259 HG2 PRO 37 HG2 PRO 37 0.058 22.675 -5.780 260 HG3 PRO 37 HG1 PRO 37 -0.109 23.028 -7.509 261 HD2 PRO 37 HD2 PRO 37 -1.107 24.640 -5.562 262 HD3 PRO 37 HD1 PRO 37 -1.847 24.492 -7.169 263 H GLN 38 H GLN 38 -4.290 21.432 -3.909 264 HA GLN 38 HA GLN 38 -2.566 21.013 -1.749 265 HB2 GLN 38 HB2 GLN 38 -4.553 20.060 -0.609 266 HB3 GLN 38 HB1 GLN 38 -4.869 21.606 -1.379 267 HG2 GLN 38 HG2 GLN 38 -5.924 20.442 -3.257 268 HG3 GLN 38 HG1 GLN 38 -5.620 18.899 -2.460 269 HE21 GLN 38 HE21 GLN 38 -6.185 20.034 0.199 270 HE22 GLN 38 HE22 GLN 38 -7.906 20.177 0.280 271 HA PRO 39 HA PRO 39 -1.096 16.914 -2.480 272 HB2 PRO 39 HB2 PRO 39 -0.100 16.388 -0.019 273 HB3 PRO 39 HB1 PRO 39 0.675 17.512 -1.140 274 HG2 PRO 39 HG2 PRO 39 -1.105 18.088 1.192 275 HG3 PRO 39 HG1 PRO 39 0.381 18.914 0.686 276 HD2 PRO 39 HD2 PRO 39 -2.112 19.871 0.156 277 HD3 PRO 39 HD1 PRO 39 -0.711 20.177 -0.890 278 H SER 40 H SER 40 -3.642 16.603 -2.497 279 HA SER 40 HA SER 40 -3.984 14.179 -0.933 280 HB2 SER 40 HB2 SER 40 -6.411 14.851 -0.492 281 HB3 SER 40 HB1 SER 40 -5.186 15.667 0.475 282 HG SER 40 HG SER 40 -6.823 16.659 -1.553 283 H HIS 41 H HIS 41 -3.230 14.339 -3.501 284 HA HIS 41 HA HIS 41 -5.545 13.261 -4.916 285 HB2 HIS 41 HB2 HIS 41 -5.237 15.734 -5.484 286 HB3 HIS 41 HB1 HIS 41 -3.724 15.269 -6.250 287 HD1 HIS 41 HD1 HIS 41 -5.661 16.549 -8.065 288 HD2 HIS 41 HD2 HIS 41 -5.771 12.460 -7.310 289 HE1 HIS 41 HE1 HIS 41 -6.865 15.529 -10.024 290 HE2 HIS 41 HE2 HIS 41 -6.931 13.057 -9.543 291 H ILE 42 H ILE 42 -4.817 11.245 -5.103 292 HA ILE 42 HA ILE 42 -2.001 10.743 -5.650 293 HB ILE 42 HB ILE 42 -4.236 8.814 -4.981 294 HG12 ILE 42 HG12 ILE 42 -2.822 8.555 -2.847 295 HG13 ILE 42 HG11 ILE 42 -2.037 10.053 -3.325 296 HG21 ILE 42 HG21 ILE 42 -2.538 7.734 -6.333 297 HG22 ILE 42 HG22 ILE 42 -2.457 7.153 -4.669 298 HG23 ILE 42 HG23 ILE 42 -1.275 8.326 -5.254 299 HD11 ILE 42 HD11 ILE 42 -4.195 11.200 -3.241 300 HD12 ILE 42 HD12 ILE 42 -3.777 10.464 -1.696 301 HD13 ILE 42 HD13 ILE 42 -4.968 9.695 -2.745 302 H SER 43 H SER 43 -1.240 9.813 -7.499 303 HA SER 43 HA SER 43 -3.004 9.952 -9.797 304 HB2 SER 43 HB2 SER 43 -0.708 10.934 -9.837 305 HB3 SER 43 HB1 SER 43 -0.048 9.307 -9.683 306 HG SER 43 HG SER 43 -1.639 10.320 -11.808 307 H LYS 44 H LYS 44 -1.285 7.555 -7.903 308 HA LYS 44 HA LYS 44 -2.976 5.467 -8.833 309 HB2 LYS 44 HB2 LYS 44 -1.156 4.033 -9.771 310 HB3 LYS 44 HB1 LYS 44 -1.547 5.430 -10.762 311 HG2 LYS 44 HG2 LYS 44 0.411 6.604 -9.788 312 HG3 LYS 44 HG1 LYS 44 0.826 5.110 -8.938 313 HD2 LYS 44 HD2 LYS 44 1.142 3.946 -11.003 314 HD3 LYS 44 HD1 LYS 44 0.510 5.310 -11.926 315 HE2 LYS 44 HE2 LYS 44 2.402 6.674 -11.241 316 HE3 LYS 44 HE1 LYS 44 3.020 5.350 -10.255 317 HZ1 LYS 44 HZ1 LYS 44 4.115 5.562 -12.443 318 HZ2 LYS 44 HZ2 LYS 44 2.644 5.200 -13.196 319 HZ3 LYS 44 HZ3 LYS 44 3.394 4.052 -12.207 320 H TYR 45 H TYR 45 -2.899 3.675 -7.531 321 HA TYR 45 HA TYR 45 -1.117 3.869 -5.190 322 HB2 TYR 45 HB2 TYR 45 -3.689 2.286 -5.417 323 HB3 TYR 45 HB1 TYR 45 -2.769 2.616 -3.957 324 HD1 TYR 45 HD1 TYR 45 -5.104 3.989 -6.417 325 HD2 TYR 45 HD2 TYR 45 -2.940 4.765 -2.839 326 HE1 TYR 45 HE1 TYR 45 -6.503 5.966 -6.010 327 HE2 TYR 45 HE2 TYR 45 -4.335 6.749 -2.422 328 HH TYR 45 HH TYR 45 -7.217 7.348 -4.037 329 H ILE 46 H ILE 46 0.451 2.373 -5.064 330 HA ILE 46 HA ILE 46 0.247 0.048 -6.840 331 HB ILE 46 HB ILE 46 2.618 1.407 -5.575 332 HG12 ILE 46 HG12 ILE 46 3.408 1.356 -7.981 333 HG13 ILE 46 HG11 ILE 46 1.808 0.774 -8.418 334 HG21 ILE 46 HG21 ILE 46 2.628 -1.267 -6.967 335 HG22 ILE 46 HG22 ILE 46 2.933 -0.984 -5.252 336 HG23 ILE 46 HG23 ILE 46 4.052 -0.357 -6.461 337 HD11 ILE 46 HD11 ILE 46 0.832 2.836 -7.527 338 HD12 ILE 46 HD12 ILE 46 2.000 3.152 -8.811 339 HD13 ILE 46 HD13 ILE 46 2.448 3.412 -7.127 340 H LEU 47 H LEU 47 -0.310 -1.818 -6.014 341 HA LEU 47 HA LEU 47 0.022 -2.282 -3.124 342 HB2 LEU 47 HB2 LEU 47 -2.266 -2.402 -4.422 343 HB3 LEU 47 HB1 LEU 47 -1.678 -3.964 -4.941 344 HG LEU 47 HG LEU 47 -3.170 -4.271 -3.090 345 HD11 LEU 47 HD11 LEU 47 -1.357 -5.816 -3.098 346 HD12 LEU 47 HD12 LEU 47 -1.711 -5.372 -1.429 347 HD13 LEU 47 HD13 LEU 47 -0.313 -4.677 -2.250 348 HD21 LEU 47 HD21 LEU 47 -2.781 -3.300 -0.890 349 HD22 LEU 47 HD22 LEU 47 -3.033 -2.052 -2.112 350 HD23 LEU 47 HD23 LEU 47 -1.405 -2.397 -1.526 351 H ARG 48 H ARG 48 1.777 -3.463 -2.672 352 HA ARG 48 HA ARG 48 2.506 -5.642 -4.530 353 HB2 ARG 48 HB2 ARG 48 4.396 -4.144 -2.707 354 HB3 ARG 48 HB1 ARG 48 4.825 -5.356 -3.902 355 HG2 ARG 48 HG2 ARG 48 4.070 -3.848 -5.684 356 HG3 ARG 48 HG1 ARG 48 3.690 -2.629 -4.466 357 HD2 ARG 48 HD2 ARG 48 6.404 -3.784 -5.085 358 HD3 ARG 48 HD1 ARG 48 5.845 -2.149 -5.435 359 HE ARG 48 HE ARG 48 5.552 -2.238 -2.791 360 HH11 ARG 48 HH11 ARG 48 8.214 -3.207 -4.829 361 HH12 ARG 48 HH12 ARG 48 9.425 -2.915 -3.622 362 HH21 ARG 48 HH21 ARG 48 7.158 -1.850 -1.172 363 HH22 ARG 48 HH22 ARG 48 8.825 -2.139 -1.552 364 H TRP 49 H TRP 49 2.521 -7.657 -3.663 365 HA TRP 49 HA TRP 49 2.805 -7.859 -0.755 366 HB2 TRP 49 HB2 TRP 49 1.027 -9.490 -0.567 367 HB3 TRP 49 HB1 TRP 49 0.400 -8.005 -1.262 368 HD1 TRP 49 HD1 TRP 49 0.699 -11.684 -1.905 369 HE1 TRP 49 HE1 TRP 49 -0.450 -12.276 -4.128 370 HE3 TRP 49 HE3 TRP 49 0.006 -6.965 -3.732 371 HZ2 TRP 49 HZ2 TRP 49 -1.505 -10.916 -6.369 372 HZ3 TRP 49 HZ3 TRP 49 -1.086 -6.694 -5.920 373 HH2 TRP 49 HH2 TRP 49 -1.825 -8.627 -7.208 374 H ARG 50 H ARG 50 3.977 -9.504 -0.017 375 HA ARG 50 HA ARG 50 5.024 -11.424 -1.993 376 HB2 ARG 50 HB2 ARG 50 6.726 -9.745 -1.391 377 HB3 ARG 50 HB1 ARG 50 6.517 -10.145 0.307 378 HG2 ARG 50 HG2 ARG 50 7.279 -12.445 -0.177 379 HG3 ARG 50 HG1 ARG 50 7.581 -11.959 -1.847 380 HD2 ARG 50 HD2 ARG 50 9.651 -11.866 -0.646 381 HD3 ARG 50 HD1 ARG 50 9.134 -10.216 -0.993 382 HE ARG 50 HE ARG 50 8.227 -11.040 1.569 383 HH11 ARG 50 HH11 ARG 50 11.080 -9.947 -0.141 384 HH12 ARG 50 HH12 ARG 50 11.860 -9.351 1.285 385 HH21 ARG 50 HH21 ARG 50 9.246 -10.260 3.456 386 HH22 ARG 50 HH22 ARG 50 10.822 -9.524 3.329 387 HA PRO 51 HA PRO 51 3.480 -14.375 1.048 388 HB2 PRO 51 HB2 PRO 51 4.865 -16.308 -0.678 389 HB3 PRO 51 HB1 PRO 51 3.154 -16.219 -0.255 390 HG2 PRO 51 HG2 PRO 51 4.069 -15.636 -2.729 391 HG3 PRO 51 HG1 PRO 51 2.653 -14.840 -2.023 392 HD2 PRO 51 HD2 PRO 51 5.444 -13.829 -2.327 393 HD3 PRO 51 HD1 PRO 51 3.901 -12.962 -2.483 394 H LYS 52 H LYS 52 4.529 -15.207 2.804 395 HA LYS 52 HA LYS 52 7.247 -14.602 3.217 396 HB2 LYS 52 HB2 LYS 52 5.129 -15.978 4.742 397 HB3 LYS 52 HB1 LYS 52 6.779 -16.402 5.174 398 HG2 LYS 52 HG2 LYS 52 5.725 -13.585 5.072 399 HG3 LYS 52 HG1 LYS 52 5.832 -14.565 6.536 400 HD2 LYS 52 HD2 LYS 52 8.262 -14.777 6.192 401 HD3 LYS 52 HD1 LYS 52 8.137 -13.754 4.761 402 HE2 LYS 52 HE2 LYS 52 8.892 -12.435 6.630 403 HE3 LYS 52 HE1 LYS 52 7.264 -11.937 6.175 404 HZ1 LYS 52 HZ1 LYS 52 7.949 -13.733 8.437 405 HZ2 LYS 52 HZ2 LYS 52 6.390 -13.243 8.006 406 HZ3 LYS 52 HZ3 LYS 52 7.506 -12.106 8.566 407 H ASN 53 H ASN 53 5.742 -17.319 1.774 408 HA ASN 53 HA ASN 53 7.989 -19.086 2.084 409 HB2 ASN 53 HB2 ASN 53 6.807 -20.480 0.377 410 HB3 ASN 53 HB1 ASN 53 5.821 -20.093 1.782 411 HD21 ASN 53 HD21 ASN 53 6.300 -19.568 -1.619 412 HD22 ASN 53 HD22 ASN 53 4.778 -18.793 -1.910 413 H SER 54 H SER 54 7.398 -16.367 0.244 414 HA SER 54 HA SER 54 9.338 -17.152 -1.820 415 HB2 SER 54 HB2 SER 54 7.545 -14.709 -1.730 416 HB3 SER 54 HB1 SER 54 8.519 -15.253 -3.096 417 HG SER 54 HG SER 54 6.829 -17.182 -2.151 418 H VAL 55 H VAL 55 11.358 -16.341 -1.699 419 HA VAL 55 HA VAL 55 12.003 -14.757 0.618 420 HB VAL 55 HB VAL 55 14.357 -15.032 -0.062 421 HG11 VAL 55 HG11 VAL 55 14.473 -17.445 0.287 422 HG12 VAL 55 HG12 VAL 55 12.755 -17.584 -0.083 423 HG13 VAL 55 HG13 VAL 55 13.279 -16.700 1.350 424 HG21 VAL 55 HG21 VAL 55 14.096 -15.046 -2.479 425 HG22 VAL 55 HG22 VAL 55 13.211 -16.569 -2.390 426 HG23 VAL 55 HG23 VAL 55 14.914 -16.512 -1.941 427 H GLY 56 H GLY 56 11.838 -14.198 -2.866 428 HA2 GLY 56 HA2 GLY 56 12.370 -11.367 -2.336 429 HA3 GLY 56 HA1 GLY 56 13.448 -12.200 -3.435 430 H ARG 57 H ARG 57 10.190 -13.240 -3.554 431 HA ARG 57 HA ARG 57 9.865 -11.668 -6.009 432 HB2 ARG 57 HB2 ARG 57 8.597 -14.280 -5.221 433 HB3 ARG 57 HB1 ARG 57 8.106 -13.312 -6.609 434 HG2 ARG 57 HG2 ARG 57 10.867 -14.437 -6.196 435 HG3 ARG 57 HG1 ARG 57 9.616 -15.166 -7.207 436 HD2 ARG 57 HD2 ARG 57 9.542 -13.078 -8.536 437 HD3 ARG 57 HD1 ARG 57 10.880 -12.454 -7.575 438 HE ARG 57 HE ARG 57 11.739 -14.875 -8.568 439 HH11 ARG 57 HH11 ARG 57 10.606 -11.845 -9.897 440 HH12 ARG 57 HH12 ARG 57 11.561 -11.965 -11.341 441 HH21 ARG 57 HH21 ARG 57 12.989 -15.056 -10.479 442 HH22 ARG 57 HH22 ARG 57 12.917 -13.797 -11.670 443 H TRP 58 H TRP 58 8.745 -9.976 -5.762 444 HA TRP 58 HA TRP 58 6.464 -9.880 -3.934 445 HB2 TRP 58 HB2 TRP 58 7.947 -7.708 -5.424 446 HB3 TRP 58 HB1 TRP 58 6.472 -7.418 -4.509 447 HD1 TRP 58 HD1 TRP 58 10.170 -8.313 -4.013 448 HE1 TRP 58 HE1 TRP 58 10.803 -7.842 -1.562 449 HE3 TRP 58 HE3 TRP 58 5.525 -7.213 -2.182 450 HZ2 TRP 58 HZ2 TRP 58 9.494 -7.109 0.832 451 HZ3 TRP 58 HZ3 TRP 58 5.301 -6.641 0.200 452 HH2 TRP 58 HH2 TRP 58 7.247 -6.591 1.674 453 H LYS 59 H LYS 59 4.393 -9.807 -4.662 454 HA LYS 59 HA LYS 59 3.990 -9.782 -7.566 455 HB2 LYS 59 HB2 LYS 59 1.986 -10.359 -5.374 456 HB3 LYS 59 HB1 LYS 59 1.755 -10.608 -7.101 457 HG2 LYS 59 HG2 LYS 59 3.585 -12.273 -7.063 458 HG3 LYS 59 HG1 LYS 59 3.684 -12.075 -5.313 459 HD2 LYS 59 HD2 LYS 59 2.371 -14.029 -5.812 460 HD3 LYS 59 HD1 LYS 59 1.315 -12.784 -5.148 461 HE2 LYS 59 HE2 LYS 59 0.486 -12.237 -7.324 462 HE3 LYS 59 HE1 LYS 59 1.677 -13.283 -8.094 463 HZ1 LYS 59 HZ1 LYS 59 0.610 -15.190 -7.106 464 HZ2 LYS 59 HZ2 LYS 59 -0.517 -14.299 -7.996 465 HZ3 LYS 59 HZ3 LYS 59 -0.507 -14.202 -6.309 466 H GLU 60 H GLU 60 3.021 -8.081 -8.580 467 HA GLU 60 HA GLU 60 2.448 -5.775 -6.836 468 HB2 GLU 60 HB2 GLU 60 3.872 -5.710 -9.498 469 HB3 GLU 60 HB1 GLU 60 3.593 -4.346 -8.423 470 HG2 GLU 60 HG2 GLU 60 5.054 -5.291 -6.764 471 HG3 GLU 60 HG1 GLU 60 5.248 -6.758 -7.721 472 H ALA 61 H ALA 61 0.720 -4.569 -7.271 473 HA ALA 61 HA ALA 61 -0.613 -4.860 -9.874 474 HB1 ALA 61 HB1 ALA 61 -1.855 -6.211 -8.278 475 HB2 ALA 61 HB2 ALA 61 -2.796 -4.790 -8.737 476 HB3 ALA 61 HB3 ALA 61 -1.971 -4.837 -7.178 477 H THR 62 H THR 62 -1.370 -2.965 -10.735 478 HA THR 62 HA THR 62 -0.813 -0.531 -9.188 479 HB THR 62 HB THR 62 -1.179 -0.806 -12.179 480 HG1 THR 62 HG1 THR 62 0.767 -1.791 -11.166 481 HG21 THR 62 HG21 THR 62 -1.732 1.425 -11.319 482 HG22 THR 62 HG22 THR 62 -0.244 1.458 -12.265 483 HG23 THR 62 HG23 THR 62 -0.170 1.499 -10.504 484 H ILE 63 H ILE 63 -2.459 0.583 -8.426 485 HA ILE 63 HA ILE 63 -5.142 0.080 -9.528 486 HB ILE 63 HB ILE 63 -4.311 0.986 -6.764 487 HG12 ILE 63 HG12 ILE 63 -5.671 -1.173 -6.204 488 HG13 ILE 63 HG11 ILE 63 -5.346 -1.600 -7.878 489 HG21 ILE 63 HG21 ILE 63 -6.667 0.936 -6.166 490 HG22 ILE 63 HG22 ILE 63 -7.089 0.537 -7.830 491 HG23 ILE 63 HG23 ILE 63 -6.369 2.102 -7.456 492 HD11 ILE 63 HD11 ILE 63 -3.731 -2.612 -6.383 493 HD12 ILE 63 HD12 ILE 63 -3.282 -1.021 -5.767 494 HD13 ILE 63 HD13 ILE 63 -2.949 -1.443 -7.447 495 HA PRO 64 HA PRO 64 -5.108 4.225 -11.234 496 HB2 PRO 64 HB2 PRO 64 -8.033 3.847 -10.729 497 HB3 PRO 64 HB1 PRO 64 -7.209 4.433 -12.182 498 HG2 PRO 64 HG2 PRO 64 -8.148 1.957 -12.092 499 HG3 PRO 64 HG1 PRO 64 -6.571 2.289 -12.835 500 HD2 PRO 64 HD2 PRO 64 -7.202 1.073 -10.186 501 HD3 PRO 64 HD1 PRO 64 -5.878 0.710 -11.309 502 H GLY 65 H GLY 65 -5.311 6.307 -10.471 503 HA2 GLY 65 HA2 GLY 65 -5.202 6.488 -7.612 504 HA3 GLY 65 HA1 GLY 65 -4.902 7.785 -8.753 505 H HIS 66 H HIS 66 -7.819 5.819 -8.243 506 HA HIS 66 HA HIS 66 -9.099 8.003 -6.846 507 HB2 HIS 66 HB2 HIS 66 -10.932 8.338 -8.322 508 HB3 HIS 66 HB1 HIS 66 -9.484 8.464 -9.306 509 HD1 HIS 66 HD1 HIS 66 -12.687 7.350 -9.736 510 HD2 HIS 66 HD2 HIS 66 -9.034 5.450 -10.268 511 HE1 HIS 66 HE1 HIS 66 -13.121 5.496 -11.376 512 HE2 HIS 66 HE2 HIS 66 -10.873 4.434 -11.772 513 H LEU 67 H LEU 67 -8.264 5.107 -6.632 514 HA LEU 67 HA LEU 67 -10.869 4.029 -5.779 515 HB2 LEU 67 HB2 LEU 67 -8.458 2.431 -6.644 516 HB3 LEU 67 HB1 LEU 67 -10.037 1.798 -6.233 517 HG LEU 67 HG LEU 67 -9.304 3.421 -8.669 518 HD11 LEU 67 HD11 LEU 67 -10.038 1.427 -9.876 519 HD12 LEU 67 HD12 LEU 67 -10.323 0.607 -8.341 520 HD13 LEU 67 HD13 LEU 67 -8.690 1.083 -8.796 521 HD21 LEU 67 HD21 LEU 67 -12.024 2.457 -7.798 522 HD22 LEU 67 HD22 LEU 67 -11.634 3.201 -9.351 523 HD23 LEU 67 HD23 LEU 67 -11.483 4.135 -7.866 524 H ASN 68 H ASN 68 -10.909 2.900 -3.791 525 HA ASN 68 HA ASN 68 -8.511 3.296 -2.124 526 HB2 ASN 68 HB2 ASN 68 -9.917 3.838 -0.217 527 HB3 ASN 68 HB1 ASN 68 -10.260 4.943 -1.541 528 HD21 ASN 68 HD21 ASN 68 -11.869 4.153 0.780 529 HD22 ASN 68 HD22 ASN 68 -13.361 3.562 0.139 530 H SER 69 H SER 69 -9.987 1.002 -3.626 531 HA SER 69 HA SER 69 -9.454 -0.960 -1.564 532 HB2 SER 69 HB2 SER 69 -11.667 -2.096 -1.992 533 HB3 SER 69 HB1 SER 69 -11.776 -0.562 -1.131 534 HG SER 69 HG SER 69 -13.155 -0.080 -2.636 535 H TYR 70 H TYR 70 -8.771 -2.895 -2.370 536 HA TYR 70 HA TYR 70 -9.119 -3.418 -5.231 537 HB2 TYR 70 HB2 TYR 70 -6.906 -2.373 -4.996 538 HB3 TYR 70 HB1 TYR 70 -6.463 -3.568 -3.782 539 HD1 TYR 70 HD1 TYR 70 -5.284 -5.447 -4.457 540 HD2 TYR 70 HD2 TYR 70 -7.644 -3.366 -7.320 541 HE1 TYR 70 HE1 TYR 70 -4.446 -6.940 -6.223 542 HE2 TYR 70 HE2 TYR 70 -6.810 -4.850 -9.092 543 HH TYR 70 HH TYR 70 -4.864 -6.289 -9.527 544 H THR 71 H THR 71 -9.275 -5.578 -5.756 545 HA THR 71 HA THR 71 -9.616 -7.382 -3.483 546 HB THR 71 HB THR 71 -10.374 -7.811 -6.380 547 HG1 THR 71 HG1 THR 71 -11.439 -6.056 -4.983 548 HG21 THR 71 HG21 THR 71 -11.825 -9.581 -5.478 549 HG22 THR 71 HG22 THR 71 -11.190 -9.272 -3.861 550 HG23 THR 71 HG23 THR 71 -10.126 -9.894 -5.123 551 H ILE 72 H ILE 72 -7.652 -8.191 -2.940 552 HA ILE 72 HA ILE 72 -5.797 -9.093 -4.981 553 HB ILE 72 HB ILE 72 -5.581 -9.525 -1.998 554 HG12 ILE 72 HG12 ILE 72 -4.469 -7.250 -3.657 555 HG13 ILE 72 HG11 ILE 72 -5.782 -7.116 -2.491 556 HG21 ILE 72 HG21 ILE 72 -4.146 -10.953 -3.340 557 HG22 ILE 72 HG22 ILE 72 -3.185 -9.748 -2.482 558 HG23 ILE 72 HG23 ILE 72 -3.522 -9.545 -4.201 559 HD11 ILE 72 HD11 ILE 72 -4.179 -7.875 -0.733 560 HD12 ILE 72 HD12 ILE 72 -3.802 -6.312 -1.454 561 HD13 ILE 72 HD13 ILE 72 -2.897 -7.749 -1.937 562 H LYS 73 H LYS 73 -5.789 -11.075 -5.798 563 HA LYS 73 HA LYS 73 -7.418 -13.125 -4.462 564 HB2 LYS 73 HB2 LYS 73 -6.555 -12.937 -7.359 565 HB3 LYS 73 HB1 LYS 73 -7.596 -14.178 -6.675 566 HG2 LYS 73 HG2 LYS 73 -9.299 -12.540 -6.184 567 HG3 LYS 73 HG1 LYS 73 -8.245 -11.238 -6.736 568 HD2 LYS 73 HD2 LYS 73 -8.255 -12.181 -8.990 569 HD3 LYS 73 HD1 LYS 73 -9.295 -13.495 -8.438 570 HE2 LYS 73 HE2 LYS 73 -11.031 -11.874 -7.850 571 HE3 LYS 73 HE1 LYS 73 -9.990 -10.559 -8.395 572 HZ1 LYS 73 HZ1 LYS 73 -11.615 -11.158 -10.073 573 HZ2 LYS 73 HZ2 LYS 73 -11.047 -12.750 -10.100 574 HZ3 LYS 73 HZ3 LYS 73 -10.050 -11.489 -10.625 575 H GLY 74 H GLY 74 -6.595 -15.251 -4.280 576 HA2 GLY 74 HA2 GLY 74 -4.942 -16.916 -4.439 577 HA3 GLY 74 HA1 GLY 74 -3.810 -15.708 -5.031 578 H LEU 75 H LEU 75 -5.648 -14.907 -2.229 579 HA LEU 75 HA LEU 75 -3.220 -15.175 -0.606 580 HB2 LEU 75 HB2 LEU 75 -5.799 -13.727 0.005 581 HB3 LEU 75 HB1 LEU 75 -4.383 -13.753 1.036 582 HG LEU 75 HG LEU 75 -4.741 -12.363 -1.604 583 HD11 LEU 75 HD11 LEU 75 -5.438 -11.199 0.424 584 HD12 LEU 75 HD12 LEU 75 -4.049 -10.420 -0.329 585 HD13 LEU 75 HD13 LEU 75 -3.829 -11.421 1.106 586 HD21 LEU 75 HD21 LEU 75 -2.144 -12.860 -0.147 587 HD22 LEU 75 HD22 LEU 75 -2.360 -11.774 -1.518 588 HD23 LEU 75 HD23 LEU 75 -2.594 -13.509 -1.723 589 H LYS 76 H LYS 76 -3.025 -16.777 0.802 590 HA LYS 76 HA LYS 76 -5.359 -18.493 1.235 591 HB2 LYS 76 HB2 LYS 76 -2.427 -19.113 1.627 592 HB3 LYS 76 HB1 LYS 76 -3.759 -20.259 1.733 593 HG2 LYS 76 HG2 LYS 76 -4.235 -19.940 -0.634 594 HG3 LYS 76 HG1 LYS 76 -2.917 -18.769 -0.745 595 HD2 LYS 76 HD2 LYS 76 -1.334 -20.523 -0.056 596 HD3 LYS 76 HD1 LYS 76 -2.661 -21.683 -0.015 597 HE2 LYS 76 HE2 LYS 76 -3.065 -21.250 -2.410 598 HE3 LYS 76 HE1 LYS 76 -1.669 -20.174 -2.425 599 HZ1 LYS 76 HZ1 LYS 76 -0.289 -22.056 -1.762 600 HZ2 LYS 76 HZ2 LYS 76 -1.066 -22.346 -3.232 601 HZ3 LYS 76 HZ3 LYS 76 -1.634 -23.078 -1.817 602 HA PRO 77 HA PRO 77 -5.338 -17.059 5.499 603 HB2 PRO 77 HB2 PRO 77 -7.236 -19.281 5.858 604 HB3 PRO 77 HB1 PRO 77 -7.455 -17.559 6.176 605 HG2 PRO 77 HG2 PRO 77 -8.663 -18.788 4.115 606 HG3 PRO 77 HG1 PRO 77 -8.109 -17.108 4.015 607 HD2 PRO 77 HD2 PRO 77 -6.865 -19.586 2.901 608 HD3 PRO 77 HD1 PRO 77 -6.976 -17.962 2.194 609 H GLY 78 H GLY 78 -3.706 -17.650 6.742 610 HA2 GLY 78 HA2 GLY 78 -2.868 -19.319 8.341 611 HA3 GLY 78 HA1 GLY 78 -3.161 -20.535 7.100 612 H VAL 79 H VAL 79 -2.218 -18.505 5.078 613 HA VAL 79 HA VAL 79 0.659 -18.977 5.409 614 HB VAL 79 HB VAL 79 -0.886 -18.121 2.946 615 HG11 VAL 79 HG11 VAL 79 1.424 -17.356 2.888 616 HG12 VAL 79 HG12 VAL 79 1.160 -18.656 1.724 617 HG13 VAL 79 HG13 VAL 79 1.982 -18.993 3.246 618 HG21 VAL 79 HG21 VAL 79 -1.457 -20.397 3.585 619 HG22 VAL 79 HG22 VAL 79 0.255 -20.813 3.669 620 HG23 VAL 79 HG23 VAL 79 -0.471 -20.385 2.121 621 H VAL 80 H VAL 80 2.087 -17.272 5.532 622 HA VAL 80 HA VAL 80 0.857 -14.741 6.239 623 HB VAL 80 HB VAL 80 3.769 -15.531 6.401 624 HG11 VAL 80 HG11 VAL 80 2.233 -13.240 7.621 625 HG12 VAL 80 HG12 VAL 80 3.485 -13.136 6.381 626 HG13 VAL 80 HG13 VAL 80 3.900 -13.660 8.013 627 HG21 VAL 80 HG21 VAL 80 3.354 -15.928 8.776 628 HG22 VAL 80 HG22 VAL 80 2.367 -16.993 7.775 629 HG23 VAL 80 HG23 VAL 80 1.641 -15.581 8.541 630 H TYR 81 H TYR 81 0.773 -13.032 4.993 631 HA TYR 81 HA TYR 81 2.592 -12.839 2.680 632 HB2 TYR 81 HB2 TYR 81 -0.320 -12.086 2.918 633 HB3 TYR 81 HB1 TYR 81 0.712 -11.448 1.647 634 HD1 TYR 81 HD1 TYR 81 1.225 -12.728 -0.266 635 HD2 TYR 81 HD2 TYR 81 -0.775 -14.557 3.011 636 HE1 TYR 81 HE1 TYR 81 0.732 -14.682 -1.666 637 HE2 TYR 81 HE2 TYR 81 -1.264 -16.524 1.619 638 HH TYR 81 HH TYR 81 -1.530 -16.902 -1.003 639 H GLU 82 H GLU 82 3.681 -10.967 2.442 640 HA GLU 82 HA GLU 82 3.144 -8.820 4.386 641 HB2 GLU 82 HB2 GLU 82 5.577 -9.293 2.654 642 HB3 GLU 82 HB1 GLU 82 5.406 -8.036 3.869 643 HG2 GLU 82 HG2 GLU 82 5.209 -9.767 5.601 644 HG3 GLU 82 HG1 GLU 82 5.454 -11.001 4.365 645 H GLY 83 H GLY 83 2.222 -6.971 3.662 646 HA2 GLY 83 HA2 GLY 83 2.299 -6.527 0.746 647 HA3 GLY 83 HA1 GLY 83 0.820 -6.324 1.673 648 H GLN 84 H GLN 84 2.268 -4.443 -0.014 649 HA GLN 84 HA GLN 84 2.540 -2.290 1.955 650 HB2 GLN 84 HB2 GLN 84 4.483 -2.812 -0.302 651 HB3 GLN 84 HB1 GLN 84 4.500 -1.400 0.747 652 HG2 GLN 84 HG2 GLN 84 4.899 -2.858 2.673 653 HG3 GLN 84 HG1 GLN 84 4.919 -4.252 1.601 654 HE21 GLN 84 HE21 GLN 84 6.991 -4.772 2.201 655 HE22 GLN 84 HE22 GLN 84 8.372 -3.877 1.654 656 H LEU 85 H LEU 85 1.452 -0.537 1.406 657 HA LEU 85 HA LEU 85 0.471 -0.294 -1.358 658 HB2 LEU 85 HB2 LEU 85 -1.205 -0.471 0.505 659 HB3 LEU 85 HB1 LEU 85 -0.579 1.027 1.154 660 HG LEU 85 HG LEU 85 -2.751 1.137 -0.180 661 HD11 LEU 85 HD11 LEU 85 -0.467 2.914 -1.016 662 HD12 LEU 85 HD12 LEU 85 -1.491 3.130 0.404 663 HD13 LEU 85 HD13 LEU 85 -2.183 3.274 -1.211 664 HD21 LEU 85 HD21 LEU 85 -2.602 1.219 -2.575 665 HD22 LEU 85 HD22 LEU 85 -1.983 -0.333 -2.014 666 HD23 LEU 85 HD23 LEU 85 -0.864 0.932 -2.518 667 H ILE 86 H ILE 86 1.575 1.102 -2.553 668 HA ILE 86 HA ILE 86 2.877 3.379 -1.212 669 HB ILE 86 HB ILE 86 3.512 2.372 -3.993 670 HG12 ILE 86 HG12 ILE 86 5.686 1.604 -2.726 671 HG13 ILE 86 HG11 ILE 86 4.619 1.554 -1.329 672 HG21 ILE 86 HG21 ILE 86 4.093 4.715 -3.467 673 HG22 ILE 86 HG22 ILE 86 5.510 3.715 -3.775 674 HG23 ILE 86 HG23 ILE 86 5.078 4.143 -2.119 675 HD11 ILE 86 HD11 ILE 86 3.163 -0.016 -2.538 676 HD12 ILE 86 HD12 ILE 86 4.798 -0.631 -2.305 677 HD13 ILE 86 HD13 ILE 86 4.308 -0.006 -3.880 678 H SER 87 H SER 87 1.746 5.192 -1.363 679 HA SER 87 HA SER 87 -0.112 5.569 -3.574 680 HB2 SER 87 HB2 SER 87 -0.753 7.627 -2.236 681 HB3 SER 87 HB1 SER 87 -1.020 6.084 -1.426 682 HG SER 87 HG SER 87 1.050 7.965 -0.996 683 H ILE 88 H ILE 88 0.780 6.337 -5.398 684 HA ILE 88 HA ILE 88 2.966 8.269 -5.233 685 HB ILE 88 HB ILE 88 1.692 7.237 -7.763 686 HG12 ILE 88 HG12 ILE 88 2.426 5.312 -6.419 687 HG13 ILE 88 HG11 ILE 88 3.432 5.516 -7.849 688 HG21 ILE 88 HG21 ILE 88 4.413 8.409 -7.168 689 HG22 ILE 88 HG22 ILE 88 3.092 9.206 -8.021 690 HG23 ILE 88 HG23 ILE 88 3.887 7.802 -8.738 691 HD11 ILE 88 HD11 ILE 88 4.156 6.368 -5.057 692 HD12 ILE 88 HD12 ILE 88 5.170 6.529 -6.491 693 HD13 ILE 88 HD13 ILE 88 4.744 4.928 -5.888 694 H GLN 89 H GLN 89 2.195 10.236 -4.712 695 HA GLN 89 HA GLN 89 -0.241 11.252 -5.870 696 HB2 GLN 89 HB2 GLN 89 1.841 12.416 -4.049 697 HB3 GLN 89 HB1 GLN 89 0.558 13.408 -4.728 698 HG2 GLN 89 HG2 GLN 89 -1.092 11.854 -3.715 699 HG3 GLN 89 HG1 GLN 89 0.247 11.019 -2.927 700 HE21 GLN 89 HE21 GLN 89 1.271 11.981 -1.197 701 HE22 GLN 89 HE22 GLN 89 0.664 13.399 -0.412 702 H GLN 90 H GLN 90 -0.315 13.264 -7.041 703 HA GLN 90 HA GLN 90 1.220 13.067 -9.412 704 HB2 GLN 90 HB2 GLN 90 -0.534 15.352 -8.514 705 HB3 GLN 90 HB1 GLN 90 -0.071 14.971 -10.166 706 HG2 GLN 90 HG2 GLN 90 -1.337 12.907 -10.071 707 HG3 GLN 90 HG1 GLN 90 -1.761 13.224 -8.392 708 HE21 GLN 90 HE21 GLN 90 -2.118 16.105 -8.913 709 HE22 GLN 90 HE22 GLN 90 -3.622 16.242 -9.744 710 H TYR 91 H TYR 91 2.014 14.394 -6.500 711 HA TYR 91 HA TYR 91 3.670 16.527 -7.656 712 HB2 TYR 91 HB2 TYR 91 3.192 16.166 -4.711 713 HB3 TYR 91 HB1 TYR 91 3.550 17.644 -5.603 714 HD1 TYR 91 HD1 TYR 91 1.724 18.498 -7.223 715 HD2 TYR 91 HD2 TYR 91 0.990 15.640 -4.159 716 HE1 TYR 91 HE1 TYR 91 -0.681 18.993 -7.343 717 HE2 TYR 91 HE2 TYR 91 -1.416 16.131 -4.269 718 HH TYR 91 HH TYR 91 -2.871 18.039 -4.977 719 H GLY 92 H GLY 92 4.054 13.502 -7.416 720 HA2 GLY 92 HA2 GLY 92 5.927 12.176 -7.337 721 HA3 GLY 92 HA1 GLY 92 6.869 13.598 -6.897 722 H HIS 93 H HIS 93 4.306 13.379 -4.819 723 HA HIS 93 HA HIS 93 5.892 12.488 -2.624 724 HB2 HIS 93 HB2 HIS 93 3.086 13.406 -3.009 725 HB3 HIS 93 HB1 HIS 93 3.426 12.439 -1.584 726 HD1 HIS 93 HD1 HIS 93 3.327 14.151 0.225 727 HD2 HIS 93 HD2 HIS 93 5.701 15.351 -2.978 728 HE1 HIS 93 HE1 HIS 93 4.435 16.289 0.959 729 HE2 HIS 93 HE2 HIS 93 5.933 16.950 -0.960 730 H GLN 94 H GLN 94 6.306 10.452 -2.117 731 HA GLN 94 HA GLN 94 4.344 8.389 -2.866 732 HB2 GLN 94 HB2 GLN 94 7.349 8.057 -2.821 733 HB3 GLN 94 HB1 GLN 94 6.169 6.849 -3.306 734 HG2 GLN 94 HG2 GLN 94 5.558 8.172 -5.233 735 HG3 GLN 94 HG1 GLN 94 6.650 9.454 -4.725 736 HE21 GLN 94 HE21 GLN 94 6.619 7.908 -7.195 737 HE22 GLN 94 HE22 GLN 94 8.174 7.161 -7.311 738 H GLU 95 H GLU 95 3.547 7.425 -1.127 739 HA GLU 95 HA GLU 95 5.292 7.146 1.220 740 HB2 GLU 95 HB2 GLU 95 2.328 7.683 1.109 741 HB3 GLU 95 HB1 GLU 95 3.142 7.117 2.562 742 HG2 GLU 95 HG2 GLU 95 3.703 9.682 1.093 743 HG3 GLU 95 HG1 GLU 95 2.836 9.517 2.619 744 H VAL 96 H VAL 96 5.599 5.167 1.958 745 HA VAL 96 HA VAL 96 4.072 2.992 0.700 746 HB VAL 96 HB VAL 96 6.799 2.857 1.995 747 HG11 VAL 96 HG11 VAL 96 5.637 0.743 2.102 748 HG12 VAL 96 HG12 VAL 96 6.939 0.653 0.916 749 HG13 VAL 96 HG13 VAL 96 5.268 0.828 0.382 750 HG21 VAL 96 HG21 VAL 96 7.615 2.570 -0.351 751 HG22 VAL 96 HG22 VAL 96 6.999 4.179 0.022 752 HG23 VAL 96 HG23 VAL 96 6.010 3.052 -0.906 753 H THR 97 H THR 97 2.526 2.266 1.999 754 HA THR 97 HA THR 97 3.017 2.168 4.890 755 HB THR 97 HB THR 97 0.419 1.830 3.377 756 HG1 THR 97 HG1 THR 97 0.074 3.973 4.461 757 HG21 THR 97 HG21 THR 97 0.970 2.139 6.333 758 HG22 THR 97 HG22 THR 97 0.392 0.677 5.532 759 HG23 THR 97 HG23 THR 97 -0.628 2.115 5.588 760 H ARG 98 H ARG 98 3.740 0.323 5.661 761 HA ARG 98 HA ARG 98 3.419 -2.128 4.117 762 HB2 ARG 98 HB2 ARG 98 5.055 -1.588 6.602 763 HB3 ARG 98 HB1 ARG 98 5.108 -3.052 5.633 764 HG2 ARG 98 HG2 ARG 98 5.998 -1.810 3.750 765 HG3 ARG 98 HG1 ARG 98 5.877 -0.307 4.663 766 HD2 ARG 98 HD2 ARG 98 7.560 -2.680 5.453 767 HD3 ARG 98 HD1 ARG 98 8.165 -1.247 4.625 768 HE ARG 98 HE ARG 98 6.865 -0.373 6.915 769 HH11 ARG 98 HH11 ARG 98 9.640 -2.345 6.107 770 HH12 ARG 98 HH12 ARG 98 10.510 -1.943 7.553 771 HH21 ARG 98 HH21 ARG 98 8.000 0.161 8.824 772 HH22 ARG 98 HH22 ARG 98 9.573 -0.515 9.104 773 H PHE 99 H PHE 99 2.070 -3.703 4.644 774 HA PHE 99 HA PHE 99 1.085 -3.897 7.399 775 HB2 PHE 99 HB2 PHE 99 -1.195 -4.409 6.539 776 HB3 PHE 99 HB1 PHE 99 -0.689 -2.759 6.204 777 HD1 PHE 99 HD1 PHE 99 -1.499 -6.012 4.758 778 HD2 PHE 99 HD2 PHE 99 -0.243 -2.029 3.935 779 HE1 PHE 99 HE1 PHE 99 -2.035 -6.339 2.380 780 HE2 PHE 99 HE2 PHE 99 -0.780 -2.349 1.555 781 HZ PHE 99 HZ PHE 99 -1.676 -4.506 0.775 782 H ASP 100 H ASP 100 -0.265 -6.103 7.496 783 HA ASP 100 HA ASP 100 1.212 -8.140 5.988 784 HB2 ASP 100 HB2 ASP 100 1.773 -9.394 7.920 785 HB3 ASP 100 HB1 ASP 100 2.226 -7.734 8.291 786 H PHE 101 H PHE 101 0.190 -10.171 5.854 787 HA PHE 101 HA PHE 101 -2.583 -10.311 6.804 788 HB2 PHE 101 HB2 PHE 101 -2.869 -9.711 4.513 789 HB3 PHE 101 HB1 PHE 101 -1.601 -10.814 3.991 790 HD1 PHE 101 HD1 PHE 101 -4.999 -10.708 5.474 791 HD2 PHE 101 HD2 PHE 101 -2.119 -12.992 3.336 792 HE1 PHE 101 HE1 PHE 101 -6.689 -12.449 5.057 793 HE2 PHE 101 HE2 PHE 101 -3.799 -14.736 2.918 794 HZ PHE 101 HZ PHE 101 -6.088 -14.466 3.778 795 H THR 102 H THR 102 -3.267 -12.350 7.389 796 HA THR 102 HA THR 102 -1.542 -14.640 6.830 797 HB THR 102 HB THR 102 -2.507 -14.033 9.634 798 HG1 THR 102 HG1 THR 102 -0.251 -13.249 8.251 799 HG21 THR 102 HG21 THR 102 -0.611 -16.129 8.561 800 HG22 THR 102 HG22 THR 102 -2.246 -16.418 9.154 801 HG23 THR 102 HG23 THR 102 -0.988 -15.865 10.262 802 H THR 103 H THR 103 -4.461 -13.590 8.556 803 HA THR 103 HA THR 103 -6.166 -15.064 6.827 804 HB THR 103 HB THR 103 -5.498 -16.966 8.185 805 HG1 THR 103 HG1 THR 103 -7.830 -16.986 9.374 806 HG21 THR 103 HG21 THR 103 -5.914 -17.052 10.594 807 HG22 THR 103 HG22 THR 103 -6.435 -15.368 10.572 808 HG23 THR 103 HG23 THR 103 -4.761 -15.779 10.196 809 H THR 104 H THR 104 -8.129 -14.135 6.812 810 HA THR 104 HA THR 104 -8.404 -11.725 8.369 811 HB THR 104 HB THR 104 -10.428 -12.800 6.419 812 HG1 THR 104 HG1 THR 104 -8.877 -11.156 5.119 813 HG21 THR 104 HG21 THR 104 -10.787 -10.399 5.980 814 HG22 THR 104 HG22 THR 104 -9.578 -10.010 7.203 815 HG23 THR 104 HG23 THR 104 -11.074 -10.817 7.667 816 H SER 105 H SER 105 -9.216 -14.894 8.924 817 HA SER 105 HA SER 105 -11.878 -14.708 9.835 818 HB2 SER 105 HB2 SER 105 -11.324 -16.857 11.044 819 HB3 SER 105 HB1 SER 105 -11.005 -16.868 9.310 820 HG SER 105 HG SER 105 -9.327 -17.526 11.146 821 H THR 106 H THR 106 -8.772 -14.343 11.500 822 HA THR 106 HA THR 106 -10.184 -13.929 14.021 823 HB THR 106 HB THR 106 -7.816 -13.890 14.963 824 HG1 THR 106 HG1 THR 106 -6.415 -13.665 13.356 825 HG21 THR 106 HG21 THR 106 -9.290 -15.845 15.116 826 HG22 THR 106 HG22 THR 106 -7.610 -16.327 14.878 827 HG23 THR 106 HG23 THR 106 -8.744 -16.382 13.527 828 H SER 107 H SER 107 -9.406 -12.002 11.528 829 HA SER 107 HA SER 107 -8.003 -9.881 12.779 830 HB2 SER 107 HB2 SER 107 -9.756 -9.823 10.316 831 HB3 SER 107 HB1 SER 107 -8.594 -8.584 10.784 832 HG SER 107 HG SER 107 -6.940 -9.981 10.407 833 H THR 108 H THR 108 -11.392 -9.886 11.637 834 HA THR 108 HA THR 108 -11.991 -7.925 13.747 835 HB THR 108 HB THR 108 -13.698 -8.493 11.325 836 HG1 THR 108 HG1 THR 108 -11.732 -7.807 10.510 837 HG21 THR 108 HG21 THR 108 -13.462 -6.095 13.147 838 HG22 THR 108 HG22 THR 108 -14.769 -7.279 13.162 839 HG23 THR 108 HG23 THR 108 -14.543 -6.233 11.761 840 HA PRO 109 HA PRO 109 -14.371 -11.309 15.576 841 HB2 PRO 109 HB2 PRO 109 -15.068 -9.307 17.601 842 HB3 PRO 109 HB1 PRO 109 -14.193 -10.827 17.788 843 HG2 PRO 109 HG2 PRO 109 -12.974 -8.434 18.012 844 HG3 PRO 109 HG1 PRO 109 -12.149 -9.859 17.352 845 HD2 PRO 109 HD2 PRO 109 -13.373 -7.537 15.903 846 HD3 PRO 109 HD1 PRO 109 -11.841 -8.382 15.592 847 H GLY 110 H GLY 110 -15.759 -10.725 13.570 848 HA2 GLY 110 HA2 GLY 110 -18.227 -9.346 14.401 849 HA3 GLY 110 HA1 GLY 110 -17.761 -9.689 12.742 850 H SER 111 H SER 111 -18.129 -11.723 11.874 851 HA SER 111 HA SER 111 -20.160 -13.318 13.109 852 HB2 SER 111 HB2 SER 111 -18.435 -13.975 10.704 853 HB3 SER 111 HB1 SER 111 -19.964 -14.736 11.139 854 HG SER 111 HG SER 111 -19.611 -12.627 9.618 855 H ARG 112 H ARG 112 -16.694 -13.458 12.717 856 HA ARG 112 HA ARG 112 -16.465 -16.007 14.080 857 HB2 ARG 112 HB2 ARG 112 -14.906 -15.419 12.253 858 HB3 ARG 112 HB1 ARG 112 -14.340 -14.043 13.188 859 HG2 ARG 112 HG2 ARG 112 -12.734 -15.771 13.413 860 HG3 ARG 112 HG1 ARG 112 -13.593 -15.650 14.949 861 HD2 ARG 112 HD2 ARG 112 -15.006 -17.550 14.281 862 HD3 ARG 112 HD1 ARG 112 -14.099 -17.679 12.777 863 HE ARG 112 HE ARG 112 -12.480 -17.826 15.159 864 HH11 ARG 112 HH11 ARG 112 -14.359 -19.621 12.815 865 HH12 ARG 112 HH12 ARG 112 -13.569 -21.130 13.141 866 HH21 ARG 112 HH21 ARG 112 -11.429 -19.824 15.599 867 HH22 ARG 112 HH22 ARG 112 -11.904 -21.245 14.724 868 H SER 113 H SER 113 -16.037 -16.253 16.198 869 HA SER 113 HA SER 113 -15.785 -15.795 18.396 870 HB2 SER 113 HB2 SER 113 -13.616 -14.788 17.586 871 HB3 SER 113 HB1 SER 113 -14.430 -13.225 17.540 872 HG SER 113 HG SER 113 -13.534 -13.275 19.511 873 H HIS 114 H HIS 114 -18.187 -15.519 17.921 874 HA HIS 114 HA HIS 114 -19.054 -12.792 18.608 875 HB2 HIS 114 HB2 HIS 114 -21.285 -13.464 17.758 876 HB3 HIS 114 HB1 HIS 114 -20.034 -13.577 16.527 877 HD1 HIS 114 HD1 HIS 114 -19.608 -15.854 15.492 878 HD2 HIS 114 HD2 HIS 114 -22.280 -15.977 18.678 879 HE1 HIS 114 HE1 HIS 114 -20.577 -18.171 15.475 880 HE2 HIS 114 HE2 HIS 114 -22.071 -18.270 17.498 881 H HIS 115 H HIS 115 -18.210 -15.420 20.156 882 HA HIS 115 HA HIS 115 -20.498 -15.743 21.904 883 HB2 HIS 115 HB2 HIS 115 -18.982 -17.655 21.271 884 HB3 HIS 115 HB1 HIS 115 -17.715 -16.893 22.222 885 HD1 HIS 115 HD1 HIS 115 -17.649 -17.473 24.654 886 HD2 HIS 115 HD2 HIS 115 -21.281 -18.462 22.898 887 HE1 HIS 115 HE1 HIS 115 -18.924 -18.741 26.410 888 HE2 HIS 115 HE2 HIS 115 -21.172 -19.208 25.368 889 H HIS 116 H HIS 116 -20.151 -13.242 22.140 890 HA HIS 116 HA HIS 116 -18.420 -12.788 24.482 891 HB2 HIS 116 HB2 HIS 116 -17.794 -11.523 22.416 892 HB3 HIS 116 HB1 HIS 116 -19.361 -10.726 22.477 893 HD1 HIS 116 HD1 HIS 116 -19.075 -8.429 23.328 894 HD2 HIS 116 HD2 HIS 116 -16.546 -11.114 25.246 895 HE1 HIS 116 HE1 HIS 116 -17.808 -7.074 25.025 896 HE2 HIS 116 HE2 HIS 116 -16.423 -8.754 26.291 897 H HIS 117 H HIS 117 -21.610 -12.901 23.348 898 HA HIS 117 HA HIS 117 -22.645 -11.033 25.305 899 HB2 HIS 117 HB2 HIS 117 -24.869 -11.610 24.404 900 HB3 HIS 117 HB1 HIS 117 -23.759 -11.090 23.147 901 HD1 HIS 117 HD1 HIS 117 -25.842 -13.945 24.240 902 HD2 HIS 117 HD2 HIS 117 -22.948 -13.167 21.362 903 HE1 HIS 117 HE1 HIS 117 -25.995 -15.841 22.597 904 HE2 HIS 117 HE2 HIS 117 -24.352 -15.255 20.782 905 H HIS 118 H HIS 118 -23.309 -11.521 27.270 906 HA HIS 118 HA HIS 118 -23.404 -14.360 28.022 907 HB2 HIS 118 HB2 HIS 118 -23.005 -11.878 29.704 908 HB3 HIS 118 HB1 HIS 118 -23.195 -13.493 30.372 909 HD1 HIS 118 HD1 HIS 118 -21.110 -14.839 30.629 910 HD2 HIS 118 HD2 HIS 118 -20.599 -11.612 28.061 911 HE1 HIS 118 HE1 HIS 118 -18.651 -14.770 30.113 912 HE2 HIS 118 HE2 HIS 118 -18.377 -12.862 28.489 913 H HIS 119 H HIS 119 -25.036 -14.980 29.639 914 HA HIS 119 HA HIS 119 -27.511 -13.423 29.322 915 HB2 HIS 119 HB2 HIS 119 -28.760 -15.566 29.520 916 HB3 HIS 119 HB1 HIS 119 -27.753 -15.483 28.084 917 HD1 HIS 119 HD1 HIS 119 -25.832 -17.162 27.888 918 HD2 HIS 119 HD2 HIS 119 -27.951 -17.477 31.446 919 HE1 HIS 119 HE1 HIS 119 -25.098 -19.330 28.917 920 HE2 HIS 119 HE2 HIS 119 -26.269 -19.419 31.144 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 9.292 16.415 11.149 2 H2 GLY 1 HT2 GLY 1 7.731 17.038 11.338 3 H3 GLY 1 HT3 GLY 1 9.003 17.653 12.264 4 HA2 GLY 1 HA1 GLY 1 10.066 18.537 10.305 5 HA3 GLY 1 HA2 GLY 1 8.775 17.872 9.318 6 H SER 2 H SER 2 9.273 20.507 9.092 7 HA SER 2 HA SER 2 7.771 22.095 10.934 8 HB2 SER 2 HB2 SER 2 8.641 22.873 8.148 9 HB3 SER 2 HB1 SER 2 8.321 23.940 9.515 10 HG SER 2 HG SER 2 10.556 22.404 8.935 11 H GLN 3 H GLN 3 7.124 20.496 7.895 12 HA GLN 3 HA GLN 3 4.640 21.820 7.406 13 HB2 GLN 3 HB2 GLN 3 5.738 19.222 6.317 14 HB3 GLN 3 HB1 GLN 3 4.277 20.010 5.741 15 HG2 GLN 3 HG2 GLN 3 7.075 21.107 5.609 16 HG3 GLN 3 HG1 GLN 3 6.121 20.485 4.263 17 HE21 GLN 3 HE21 GLN 3 4.398 21.707 3.473 18 HE22 GLN 3 HE22 GLN 3 4.232 23.390 3.836 19 H THR 4 H THR 4 2.566 21.069 7.755 20 HA THR 4 HA THR 4 2.211 18.687 9.389 21 HB THR 4 HB THR 4 2.579 20.508 11.012 22 HG1 THR 4 HG1 THR 4 0.170 20.347 11.831 23 HG21 THR 4 HG21 THR 4 1.827 22.397 9.671 24 HG22 THR 4 HG22 THR 4 0.950 22.340 11.200 25 HG23 THR 4 HG23 THR 4 0.172 21.790 9.716 26 H THR 5 H THR 5 -0.201 18.387 9.808 27 HA THR 5 HA THR 5 -2.270 17.953 9.043 28 HB THR 5 HB THR 5 -3.569 19.738 8.003 29 HG1 THR 5 HG1 THR 5 -1.099 20.624 7.241 30 HG21 THR 5 HG21 THR 5 -3.272 21.458 9.737 31 HG22 THR 5 HG22 THR 5 -1.731 20.727 10.183 32 HG23 THR 5 HG23 THR 5 -3.230 19.828 10.406 33 H ALA 6 H ALA 6 -3.717 18.003 6.955 34 HA ALA 6 HA ALA 6 -4.113 17.052 4.941 35 HB1 ALA 6 HB1 ALA 6 -3.098 19.126 4.135 36 HB2 ALA 6 HB2 ALA 6 -2.745 17.771 3.062 37 HB3 ALA 6 HB3 ALA 6 -1.509 18.362 4.172 38 HA PRO 7 HA PRO 7 -1.449 13.406 5.878 39 HB2 PRO 7 HB2 PRO 7 -3.966 11.967 5.406 40 HB3 PRO 7 HB1 PRO 7 -2.896 11.920 6.809 41 HG2 PRO 7 HG2 PRO 7 -5.313 13.100 6.900 42 HG3 PRO 7 HG1 PRO 7 -3.930 13.710 7.824 43 HD2 PRO 7 HD2 PRO 7 -5.088 14.724 5.257 44 HD3 PRO 7 HD1 PRO 7 -4.481 15.634 6.656 45 H ASP 8 H ASP 8 -0.400 13.736 3.857 46 HA ASP 8 HA ASP 8 -1.676 12.958 1.405 47 HB2 ASP 8 HB2 ASP 8 0.504 13.332 0.367 48 HB3 ASP 8 HB1 ASP 8 0.097 14.672 1.432 49 H ALA 9 H ALA 9 0.119 11.405 3.885 50 HA ALA 9 HA ALA 9 0.523 9.004 2.284 51 HB1 ALA 9 HB1 ALA 9 1.264 9.559 5.152 52 HB2 ALA 9 HB2 ALA 9 2.334 9.722 3.759 53 HB3 ALA 9 HB3 ALA 9 1.714 8.136 4.213 54 HA PRO 10 HA PRO 10 -3.490 7.454 3.613 55 HB2 PRO 10 HB2 PRO 10 -2.295 4.955 2.544 56 HB3 PRO 10 HB1 PRO 10 -3.843 5.713 2.160 57 HG2 PRO 10 HG2 PRO 10 -1.811 5.812 0.441 58 HG3 PRO 10 HG1 PRO 10 -2.894 7.200 0.660 59 HD2 PRO 10 HD2 PRO 10 -0.125 6.785 1.696 60 HD3 PRO 10 HD1 PRO 10 -0.883 8.248 1.092 61 HA PRO 11 HA PRO 11 -2.121 5.637 7.502 62 HB2 PRO 11 HB2 PRO 11 -5.005 5.083 7.808 63 HB3 PRO 11 HB1 PRO 11 -3.920 5.995 8.860 64 HG2 PRO 11 HG2 PRO 11 -5.760 7.230 7.364 65 HG3 PRO 11 HG1 PRO 11 -4.160 7.946 7.636 66 HD2 PRO 11 HD2 PRO 11 -5.200 6.485 5.236 67 HD3 PRO 11 HD1 PRO 11 -4.197 7.949 5.317 68 H ASP 12 H ASP 12 -3.093 3.563 8.736 69 HA ASP 12 HA ASP 12 -2.130 1.365 7.339 70 HB2 ASP 12 HB2 ASP 12 -3.995 1.428 9.715 71 HB3 ASP 12 HB1 ASP 12 -3.187 -0.020 9.126 72 HA PRO 13 HA PRO 13 -5.677 0.358 4.764 73 HB2 PRO 13 HB2 PRO 13 -4.001 -1.947 4.035 74 HB3 PRO 13 HB1 PRO 13 -4.674 -0.683 3.002 75 HG2 PRO 13 HG2 PRO 13 -2.045 -0.818 3.543 76 HG3 PRO 13 HG1 PRO 13 -2.883 0.733 3.342 77 HD2 PRO 13 HD2 PRO 13 -2.055 -0.662 5.863 78 HD3 PRO 13 HD1 PRO 13 -1.961 1.062 5.443 79 H THR 14 H THR 14 -7.316 -1.073 5.045 80 HA THR 14 HA THR 14 -6.972 -3.080 7.174 81 HB THR 14 HB THR 14 -9.573 -1.934 6.149 82 HG1 THR 14 HG1 THR 14 -7.675 -0.883 7.882 83 HG21 THR 14 HG21 THR 14 -9.764 -4.052 7.365 84 HG22 THR 14 HG22 THR 14 -10.454 -2.724 8.299 85 HG23 THR 14 HG23 THR 14 -8.866 -3.363 8.717 86 H VAL 15 H VAL 15 -7.362 -5.199 6.742 87 HA VAL 15 HA VAL 15 -8.128 -5.833 3.978 88 HB VAL 15 HB VAL 15 -6.400 -7.344 5.935 89 HG11 VAL 15 HG11 VAL 15 -7.558 -8.276 3.315 90 HG12 VAL 15 HG12 VAL 15 -7.787 -9.000 4.906 91 HG13 VAL 15 HG13 VAL 15 -6.205 -9.060 4.126 92 HG21 VAL 15 HG21 VAL 15 -4.706 -7.137 4.206 93 HG22 VAL 15 HG22 VAL 15 -5.331 -5.544 4.636 94 HG23 VAL 15 HG23 VAL 15 -5.858 -6.327 3.145 95 H ASP 16 H ASP 16 -10.124 -6.539 3.751 96 HA ASP 16 HA ASP 16 -11.303 -8.176 5.897 97 HB2 ASP 16 HB2 ASP 16 -12.618 -6.184 5.385 98 HB3 ASP 16 HB1 ASP 16 -12.655 -6.620 3.679 99 H GLN 17 H GLN 17 -11.723 -10.269 5.513 100 HA GLN 17 HA GLN 17 -10.919 -11.329 2.931 101 HB2 GLN 17 HB2 GLN 17 -11.786 -12.829 5.402 102 HB3 GLN 17 HB1 GLN 17 -11.064 -13.526 3.983 103 HG2 GLN 17 HG2 GLN 17 -9.265 -13.454 5.382 104 HG3 GLN 17 HG1 GLN 17 -9.086 -11.913 4.546 105 HE21 GLN 17 HE21 GLN 17 -9.408 -10.011 5.675 106 HE22 GLN 17 HE22 GLN 17 -9.590 -9.957 7.394 107 H VAL 18 H VAL 18 -12.394 -11.391 1.381 108 HA VAL 18 HA VAL 18 -15.198 -11.828 2.068 109 HB VAL 18 HB VAL 18 -15.637 -11.352 -0.343 110 HG11 VAL 18 HG11 VAL 18 -15.162 -8.951 -0.193 111 HG12 VAL 18 HG12 VAL 18 -14.069 -9.258 1.156 112 HG13 VAL 18 HG13 VAL 18 -15.792 -9.591 1.324 113 HG21 VAL 18 HG21 VAL 18 -13.479 -12.055 -1.252 114 HG22 VAL 18 HG22 VAL 18 -12.685 -10.720 -0.419 115 HG23 VAL 18 HG23 VAL 18 -13.844 -10.391 -1.706 116 H ASP 19 H ASP 19 -12.473 -13.434 0.747 117 HA ASP 19 HA ASP 19 -14.060 -15.879 0.502 118 HB2 ASP 19 HB2 ASP 19 -12.128 -14.817 -1.562 119 HB3 ASP 19 HB1 ASP 19 -12.596 -16.508 -1.487 120 H ASP 20 H ASP 20 -12.219 -17.730 0.032 121 HA ASP 20 HA ASP 20 -10.459 -17.580 2.316 122 HB2 ASP 20 HB2 ASP 20 -10.715 -19.705 0.170 123 HB3 ASP 20 HB1 ASP 20 -9.718 -19.847 1.612 124 H THR 21 H THR 21 -10.225 -17.488 -1.178 125 HA THR 21 HA THR 21 -7.330 -17.066 -0.970 126 HB THR 21 HB THR 21 -7.378 -17.592 -3.462 127 HG1 THR 21 HG1 THR 21 -9.232 -18.121 -4.340 128 HG21 THR 21 HG21 THR 21 -8.205 -19.719 -1.485 129 HG22 THR 21 HG22 THR 21 -6.558 -19.195 -1.841 130 HG23 THR 21 HG23 THR 21 -7.506 -20.026 -3.073 131 H SER 22 H SER 22 -9.766 -15.088 -0.869 132 HA SER 22 HA SER 22 -8.422 -13.076 -2.484 133 HB2 SER 22 HB2 SER 22 -11.384 -13.580 -2.825 134 HB3 SER 22 HB1 SER 22 -10.417 -12.365 -3.654 135 HG SER 22 HG SER 22 -9.325 -14.806 -3.967 136 H ILE 23 H ILE 23 -8.459 -11.112 -1.592 137 HA ILE 23 HA ILE 23 -10.236 -10.666 0.727 138 HB ILE 23 HB ILE 23 -8.482 -9.390 1.804 139 HG12 ILE 23 HG12 ILE 23 -6.567 -10.198 -0.374 140 HG13 ILE 23 HG11 ILE 23 -7.496 -8.709 -0.494 141 HG21 ILE 23 HG21 ILE 23 -8.528 -11.780 2.246 142 HG22 ILE 23 HG22 ILE 23 -6.870 -11.178 2.271 143 HG23 ILE 23 HG23 ILE 23 -7.464 -12.068 0.870 144 HD11 ILE 23 HD11 ILE 23 -5.359 -8.162 0.363 145 HD12 ILE 23 HD12 ILE 23 -5.452 -9.431 1.585 146 HD13 ILE 23 HD13 ILE 23 -6.505 -8.021 1.694 147 H VAL 24 H VAL 24 -10.673 -8.390 1.169 148 HA VAL 24 HA VAL 24 -10.191 -6.633 -1.145 149 HB VAL 24 HB VAL 24 -12.334 -6.349 0.980 150 HG11 VAL 24 HG11 VAL 24 -13.174 -4.514 -0.404 151 HG12 VAL 24 HG12 VAL 24 -11.817 -4.721 -1.511 152 HG13 VAL 24 HG13 VAL 24 -11.530 -4.192 0.147 153 HG21 VAL 24 HG21 VAL 24 -12.815 -8.187 -0.546 154 HG22 VAL 24 HG22 VAL 24 -12.561 -7.123 -1.929 155 HG23 VAL 24 HG23 VAL 24 -13.912 -6.838 -0.833 156 H VAL 25 H VAL 25 -8.378 -5.590 -0.727 157 HA VAL 25 HA VAL 25 -7.767 -4.725 1.989 158 HB VAL 25 HB VAL 25 -5.897 -5.749 0.937 159 HG11 VAL 25 HG11 VAL 25 -6.515 -5.747 -1.341 160 HG12 VAL 25 HG12 VAL 25 -4.969 -4.909 -1.221 161 HG13 VAL 25 HG13 VAL 25 -6.457 -3.986 -1.426 162 HG21 VAL 25 HG21 VAL 25 -5.523 -2.766 0.773 163 HG22 VAL 25 HG22 VAL 25 -4.224 -3.962 0.774 164 HG23 VAL 25 HG23 VAL 25 -5.266 -3.787 2.190 165 H ARG 26 H ARG 26 -8.382 -2.802 2.648 166 HA ARG 26 HA ARG 26 -9.043 -0.773 0.611 167 HB2 ARG 26 HB2 ARG 26 -10.295 -1.150 3.337 168 HB3 ARG 26 HB1 ARG 26 -10.775 0.029 2.125 169 HG2 ARG 26 HG2 ARG 26 -11.423 -1.810 0.625 170 HG3 ARG 26 HG1 ARG 26 -10.996 -2.965 1.889 171 HD2 ARG 26 HD2 ARG 26 -13.397 -2.541 1.856 172 HD3 ARG 26 HD1 ARG 26 -12.672 -1.980 3.362 173 HE ARG 26 HE ARG 26 -13.011 -0.011 1.239 174 HH11 ARG 26 HH11 ARG 26 -14.243 -1.388 4.207 175 HH12 ARG 26 HH12 ARG 26 -15.166 0.018 4.625 176 HH21 ARG 26 HH21 ARG 26 -14.239 1.825 1.763 177 HH22 ARG 26 HH22 ARG 26 -15.161 1.856 3.232 178 H TRP 27 H TRP 27 -8.348 1.281 0.886 179 HA TRP 27 HA TRP 27 -6.961 1.959 3.378 180 HB2 TRP 27 HB2 TRP 27 -5.261 3.201 1.946 181 HB3 TRP 27 HB1 TRP 27 -5.142 1.446 1.935 182 HD1 TRP 27 HD1 TRP 27 -6.186 4.383 -0.307 183 HE1 TRP 27 HE1 TRP 27 -6.203 3.577 -2.749 184 HE3 TRP 27 HE3 TRP 27 -5.347 -0.598 0.473 185 HZ2 TRP 27 HZ2 TRP 27 -5.893 1.157 -4.161 186 HZ3 TRP 27 HZ3 TRP 27 -5.218 -2.090 -1.480 187 HH2 TRP 27 HH2 TRP 27 -5.486 -1.228 -3.747 188 H SER 28 H SER 28 -7.362 3.993 4.100 189 HA SER 28 HA SER 28 -9.538 5.383 2.871 190 HB2 SER 28 HB2 SER 28 -9.186 6.986 4.789 191 HB3 SER 28 HB1 SER 28 -9.466 5.312 5.267 192 HG SER 28 HG SER 28 -6.881 6.418 4.940 193 H ARG 29 H ARG 29 -9.244 6.610 1.148 194 HA ARG 29 HA ARG 29 -6.728 7.936 0.669 195 HB2 ARG 29 HB2 ARG 29 -7.472 7.174 -1.316 196 HB3 ARG 29 HB1 ARG 29 -9.170 7.352 -0.906 197 HG2 ARG 29 HG2 ARG 29 -8.749 8.836 -2.685 198 HG3 ARG 29 HG1 ARG 29 -8.834 9.842 -1.239 199 HD2 ARG 29 HD2 ARG 29 -6.586 10.308 -1.268 200 HD3 ARG 29 HD1 ARG 29 -6.177 8.817 -2.115 201 HE ARG 29 HE ARG 29 -7.035 9.851 -4.148 202 HH11 ARG 29 HH11 ARG 29 -6.399 12.012 -1.457 203 HH12 ARG 29 HH12 ARG 29 -6.131 13.394 -2.473 204 HH21 ARG 29 HH21 ARG 29 -6.681 11.673 -5.473 205 HH22 ARG 29 HH22 ARG 29 -6.326 13.211 -4.747 206 HA PRO 30 HA PRO 30 -7.733 11.605 2.870 207 HB2 PRO 30 HB2 PRO 30 -5.922 13.189 1.494 208 HB3 PRO 30 HB1 PRO 30 -5.538 12.187 2.895 209 HG2 PRO 30 HG2 PRO 30 -5.157 11.609 -0.013 210 HG3 PRO 30 HG1 PRO 30 -4.091 11.235 1.355 211 HD2 PRO 30 HD2 PRO 30 -5.624 9.342 0.234 212 HD3 PRO 30 HD1 PRO 30 -5.355 9.391 1.990 213 H1 MET 31 HT1 MET 31 -3.284 32.477 -6.522 214 H2 MET 31 HT2 MET 31 -4.017 30.973 -6.728 215 H3 MET 31 HT3 MET 31 -2.952 31.560 -7.903 216 HA MET 31 HA MET 31 -1.872 29.880 -6.600 217 HB2 MET 31 HB2 MET 31 -0.472 31.686 -7.408 218 HB3 MET 31 HB1 MET 31 -0.905 32.688 -6.034 219 HG2 MET 31 HG2 MET 31 1.332 31.731 -5.816 220 HG3 MET 31 HG1 MET 31 0.251 31.192 -4.531 221 HE1 MET 31 HE1 MET 31 2.029 30.234 -7.886 222 HE2 MET 31 HE2 MET 31 0.342 29.900 -8.272 223 HE3 MET 31 HE3 MET 31 1.492 28.572 -8.125 224 H ARG 32 H ARG 32 -2.317 32.696 -4.438 225 HA ARG 32 HA ARG 32 -2.825 30.774 -2.265 226 HB2 ARG 32 HB2 ARG 32 -0.561 31.934 -2.212 227 HB3 ARG 32 HB1 ARG 32 -1.427 33.436 -1.947 228 HG2 ARG 32 HG2 ARG 32 -1.758 31.078 -0.123 229 HG3 ARG 32 HG1 ARG 32 -0.458 32.251 0.085 230 HD2 ARG 32 HD2 ARG 32 -2.091 34.040 0.305 231 HD3 ARG 32 HD1 ARG 32 -3.403 32.893 0.043 232 HE ARG 32 HE ARG 32 -1.700 32.207 2.254 233 HH11 ARG 32 HH11 ARG 32 -4.463 34.104 1.251 234 HH12 ARG 32 HH12 ARG 32 -5.152 34.179 2.842 235 HH21 ARG 32 HH21 ARG 32 -2.592 32.329 4.365 236 HH22 ARG 32 HH22 ARG 32 -4.089 33.176 4.607 237 H GLY 33 H GLY 33 -4.909 30.914 -1.798 238 HA2 GLY 33 HA2 GLY 33 -6.034 33.400 -0.903 239 HA3 GLY 33 HA1 GLY 33 -6.727 32.850 -2.423 240 H SER 34 H SER 34 -8.492 31.647 -2.240 241 HA SER 34 HA SER 34 -9.239 30.496 0.291 242 HB2 SER 34 HB2 SER 34 -11.253 29.725 -1.030 243 HB3 SER 34 HB1 SER 34 -10.994 31.469 -1.034 244 HG SER 34 HG SER 34 -11.125 31.205 -3.122 245 H ASN 35 H ASN 35 -7.902 29.467 -2.739 246 HA ASN 35 HA ASN 35 -8.197 26.653 -2.195 247 HB2 ASN 35 HB2 ASN 35 -8.235 27.403 -4.508 248 HB3 ASN 35 HB1 ASN 35 -6.649 28.144 -4.328 249 HD21 ASN 35 HD21 ASN 35 -4.828 26.870 -4.374 250 HD22 ASN 35 HD22 ASN 35 -4.860 25.209 -4.854 251 H ALA 36 H ALA 36 -7.078 25.910 -0.520 252 HA ALA 36 HA ALA 36 -4.255 26.662 -0.236 253 HB1 ALA 36 HB1 ALA 36 -6.068 25.196 1.684 254 HB2 ALA 36 HB2 ALA 36 -5.638 26.904 1.769 255 HB3 ALA 36 HB3 ALA 36 -4.398 25.671 1.995 256 HA PRO 37 HA PRO 37 -3.738 22.846 -2.599 257 HB2 PRO 37 HB2 PRO 37 -0.886 23.548 -2.222 258 HB3 PRO 37 HB1 PRO 37 -1.775 23.202 -3.709 259 HG2 PRO 37 HG2 PRO 37 -1.046 25.690 -3.091 260 HG3 PRO 37 HG1 PRO 37 -2.603 25.356 -3.871 261 HD2 PRO 37 HD2 PRO 37 -2.012 25.988 -1.007 262 HD3 PRO 37 HD1 PRO 37 -3.365 26.523 -2.026 263 H GLN 38 H GLN 38 -4.007 21.024 -1.516 264 HA GLN 38 HA GLN 38 -2.239 20.417 0.743 265 HB2 GLN 38 HB2 GLN 38 -3.802 18.566 1.220 266 HB3 GLN 38 HB1 GLN 38 -4.623 20.120 1.192 267 HG2 GLN 38 HG2 GLN 38 -5.505 19.657 -1.007 268 HG3 GLN 38 HG1 GLN 38 -4.599 18.146 -1.083 269 HE21 GLN 38 HE21 GLN 38 -7.319 19.794 0.301 270 HE22 GLN 38 HE22 GLN 38 -8.100 18.392 0.943 271 HA PRO 39 HA PRO 39 0.195 17.910 -1.960 272 HB2 PRO 39 HB2 PRO 39 1.406 16.327 -0.096 273 HB3 PRO 39 HB1 PRO 39 1.874 18.004 -0.403 274 HG2 PRO 39 HG2 PRO 39 0.131 16.886 1.756 275 HG3 PRO 39 HG1 PRO 39 1.385 18.135 1.864 276 HD2 PRO 39 HD2 PRO 39 -1.245 18.734 1.783 277 HD3 PRO 39 HD1 PRO 39 -0.013 19.785 1.056 278 H SER 40 H SER 40 -2.316 16.738 -0.026 279 HA SER 40 HA SER 40 -2.019 13.940 -0.484 280 HB2 SER 40 HB2 SER 40 -4.559 15.366 0.300 281 HB3 SER 40 HB1 SER 40 -4.066 13.720 0.696 282 HG SER 40 HG SER 40 -2.462 14.564 2.041 283 H HIS 41 H HIS 41 -1.722 14.304 -2.900 284 HA HIS 41 HA HIS 41 -4.340 13.876 -4.175 285 HB2 HIS 41 HB2 HIS 41 -2.116 15.652 -5.169 286 HB3 HIS 41 HB1 HIS 41 -3.302 14.963 -6.268 287 HD1 HIS 41 HD1 HIS 41 -5.641 16.002 -6.284 288 HD2 HIS 41 HD2 HIS 41 -3.118 17.632 -3.416 289 HE1 HIS 41 HE1 HIS 41 -6.815 18.057 -5.443 290 HE2 HIS 41 HE2 HIS 41 -5.188 19.119 -3.842 291 H ILE 42 H ILE 42 -3.952 11.657 -4.018 292 HA ILE 42 HA ILE 42 -1.571 10.463 -5.077 293 HB ILE 42 HB ILE 42 -4.191 9.224 -4.209 294 HG12 ILE 42 HG12 ILE 42 -2.704 8.298 -2.360 295 HG13 ILE 42 HG11 ILE 42 -1.477 9.435 -2.895 296 HG21 ILE 42 HG21 ILE 42 -3.040 7.064 -4.322 297 HG22 ILE 42 HG22 ILE 42 -1.632 7.859 -5.027 298 HG23 ILE 42 HG23 ILE 42 -3.161 7.831 -5.906 299 HD11 ILE 42 HD11 ILE 42 -2.976 11.291 -2.381 300 HD12 ILE 42 HD12 ILE 42 -2.687 10.272 -0.970 301 HD13 ILE 42 HD13 ILE 42 -4.208 10.144 -1.852 302 H SER 43 H SER 43 -1.214 9.651 -7.067 303 HA SER 43 HA SER 43 -3.308 9.997 -9.078 304 HB2 SER 43 HB2 SER 43 -0.356 9.405 -9.413 305 HB3 SER 43 HB1 SER 43 -1.490 9.780 -10.711 306 HG SER 43 HG SER 43 -1.812 11.829 -9.705 307 H LYS 44 H LYS 44 -1.277 7.534 -7.591 308 HA LYS 44 HA LYS 44 -3.096 5.468 -8.369 309 HB2 LYS 44 HB2 LYS 44 -1.501 4.113 -9.656 310 HB3 LYS 44 HB1 LYS 44 -1.837 5.641 -10.455 311 HG2 LYS 44 HG2 LYS 44 0.291 6.517 -9.442 312 HG3 LYS 44 HG1 LYS 44 0.641 4.858 -8.939 313 HD2 LYS 44 HD2 LYS 44 0.603 4.118 -11.239 314 HD3 LYS 44 HD1 LYS 44 0.124 5.728 -11.783 315 HE2 LYS 44 HE2 LYS 44 2.248 6.619 -10.881 316 HE3 LYS 44 HE1 LYS 44 2.726 4.976 -10.454 317 HZ1 LYS 44 HZ1 LYS 44 2.131 5.924 -13.203 318 HZ2 LYS 44 HZ2 LYS 44 2.651 4.373 -12.776 319 HZ3 LYS 44 HZ3 LYS 44 3.679 5.697 -12.563 320 H TYR 45 H TYR 45 -2.720 3.506 -7.293 321 HA TYR 45 HA TYR 45 -0.734 3.662 -5.114 322 HB2 TYR 45 HB2 TYR 45 -3.178 1.886 -5.163 323 HB3 TYR 45 HB1 TYR 45 -2.157 2.278 -3.788 324 HD1 TYR 45 HD1 TYR 45 -4.895 3.380 -5.912 325 HD2 TYR 45 HD2 TYR 45 -2.390 4.430 -2.642 326 HE1 TYR 45 HE1 TYR 45 -6.457 5.168 -5.303 327 HE2 TYR 45 HE2 TYR 45 -3.949 6.232 -2.023 328 HH TYR 45 HH TYR 45 -7.080 6.501 -3.451 329 H ILE 46 H ILE 46 0.784 2.096 -5.021 330 HA ILE 46 HA ILE 46 0.492 -0.163 -6.882 331 HB ILE 46 HB ILE 46 2.972 1.128 -5.748 332 HG12 ILE 46 HG12 ILE 46 3.570 1.185 -8.223 333 HG13 ILE 46 HG11 ILE 46 1.907 0.711 -8.542 334 HG21 ILE 46 HG21 ILE 46 2.767 -1.484 -7.234 335 HG22 ILE 46 HG22 ILE 46 3.324 -1.246 -5.575 336 HG23 ILE 46 HG23 ILE 46 4.272 -0.616 -6.922 337 HD11 ILE 46 HD11 ILE 46 1.135 2.757 -7.421 338 HD12 ILE 46 HD12 ILE 46 2.168 3.093 -8.810 339 HD13 ILE 46 HD13 ILE 46 2.815 3.232 -7.174 340 H LEU 47 H LEU 47 -0.268 -1.877 -5.930 341 HA LEU 47 HA LEU 47 0.234 -2.352 -3.083 342 HB2 LEU 47 HB2 LEU 47 -2.089 -2.413 -4.319 343 HB3 LEU 47 HB1 LEU 47 -1.566 -3.989 -4.863 344 HG LEU 47 HG LEU 47 -3.052 -4.240 -2.986 345 HD11 LEU 47 HD11 LEU 47 -1.332 -5.883 -3.067 346 HD12 LEU 47 HD12 LEU 47 -1.627 -5.456 -1.383 347 HD13 LEU 47 HD13 LEU 47 -0.206 -4.825 -2.218 348 HD21 LEU 47 HD21 LEU 47 -2.534 -3.337 -0.776 349 HD22 LEU 47 HD22 LEU 47 -2.783 -2.063 -1.971 350 HD23 LEU 47 HD23 LEU 47 -1.149 -2.479 -1.453 351 H ARG 48 H ARG 48 1.923 -3.610 -2.620 352 HA ARG 48 HA ARG 48 2.517 -5.853 -4.439 353 HB2 ARG 48 HB2 ARG 48 4.525 -4.242 -2.850 354 HB3 ARG 48 HB1 ARG 48 4.891 -5.614 -3.885 355 HG2 ARG 48 HG2 ARG 48 4.006 -4.330 -5.813 356 HG3 ARG 48 HG1 ARG 48 3.810 -2.943 -4.744 357 HD2 ARG 48 HD2 ARG 48 6.392 -4.340 -5.425 358 HD3 ARG 48 HD1 ARG 48 5.873 -2.749 -5.983 359 HE ARG 48 HE ARG 48 5.883 -2.749 -3.190 360 HH11 ARG 48 HH11 ARG 48 8.116 -2.906 -5.869 361 HH12 ARG 48 HH12 ARG 48 9.412 -2.136 -5.010 362 HH21 ARG 48 HH21 ARG 48 7.605 -1.723 -2.039 363 HH22 ARG 48 HH22 ARG 48 9.114 -1.449 -2.841 364 H TRP 49 H TRP 49 2.448 -7.793 -3.532 365 HA TRP 49 HA TRP 49 2.711 -7.963 -0.612 366 HB2 TRP 49 HB2 TRP 49 0.915 -9.617 -0.528 367 HB3 TRP 49 HB1 TRP 49 0.334 -8.094 -1.185 368 HD1 TRP 49 HD1 TRP 49 0.581 -11.755 -1.963 369 HE1 TRP 49 HE1 TRP 49 -0.486 -12.229 -4.262 370 HE3 TRP 49 HE3 TRP 49 0.080 -6.954 -3.633 371 HZ2 TRP 49 HZ2 TRP 49 -1.412 -10.759 -6.481 372 HZ3 TRP 49 HZ3 TRP 49 -0.911 -6.571 -5.850 373 HH2 TRP 49 HH2 TRP 49 -1.640 -8.434 -7.246 374 H ARG 50 H ARG 50 3.736 -9.723 0.202 375 HA ARG 50 HA ARG 50 4.720 -11.736 -1.699 376 HB2 ARG 50 HB2 ARG 50 6.501 -10.049 -1.266 377 HB3 ARG 50 HB1 ARG 50 6.401 -10.430 0.449 378 HG2 ARG 50 HG2 ARG 50 6.981 -12.800 -0.142 379 HG3 ARG 50 HG1 ARG 50 7.303 -12.233 -1.780 380 HD2 ARG 50 HD2 ARG 50 9.376 -12.341 -0.570 381 HD3 ARG 50 HD1 ARG 50 8.969 -10.650 -0.856 382 HE ARG 50 HE ARG 50 8.217 -10.557 1.480 383 HH11 ARG 50 HH11 ARG 50 10.326 -13.193 0.552 384 HH12 ARG 50 HH12 ARG 50 10.943 -13.432 2.151 385 HH21 ARG 50 HH21 ARG 50 9.019 -10.864 3.583 386 HH22 ARG 50 HH22 ARG 50 10.214 -12.099 3.876 387 HA PRO 51 HA PRO 51 3.272 -14.434 1.593 388 HB2 PRO 51 HB2 PRO 51 4.739 -16.529 0.156 389 HB3 PRO 51 HB1 PRO 51 3.009 -16.404 0.482 390 HG2 PRO 51 HG2 PRO 51 4.052 -16.091 -1.993 391 HG3 PRO 51 HG1 PRO 51 2.595 -15.239 -1.455 392 HD2 PRO 51 HD2 PRO 51 5.395 -14.231 -1.716 393 HD3 PRO 51 HD1 PRO 51 3.859 -13.410 -2.062 394 H LYS 52 H LYS 52 4.246 -14.770 3.489 395 HA LYS 52 HA LYS 52 6.995 -14.292 3.908 396 HB2 LYS 52 HB2 LYS 52 4.827 -15.483 5.617 397 HB3 LYS 52 HB1 LYS 52 6.478 -15.339 6.200 398 HG2 LYS 52 HG2 LYS 52 4.803 -13.037 5.220 399 HG3 LYS 52 HG1 LYS 52 4.994 -13.490 6.914 400 HD2 LYS 52 HD2 LYS 52 7.288 -12.771 5.092 401 HD3 LYS 52 HD1 LYS 52 6.480 -11.624 6.157 402 HE2 LYS 52 HE2 LYS 52 7.833 -14.156 7.080 403 HE3 LYS 52 HE1 LYS 52 8.576 -12.560 7.100 404 HZ1 LYS 52 HZ1 LYS 52 7.671 -13.112 9.255 405 HZ2 LYS 52 HZ2 LYS 52 6.138 -13.363 8.593 406 HZ3 LYS 52 HZ3 LYS 52 6.814 -11.814 8.593 407 H ASN 53 H ASN 53 5.229 -17.127 3.129 408 HA ASN 53 HA ASN 53 7.241 -19.003 3.936 409 HB2 ASN 53 HB2 ASN 53 4.963 -19.749 3.899 410 HB3 ASN 53 HB1 ASN 53 4.755 -19.227 2.234 411 HD21 ASN 53 HD21 ASN 53 5.391 -20.532 0.597 412 HD22 ASN 53 HD22 ASN 53 5.979 -22.140 0.828 413 H SER 54 H SER 54 6.811 -16.912 1.301 414 HA SER 54 HA SER 54 8.524 -18.514 -0.456 415 HB2 SER 54 HB2 SER 54 6.882 -16.037 -1.042 416 HB3 SER 54 HB1 SER 54 7.809 -16.957 -2.226 417 HG SER 54 HG SER 54 5.647 -17.600 -2.272 418 H VAL 55 H VAL 55 10.311 -17.443 -1.544 419 HA VAL 55 HA VAL 55 11.436 -15.221 0.036 420 HB VAL 55 HB VAL 55 13.689 -16.227 -0.306 421 HG11 VAL 55 HG11 VAL 55 11.705 -17.939 1.186 422 HG12 VAL 55 HG12 VAL 55 12.543 -16.519 1.813 423 HG13 VAL 55 HG13 VAL 55 13.454 -17.974 1.409 424 HG21 VAL 55 HG21 VAL 55 12.127 -18.631 -1.249 425 HG22 VAL 55 HG22 VAL 55 13.864 -18.584 -0.941 426 HG23 VAL 55 HG23 VAL 55 13.172 -17.620 -2.247 427 H GLY 56 H GLY 56 10.043 -15.543 -2.655 428 HA2 GLY 56 HA2 GLY 56 12.175 -14.774 -4.497 429 HA3 GLY 56 HA1 GLY 56 10.521 -15.180 -4.931 430 H ARG 57 H ARG 57 9.477 -13.529 -5.742 431 HA ARG 57 HA ARG 57 10.307 -10.814 -5.001 432 HB2 ARG 57 HB2 ARG 57 8.898 -11.873 -7.443 433 HB3 ARG 57 HB1 ARG 57 9.187 -10.166 -7.133 434 HG2 ARG 57 HG2 ARG 57 11.582 -10.551 -7.140 435 HG3 ARG 57 HG1 ARG 57 11.312 -12.274 -7.405 436 HD2 ARG 57 HD2 ARG 57 11.851 -11.191 -9.490 437 HD3 ARG 57 HD1 ARG 57 10.183 -11.754 -9.512 438 HE ARG 57 HE ARG 57 10.335 -9.050 -8.660 439 HH11 ARG 57 HH11 ARG 57 10.544 -11.058 -11.522 440 HH12 ARG 57 HH12 ARG 57 9.992 -9.809 -12.589 441 HH21 ARG 57 HH21 ARG 57 9.623 -7.406 -10.064 442 HH22 ARG 57 HH22 ARG 57 9.475 -7.727 -11.762 443 H TRP 58 H TRP 58 8.572 -9.157 -5.162 444 HA TRP 58 HA TRP 58 6.167 -10.022 -3.754 445 HB2 TRP 58 HB2 TRP 58 7.122 -7.246 -4.507 446 HB3 TRP 58 HB1 TRP 58 5.717 -7.604 -3.518 447 HD1 TRP 58 HD1 TRP 58 9.492 -8.544 -3.311 448 HE1 TRP 58 HE1 TRP 58 10.245 -8.211 -0.874 449 HE3 TRP 58 HE3 TRP 58 5.059 -6.981 -1.309 450 HZ2 TRP 58 HZ2 TRP 58 9.106 -7.382 1.572 451 HZ3 TRP 58 HZ3 TRP 58 4.977 -6.434 1.087 452 HH2 TRP 58 HH2 TRP 58 6.962 -6.631 2.496 453 H LYS 59 H LYS 59 4.159 -10.027 -4.680 454 HA LYS 59 HA LYS 59 4.030 -9.719 -7.554 455 HB2 LYS 59 HB2 LYS 59 1.779 -10.362 -5.637 456 HB3 LYS 59 HB1 LYS 59 1.801 -10.631 -7.376 457 HG2 LYS 59 HG2 LYS 59 3.678 -12.225 -7.050 458 HG3 LYS 59 HG1 LYS 59 3.487 -12.027 -5.309 459 HD2 LYS 59 HD2 LYS 59 2.333 -14.016 -5.931 460 HD3 LYS 59 HD1 LYS 59 1.113 -12.793 -5.576 461 HE2 LYS 59 HE2 LYS 59 0.705 -12.418 -7.892 462 HE3 LYS 59 HE1 LYS 59 2.103 -13.385 -8.357 463 HZ1 LYS 59 HZ1 LYS 59 -0.371 -14.395 -7.063 464 HZ2 LYS 59 HZ2 LYS 59 0.980 -15.338 -7.432 465 HZ3 LYS 59 HZ3 LYS 59 0.080 -14.628 -8.676 466 H GLU 60 H GLU 60 2.745 -8.170 -8.654 467 HA GLU 60 HA GLU 60 2.412 -5.740 -7.020 468 HB2 GLU 60 HB2 GLU 60 3.479 -5.924 -9.837 469 HB3 GLU 60 HB1 GLU 60 3.332 -4.463 -8.873 470 HG2 GLU 60 HG2 GLU 60 5.040 -5.152 -7.394 471 HG3 GLU 60 HG1 GLU 60 5.038 -6.790 -8.048 472 H ALA 61 H ALA 61 0.558 -4.680 -7.195 473 HA ALA 61 HA ALA 61 -0.963 -4.865 -9.709 474 HB1 ALA 61 HB1 ALA 61 -3.058 -4.865 -8.451 475 HB2 ALA 61 HB2 ALA 61 -2.158 -4.891 -6.935 476 HB3 ALA 61 HB3 ALA 61 -2.077 -6.269 -8.033 477 H THR 62 H THR 62 -1.561 -2.913 -10.510 478 HA THR 62 HA THR 62 -0.977 -0.563 -8.844 479 HB THR 62 HB THR 62 -1.288 -0.658 -11.851 480 HG1 THR 62 HG1 THR 62 0.540 -1.881 -11.063 481 HG21 THR 62 HG21 THR 62 -0.155 1.517 -11.774 482 HG22 THR 62 HG22 THR 62 -0.111 1.434 -10.013 483 HG23 THR 62 HG23 THR 62 -1.658 1.552 -10.852 484 H ILE 63 H ILE 63 -2.599 0.605 -8.100 485 HA ILE 63 HA ILE 63 -5.283 0.216 -9.267 486 HB ILE 63 HB ILE 63 -4.570 1.093 -6.457 487 HG12 ILE 63 HG12 ILE 63 -5.769 -1.199 -5.981 488 HG13 ILE 63 HG11 ILE 63 -5.247 -1.585 -7.615 489 HG21 ILE 63 HG21 ILE 63 -6.701 1.993 -7.262 490 HG22 ILE 63 HG22 ILE 63 -6.932 0.821 -5.964 491 HG23 ILE 63 HG23 ILE 63 -7.242 0.357 -7.635 492 HD11 ILE 63 HD11 ILE 63 -2.929 -1.160 -6.963 493 HD12 ILE 63 HD12 ILE 63 -3.674 -2.417 -5.975 494 HD13 ILE 63 HD13 ILE 63 -3.464 -0.792 -5.323 495 HA PRO 64 HA PRO 64 -5.206 4.544 -10.501 496 HB2 PRO 64 HB2 PRO 64 -8.151 4.290 -10.099 497 HB3 PRO 64 HB1 PRO 64 -7.246 4.860 -11.509 498 HG2 PRO 64 HG2 PRO 64 -8.398 2.457 -11.504 499 HG3 PRO 64 HG1 PRO 64 -6.825 2.723 -12.280 500 HD2 PRO 64 HD2 PRO 64 -7.458 1.422 -9.668 501 HD3 PRO 64 HD1 PRO 64 -6.215 1.009 -10.864 502 H GLY 65 H GLY 65 -5.116 6.419 -9.376 503 HA2 GLY 65 HA2 GLY 65 -5.347 6.417 -6.559 504 HA3 GLY 65 HA1 GLY 65 -5.110 7.836 -7.569 505 H HIS 66 H HIS 66 -7.694 6.738 -8.929 506 HA HIS 66 HA HIS 66 -9.569 8.339 -7.496 507 HB2 HIS 66 HB2 HIS 66 -9.798 8.245 -9.855 508 HB3 HIS 66 HB1 HIS 66 -9.737 6.490 -9.869 509 HD1 HIS 66 HD1 HIS 66 -12.066 9.290 -8.793 510 HD2 HIS 66 HD2 HIS 66 -12.138 5.272 -9.858 511 HE1 HIS 66 HE1 HIS 66 -14.501 8.671 -8.919 512 HE2 HIS 66 HE2 HIS 66 -14.525 6.209 -9.460 513 H LEU 67 H LEU 67 -8.534 5.080 -7.228 514 HA LEU 67 HA LEU 67 -11.039 4.251 -5.946 515 HB2 LEU 67 HB2 LEU 67 -8.605 2.610 -6.649 516 HB3 LEU 67 HB1 LEU 67 -10.105 1.985 -6.001 517 HG LEU 67 HG LEU 67 -9.633 3.160 -8.731 518 HD11 LEU 67 HD11 LEU 67 -10.410 0.985 -9.497 519 HD12 LEU 67 HD12 LEU 67 -10.602 0.460 -7.825 520 HD13 LEU 67 HD13 LEU 67 -8.998 0.832 -8.453 521 HD21 LEU 67 HD21 LEU 67 -12.254 2.385 -7.463 522 HD22 LEU 67 HD22 LEU 67 -12.017 2.804 -9.158 523 HD23 LEU 67 HD23 LEU 67 -11.753 4.016 -7.905 524 H ASN 68 H ASN 68 -10.606 2.690 -4.003 525 HA ASN 68 HA ASN 68 -8.370 3.555 -2.349 526 HB2 ASN 68 HB2 ASN 68 -9.719 4.239 -0.477 527 HB3 ASN 68 HB1 ASN 68 -10.231 5.157 -1.885 528 HD21 ASN 68 HD21 ASN 68 -11.645 4.578 0.584 529 HD22 ASN 68 HD22 ASN 68 -13.115 3.793 0.124 530 H SER 69 H SER 69 -9.556 1.078 -3.673 531 HA SER 69 HA SER 69 -8.836 -0.730 -1.588 532 HB2 SER 69 HB2 SER 69 -11.040 -1.966 -1.611 533 HB3 SER 69 HB1 SER 69 -11.079 -0.395 -0.809 534 HG SER 69 HG SER 69 -11.637 0.075 -3.320 535 H TYR 70 H TYR 70 -8.583 -2.882 -2.329 536 HA TYR 70 HA TYR 70 -9.177 -3.413 -5.139 537 HB2 TYR 70 HB2 TYR 70 -6.881 -2.557 -5.157 538 HB3 TYR 70 HB1 TYR 70 -6.414 -3.727 -3.930 539 HD1 TYR 70 HD1 TYR 70 -7.846 -3.559 -7.379 540 HD2 TYR 70 HD2 TYR 70 -5.496 -5.748 -4.592 541 HE1 TYR 70 HE1 TYR 70 -7.277 -5.181 -9.140 542 HE2 TYR 70 HE2 TYR 70 -4.920 -7.375 -6.343 543 HH TYR 70 HH TYR 70 -5.474 -6.820 -9.626 544 H THR 71 H THR 71 -9.572 -5.560 -5.582 545 HA THR 71 HA THR 71 -9.733 -7.322 -3.249 546 HB THR 71 HB THR 71 -10.876 -7.787 -6.008 547 HG1 THR 71 HG1 THR 71 -11.594 -5.966 -4.223 548 HG21 THR 71 HG21 THR 71 -10.673 -9.796 -4.618 549 HG22 THR 71 HG22 THR 71 -12.365 -9.346 -4.839 550 HG23 THR 71 HG23 THR 71 -11.549 -8.987 -3.318 551 H ILE 72 H ILE 72 -7.771 -8.263 -2.965 552 HA ILE 72 HA ILE 72 -6.149 -9.082 -5.205 553 HB ILE 72 HB ILE 72 -5.735 -9.728 -2.280 554 HG12 ILE 72 HG12 ILE 72 -4.615 -7.443 -3.922 555 HG13 ILE 72 HG11 ILE 72 -5.828 -7.291 -2.656 556 HG21 ILE 72 HG21 ILE 72 -4.484 -11.169 -3.794 557 HG22 ILE 72 HG22 ILE 72 -3.397 -10.068 -2.945 558 HG23 ILE 72 HG23 ILE 72 -3.836 -9.755 -4.625 559 HD11 ILE 72 HD11 ILE 72 -2.938 -8.047 -2.367 560 HD12 ILE 72 HD12 ILE 72 -4.116 -8.244 -1.074 561 HD13 ILE 72 HD13 ILE 72 -3.767 -6.631 -1.709 562 H LYS 73 H LYS 73 -6.808 -10.782 -6.341 563 HA LYS 73 HA LYS 73 -7.942 -13.098 -4.945 564 HB2 LYS 73 HB2 LYS 73 -7.858 -12.412 -7.893 565 HB3 LYS 73 HB1 LYS 73 -8.609 -13.848 -7.212 566 HG2 LYS 73 HG2 LYS 73 -10.228 -12.491 -6.037 567 HG3 LYS 73 HG1 LYS 73 -9.435 -11.017 -6.600 568 HD2 LYS 73 HD2 LYS 73 -9.962 -11.596 -8.905 569 HD3 LYS 73 HD1 LYS 73 -10.706 -13.103 -8.372 570 HE2 LYS 73 HE2 LYS 73 -11.636 -10.348 -7.576 571 HE3 LYS 73 HE1 LYS 73 -12.347 -11.313 -8.869 572 HZ1 LYS 73 HZ1 LYS 73 -13.628 -11.563 -6.875 573 HZ2 LYS 73 HZ2 LYS 73 -12.269 -12.014 -5.984 574 HZ3 LYS 73 HZ3 LYS 73 -12.854 -13.027 -7.202 575 H GLY 74 H GLY 74 -6.660 -14.781 -4.536 576 HA2 GLY 74 HA2 GLY 74 -5.206 -16.476 -5.644 577 HA3 GLY 74 HA1 GLY 74 -4.250 -15.117 -6.215 578 H LEU 75 H LEU 75 -5.626 -15.257 -3.004 579 HA LEU 75 HA LEU 75 -2.907 -15.476 -1.925 580 HB2 LEU 75 HB2 LEU 75 -5.444 -14.455 -0.642 581 HB3 LEU 75 HB1 LEU 75 -3.897 -14.584 0.173 582 HG LEU 75 HG LEU 75 -4.552 -12.765 -2.152 583 HD11 LEU 75 HD11 LEU 75 -4.135 -10.983 -0.550 584 HD12 LEU 75 HD12 LEU 75 -3.861 -12.179 0.718 585 HD13 LEU 75 HD13 LEU 75 -5.456 -12.025 -0.019 586 HD21 LEU 75 HD21 LEU 75 -2.275 -11.889 -1.836 587 HD22 LEU 75 HD22 LEU 75 -2.281 -13.568 -2.374 588 HD23 LEU 75 HD23 LEU 75 -1.953 -13.185 -0.684 589 H LYS 76 H LYS 76 -2.312 -17.314 -1.048 590 HA LYS 76 HA LYS 76 -4.066 -19.538 -0.828 591 HB2 LYS 76 HB2 LYS 76 -1.276 -19.206 0.278 592 HB3 LYS 76 HB1 LYS 76 -2.118 -20.727 0.023 593 HG2 LYS 76 HG2 LYS 76 -2.084 -20.387 -2.365 594 HG3 LYS 76 HG1 LYS 76 -1.342 -18.800 -2.152 595 HD2 LYS 76 HD2 LYS 76 0.619 -19.835 -1.151 596 HD3 LYS 76 HD1 LYS 76 -0.124 -21.428 -1.306 597 HE2 LYS 76 HE2 LYS 76 0.579 -19.580 -3.581 598 HE3 LYS 76 HE1 LYS 76 1.499 -21.000 -3.086 599 HZ1 LYS 76 HZ1 LYS 76 -1.282 -20.994 -4.125 600 HZ2 LYS 76 HZ2 LYS 76 -0.453 -22.362 -3.584 601 HZ3 LYS 76 HZ3 LYS 76 0.093 -21.530 -4.948 602 HA PRO 77 HA PRO 77 -5.440 -18.846 3.397 603 HB2 PRO 77 HB2 PRO 77 -6.303 -21.647 3.281 604 HB3 PRO 77 HB1 PRO 77 -7.271 -20.188 3.505 605 HG2 PRO 77 HG2 PRO 77 -7.365 -21.613 1.229 606 HG3 PRO 77 HG1 PRO 77 -7.524 -19.846 1.237 607 HD2 PRO 77 HD2 PRO 77 -5.135 -21.532 0.574 608 HD3 PRO 77 HD1 PRO 77 -5.755 -20.083 -0.246 609 H GLY 78 H GLY 78 -4.306 -19.074 5.234 610 HA2 GLY 78 HA2 GLY 78 -3.202 -20.304 6.918 611 HA3 GLY 78 HA1 GLY 78 -2.884 -21.579 5.750 612 H VAL 79 H VAL 79 -2.239 -18.525 4.506 613 HA VAL 79 HA VAL 79 0.632 -18.826 5.091 614 HB VAL 79 HB VAL 79 -0.620 -17.783 2.536 615 HG11 VAL 79 HG11 VAL 79 1.648 -17.793 1.647 616 HG12 VAL 79 HG12 VAL 79 2.268 -18.284 3.223 617 HG13 VAL 79 HG13 VAL 79 1.510 -16.703 3.029 618 HG21 VAL 79 HG21 VAL 79 -0.893 -20.183 2.706 619 HG22 VAL 79 HG22 VAL 79 0.820 -20.368 3.089 620 HG23 VAL 79 HG23 VAL 79 0.332 -19.795 1.493 621 H VAL 80 H VAL 80 1.747 -17.003 5.668 622 HA VAL 80 HA VAL 80 0.162 -14.608 6.218 623 HB VAL 80 HB VAL 80 3.020 -15.198 7.021 624 HG11 VAL 80 HG11 VAL 80 1.059 -13.129 8.004 625 HG12 VAL 80 HG12 VAL 80 2.497 -12.829 7.029 626 HG13 VAL 80 HG13 VAL 80 2.659 -13.425 8.681 627 HG21 VAL 80 HG21 VAL 80 2.090 -15.718 9.246 628 HG22 VAL 80 HG22 VAL 80 1.569 -16.856 8.006 629 HG23 VAL 80 HG23 VAL 80 0.465 -15.603 8.571 630 H TYR 81 H TYR 81 0.626 -12.605 5.317 631 HA TYR 81 HA TYR 81 2.640 -12.607 3.160 632 HB2 TYR 81 HB2 TYR 81 -0.161 -11.477 3.069 633 HB3 TYR 81 HB1 TYR 81 1.066 -11.165 1.851 634 HD1 TYR 81 HD1 TYR 81 -0.873 -13.892 3.457 635 HD2 TYR 81 HD2 TYR 81 1.359 -12.641 0.062 636 HE1 TYR 81 HE1 TYR 81 -1.560 -15.923 2.266 637 HE2 TYR 81 HE2 TYR 81 0.678 -14.675 -1.138 638 HH TYR 81 HH TYR 81 -1.627 -16.938 0.289 639 H GLU 82 H GLU 82 3.678 -10.685 2.737 640 HA GLU 82 HA GLU 82 3.259 -8.494 4.657 641 HB2 GLU 82 HB2 GLU 82 5.527 -8.940 2.702 642 HB3 GLU 82 HB1 GLU 82 5.431 -7.651 3.892 643 HG2 GLU 82 HG2 GLU 82 5.456 -9.367 5.671 644 HG3 GLU 82 HG1 GLU 82 5.695 -10.595 4.429 645 H GLY 83 H GLY 83 2.613 -6.479 3.934 646 HA2 GLY 83 HA2 GLY 83 2.115 -6.272 1.033 647 HA3 GLY 83 HA1 GLY 83 0.900 -5.810 2.215 648 H GLN 84 H GLN 84 2.520 -4.389 0.068 649 HA GLN 84 HA GLN 84 3.216 -2.073 1.755 650 HB2 GLN 84 HB2 GLN 84 4.521 -2.936 -0.833 651 HB3 GLN 84 HB1 GLN 84 4.831 -1.410 -0.023 652 HG2 GLN 84 HG2 GLN 84 5.719 -2.617 1.904 653 HG3 GLN 84 HG1 GLN 84 5.408 -4.147 1.081 654 HE21 GLN 84 HE21 GLN 84 6.668 -4.721 -0.692 655 HE22 GLN 84 HE22 GLN 84 8.189 -3.968 -1.025 656 H LEU 85 H LEU 85 1.799 -0.476 1.447 657 HA LEU 85 HA LEU 85 0.497 -0.218 -1.171 658 HB2 LEU 85 HB2 LEU 85 -0.857 -0.269 0.976 659 HB3 LEU 85 HB1 LEU 85 -0.135 1.271 1.384 660 HG LEU 85 HG LEU 85 -2.474 1.351 0.423 661 HD11 LEU 85 HD11 LEU 85 -0.371 2.880 -1.096 662 HD12 LEU 85 HD12 LEU 85 -1.015 3.320 0.487 663 HD13 LEU 85 HD13 LEU 85 -2.071 3.316 -0.924 664 HD21 LEU 85 HD21 LEU 85 -2.144 -0.365 -1.297 665 HD22 LEU 85 HD22 LEU 85 -1.039 0.713 -2.148 666 HD23 LEU 85 HD23 LEU 85 -2.738 1.150 -1.971 667 H ILE 86 H ILE 86 1.792 0.887 -2.500 668 HA ILE 86 HA ILE 86 3.258 3.217 -1.461 669 HB ILE 86 HB ILE 86 3.608 1.949 -4.170 670 HG12 ILE 86 HG12 ILE 86 5.435 1.363 -1.872 671 HG13 ILE 86 HG11 ILE 86 3.949 0.436 -2.050 672 HG21 ILE 86 HG21 ILE 86 5.808 3.019 -4.080 673 HG22 ILE 86 HG22 ILE 86 5.436 3.660 -2.479 674 HG23 ILE 86 HG23 ILE 86 4.519 4.209 -3.882 675 HD11 ILE 86 HD11 ILE 86 6.066 0.700 -4.166 676 HD12 ILE 86 HD12 ILE 86 4.629 -0.326 -4.222 677 HD13 ILE 86 HD13 ILE 86 5.906 -0.657 -3.051 678 H SER 87 H SER 87 2.095 5.031 -1.651 679 HA SER 87 HA SER 87 0.311 5.368 -3.932 680 HB2 SER 87 HB2 SER 87 0.788 7.167 -1.548 681 HB3 SER 87 HB1 SER 87 -0.486 7.359 -2.754 682 HG SER 87 HG SER 87 -0.272 4.915 -1.420 683 H ILE 88 H ILE 88 1.019 6.271 -5.731 684 HA ILE 88 HA ILE 88 3.303 8.104 -5.666 685 HB ILE 88 HB ILE 88 1.754 7.143 -8.081 686 HG12 ILE 88 HG12 ILE 88 2.751 5.228 -6.928 687 HG13 ILE 88 HG11 ILE 88 3.580 5.540 -8.448 688 HG21 ILE 88 HG21 ILE 88 3.006 9.194 -8.457 689 HG22 ILE 88 HG22 ILE 88 3.744 7.851 -9.331 690 HG23 ILE 88 HG23 ILE 88 4.470 8.434 -7.834 691 HD11 ILE 88 HD11 ILE 88 5.162 4.975 -6.721 692 HD12 ILE 88 HD12 ILE 88 4.553 6.276 -5.699 693 HD13 ILE 88 HD13 ILE 88 5.380 6.655 -7.209 694 H GLN 89 H GLN 89 2.800 10.157 -5.223 695 HA GLN 89 HA GLN 89 0.105 11.079 -5.845 696 HB2 GLN 89 HB2 GLN 89 2.245 12.249 -4.074 697 HB3 GLN 89 HB1 GLN 89 0.662 12.972 -4.334 698 HG2 GLN 89 HG2 GLN 89 -0.390 10.950 -3.433 699 HG3 GLN 89 HG1 GLN 89 1.208 10.275 -3.121 700 HE21 GLN 89 HE21 GLN 89 2.422 11.068 -1.438 701 HE22 GLN 89 HE22 GLN 89 1.762 12.089 -0.208 702 H GLN 90 H GLN 90 -0.199 13.312 -6.558 703 HA GLN 90 HA GLN 90 0.753 13.753 -9.079 704 HB2 GLN 90 HB2 GLN 90 -1.188 14.896 -8.157 705 HB3 GLN 90 HB1 GLN 90 -0.160 15.812 -7.064 706 HG2 GLN 90 HG2 GLN 90 0.961 16.761 -9.113 707 HG3 GLN 90 HG1 GLN 90 -0.340 16.032 -10.052 708 HE21 GLN 90 HE21 GLN 90 -2.306 16.521 -7.918 709 HE22 GLN 90 HE22 GLN 90 -2.662 18.211 -7.993 710 H TYR 91 H TYR 91 2.080 15.074 -6.081 711 HA TYR 91 HA TYR 91 3.966 16.734 -7.484 712 HB2 TYR 91 HB2 TYR 91 3.741 16.149 -4.525 713 HB3 TYR 91 HB1 TYR 91 4.667 17.453 -5.260 714 HD1 TYR 91 HD1 TYR 91 3.564 19.444 -6.099 715 HD2 TYR 91 HD2 TYR 91 1.298 16.257 -4.417 716 HE1 TYR 91 HE1 TYR 91 1.602 20.921 -5.952 717 HE2 TYR 91 HE2 TYR 91 -0.664 17.724 -4.266 718 HH TYR 91 HH TYR 91 -0.890 20.683 -5.846 719 H GLY 92 H GLY 92 3.983 13.552 -7.209 720 HA2 GLY 92 HA2 GLY 92 5.750 12.120 -7.723 721 HA3 GLY 92 HA1 GLY 92 6.880 13.420 -7.362 722 H HIS 93 H HIS 93 4.733 13.260 -4.875 723 HA HIS 93 HA HIS 93 6.627 12.186 -3.039 724 HB2 HIS 93 HB2 HIS 93 4.245 13.692 -2.896 725 HB3 HIS 93 HB1 HIS 93 3.925 12.212 -2.005 726 HD1 HIS 93 HD1 HIS 93 5.232 11.845 0.210 727 HD2 HIS 93 HD2 HIS 93 6.102 15.422 -1.733 728 HE1 HIS 93 HE1 HIS 93 6.455 13.257 1.888 729 HE2 HIS 93 HE2 HIS 93 6.788 15.478 0.755 730 H GLN 94 H GLN 94 7.025 10.070 -2.721 731 HA GLN 94 HA GLN 94 4.901 8.140 -3.368 732 HB2 GLN 94 HB2 GLN 94 7.863 7.680 -2.960 733 HB3 GLN 94 HB1 GLN 94 6.690 6.444 -3.384 734 HG2 GLN 94 HG2 GLN 94 6.265 7.552 -5.502 735 HG3 GLN 94 HG1 GLN 94 7.403 8.822 -5.073 736 HE21 GLN 94 HE21 GLN 94 7.457 7.011 -7.339 737 HE22 GLN 94 HE22 GLN 94 8.952 6.147 -7.234 738 H GLU 95 H GLU 95 3.810 7.322 -1.725 739 HA GLU 95 HA GLU 95 5.092 7.331 0.925 740 HB2 GLU 95 HB2 GLU 95 2.150 7.512 0.251 741 HB3 GLU 95 HB1 GLU 95 2.828 7.492 1.874 742 HG2 GLU 95 HG2 GLU 95 3.147 9.624 -0.220 743 HG3 GLU 95 HG1 GLU 95 2.305 9.743 1.326 744 H VAL 96 H VAL 96 5.685 5.375 1.541 745 HA VAL 96 HA VAL 96 4.163 3.063 0.565 746 HB VAL 96 HB VAL 96 6.826 3.049 1.996 747 HG11 VAL 96 HG11 VAL 96 5.390 0.927 0.401 748 HG12 VAL 96 HG12 VAL 96 5.630 0.940 2.149 749 HG13 VAL 96 HG13 VAL 96 7.015 0.775 1.069 750 HG21 VAL 96 HG21 VAL 96 6.250 2.990 -0.964 751 HG22 VAL 96 HG22 VAL 96 7.823 2.673 -0.232 752 HG23 VAL 96 HG23 VAL 96 7.082 4.265 -0.074 753 H THR 97 H THR 97 2.507 2.686 1.891 754 HA THR 97 HA THR 97 2.986 2.712 4.785 755 HB THR 97 HB THR 97 0.354 2.450 3.310 756 HG1 THR 97 HG1 THR 97 0.172 4.711 4.164 757 HG21 THR 97 HG21 THR 97 0.985 3.040 6.206 758 HG22 THR 97 HG22 THR 97 0.307 1.537 5.578 759 HG23 THR 97 HG23 THR 97 -0.626 3.032 5.490 760 H ARG 98 H ARG 98 3.624 0.822 5.591 761 HA ARG 98 HA ARG 98 3.155 -1.595 4.079 762 HB2 ARG 98 HB2 ARG 98 4.741 -1.056 6.582 763 HB3 ARG 98 HB1 ARG 98 4.537 -2.663 5.903 764 HG2 ARG 98 HG2 ARG 98 5.515 -1.724 3.758 765 HG3 ARG 98 HG1 ARG 98 5.963 -0.309 4.711 766 HD2 ARG 98 HD2 ARG 98 7.315 -1.633 6.174 767 HD3 ARG 98 HD1 ARG 98 6.736 -3.127 5.440 768 HE ARG 98 HE ARG 98 8.175 -1.233 3.741 769 HH11 ARG 98 HH11 ARG 98 8.171 -4.251 5.529 770 HH12 ARG 98 HH12 ARG 98 9.575 -4.873 4.721 771 HH21 ARG 98 HH21 ARG 98 10.020 -2.069 2.672 772 HH22 ARG 98 HH22 ARG 98 10.623 -3.640 3.107 773 H PHE 99 H PHE 99 2.112 -3.397 4.774 774 HA PHE 99 HA PHE 99 0.762 -3.372 7.343 775 HB2 PHE 99 HB2 PHE 99 -1.410 -3.998 6.359 776 HB3 PHE 99 HB1 PHE 99 -0.913 -2.391 5.857 777 HD1 PHE 99 HD1 PHE 99 -1.659 -5.779 4.792 778 HD2 PHE 99 HD2 PHE 99 -0.199 -1.979 3.546 779 HE1 PHE 99 HE1 PHE 99 -2.028 -6.412 2.444 780 HE2 PHE 99 HE2 PHE 99 -0.561 -2.609 1.196 781 HZ PHE 99 HZ PHE 99 -1.477 -4.825 0.642 782 H ASP 100 H ASP 100 -0.296 -5.553 7.709 783 HA ASP 100 HA ASP 100 1.248 -7.670 6.361 784 HB2 ASP 100 HB2 ASP 100 0.457 -7.525 9.283 785 HB3 ASP 100 HB1 ASP 100 1.180 -8.932 8.513 786 H PHE 101 H PHE 101 0.142 -9.649 6.038 787 HA PHE 101 HA PHE 101 -2.738 -9.521 6.599 788 HB2 PHE 101 HB2 PHE 101 -2.622 -9.057 4.273 789 HB3 PHE 101 HB1 PHE 101 -1.410 -10.307 4.008 790 HD1 PHE 101 HD1 PHE 101 -4.874 -10.002 5.364 791 HD2 PHE 101 HD2 PHE 101 -2.123 -12.260 3.037 792 HE1 PHE 101 HE1 PHE 101 -6.650 -11.621 4.842 793 HE2 PHE 101 HE2 PHE 101 -3.893 -13.884 2.510 794 HZ PHE 101 HZ PHE 101 -6.160 -13.566 3.412 795 H THR 102 H THR 102 -3.614 -11.246 7.427 796 HA THR 102 HA THR 102 -2.234 -13.826 7.296 797 HB THR 102 HB THR 102 -3.206 -14.129 9.704 798 HG1 THR 102 HG1 THR 102 -3.961 -12.368 10.609 799 HG21 THR 102 HG21 THR 102 -0.803 -12.364 9.206 800 HG22 THR 102 HG22 THR 102 -0.813 -14.127 9.185 801 HG23 THR 102 HG23 THR 102 -1.129 -13.262 10.687 802 H THR 103 H THR 103 -3.616 -15.575 7.076 803 HA THR 103 HA THR 103 -6.243 -14.918 6.099 804 HB THR 103 HB THR 103 -6.369 -17.384 5.633 805 HG1 THR 103 HG1 THR 103 -4.981 -18.220 7.169 806 HG21 THR 103 HG21 THR 103 -4.024 -15.783 4.614 807 HG22 THR 103 HG22 THR 103 -5.621 -15.943 3.880 808 HG23 THR 103 HG23 THR 103 -4.522 -17.320 3.916 809 H THR 104 H THR 104 -4.926 -15.777 9.069 810 HA THR 104 HA THR 104 -7.478 -15.539 10.296 811 HB THR 104 HB THR 104 -7.636 -17.915 9.788 812 HG1 THR 104 HG1 THR 104 -8.537 -18.107 11.679 813 HG21 THR 104 HG21 THR 104 -6.074 -19.534 10.763 814 HG22 THR 104 HG22 THR 104 -5.077 -18.209 11.361 815 HG23 THR 104 HG23 THR 104 -5.262 -18.458 9.625 816 H SER 105 H SER 105 -7.232 -14.541 12.175 817 HA SER 105 HA SER 105 -4.637 -14.739 13.546 818 HB2 SER 105 HB2 SER 105 -6.379 -12.286 13.201 819 HB3 SER 105 HB1 SER 105 -4.953 -12.362 14.238 820 HG SER 105 HG SER 105 -3.697 -12.776 12.414 821 H THR 106 H THR 106 -7.388 -16.018 13.812 822 HA THR 106 HA THR 106 -7.573 -15.663 16.701 823 HB THR 106 HB THR 106 -9.240 -14.121 15.669 824 HG1 THR 106 HG1 THR 106 -10.990 -15.856 16.803 825 HG21 THR 106 HG21 THR 106 -9.771 -15.406 13.670 826 HG22 THR 106 HG22 THR 106 -11.232 -15.071 14.599 827 HG23 THR 106 HG23 THR 106 -10.498 -16.672 14.659 828 H SER 107 H SER 107 -6.798 -17.692 14.533 829 HA SER 107 HA SER 107 -8.620 -19.872 14.776 830 HB2 SER 107 HB2 SER 107 -7.030 -19.622 12.877 831 HB3 SER 107 HB1 SER 107 -5.690 -19.901 13.988 832 HG SER 107 HG SER 107 -6.254 -21.820 12.932 833 H THR 108 H THR 108 -5.442 -19.165 16.184 834 HA THR 108 HA THR 108 -6.063 -21.035 18.369 835 HB THR 108 HB THR 108 -3.341 -19.961 17.601 836 HG1 THR 108 HG1 THR 108 -4.760 -22.287 16.809 837 HG21 THR 108 HG21 THR 108 -4.165 -22.259 19.385 838 HG22 THR 108 HG22 THR 108 -3.546 -20.701 19.934 839 HG23 THR 108 HG23 THR 108 -2.509 -21.786 19.008 840 HA PRO 109 HA PRO 109 -6.516 -17.056 20.463 841 HB2 PRO 109 HB2 PRO 109 -7.907 -17.987 22.576 842 HB3 PRO 109 HB1 PRO 109 -8.647 -17.734 20.992 843 HG2 PRO 109 HG2 PRO 109 -7.701 -20.267 22.261 844 HG3 PRO 109 HG1 PRO 109 -9.158 -19.972 21.298 845 HD2 PRO 109 HD2 PRO 109 -6.878 -21.125 20.308 846 HD3 PRO 109 HD1 PRO 109 -8.045 -20.230 19.315 847 H GLY 110 H GLY 110 -4.019 -17.754 20.645 848 HA2 GLY 110 HA2 GLY 110 -3.212 -18.606 23.269 849 HA3 GLY 110 HA1 GLY 110 -2.169 -17.939 22.022 850 H SER 111 H SER 111 -3.800 -15.553 21.687 851 HA SER 111 HA SER 111 -3.742 -14.231 24.268 852 HB2 SER 111 HB2 SER 111 -1.445 -13.918 23.437 853 HB3 SER 111 HB1 SER 111 -2.076 -13.260 21.928 854 HG SER 111 HG SER 111 -1.897 -12.099 24.449 855 H ARG 112 H ARG 112 -4.995 -12.355 24.326 856 HA ARG 112 HA ARG 112 -6.970 -12.175 22.203 857 HB2 ARG 112 HB2 ARG 112 -6.765 -10.798 24.885 858 HB3 ARG 112 HB1 ARG 112 -8.094 -10.574 23.757 859 HG2 ARG 112 HG2 ARG 112 -8.735 -12.880 23.970 860 HG3 ARG 112 HG1 ARG 112 -7.318 -13.217 24.968 861 HD2 ARG 112 HD2 ARG 112 -9.559 -11.329 25.678 862 HD3 ARG 112 HD1 ARG 112 -9.350 -12.957 26.322 863 HE ARG 112 HE ARG 112 -7.099 -12.009 27.123 864 HH11 ARG 112 HH11 ARG 112 -10.086 -10.190 26.933 865 HH12 ARG 112 HH12 ARG 112 -9.646 -9.097 28.207 866 HH21 ARG 112 HH21 ARG 112 -6.515 -10.559 28.790 867 HH22 ARG 112 HH22 ARG 112 -7.611 -9.298 29.250 868 H SER 113 H SER 113 -4.015 -10.864 22.782 869 HA SER 113 HA SER 113 -4.499 -8.160 21.965 870 HB2 SER 113 HB2 SER 113 -1.910 -9.730 21.997 871 HB3 SER 113 HB1 SER 113 -2.065 -7.977 21.894 872 HG SER 113 HG SER 113 -3.352 -9.179 24.033 873 H HIS 114 H HIS 114 -4.061 -7.231 19.962 874 HA HIS 114 HA HIS 114 -4.036 -7.070 17.709 875 HB2 HIS 114 HB2 HIS 114 -2.259 -9.481 18.052 876 HB3 HIS 114 HB1 HIS 114 -2.585 -8.772 16.474 877 HD1 HIS 114 HD1 HIS 114 -1.065 -6.936 15.772 878 HD2 HIS 114 HD2 HIS 114 -0.984 -7.534 19.886 879 HE1 HIS 114 HE1 HIS 114 0.748 -5.427 16.640 880 HE2 HIS 114 HE2 HIS 114 0.867 -5.898 19.108 881 H HIS 115 H HIS 115 -6.358 -7.972 18.546 882 HA HIS 115 HA HIS 115 -7.065 -10.114 16.658 883 HB2 HIS 115 HB2 HIS 115 -8.270 -9.214 19.234 884 HB3 HIS 115 HB1 HIS 115 -9.348 -9.854 17.999 885 HD1 HIS 115 HD1 HIS 115 -8.986 -11.345 20.650 886 HD2 HIS 115 HD2 HIS 115 -6.779 -12.129 17.215 887 HE1 HIS 115 HE1 HIS 115 -8.181 -13.715 20.889 888 HE2 HIS 115 HE2 HIS 115 -6.789 -14.143 18.832 889 H HIS 116 H HIS 116 -6.567 -7.143 16.301 890 HA HIS 116 HA HIS 116 -8.973 -5.871 15.591 891 HB2 HIS 116 HB2 HIS 116 -6.863 -4.646 15.883 892 HB3 HIS 116 HB1 HIS 116 -6.178 -5.470 14.489 893 HD1 HIS 116 HD1 HIS 116 -6.520 -4.388 12.260 894 HD2 HIS 116 HD2 HIS 116 -9.047 -2.841 15.177 895 HE1 HIS 116 HE1 HIS 116 -7.666 -2.428 11.190 896 HE2 HIS 116 HE2 HIS 116 -9.085 -1.425 13.012 897 H HIS 117 H HIS 117 -6.807 -8.008 13.882 898 HA HIS 117 HA HIS 117 -8.306 -7.828 11.412 899 HB2 HIS 117 HB2 HIS 117 -5.845 -8.072 11.401 900 HB3 HIS 117 HB1 HIS 117 -6.006 -9.633 12.193 901 HD1 HIS 117 HD1 HIS 117 -6.204 -7.970 8.890 902 HD2 HIS 117 HD2 HIS 117 -7.016 -11.703 10.529 903 HE1 HIS 117 HE1 HIS 117 -6.451 -9.529 6.936 904 HE2 HIS 117 HE2 HIS 117 -6.697 -11.815 7.971 905 H HIS 118 H HIS 118 -10.283 -8.673 11.644 906 HA HIS 118 HA HIS 118 -11.932 -10.214 11.735 907 HB2 HIS 118 HB2 HIS 118 -10.320 -11.584 10.386 908 HB3 HIS 118 HB1 HIS 118 -9.756 -12.308 11.887 909 HD1 HIS 118 HD1 HIS 118 -12.124 -12.823 9.231 910 HD2 HIS 118 HD2 HIS 118 -12.012 -13.685 13.294 911 HE1 HIS 118 HE1 HIS 118 -13.836 -14.623 9.588 912 HE2 HIS 118 HE2 HIS 118 -13.843 -15.036 12.070 913 H HIS 119 H HIS 119 -12.715 -9.549 13.685 914 HA HIS 119 HA HIS 119 -11.694 -10.531 16.181 915 HB2 HIS 119 HB2 HIS 119 -14.237 -9.050 15.479 916 HB3 HIS 119 HB1 HIS 119 -13.783 -9.483 17.121 917 HD1 HIS 119 HD1 HIS 119 -12.835 -7.182 14.310 918 HD2 HIS 119 HD2 HIS 119 -11.851 -7.858 18.289 919 HE1 HIS 119 HE1 HIS 119 -11.457 -5.204 15.008 920 HE2 HIS 119 HE2 HIS 119 -11.044 -5.539 17.468 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 6.971 13.771 21.860 2 H2 GLY 1 HT2 GLY 1 7.106 14.494 20.339 3 H3 GLY 1 HT3 GLY 1 8.212 13.305 20.811 4 HA2 GLY 1 HA1 GLY 1 6.452 11.649 20.862 5 HA3 GLY 1 HA2 GLY 1 5.314 12.883 20.347 6 H SER 2 H SER 2 4.956 11.291 18.578 7 HA SER 2 HA SER 2 7.047 10.958 16.629 8 HB2 SER 2 HB2 SER 2 4.089 10.342 16.430 9 HB3 SER 2 HB1 SER 2 5.347 9.759 15.341 10 HG SER 2 HG SER 2 6.267 8.982 17.539 11 H GLN 3 H GLN 3 7.635 12.532 15.291 12 HA GLN 3 HA GLN 3 5.928 14.813 14.844 13 HB2 GLN 3 HB2 GLN 3 8.680 14.157 13.779 14 HB3 GLN 3 HB1 GLN 3 7.854 15.690 13.547 15 HG2 GLN 3 HG2 GLN 3 7.834 16.041 15.970 16 HG3 GLN 3 HG1 GLN 3 8.685 14.514 16.189 17 HE21 GLN 3 HE21 GLN 3 10.847 14.362 15.587 18 HE22 GLN 3 HE22 GLN 3 11.822 15.764 15.315 19 H THR 4 H THR 4 4.327 13.260 13.833 20 HA THR 4 HA THR 4 3.121 12.623 12.024 21 HB THR 4 HB THR 4 4.913 14.461 10.423 22 HG1 THR 4 HG1 THR 4 3.474 15.089 12.529 23 HG21 THR 4 HG21 THR 4 2.918 14.766 9.036 24 HG22 THR 4 HG22 THR 4 2.023 13.649 10.064 25 HG23 THR 4 HG23 THR 4 3.379 13.065 9.101 26 H THR 5 H THR 5 4.126 10.518 12.326 27 HA THR 5 HA THR 5 6.412 9.663 10.933 28 HB THR 5 HB THR 5 4.055 7.958 11.756 29 HG1 THR 5 HG1 THR 5 4.918 7.947 13.783 30 HG21 THR 5 HG21 THR 5 5.740 6.200 11.995 31 HG22 THR 5 HG22 THR 5 6.996 7.319 11.466 32 HG23 THR 5 HG23 THR 5 5.724 6.829 10.347 33 H ALA 6 H ALA 6 2.981 9.612 10.108 34 HA ALA 6 HA ALA 6 3.683 8.811 7.360 35 HB1 ALA 6 HB1 ALA 6 2.132 7.283 8.463 36 HB2 ALA 6 HB2 ALA 6 1.333 8.125 7.135 37 HB3 ALA 6 HB3 ALA 6 1.037 8.621 8.801 38 HA PRO 7 HA PRO 7 2.872 13.274 6.940 39 HB2 PRO 7 HB2 PRO 7 4.005 12.788 4.259 40 HB3 PRO 7 HB1 PRO 7 4.510 13.939 5.499 41 HG2 PRO 7 HG2 PRO 7 5.968 11.763 4.937 42 HG3 PRO 7 HG1 PRO 7 5.830 12.390 6.590 43 HD2 PRO 7 HD2 PRO 7 4.433 10.063 5.323 44 HD3 PRO 7 HD1 PRO 7 5.129 10.210 6.952 45 H ASP 8 H ASP 8 2.705 11.650 3.779 46 HA ASP 8 HA ASP 8 -0.130 12.458 3.655 47 HB2 ASP 8 HB2 ASP 8 1.887 12.246 1.414 48 HB3 ASP 8 HB1 ASP 8 0.166 12.531 1.175 49 H ALA 9 H ALA 9 1.673 9.917 4.237 50 HA ALA 9 HA ALA 9 0.696 7.939 2.445 51 HB1 ALA 9 HB1 ALA 9 1.714 6.346 3.937 52 HB2 ALA 9 HB2 ALA 9 1.835 7.561 5.209 53 HB3 ALA 9 HB3 ALA 9 2.795 7.726 3.740 54 HA PRO 10 HA PRO 10 -3.420 7.299 4.105 55 HB2 PRO 10 HB2 PRO 10 -2.894 4.558 3.062 56 HB3 PRO 10 HB1 PRO 10 -4.276 5.620 2.774 57 HG2 PRO 10 HG2 PRO 10 -2.434 5.266 0.889 58 HG3 PRO 10 HG1 PRO 10 -3.151 6.865 1.166 59 HD2 PRO 10 HD2 PRO 10 -0.469 5.836 1.964 60 HD3 PRO 10 HD1 PRO 10 -0.927 7.433 1.404 61 HA PRO 11 HA PRO 11 -2.007 6.050 8.127 62 HB2 PRO 11 HB2 PRO 11 -4.622 5.224 8.918 63 HB3 PRO 11 HB1 PRO 11 -3.796 6.735 9.300 64 HG2 PRO 11 HG2 PRO 11 -5.796 6.157 7.201 65 HG3 PRO 11 HG1 PRO 11 -5.424 7.686 8.014 66 HD2 PRO 11 HD2 PRO 11 -4.722 7.228 5.467 67 HD3 PRO 11 HD1 PRO 11 -3.692 8.180 6.557 68 H ASP 12 H ASP 12 -4.675 3.839 7.183 69 HA ASP 12 HA ASP 12 -2.826 1.598 7.325 70 HB2 ASP 12 HB2 ASP 12 -3.489 1.824 9.637 71 HB3 ASP 12 HB1 ASP 12 -5.189 1.871 9.183 72 HA PRO 13 HA PRO 13 -5.830 0.168 4.282 73 HB2 PRO 13 HB2 PRO 13 -3.966 -1.956 3.700 74 HB3 PRO 13 HB1 PRO 13 -4.390 -0.568 2.697 75 HG2 PRO 13 HG2 PRO 13 -1.929 -0.918 3.837 76 HG3 PRO 13 HG1 PRO 13 -2.610 0.667 3.428 77 HD2 PRO 13 HD2 PRO 13 -2.505 -0.724 6.083 78 HD3 PRO 13 HD1 PRO 13 -2.218 0.984 5.691 79 H THR 14 H THR 14 -7.459 -1.158 4.727 80 HA THR 14 HA THR 14 -7.078 -3.200 6.799 81 HB THR 14 HB THR 14 -9.705 -2.204 5.700 82 HG1 THR 14 HG1 THR 14 -7.883 -0.904 7.277 83 HG21 THR 14 HG21 THR 14 -10.567 -2.956 7.864 84 HG22 THR 14 HG22 THR 14 -8.949 -3.470 8.337 85 HG23 THR 14 HG23 THR 14 -9.777 -4.279 7.005 86 H VAL 15 H VAL 15 -7.490 -5.335 6.427 87 HA VAL 15 HA VAL 15 -8.178 -6.082 3.667 88 HB VAL 15 HB VAL 15 -6.676 -7.637 5.780 89 HG11 VAL 15 HG11 VAL 15 -6.392 -9.354 4.015 90 HG12 VAL 15 HG12 VAL 15 -7.555 -8.474 3.023 91 HG13 VAL 15 HG13 VAL 15 -8.059 -9.177 4.558 92 HG21 VAL 15 HG21 VAL 15 -5.359 -5.900 4.671 93 HG22 VAL 15 HG22 VAL 15 -5.805 -6.562 3.098 94 HG23 VAL 15 HG23 VAL 15 -4.811 -7.510 4.204 95 H ASP 16 H ASP 16 -10.245 -6.583 3.458 96 HA ASP 16 HA ASP 16 -11.543 -8.115 5.620 97 HB2 ASP 16 HB2 ASP 16 -12.681 -6.057 3.734 98 HB3 ASP 16 HB1 ASP 16 -13.707 -7.201 4.591 99 H GLN 17 H GLN 17 -13.082 -9.693 4.982 100 HA GLN 17 HA GLN 17 -13.864 -11.454 3.795 101 HB2 GLN 17 HB2 GLN 17 -13.464 -9.603 1.450 102 HB3 GLN 17 HB1 GLN 17 -14.406 -11.068 1.424 103 HG2 GLN 17 HG2 GLN 17 -14.983 -8.641 3.098 104 HG3 GLN 17 HG1 GLN 17 -15.818 -9.100 1.615 105 HE21 GLN 17 HE21 GLN 17 -15.412 -9.735 4.994 106 HE22 GLN 17 HE22 GLN 17 -16.739 -10.833 5.158 107 H VAL 18 H VAL 18 -12.135 -12.835 4.240 108 HA VAL 18 HA VAL 18 -9.820 -12.906 2.548 109 HB VAL 18 HB VAL 18 -9.691 -13.603 4.907 110 HG11 VAL 18 HG11 VAL 18 -10.594 -15.768 5.616 111 HG12 VAL 18 HG12 VAL 18 -11.389 -15.941 4.051 112 HG13 VAL 18 HG13 VAL 18 -11.870 -14.643 5.144 113 HG21 VAL 18 HG21 VAL 18 -8.019 -14.436 3.352 114 HG22 VAL 18 HG22 VAL 18 -9.043 -15.819 2.968 115 HG23 VAL 18 HG23 VAL 18 -8.373 -15.642 4.589 116 H ASP 19 H ASP 19 -12.953 -14.307 2.546 117 HA ASP 19 HA ASP 19 -14.061 -15.736 1.169 118 HB2 ASP 19 HB2 ASP 19 -13.307 -13.851 -0.383 119 HB3 ASP 19 HB1 ASP 19 -12.027 -14.931 -0.920 120 H ASP 20 H ASP 20 -12.643 -17.089 -1.165 121 HA ASP 20 HA ASP 20 -11.646 -19.365 0.314 122 HB2 ASP 20 HB2 ASP 20 -12.986 -19.856 -1.612 123 HB3 ASP 20 HB1 ASP 20 -11.996 -18.823 -2.638 124 H THR 21 H THR 21 -10.343 -17.198 -2.189 125 HA THR 21 HA THR 21 -7.715 -17.330 -0.961 126 HB THR 21 HB THR 21 -6.789 -17.770 -3.385 127 HG1 THR 21 HG1 THR 21 -9.262 -19.210 -3.456 128 HG21 THR 21 HG21 THR 21 -6.296 -19.205 -1.486 129 HG22 THR 21 HG22 THR 21 -6.673 -20.189 -2.900 130 HG23 THR 21 HG23 THR 21 -7.877 -19.975 -1.629 131 H SER 22 H SER 22 -9.638 -15.200 -1.312 132 HA SER 22 HA SER 22 -7.936 -13.314 -2.714 133 HB2 SER 22 HB2 SER 22 -9.887 -12.395 -4.017 134 HB3 SER 22 HB1 SER 22 -9.341 -13.987 -4.544 135 HG SER 22 HG SER 22 -11.573 -13.403 -2.886 136 H ILE 23 H ILE 23 -8.045 -11.275 -1.870 137 HA ILE 23 HA ILE 23 -9.901 -10.950 0.404 138 HB ILE 23 HB ILE 23 -8.239 -9.637 1.543 139 HG12 ILE 23 HG12 ILE 23 -6.273 -10.166 -0.674 140 HG13 ILE 23 HG11 ILE 23 -7.313 -8.749 -0.709 141 HG21 ILE 23 HG21 ILE 23 -6.457 -11.322 1.863 142 HG22 ILE 23 HG22 ILE 23 -7.066 -12.190 0.453 143 HG23 ILE 23 HG23 ILE 23 -8.077 -12.019 1.887 144 HD11 ILE 23 HD11 ILE 23 -5.180 -9.433 1.289 145 HD12 ILE 23 HD12 ILE 23 -6.368 -8.157 1.547 146 HD13 ILE 23 HD13 ILE 23 -5.253 -8.054 0.188 147 H VAL 24 H VAL 24 -10.537 -8.775 0.920 148 HA VAL 24 HA VAL 24 -10.331 -6.892 -1.336 149 HB VAL 24 HB VAL 24 -12.276 -6.808 0.983 150 HG11 VAL 24 HG11 VAL 24 -13.450 -5.138 -0.360 151 HG12 VAL 24 HG12 VAL 24 -12.198 -5.248 -1.596 152 HG13 VAL 24 HG13 VAL 24 -11.802 -4.624 0.004 153 HG21 VAL 24 HG21 VAL 24 -12.728 -7.731 -1.852 154 HG22 VAL 24 HG22 VAL 24 -13.975 -7.547 -0.618 155 HG23 VAL 24 HG23 VAL 24 -12.706 -8.756 -0.418 156 H VAL 25 H VAL 25 -8.579 -5.667 -1.004 157 HA VAL 25 HA VAL 25 -7.954 -4.797 1.723 158 HB VAL 25 HB VAL 25 -6.051 -5.794 0.713 159 HG11 VAL 25 HG11 VAL 25 -6.697 -5.784 -1.591 160 HG12 VAL 25 HG12 VAL 25 -5.106 -5.042 -1.433 161 HG13 VAL 25 HG13 VAL 25 -6.532 -4.030 -1.676 162 HG21 VAL 25 HG21 VAL 25 -5.520 -3.793 1.962 163 HG22 VAL 25 HG22 VAL 25 -5.750 -2.803 0.520 164 HG23 VAL 25 HG23 VAL 25 -4.424 -3.966 0.589 165 H ARG 26 H ARG 26 -8.592 -2.894 2.350 166 HA ARG 26 HA ARG 26 -9.141 -0.821 0.319 167 HB2 ARG 26 HB2 ARG 26 -10.572 -1.253 2.949 168 HB3 ARG 26 HB1 ARG 26 -10.963 -0.041 1.739 169 HG2 ARG 26 HG2 ARG 26 -11.631 -1.757 0.175 170 HG3 ARG 26 HG1 ARG 26 -11.140 -3.016 1.313 171 HD2 ARG 26 HD2 ARG 26 -13.546 -2.706 1.391 172 HD3 ARG 26 HD1 ARG 26 -12.815 -2.203 2.914 173 HE ARG 26 HE ARG 26 -13.304 -0.138 0.920 174 HH11 ARG 26 HH11 ARG 26 -14.305 -1.679 3.900 175 HH12 ARG 26 HH12 ARG 26 -15.316 -0.354 4.383 176 HH21 ARG 26 HH21 ARG 26 -14.622 1.597 1.559 177 HH22 ARG 26 HH22 ARG 26 -15.495 1.505 3.056 178 H TRP 27 H TRP 27 -8.011 1.014 0.559 179 HA TRP 27 HA TRP 27 -6.632 1.418 3.114 180 HB2 TRP 27 HB2 TRP 27 -5.115 2.936 1.701 181 HB3 TRP 27 HB1 TRP 27 -4.964 1.197 1.489 182 HD1 TRP 27 HD1 TRP 27 -6.149 4.347 -0.336 183 HE1 TRP 27 HE1 TRP 27 -6.427 3.788 -2.835 184 HE3 TRP 27 HE3 TRP 27 -5.447 -0.713 -0.126 185 HZ2 TRP 27 HZ2 TRP 27 -6.343 1.512 -4.494 186 HZ3 TRP 27 HZ3 TRP 27 -5.559 -2.005 -2.215 187 HH2 TRP 27 HH2 TRP 27 -5.997 -0.913 -4.353 188 H SER 28 H SER 28 -7.072 3.105 4.322 189 HA SER 28 HA SER 28 -8.999 5.062 3.382 190 HB2 SER 28 HB2 SER 28 -7.728 4.736 6.112 191 HB3 SER 28 HB1 SER 28 -9.129 5.734 5.724 192 HG SER 28 HG SER 28 -9.344 3.408 6.601 193 H ARG 29 H ARG 29 -8.457 7.067 2.726 194 HA ARG 29 HA ARG 29 -5.719 7.778 2.567 195 HB2 ARG 29 HB2 ARG 29 -6.642 9.962 1.616 196 HB3 ARG 29 HB1 ARG 29 -6.940 8.479 0.728 197 HG2 ARG 29 HG2 ARG 29 -8.877 9.984 0.789 198 HG3 ARG 29 HG1 ARG 29 -9.209 8.406 1.497 199 HD2 ARG 29 HD2 ARG 29 -10.191 10.101 2.881 200 HD3 ARG 29 HD1 ARG 29 -8.820 9.370 3.721 201 HE ARG 29 HE ARG 29 -7.558 11.353 3.327 202 HH11 ARG 29 HH11 ARG 29 -10.920 11.650 2.376 203 HH12 ARG 29 HH12 ARG 29 -10.932 13.375 2.539 204 HH21 ARG 29 HH21 ARG 29 -7.584 13.599 3.555 205 HH22 ARG 29 HH22 ARG 29 -9.043 14.488 3.210 206 HA PRO 30 HA PRO 30 -5.069 10.270 6.150 207 HB2 PRO 30 HB2 PRO 30 -3.717 12.306 4.524 208 HB3 PRO 30 HB1 PRO 30 -3.055 11.254 5.776 209 HG2 PRO 30 HG2 PRO 30 -2.460 10.920 3.176 210 HG3 PRO 30 HG1 PRO 30 -2.605 9.551 4.294 211 HD2 PRO 30 HD2 PRO 30 -4.570 10.563 2.278 212 HD3 PRO 30 HD1 PRO 30 -4.128 8.898 2.676 213 H1 MET 31 HT1 MET 31 -12.531 30.118 -16.374 214 H2 MET 31 HT2 MET 31 -12.370 29.858 -18.035 215 H3 MET 31 HT3 MET 31 -11.084 29.503 -16.995 216 HA MET 31 HA MET 31 -13.702 28.133 -17.075 217 HB2 MET 31 HB2 MET 31 -10.929 27.138 -17.768 218 HB3 MET 31 HB1 MET 31 -12.400 26.181 -17.800 219 HG2 MET 31 HG2 MET 31 -13.280 27.541 -19.599 220 HG3 MET 31 HG1 MET 31 -11.853 28.575 -19.539 221 HE1 MET 31 HE1 MET 31 -11.770 24.139 -20.806 222 HE2 MET 31 HE2 MET 31 -13.226 24.992 -20.296 223 HE3 MET 31 HE3 MET 31 -11.948 24.651 -19.130 224 H ARG 32 H ARG 32 -14.172 28.141 -14.909 225 HA ARG 32 HA ARG 32 -12.303 27.878 -12.839 226 HB2 ARG 32 HB2 ARG 32 -14.178 27.467 -11.368 227 HB3 ARG 32 HB1 ARG 32 -14.613 28.717 -12.525 228 HG2 ARG 32 HG2 ARG 32 -15.881 27.098 -13.821 229 HG3 ARG 32 HG1 ARG 32 -15.412 25.819 -12.702 230 HD2 ARG 32 HD2 ARG 32 -16.509 27.136 -10.877 231 HD3 ARG 32 HD1 ARG 32 -17.121 28.228 -12.117 232 HE ARG 32 HE ARG 32 -17.782 25.529 -12.708 233 HH11 ARG 32 HH11 ARG 32 -18.692 28.244 -10.699 234 HH12 ARG 32 HH12 ARG 32 -20.324 27.698 -10.476 235 HH21 ARG 32 HH21 ARG 32 -19.937 24.802 -12.416 236 HH22 ARG 32 HH22 ARG 32 -21.032 25.748 -11.455 237 H GLY 33 H GLY 33 -11.214 26.206 -12.052 238 HA2 GLY 33 HA2 GLY 33 -10.980 23.965 -11.330 239 HA3 GLY 33 HA1 GLY 33 -12.262 23.497 -12.436 240 H SER 34 H SER 34 -10.605 25.365 -14.390 241 HA SER 34 HA SER 34 -9.232 23.183 -15.641 242 HB2 SER 34 HB2 SER 34 -10.349 25.069 -16.889 243 HB3 SER 34 HB1 SER 34 -9.050 26.123 -16.337 244 HG SER 34 HG SER 34 -7.575 24.775 -17.440 245 H ASN 35 H ASN 35 -8.426 25.756 -13.484 246 HA ASN 35 HA ASN 35 -5.666 24.743 -13.395 247 HB2 ASN 35 HB2 ASN 35 -5.953 27.095 -14.424 248 HB3 ASN 35 HB1 ASN 35 -6.366 27.616 -12.793 249 HD21 ASN 35 HD21 ASN 35 -4.138 28.392 -14.463 250 HD22 ASN 35 HD22 ASN 35 -2.698 27.995 -13.590 251 H ALA 36 H ALA 36 -6.878 23.364 -11.811 252 HA ALA 36 HA ALA 36 -7.051 24.720 -9.202 253 HB1 ALA 36 HB1 ALA 36 -8.784 22.459 -10.193 254 HB2 ALA 36 HB2 ALA 36 -9.280 24.139 -9.993 255 HB3 ALA 36 HB3 ALA 36 -8.846 23.176 -8.583 256 HA PRO 37 HA PRO 37 -3.680 21.618 -8.764 257 HB2 PRO 37 HB2 PRO 37 -3.209 23.389 -6.429 258 HB3 PRO 37 HB1 PRO 37 -2.066 22.796 -7.638 259 HG2 PRO 37 HG2 PRO 37 -2.888 25.330 -7.665 260 HG3 PRO 37 HG1 PRO 37 -2.646 24.433 -9.177 261 HD2 PRO 37 HD2 PRO 37 -5.193 25.096 -7.755 262 HD3 PRO 37 HD1 PRO 37 -4.839 25.100 -9.495 263 H GLN 38 H GLN 38 -3.881 19.801 -7.610 264 HA GLN 38 HA GLN 38 -5.814 19.784 -5.402 265 HB2 GLN 38 HB2 GLN 38 -4.682 17.479 -6.992 266 HB3 GLN 38 HB1 GLN 38 -5.930 17.364 -5.760 267 HG2 GLN 38 HG2 GLN 38 -7.413 18.724 -7.142 268 HG3 GLN 38 HG1 GLN 38 -6.158 18.829 -8.378 269 HE21 GLN 38 HE21 GLN 38 -8.460 16.776 -6.797 270 HE22 GLN 38 HE22 GLN 38 -8.412 15.489 -7.949 271 HA PRO 39 HA PRO 39 -2.133 19.488 -2.825 272 HB2 PRO 39 HB2 PRO 39 -3.481 19.561 -0.454 273 HB3 PRO 39 HB1 PRO 39 -3.081 21.004 -1.392 274 HG2 PRO 39 HG2 PRO 39 -5.658 19.497 -1.240 275 HG3 PRO 39 HG1 PRO 39 -5.382 21.248 -1.279 276 HD2 PRO 39 HD2 PRO 39 -6.160 19.845 -3.457 277 HD3 PRO 39 HD1 PRO 39 -5.126 21.284 -3.568 278 H SER 40 H SER 40 -1.170 17.610 -2.557 279 HA SER 40 HA SER 40 -0.735 15.439 -2.073 280 HB2 SER 40 HB2 SER 40 -1.455 16.199 0.202 281 HB3 SER 40 HB1 SER 40 -3.084 15.637 -0.172 282 HG SER 40 HG SER 40 -0.802 13.957 -0.329 283 H HIS 41 H HIS 41 -2.122 15.783 -4.366 284 HA HIS 41 HA HIS 41 -4.320 13.901 -4.445 285 HB2 HIS 41 HB2 HIS 41 -4.516 15.804 -5.892 286 HB3 HIS 41 HB1 HIS 41 -2.924 15.518 -6.582 287 HD1 HIS 41 HD1 HIS 41 -6.364 13.890 -6.501 288 HD2 HIS 41 HD2 HIS 41 -2.944 14.039 -8.862 289 HE1 HIS 41 HE1 HIS 41 -6.925 12.610 -8.589 290 HE2 HIS 41 HE2 HIS 41 -4.884 12.811 -10.051 291 H ILE 42 H ILE 42 -4.160 11.804 -4.894 292 HA ILE 42 HA ILE 42 -1.553 10.717 -5.630 293 HB ILE 42 HB ILE 42 -4.087 9.401 -4.648 294 HG12 ILE 42 HG12 ILE 42 -2.458 8.574 -2.862 295 HG13 ILE 42 HG11 ILE 42 -1.314 9.746 -3.503 296 HG21 ILE 42 HG21 ILE 42 -1.552 8.048 -5.555 297 HG22 ILE 42 HG22 ILE 42 -3.122 7.966 -6.352 298 HG23 ILE 42 HG23 ILE 42 -2.909 7.258 -4.750 299 HD11 ILE 42 HD11 ILE 42 -2.885 11.545 -2.978 300 HD12 ILE 42 HD12 ILE 42 -2.437 10.612 -1.550 301 HD13 ILE 42 HD13 ILE 42 -4.008 10.359 -2.312 302 H SER 43 H SER 43 -1.099 9.914 -7.587 303 HA SER 43 HA SER 43 -3.134 10.211 -9.651 304 HB2 SER 43 HB2 SER 43 -0.874 11.202 -9.967 305 HB3 SER 43 HB1 SER 43 -0.184 9.580 -9.927 306 HG SER 43 HG SER 43 -1.194 10.880 -12.004 307 H LYS 44 H LYS 44 -1.255 7.731 -8.042 308 HA LYS 44 HA LYS 44 -3.098 5.731 -8.899 309 HB2 LYS 44 HB2 LYS 44 -1.481 4.256 -10.024 310 HB3 LYS 44 HB1 LYS 44 -1.728 5.754 -10.905 311 HG2 LYS 44 HG2 LYS 44 0.383 6.620 -10.084 312 HG3 LYS 44 HG1 LYS 44 0.621 5.165 -9.109 313 HD2 LYS 44 HD2 LYS 44 0.669 3.805 -11.134 314 HD3 LYS 44 HD1 LYS 44 0.399 5.243 -12.119 315 HE2 LYS 44 HE2 LYS 44 2.757 4.921 -10.278 316 HE3 LYS 44 HE1 LYS 44 2.785 4.436 -11.970 317 HZ1 LYS 44 HZ1 LYS 44 3.706 6.666 -11.594 318 HZ2 LYS 44 HZ2 LYS 44 2.203 7.187 -11.020 319 HZ3 LYS 44 HZ3 LYS 44 2.365 6.692 -12.626 320 H TYR 45 H TYR 45 -3.053 3.930 -7.635 321 HA TYR 45 HA TYR 45 -1.136 3.930 -5.401 322 HB2 TYR 45 HB2 TYR 45 -3.737 2.402 -5.684 323 HB3 TYR 45 HB1 TYR 45 -2.718 2.459 -4.257 324 HD1 TYR 45 HD1 TYR 45 -5.390 4.021 -6.073 325 HD2 TYR 45 HD2 TYR 45 -2.521 4.640 -2.994 326 HE1 TYR 45 HE1 TYR 45 -6.732 5.888 -5.208 327 HE2 TYR 45 HE2 TYR 45 -3.855 6.514 -2.121 328 HH TYR 45 HH TYR 45 -7.030 7.036 -2.950 329 H ILE 46 H ILE 46 0.352 2.320 -5.288 330 HA ILE 46 HA ILE 46 -0.020 0.052 -7.127 331 HB ILE 46 HB ILE 46 2.534 1.216 -6.004 332 HG12 ILE 46 HG12 ILE 46 3.103 1.250 -8.499 333 HG13 ILE 46 HG11 ILE 46 1.399 0.927 -8.788 334 HG21 ILE 46 HG21 ILE 46 2.659 -1.217 -5.905 335 HG22 ILE 46 HG22 ILE 46 3.739 -0.575 -7.141 336 HG23 ILE 46 HG23 ILE 46 2.207 -1.317 -7.606 337 HD11 ILE 46 HD11 ILE 46 1.882 3.281 -9.019 338 HD12 ILE 46 HD12 ILE 46 2.541 3.327 -7.384 339 HD13 ILE 46 HD13 ILE 46 0.824 3.007 -7.634 340 H LEU 47 H LEU 47 -0.637 -1.749 -6.226 341 HA LEU 47 HA LEU 47 -0.175 -2.192 -3.366 342 HB2 LEU 47 HB2 LEU 47 -2.440 -2.488 -4.708 343 HB3 LEU 47 HB1 LEU 47 -1.749 -4.040 -5.124 344 HG LEU 47 HG LEU 47 -3.265 -4.295 -3.265 345 HD11 LEU 47 HD11 LEU 47 -0.400 -4.557 -2.390 346 HD12 LEU 47 HD12 LEU 47 -1.377 -5.769 -3.219 347 HD13 LEU 47 HD13 LEU 47 -1.783 -5.286 -1.574 348 HD21 LEU 47 HD21 LEU 47 -2.909 -3.205 -1.122 349 HD22 LEU 47 HD22 LEU 47 -3.189 -2.023 -2.402 350 HD23 LEU 47 HD23 LEU 47 -1.556 -2.298 -1.798 351 H ARG 48 H ARG 48 1.675 -3.203 -2.912 352 HA ARG 48 HA ARG 48 2.573 -5.355 -4.721 353 HB2 ARG 48 HB2 ARG 48 4.151 -3.551 -2.886 354 HB3 ARG 48 HB1 ARG 48 4.825 -5.001 -3.607 355 HG2 ARG 48 HG2 ARG 48 4.546 -4.090 -5.798 356 HG3 ARG 48 HG1 ARG 48 3.685 -2.694 -5.150 357 HD2 ARG 48 HD2 ARG 48 5.678 -2.019 -3.928 358 HD3 ARG 48 HD1 ARG 48 6.543 -3.427 -4.541 359 HE ARG 48 HE ARG 48 5.931 -2.347 -6.815 360 HH11 ARG 48 HH11 ARG 48 6.904 -0.678 -3.893 361 HH12 ARG 48 HH12 ARG 48 7.577 0.680 -4.740 362 HH21 ARG 48 HH21 ARG 48 6.842 -0.564 -7.935 363 HH22 ARG 48 HH22 ARG 48 7.552 0.738 -7.032 364 H TRP 49 H TRP 49 2.677 -7.378 -3.924 365 HA TRP 49 HA TRP 49 2.831 -7.701 -1.029 366 HB2 TRP 49 HB2 TRP 49 1.067 -9.368 -0.963 367 HB3 TRP 49 HB1 TRP 49 0.439 -7.847 -1.579 368 HD1 TRP 49 HD1 TRP 49 0.755 -11.483 -2.425 369 HE1 TRP 49 HE1 TRP 49 -0.343 -11.945 -4.709 370 HE3 TRP 49 HE3 TRP 49 0.116 -6.665 -4.010 371 HZ2 TRP 49 HZ2 TRP 49 -1.338 -10.460 -6.889 372 HZ3 TRP 49 HZ3 TRP 49 -0.921 -6.273 -6.205 373 HH2 TRP 49 HH2 TRP 49 -1.631 -8.133 -7.617 374 H ARG 50 H ARG 50 3.923 -9.436 -0.329 375 HA ARG 50 HA ARG 50 4.832 -11.443 -2.261 376 HB2 ARG 50 HB2 ARG 50 6.588 -9.677 -2.108 377 HB3 ARG 50 HB1 ARG 50 6.685 -9.965 -0.376 378 HG2 ARG 50 HG2 ARG 50 7.306 -12.336 -0.895 379 HG3 ARG 50 HG1 ARG 50 7.417 -11.861 -2.591 380 HD2 ARG 50 HD2 ARG 50 9.613 -11.790 -1.645 381 HD3 ARG 50 HD1 ARG 50 9.080 -10.134 -1.933 382 HE ARG 50 HE ARG 50 8.524 -11.052 0.729 383 HH11 ARG 50 HH11 ARG 50 10.997 -9.718 -1.342 384 HH12 ARG 50 HH12 ARG 50 11.862 -8.959 -0.044 385 HH21 ARG 50 HH21 ARG 50 9.662 -10.062 2.454 386 HH22 ARG 50 HH22 ARG 50 11.090 -9.141 2.114 387 HA PRO 51 HA PRO 51 3.710 -14.214 1.082 388 HB2 PRO 51 HB2 PRO 51 5.878 -15.816 -0.199 389 HB3 PRO 51 HB1 PRO 51 4.249 -16.307 0.276 390 HG2 PRO 51 HG2 PRO 51 4.826 -15.855 -2.277 391 HG3 PRO 51 HG1 PRO 51 3.270 -15.349 -1.595 392 HD2 PRO 51 HD2 PRO 51 5.659 -13.705 -2.294 393 HD3 PRO 51 HD1 PRO 51 3.935 -13.298 -2.400 394 H LYS 52 H LYS 52 4.407 -13.707 3.028 395 HA LYS 52 HA LYS 52 7.160 -13.122 3.648 396 HB2 LYS 52 HB2 LYS 52 5.261 -11.947 4.701 397 HB3 LYS 52 HB1 LYS 52 4.732 -13.452 5.420 398 HG2 LYS 52 HG2 LYS 52 5.845 -12.144 7.078 399 HG3 LYS 52 HG1 LYS 52 6.840 -13.546 6.693 400 HD2 LYS 52 HD2 LYS 52 8.383 -12.264 5.487 401 HD3 LYS 52 HD1 LYS 52 7.280 -10.895 5.364 402 HE2 LYS 52 HE2 LYS 52 8.537 -11.911 7.903 403 HE3 LYS 52 HE1 LYS 52 9.063 -10.492 6.999 404 HZ1 LYS 52 HZ1 LYS 52 7.672 -9.833 8.831 405 HZ2 LYS 52 HZ2 LYS 52 6.431 -10.861 8.329 406 HZ3 LYS 52 HZ3 LYS 52 6.846 -9.518 7.385 407 H ASN 53 H ASN 53 4.892 -15.720 4.031 408 HA ASN 53 HA ASN 53 6.327 -17.320 5.863 409 HB2 ASN 53 HB2 ASN 53 3.902 -17.560 5.308 410 HB3 ASN 53 HB1 ASN 53 4.364 -18.224 3.747 411 HD21 ASN 53 HD21 ASN 53 5.126 -20.310 3.623 412 HD22 ASN 53 HD22 ASN 53 5.074 -21.407 4.959 413 H SER 54 H SER 54 6.652 -16.780 2.490 414 HA SER 54 HA SER 54 8.720 -18.871 2.329 415 HB2 SER 54 HB2 SER 54 7.060 -17.821 0.023 416 HB3 SER 54 HB1 SER 54 8.155 -19.200 0.010 417 HG SER 54 HG SER 54 6.692 -20.085 1.687 418 H VAL 55 H VAL 55 10.059 -18.126 0.063 419 HA VAL 55 HA VAL 55 11.167 -15.577 0.721 420 HB VAL 55 HB VAL 55 12.604 -17.312 -0.228 421 HG11 VAL 55 HG11 VAL 55 11.047 -16.975 -2.785 422 HG12 VAL 55 HG12 VAL 55 10.975 -18.377 -1.721 423 HG13 VAL 55 HG13 VAL 55 12.478 -17.981 -2.553 424 HG21 VAL 55 HG21 VAL 55 12.302 -14.884 -1.966 425 HG22 VAL 55 HG22 VAL 55 13.711 -15.942 -1.945 426 HG23 VAL 55 HG23 VAL 55 13.272 -15.027 -0.503 427 H GLY 56 H GLY 56 9.245 -16.835 -2.002 428 HA2 GLY 56 HA2 GLY 56 7.429 -15.873 -3.015 429 HA3 GLY 56 HA1 GLY 56 7.559 -14.539 -1.885 430 H ARG 57 H ARG 57 6.822 -14.233 -4.507 431 HA ARG 57 HA ARG 57 9.061 -12.621 -5.537 432 HB2 ARG 57 HB2 ARG 57 6.769 -13.931 -7.015 433 HB3 ARG 57 HB1 ARG 57 7.851 -12.756 -7.744 434 HG2 ARG 57 HG2 ARG 57 8.706 -15.402 -6.595 435 HG3 ARG 57 HG1 ARG 57 8.416 -15.082 -8.307 436 HD2 ARG 57 HD2 ARG 57 10.515 -13.834 -6.540 437 HD3 ARG 57 HD1 ARG 57 10.774 -14.944 -7.885 438 HE ARG 57 HE ARG 57 9.494 -12.371 -8.438 439 HH11 ARG 57 HH11 ARG 57 12.324 -14.417 -8.672 440 HH12 ARG 57 HH12 ARG 57 13.100 -13.413 -9.857 441 HH21 ARG 57 HH21 ARG 57 10.505 -11.056 -9.988 442 HH22 ARG 57 HH22 ARG 57 12.061 -11.505 -10.611 443 H TRP 58 H TRP 58 8.636 -10.459 -5.952 444 HA TRP 58 HA TRP 58 6.417 -9.282 -4.619 445 HB2 TRP 58 HB2 TRP 58 8.516 -8.166 -6.473 446 HB3 TRP 58 HB1 TRP 58 7.222 -7.169 -5.822 447 HD1 TRP 58 HD1 TRP 58 10.664 -8.164 -5.093 448 HE1 TRP 58 HE1 TRP 58 11.297 -7.579 -2.668 449 HE3 TRP 58 HE3 TRP 58 5.989 -7.268 -3.238 450 HZ2 TRP 58 HZ2 TRP 58 9.979 -6.845 -0.281 451 HZ3 TRP 58 HZ3 TRP 58 5.760 -6.635 -0.873 452 HH2 TRP 58 HH2 TRP 58 7.716 -6.428 0.575 453 H LYS 59 H LYS 59 4.405 -9.375 -5.349 454 HA LYS 59 HA LYS 59 3.924 -9.185 -8.239 455 HB2 LYS 59 HB2 LYS 59 2.049 -9.936 -5.984 456 HB3 LYS 59 HB1 LYS 59 1.615 -9.886 -7.687 457 HG2 LYS 59 HG2 LYS 59 3.223 -11.665 -8.153 458 HG3 LYS 59 HG1 LYS 59 3.665 -11.714 -6.445 459 HD2 LYS 59 HD2 LYS 59 1.370 -12.328 -5.869 460 HD3 LYS 59 HD1 LYS 59 0.920 -12.264 -7.573 461 HE2 LYS 59 HE2 LYS 59 1.278 -14.555 -6.920 462 HE3 LYS 59 HE1 LYS 59 2.544 -14.059 -8.036 463 HZ1 LYS 59 HZ1 LYS 59 4.038 -13.761 -6.177 464 HZ2 LYS 59 HZ2 LYS 59 3.417 -15.333 -6.169 465 HZ3 LYS 59 HZ3 LYS 59 2.819 -14.184 -5.084 466 H GLU 60 H GLU 60 2.865 -7.444 -9.103 467 HA GLU 60 HA GLU 60 2.283 -5.256 -7.214 468 HB2 GLU 60 HB2 GLU 60 3.401 -4.885 -9.988 469 HB3 GLU 60 HB1 GLU 60 3.269 -3.686 -8.708 470 HG2 GLU 60 HG2 GLU 60 4.915 -4.988 -7.393 471 HG3 GLU 60 HG1 GLU 60 5.099 -6.072 -8.768 472 H ALA 61 H ALA 61 0.522 -4.000 -7.594 473 HA ALA 61 HA ALA 61 -0.973 -4.379 -10.090 474 HB1 ALA 61 HB1 ALA 61 -2.046 -5.780 -8.393 475 HB2 ALA 61 HB2 ALA 61 -3.085 -4.432 -8.857 476 HB3 ALA 61 HB3 ALA 61 -2.200 -4.381 -7.332 477 H THR 62 H THR 62 -1.609 -2.486 -10.977 478 HA THR 62 HA THR 62 -1.176 -0.062 -9.383 479 HB THR 62 HB THR 62 -1.435 -0.323 -12.387 480 HG1 THR 62 HG1 THR 62 0.519 -1.194 -11.146 481 HG21 THR 62 HG21 THR 62 -2.096 1.882 -11.565 482 HG22 THR 62 HG22 THR 62 -0.553 1.973 -12.415 483 HG23 THR 62 HG23 THR 62 -0.594 2.004 -10.652 484 H ILE 63 H ILE 63 -2.871 0.887 -8.560 485 HA ILE 63 HA ILE 63 -5.500 0.594 -9.868 486 HB ILE 63 HB ILE 63 -4.913 1.343 -6.989 487 HG12 ILE 63 HG12 ILE 63 -6.145 -0.970 -6.668 488 HG13 ILE 63 HG11 ILE 63 -5.518 -1.289 -8.280 489 HG21 ILE 63 HG21 ILE 63 -7.523 0.666 -8.331 490 HG22 ILE 63 HG22 ILE 63 -6.997 2.281 -7.858 491 HG23 ILE 63 HG23 ILE 63 -7.298 1.054 -6.626 492 HD11 ILE 63 HD11 ILE 63 -3.248 -0.896 -7.475 493 HD12 ILE 63 HD12 ILE 63 -4.049 -2.179 -6.567 494 HD13 ILE 63 HD13 ILE 63 -3.878 -0.572 -5.860 495 HA PRO 64 HA PRO 64 -5.262 4.924 -11.051 496 HB2 PRO 64 HB2 PRO 64 -8.197 4.694 -10.530 497 HB3 PRO 64 HB1 PRO 64 -7.353 5.389 -11.921 498 HG2 PRO 64 HG2 PRO 64 -8.477 2.991 -12.098 499 HG3 PRO 64 HG1 PRO 64 -6.906 3.310 -12.855 500 HD2 PRO 64 HD2 PRO 64 -7.540 1.793 -10.370 501 HD3 PRO 64 HD1 PRO 64 -6.263 1.514 -11.568 502 H GLY 65 H GLY 65 -5.347 6.921 -10.013 503 HA2 GLY 65 HA2 GLY 65 -5.180 6.731 -7.157 504 HA3 GLY 65 HA1 GLY 65 -4.896 8.163 -8.128 505 H HIS 66 H HIS 66 -7.839 6.228 -7.987 506 HA HIS 66 HA HIS 66 -9.128 8.138 -6.250 507 HB2 HIS 66 HB2 HIS 66 -11.048 8.479 -7.850 508 HB3 HIS 66 HB1 HIS 66 -9.554 9.294 -8.289 509 HD1 HIS 66 HD1 HIS 66 -8.632 8.828 -10.562 510 HD2 HIS 66 HD2 HIS 66 -11.597 6.133 -9.471 511 HE1 HIS 66 HE1 HIS 66 -9.124 7.497 -12.633 512 HE2 HIS 66 HE2 HIS 66 -11.066 6.022 -11.999 513 H LEU 67 H LEU 67 -8.403 5.191 -6.646 514 HA LEU 67 HA LEU 67 -11.024 4.174 -5.763 515 HB2 LEU 67 HB2 LEU 67 -8.879 2.538 -7.121 516 HB3 LEU 67 HB1 LEU 67 -10.476 1.996 -6.656 517 HG LEU 67 HG LEU 67 -9.829 3.964 -8.849 518 HD11 LEU 67 HD11 LEU 67 -9.294 1.655 -9.398 519 HD12 LEU 67 HD12 LEU 67 -10.675 2.234 -10.328 520 HD13 LEU 67 HD13 LEU 67 -10.926 1.165 -8.948 521 HD21 LEU 67 HD21 LEU 67 -12.493 2.891 -7.931 522 HD22 LEU 67 HD22 LEU 67 -12.219 3.884 -9.363 523 HD23 LEU 67 HD23 LEU 67 -11.927 4.551 -7.758 524 H ASN 68 H ASN 68 -11.012 3.364 -3.742 525 HA ASN 68 HA ASN 68 -8.377 2.983 -2.478 526 HB2 ASN 68 HB2 ASN 68 -10.941 4.118 -1.380 527 HB3 ASN 68 HB1 ASN 68 -9.678 3.512 -0.318 528 HD21 ASN 68 HD21 ASN 68 -9.367 5.543 0.570 529 HD22 ASN 68 HD22 ASN 68 -8.566 6.813 -0.284 530 H SER 69 H SER 69 -9.603 0.883 -3.841 531 HA SER 69 HA SER 69 -9.663 -1.095 -1.784 532 HB2 SER 69 HB2 SER 69 -11.983 -0.342 -1.590 533 HB3 SER 69 HB1 SER 69 -12.221 -0.560 -3.320 534 HG SER 69 HG SER 69 -12.831 -2.307 -1.638 535 H TYR 70 H TYR 70 -8.913 -2.971 -2.579 536 HA TYR 70 HA TYR 70 -9.237 -3.555 -5.431 537 HB2 TYR 70 HB2 TYR 70 -7.032 -2.442 -5.154 538 HB3 TYR 70 HB1 TYR 70 -6.571 -3.686 -3.999 539 HD1 TYR 70 HD1 TYR 70 -5.611 -5.703 -4.741 540 HD2 TYR 70 HD2 TYR 70 -7.542 -3.148 -7.543 541 HE1 TYR 70 HE1 TYR 70 -4.751 -7.084 -6.584 542 HE2 TYR 70 HE2 TYR 70 -6.689 -4.525 -9.391 543 HH TYR 70 HH TYR 70 -5.427 -7.581 -8.980 544 H THR 71 H THR 71 -9.204 -5.774 -5.921 545 HA THR 71 HA THR 71 -9.465 -7.516 -3.568 546 HB THR 71 HB THR 71 -10.470 -8.034 -6.373 547 HG1 THR 71 HG1 THR 71 -11.366 -6.216 -4.795 548 HG21 THR 71 HG21 THR 71 -10.171 -10.048 -5.012 549 HG22 THR 71 HG22 THR 71 -11.882 -9.716 -5.278 550 HG23 THR 71 HG23 THR 71 -11.141 -9.331 -3.725 551 H ILE 72 H ILE 72 -7.474 -8.372 -3.195 552 HA ILE 72 HA ILE 72 -5.713 -9.116 -5.363 553 HB ILE 72 HB ILE 72 -5.412 -9.774 -2.429 554 HG12 ILE 72 HG12 ILE 72 -4.328 -7.407 -3.977 555 HG13 ILE 72 HG11 ILE 72 -5.598 -7.340 -2.759 556 HG21 ILE 72 HG21 ILE 72 -4.031 -11.131 -3.902 557 HG22 ILE 72 HG22 ILE 72 -3.037 -10.005 -2.978 558 HG23 ILE 72 HG23 ILE 72 -3.400 -9.676 -4.672 559 HD11 ILE 72 HD11 ILE 72 -2.687 -7.947 -2.376 560 HD12 ILE 72 HD12 ILE 72 -3.898 -8.290 -1.144 561 HD13 ILE 72 HD13 ILE 72 -3.638 -6.627 -1.681 562 H LYS 73 H LYS 73 -5.551 -11.074 -6.291 563 HA LYS 73 HA LYS 73 -7.185 -13.241 -5.146 564 HB2 LYS 73 HB2 LYS 73 -6.456 -12.783 -8.047 565 HB3 LYS 73 HB1 LYS 73 -7.501 -14.053 -7.427 566 HG2 LYS 73 HG2 LYS 73 -9.138 -12.423 -6.727 567 HG3 LYS 73 HG1 LYS 73 -8.075 -11.105 -7.222 568 HD2 LYS 73 HD2 LYS 73 -8.179 -11.960 -9.549 569 HD3 LYS 73 HD1 LYS 73 -9.338 -13.179 -9.013 570 HE2 LYS 73 HE2 LYS 73 -10.860 -11.401 -8.288 571 HE3 LYS 73 HE1 LYS 73 -9.704 -10.190 -8.839 572 HZ1 LYS 73 HZ1 LYS 73 -11.130 -12.168 -10.533 573 HZ2 LYS 73 HZ2 LYS 73 -9.943 -11.103 -11.096 574 HZ3 LYS 73 HZ3 LYS 73 -11.400 -10.499 -10.488 575 H GLY 74 H GLY 74 -6.293 -15.239 -4.887 576 HA2 GLY 74 HA2 GLY 74 -4.735 -16.953 -5.464 577 HA3 GLY 74 HA1 GLY 74 -3.623 -15.713 -6.022 578 H LEU 75 H LEU 75 -5.219 -15.195 -3.008 579 HA LEU 75 HA LEU 75 -2.658 -15.551 -1.642 580 HB2 LEU 75 HB2 LEU 75 -5.229 -14.278 -0.693 581 HB3 LEU 75 HB1 LEU 75 -3.751 -14.373 0.244 582 HG LEU 75 HG LEU 75 -4.234 -12.758 -2.261 583 HD11 LEU 75 HD11 LEU 75 -5.048 -11.799 -0.172 584 HD12 LEU 75 HD12 LEU 75 -3.689 -10.882 -0.822 585 HD13 LEU 75 HD13 LEU 75 -3.444 -11.978 0.537 586 HD21 LEU 75 HD21 LEU 75 -2.024 -13.737 -2.434 587 HD22 LEU 75 HD22 LEU 75 -1.644 -13.230 -0.790 588 HD23 LEU 75 HD23 LEU 75 -1.896 -12.022 -2.050 589 H LYS 76 H LYS 76 -2.290 -17.085 -0.152 590 HA LYS 76 HA LYS 76 -4.377 -19.126 0.140 591 HB2 LYS 76 HB2 LYS 76 -1.392 -19.250 0.610 592 HB3 LYS 76 HB1 LYS 76 -2.501 -20.599 0.826 593 HG2 LYS 76 HG2 LYS 76 -3.033 -20.599 -1.525 594 HG3 LYS 76 HG1 LYS 76 -2.047 -19.159 -1.780 595 HD2 LYS 76 HD2 LYS 76 -0.826 -21.131 -2.481 596 HD3 LYS 76 HD1 LYS 76 -0.058 -20.425 -1.060 597 HE2 LYS 76 HE2 LYS 76 -0.125 -22.826 -0.828 598 HE3 LYS 76 HE1 LYS 76 -1.208 -22.094 0.352 599 HZ1 LYS 76 HZ1 LYS 76 -2.076 -23.239 -2.246 600 HZ2 LYS 76 HZ2 LYS 76 -3.081 -22.644 -1.026 601 HZ3 LYS 76 HZ3 LYS 76 -2.170 -24.044 -0.762 602 HA PRO 77 HA PRO 77 -4.966 -17.865 4.433 603 HB2 PRO 77 HB2 PRO 77 -6.303 -20.520 4.455 604 HB3 PRO 77 HB1 PRO 77 -6.908 -18.952 5.001 605 HG2 PRO 77 HG2 PRO 77 -7.791 -20.018 2.734 606 HG3 PRO 77 HG1 PRO 77 -7.474 -18.277 2.848 607 HD2 PRO 77 HD2 PRO 77 -5.817 -20.427 1.586 608 HD3 PRO 77 HD1 PRO 77 -6.150 -18.780 1.014 609 H GLY 78 H GLY 78 -3.678 -18.253 6.120 610 HA2 GLY 78 HA2 GLY 78 -2.493 -19.693 7.631 611 HA3 GLY 78 HA1 GLY 78 -2.311 -20.852 6.319 612 H VAL 79 H VAL 79 -1.598 -18.842 4.382 613 HA VAL 79 HA VAL 79 1.222 -18.672 4.973 614 HB VAL 79 HB VAL 79 -0.360 -17.796 2.543 615 HG11 VAL 79 HG11 VAL 79 1.751 -16.569 2.727 616 HG12 VAL 79 HG12 VAL 79 1.765 -17.705 1.374 617 HG13 VAL 79 HG13 VAL 79 2.617 -18.101 2.866 618 HG21 VAL 79 HG21 VAL 79 0.581 -19.806 1.498 619 HG22 VAL 79 HG22 VAL 79 -0.451 -20.193 2.876 620 HG23 VAL 79 HG23 VAL 79 1.305 -20.254 3.041 621 H VAL 80 H VAL 80 2.336 -16.850 5.490 622 HA VAL 80 HA VAL 80 0.822 -14.461 6.139 623 HB VAL 80 HB VAL 80 3.797 -14.874 6.461 624 HG11 VAL 80 HG11 VAL 80 3.582 -13.183 8.215 625 HG12 VAL 80 HG12 VAL 80 1.858 -13.048 7.874 626 HG13 VAL 80 HG13 VAL 80 3.038 -12.567 6.655 627 HG21 VAL 80 HG21 VAL 80 2.653 -16.695 7.592 628 HG22 VAL 80 HG22 VAL 80 1.611 -15.542 8.425 629 HG23 VAL 80 HG23 VAL 80 3.341 -15.573 8.765 630 H TYR 81 H TYR 81 1.100 -12.453 5.151 631 HA TYR 81 HA TYR 81 2.795 -12.427 2.745 632 HB2 TYR 81 HB2 TYR 81 -0.067 -11.498 2.980 633 HB3 TYR 81 HB1 TYR 81 0.985 -11.064 1.640 634 HD1 TYR 81 HD1 TYR 81 1.754 -12.787 0.059 635 HD2 TYR 81 HD2 TYR 81 -1.048 -13.683 3.131 636 HE1 TYR 81 HE1 TYR 81 1.136 -14.853 -1.115 637 HE2 TYR 81 HE2 TYR 81 -1.674 -15.755 1.963 638 HH TYR 81 HH TYR 81 0.126 -16.942 -0.753 639 H GLU 82 H GLU 82 3.826 -10.573 2.275 640 HA GLU 82 HA GLU 82 3.541 -8.319 4.143 641 HB2 GLU 82 HB2 GLU 82 5.754 -9.218 2.305 642 HB3 GLU 82 HB1 GLU 82 5.717 -7.588 2.960 643 HG2 GLU 82 HG2 GLU 82 5.623 -10.027 4.693 644 HG3 GLU 82 HG1 GLU 82 7.134 -9.275 4.189 645 H GLY 83 H GLY 83 2.115 -6.863 3.400 646 HA2 GLY 83 HA2 GLY 83 2.137 -6.295 0.504 647 HA3 GLY 83 HA1 GLY 83 0.703 -6.178 1.514 648 H GLN 84 H GLN 84 2.321 -4.234 -0.191 649 HA GLN 84 HA GLN 84 2.267 -2.102 1.830 650 HB2 GLN 84 HB2 GLN 84 4.278 -2.248 -0.424 651 HB3 GLN 84 HB1 GLN 84 4.159 -0.986 0.793 652 HG2 GLN 84 HG2 GLN 84 5.889 -2.216 1.624 653 HG3 GLN 84 HG1 GLN 84 4.530 -2.975 2.451 654 HE21 GLN 84 HE21 GLN 84 5.552 -4.929 2.717 655 HE22 GLN 84 HE22 GLN 84 5.877 -5.999 1.401 656 H LEU 85 H LEU 85 1.135 -0.366 1.279 657 HA LEU 85 HA LEU 85 0.087 -0.188 -1.454 658 HB2 LEU 85 HB2 LEU 85 -1.480 -0.183 0.518 659 HB3 LEU 85 HB1 LEU 85 -0.757 1.326 1.027 660 HG LEU 85 HG LEU 85 -2.999 1.453 -0.178 661 HD11 LEU 85 HD11 LEU 85 -0.736 3.057 -1.351 662 HD12 LEU 85 HD12 LEU 85 -1.537 3.397 0.182 663 HD13 LEU 85 HD13 LEU 85 -2.443 3.498 -1.327 664 HD21 LEU 85 HD21 LEU 85 -2.975 1.380 -2.593 665 HD22 LEU 85 HD22 LEU 85 -2.446 -0.171 -1.942 666 HD23 LEU 85 HD23 LEU 85 -1.263 0.962 -2.593 667 H ILE 86 H ILE 86 1.489 0.898 -2.701 668 HA ILE 86 HA ILE 86 2.911 3.196 -1.573 669 HB ILE 86 HB ILE 86 3.293 1.962 -4.310 670 HG12 ILE 86 HG12 ILE 86 5.516 1.205 -3.136 671 HG13 ILE 86 HG11 ILE 86 4.567 1.351 -1.664 672 HG21 ILE 86 HG21 ILE 86 5.016 3.863 -2.725 673 HG22 ILE 86 HG22 ILE 86 4.017 4.289 -4.118 674 HG23 ILE 86 HG23 ILE 86 5.393 3.202 -4.317 675 HD11 ILE 86 HD11 ILE 86 4.581 -0.928 -2.460 676 HD12 ILE 86 HD12 ILE 86 3.932 -0.410 -4.018 677 HD13 ILE 86 HD13 ILE 86 2.954 -0.254 -2.558 678 H SER 87 H SER 87 1.797 5.018 -1.664 679 HA SER 87 HA SER 87 -0.037 5.488 -3.878 680 HB2 SER 87 HB2 SER 87 -0.645 7.543 -2.513 681 HB3 SER 87 HB1 SER 87 -0.988 5.990 -1.754 682 HG SER 87 HG SER 87 1.146 6.286 -0.709 683 H ILE 88 H ILE 88 0.707 6.415 -5.645 684 HA ILE 88 HA ILE 88 3.088 8.091 -5.551 685 HB ILE 88 HB ILE 88 1.433 7.245 -7.936 686 HG12 ILE 88 HG12 ILE 88 2.439 5.315 -6.801 687 HG13 ILE 88 HG11 ILE 88 3.198 5.599 -8.362 688 HG21 ILE 88 HG21 ILE 88 4.179 8.482 -7.779 689 HG22 ILE 88 HG22 ILE 88 2.711 9.264 -8.363 690 HG23 ILE 88 HG23 ILE 88 3.397 7.905 -9.252 691 HD11 ILE 88 HD11 ILE 88 4.322 6.348 -5.676 692 HD12 ILE 88 HD12 ILE 88 5.081 6.682 -7.233 693 HD13 ILE 88 HD13 ILE 88 4.848 5.015 -6.702 694 H GLN 89 H GLN 89 2.691 10.110 -4.899 695 HA GLN 89 HA GLN 89 0.205 11.427 -5.505 696 HB2 GLN 89 HB2 GLN 89 2.702 12.305 -4.074 697 HB3 GLN 89 HB1 GLN 89 1.347 13.388 -4.367 698 HG2 GLN 89 HG2 GLN 89 -0.120 11.896 -3.111 699 HG3 GLN 89 HG1 GLN 89 1.239 10.810 -2.817 700 HE21 GLN 89 HE21 GLN 89 2.819 11.400 -1.370 701 HE22 GLN 89 HE22 GLN 89 2.622 12.705 -0.254 702 H GLN 90 H GLN 90 0.126 13.538 -6.441 703 HA GLN 90 HA GLN 90 0.996 13.515 -9.096 704 HB2 GLN 90 HB2 GLN 90 -1.037 14.630 -8.129 705 HB3 GLN 90 HB1 GLN 90 0.018 15.892 -7.514 706 HG2 GLN 90 HG2 GLN 90 0.709 16.381 -9.836 707 HG3 GLN 90 HG1 GLN 90 -0.468 15.192 -10.396 708 HE21 GLN 90 HE21 GLN 90 -0.002 18.318 -8.985 709 HE22 GLN 90 HE22 GLN 90 -1.628 18.876 -9.180 710 H TYR 91 H TYR 91 2.634 14.529 -6.309 711 HA TYR 91 HA TYR 91 4.353 16.424 -7.716 712 HB2 TYR 91 HB2 TYR 91 4.618 15.548 -4.841 713 HB3 TYR 91 HB1 TYR 91 5.200 17.033 -5.583 714 HD1 TYR 91 HD1 TYR 91 3.416 18.692 -6.440 715 HD2 TYR 91 HD2 TYR 91 2.564 15.500 -3.759 716 HE1 TYR 91 HE1 TYR 91 1.346 19.828 -5.752 717 HE2 TYR 91 HE2 TYR 91 0.494 16.626 -3.068 718 HH TYR 91 HH TYR 91 -0.856 19.206 -4.768 719 H GLY 92 H GLY 92 4.160 13.178 -7.429 720 HA2 GLY 92 HA2 GLY 92 5.765 11.629 -8.153 721 HA3 GLY 92 HA1 GLY 92 7.022 12.822 -7.865 722 H HIS 93 H HIS 93 5.489 13.219 -5.194 723 HA HIS 93 HA HIS 93 7.251 11.765 -3.567 724 HB2 HIS 93 HB2 HIS 93 6.093 13.865 -2.900 725 HB3 HIS 93 HB1 HIS 93 4.579 12.980 -2.820 726 HD1 HIS 93 HD1 HIS 93 5.182 14.310 -0.323 727 HD2 HIS 93 HD2 HIS 93 6.849 10.606 -1.182 728 HE1 HIS 93 HE1 HIS 93 5.770 13.303 1.899 729 HE2 HIS 93 HE2 HIS 93 6.468 10.945 1.349 730 H GLN 94 H GLN 94 7.258 9.687 -3.097 731 HA GLN 94 HA GLN 94 4.826 8.106 -3.501 732 HB2 GLN 94 HB2 GLN 94 7.625 7.098 -2.969 733 HB3 GLN 94 HB1 GLN 94 6.261 6.184 -3.599 734 HG2 GLN 94 HG2 GLN 94 6.311 7.566 -5.634 735 HG3 GLN 94 HG1 GLN 94 7.727 8.405 -5.004 736 HE21 GLN 94 HE21 GLN 94 7.460 6.865 -7.429 737 HE22 GLN 94 HE22 GLN 94 8.623 5.587 -7.332 738 H GLU 95 H GLU 95 3.651 7.572 -1.785 739 HA GLU 95 HA GLU 95 4.981 7.443 0.842 740 HB2 GLU 95 HB2 GLU 95 2.117 8.058 0.108 741 HB3 GLU 95 HB1 GLU 95 2.651 7.758 1.754 742 HG2 GLU 95 HG2 GLU 95 3.806 9.923 0.025 743 HG3 GLU 95 HG1 GLU 95 2.420 10.168 1.086 744 H VAL 96 H VAL 96 5.296 5.455 1.563 745 HA VAL 96 HA VAL 96 3.701 3.275 0.408 746 HB VAL 96 HB VAL 96 6.406 3.156 1.751 747 HG11 VAL 96 HG11 VAL 96 5.222 1.072 2.066 748 HG12 VAL 96 HG12 VAL 96 6.487 0.848 0.857 749 HG13 VAL 96 HG13 VAL 96 4.807 1.013 0.352 750 HG21 VAL 96 HG21 VAL 96 5.628 3.046 -1.161 751 HG22 VAL 96 HG22 VAL 96 7.231 2.658 -0.537 752 HG23 VAL 96 HG23 VAL 96 6.588 4.289 -0.357 753 H THR 97 H THR 97 2.065 2.714 1.690 754 HA THR 97 HA THR 97 2.524 2.581 4.584 755 HB THR 97 HB THR 97 -0.084 2.266 3.090 756 HG1 THR 97 HG1 THR 97 -0.240 4.479 4.330 757 HG21 THR 97 HG21 THR 97 -1.074 2.661 5.310 758 HG22 THR 97 HG22 THR 97 0.542 2.689 6.013 759 HG23 THR 97 HG23 THR 97 -0.075 1.208 5.283 760 H ARG 98 H ARG 98 3.238 0.699 5.291 761 HA ARG 98 HA ARG 98 2.832 -1.739 3.799 762 HB2 ARG 98 HB2 ARG 98 4.183 -1.258 6.459 763 HB3 ARG 98 HB1 ARG 98 4.226 -2.762 5.555 764 HG2 ARG 98 HG2 ARG 98 5.411 -1.613 3.731 765 HG3 ARG 98 HG1 ARG 98 5.384 -0.126 4.679 766 HD2 ARG 98 HD2 ARG 98 7.528 -1.357 4.851 767 HD3 ARG 98 HD1 ARG 98 6.723 -1.119 6.399 768 HE ARG 98 HE ARG 98 6.146 -3.649 5.138 769 HH11 ARG 98 HH11 ARG 98 8.260 -1.896 7.305 770 HH12 ARG 98 HH12 ARG 98 8.828 -3.322 8.112 771 HH21 ARG 98 HH21 ARG 98 6.895 -5.554 6.215 772 HH22 ARG 98 HH22 ARG 98 8.060 -5.389 7.495 773 H PHE 99 H PHE 99 1.566 -3.462 4.388 774 HA PHE 99 HA PHE 99 0.181 -3.312 6.960 775 HB2 PHE 99 HB2 PHE 99 -1.952 -3.960 5.980 776 HB3 PHE 99 HB1 PHE 99 -1.402 -2.444 5.287 777 HD1 PHE 99 HD1 PHE 99 -0.687 -2.330 2.955 778 HD2 PHE 99 HD2 PHE 99 -2.153 -5.949 4.653 779 HE1 PHE 99 HE1 PHE 99 -1.025 -3.250 0.699 780 HE2 PHE 99 HE2 PHE 99 -2.483 -6.878 2.400 781 HZ PHE 99 HZ PHE 99 -1.921 -5.527 0.421 782 H ASP 100 H ASP 100 -0.343 -5.276 7.856 783 HA ASP 100 HA ASP 100 1.124 -7.551 6.734 784 HB2 ASP 100 HB2 ASP 100 1.848 -7.003 8.951 785 HB3 ASP 100 HB1 ASP 100 0.193 -6.891 9.533 786 H PHE 101 H PHE 101 0.087 -9.368 6.118 787 HA PHE 101 HA PHE 101 -2.690 -9.717 6.970 788 HB2 PHE 101 HB2 PHE 101 -2.985 -8.804 4.793 789 HB3 PHE 101 HB1 PHE 101 -1.693 -9.798 4.123 790 HD1 PHE 101 HD1 PHE 101 -4.998 -10.133 5.821 791 HD2 PHE 101 HD2 PHE 101 -2.239 -11.735 3.006 792 HE1 PHE 101 HE1 PHE 101 -6.627 -11.876 5.222 793 HE2 PHE 101 HE2 PHE 101 -3.864 -13.478 2.399 794 HZ PHE 101 HZ PHE 101 -6.059 -13.552 3.507 795 H THR 102 H THR 102 -3.155 -11.672 7.615 796 HA THR 102 HA THR 102 -2.408 -13.989 6.231 797 HB THR 102 HB THR 102 -0.251 -13.562 7.479 798 HG1 THR 102 HG1 THR 102 -0.724 -15.646 6.786 799 HG21 THR 102 HG21 THR 102 -1.942 -14.263 9.878 800 HG22 THR 102 HG22 THR 102 -1.160 -12.713 9.572 801 HG23 THR 102 HG23 THR 102 -0.182 -14.151 9.863 802 H THR 103 H THR 103 -3.752 -15.665 6.789 803 HA THR 103 HA THR 103 -5.292 -15.526 9.248 804 HB THR 103 HB THR 103 -6.684 -15.558 6.557 805 HG1 THR 103 HG1 THR 103 -5.846 -13.506 8.133 806 HG21 THR 103 HG21 THR 103 -8.740 -15.390 7.865 807 HG22 THR 103 HG22 THR 103 -7.805 -15.435 9.360 808 HG23 THR 103 HG23 THR 103 -7.842 -16.845 8.302 809 H THR 104 H THR 104 -4.789 -17.497 9.988 810 HA THR 104 HA THR 104 -4.445 -19.724 8.176 811 HB THR 104 HB THR 104 -4.304 -19.745 11.196 812 HG1 THR 104 HG1 THR 104 -2.739 -18.317 10.626 813 HG21 THR 104 HG21 THR 104 -4.457 -21.950 10.114 814 HG22 THR 104 HG22 THR 104 -2.876 -21.696 10.853 815 HG23 THR 104 HG23 THR 104 -3.068 -21.546 9.107 816 H SER 105 H SER 105 -6.364 -20.401 7.381 817 HA SER 105 HA SER 105 -8.705 -20.553 9.060 818 HB2 SER 105 HB2 SER 105 -8.321 -21.326 6.160 819 HB3 SER 105 HB1 SER 105 -9.868 -21.183 6.996 820 HG SER 105 HG SER 105 -9.267 -19.297 5.764 821 H THR 106 H THR 106 -6.953 -22.246 10.186 822 HA THR 106 HA THR 106 -7.465 -24.942 9.253 823 HB THR 106 HB THR 106 -6.187 -24.131 11.873 824 HG1 THR 106 HG1 THR 106 -4.315 -23.879 10.830 825 HG21 THR 106 HG21 THR 106 -6.000 -26.644 10.205 826 HG22 THR 106 HG22 THR 106 -6.866 -26.473 11.733 827 HG23 THR 106 HG23 THR 106 -5.108 -26.335 11.693 828 H SER 107 H SER 107 -9.785 -24.749 9.363 829 HA SER 107 HA SER 107 -11.002 -24.371 11.968 830 HB2 SER 107 HB2 SER 107 -11.966 -23.389 9.881 831 HB3 SER 107 HB1 SER 107 -12.306 -25.022 9.316 832 HG SER 107 HG SER 107 -13.577 -23.503 11.258 833 H THR 108 H THR 108 -9.797 -26.956 10.139 834 HA THR 108 HA THR 108 -11.416 -28.857 11.702 835 HB THR 108 HB THR 108 -10.080 -29.363 9.035 836 HG1 THR 108 HG1 THR 108 -12.608 -28.449 9.789 837 HG21 THR 108 HG21 THR 108 -12.001 -31.049 10.650 838 HG22 THR 108 HG22 THR 108 -10.281 -31.376 10.430 839 HG23 THR 108 HG23 THR 108 -11.378 -31.443 9.049 840 HA PRO 109 HA PRO 109 -7.218 -29.555 13.400 841 HB2 PRO 109 HB2 PRO 109 -8.747 -30.536 15.701 842 HB3 PRO 109 HB1 PRO 109 -7.540 -29.251 15.630 843 HG2 PRO 109 HG2 PRO 109 -10.154 -28.736 16.023 844 HG3 PRO 109 HG1 PRO 109 -9.099 -27.630 15.123 845 HD2 PRO 109 HD2 PRO 109 -11.070 -29.637 14.082 846 HD3 PRO 109 HD1 PRO 109 -10.759 -27.975 13.536 847 H GLY 110 H GLY 110 -10.016 -31.484 12.883 848 HA2 GLY 110 HA2 GLY 110 -9.047 -34.005 13.712 849 HA3 GLY 110 HA1 GLY 110 -10.348 -33.729 12.565 850 H SER 111 H SER 111 -8.154 -32.058 11.077 851 HA SER 111 HA SER 111 -7.346 -34.111 9.281 852 HB2 SER 111 HB2 SER 111 -6.277 -31.287 9.510 853 HB3 SER 111 HB1 SER 111 -6.173 -32.345 8.102 854 HG SER 111 HG SER 111 -7.974 -30.648 8.347 855 H ARG 112 H ARG 112 -6.091 -32.828 12.184 856 HA ARG 112 HA ARG 112 -3.382 -33.732 11.825 857 HB2 ARG 112 HB2 ARG 112 -3.833 -31.883 13.335 858 HB3 ARG 112 HB1 ARG 112 -4.945 -32.874 14.270 859 HG2 ARG 112 HG2 ARG 112 -3.015 -34.348 14.850 860 HG3 ARG 112 HG1 ARG 112 -1.958 -33.164 14.073 861 HD2 ARG 112 HD2 ARG 112 -2.786 -31.442 15.610 862 HD3 ARG 112 HD1 ARG 112 -3.812 -32.638 16.391 863 HE ARG 112 HE ARG 112 -0.967 -33.217 16.336 864 HH11 ARG 112 HH11 ARG 112 -3.698 -31.987 18.140 865 HH12 ARG 112 HH12 ARG 112 -2.908 -32.124 19.679 866 HH21 ARG 112 HH21 ARG 112 0.082 -33.390 18.371 867 HH22 ARG 112 HH22 ARG 112 -0.771 -32.928 19.810 868 H SER 113 H SER 113 -6.259 -34.815 13.558 869 HA SER 113 HA SER 113 -5.137 -37.124 14.715 870 HB2 SER 113 HB2 SER 113 -8.043 -36.696 13.998 871 HB3 SER 113 HB1 SER 113 -7.390 -37.693 15.300 872 HG SER 113 HG SER 113 -6.465 -35.591 16.067 873 H HIS 114 H HIS 114 -5.024 -39.209 14.037 874 HA HIS 114 HA HIS 114 -5.036 -41.028 12.683 875 HB2 HIS 114 HB2 HIS 114 -7.358 -39.635 11.319 876 HB3 HIS 114 HB1 HIS 114 -6.896 -41.316 11.077 877 HD1 HIS 114 HD1 HIS 114 -9.066 -39.228 13.066 878 HD2 HIS 114 HD2 HIS 114 -7.144 -42.878 13.581 879 HE1 HIS 114 HE1 HIS 114 -10.221 -40.335 14.999 880 HE2 HIS 114 HE2 HIS 114 -9.114 -42.582 15.233 881 H HIS 115 H HIS 115 -6.067 -40.490 9.750 882 HA HIS 115 HA HIS 115 -5.144 -40.120 7.726 883 HB2 HIS 115 HB2 HIS 115 -3.761 -37.948 9.284 884 HB3 HIS 115 HB1 HIS 115 -3.474 -38.183 7.565 885 HD1 HIS 115 HD1 HIS 115 -4.782 -36.545 6.270 886 HD2 HIS 115 HD2 HIS 115 -6.863 -37.855 9.619 887 HE1 HIS 115 HE1 HIS 115 -6.999 -35.364 6.191 888 HE2 HIS 115 HE2 HIS 115 -8.318 -36.365 8.088 889 H HIS 116 H HIS 116 -4.000 -42.102 9.503 890 HA HIS 116 HA HIS 116 -1.175 -42.109 8.715 891 HB2 HIS 116 HB2 HIS 116 -2.726 -43.931 10.570 892 HB3 HIS 116 HB1 HIS 116 -1.031 -44.157 10.158 893 HD1 HIS 116 HD1 HIS 116 -2.591 -43.288 12.980 894 HD2 HIS 116 HD2 HIS 116 0.039 -41.113 10.609 895 HE1 HIS 116 HE1 HIS 116 -1.614 -41.532 14.489 896 HE2 HIS 116 HE2 HIS 116 0.091 -40.340 13.075 897 H HIS 117 H HIS 117 -3.964 -42.855 7.345 898 HA HIS 117 HA HIS 117 -2.751 -44.918 5.660 899 HB2 HIS 117 HB2 HIS 117 -4.315 -45.945 7.389 900 HB3 HIS 117 HB1 HIS 117 -5.624 -45.078 6.597 901 HD1 HIS 117 HD1 HIS 117 -6.753 -46.288 4.748 902 HD2 HIS 117 HD2 HIS 117 -2.986 -47.831 5.568 903 HE1 HIS 117 HE1 HIS 117 -6.535 -48.338 3.313 904 HE2 HIS 117 HE2 HIS 117 -4.345 -49.371 4.001 905 H HIS 118 H HIS 118 -2.745 -42.311 5.066 906 HA HIS 118 HA HIS 118 -3.295 -40.734 3.547 907 HB2 HIS 118 HB2 HIS 118 -4.771 -43.058 2.350 908 HB3 HIS 118 HB1 HIS 118 -4.923 -41.447 1.661 909 HD1 HIS 118 HD1 HIS 118 -3.321 -40.970 -0.139 910 HD2 HIS 118 HD2 HIS 118 -1.865 -43.843 2.486 911 HE1 HIS 118 HE1 HIS 118 -1.122 -41.707 -1.101 912 HE2 HIS 118 HE2 HIS 118 -0.196 -43.343 0.570 913 H HIS 119 H HIS 119 -6.379 -42.489 3.816 914 HA HIS 119 HA HIS 119 -7.565 -40.137 5.093 915 HB2 HIS 119 HB2 HIS 119 -8.606 -41.473 2.588 916 HB3 HIS 119 HB1 HIS 119 -9.575 -40.396 3.586 917 HD1 HIS 119 HD1 HIS 119 -7.231 -40.409 0.810 918 HD2 HIS 119 HD2 HIS 119 -8.481 -37.684 3.687 919 HE1 HIS 119 HE1 HIS 119 -6.519 -38.153 -0.043 920 HE2 HIS 119 HE2 HIS 119 -7.486 -36.512 1.608 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 5.363 22.959 6.802 2 H2 GLY 1 HT2 GLY 1 6.233 22.088 5.645 3 H3 GLY 1 HT3 GLY 1 5.086 21.303 6.604 4 HA2 GLY 1 HA1 GLY 1 3.314 22.580 5.592 5 HA3 GLY 1 HA2 GLY 1 4.506 23.408 4.600 6 H SER 2 H SER 2 2.175 21.507 4.059 7 HA SER 2 HA SER 2 3.505 19.214 2.885 8 HB2 SER 2 HB2 SER 2 0.579 19.976 2.839 9 HB3 SER 2 HB1 SER 2 1.258 18.411 2.391 10 HG SER 2 HG SER 2 2.145 19.027 4.820 11 H GLN 3 H GLN 3 3.582 22.175 1.900 12 HA GLN 3 HA GLN 3 2.671 21.908 -0.813 13 HB2 GLN 3 HB2 GLN 3 2.948 24.097 0.504 14 HB3 GLN 3 HB1 GLN 3 4.668 23.935 0.182 15 HG2 GLN 3 HG2 GLN 3 3.652 25.413 -1.426 16 HG3 GLN 3 HG1 GLN 3 4.210 23.941 -2.223 17 HE21 GLN 3 HE21 GLN 3 1.448 25.796 -1.230 18 HE22 GLN 3 HE22 GLN 3 0.271 24.908 -2.138 19 H THR 4 H THR 4 5.742 21.747 0.917 20 HA THR 4 HA THR 4 6.985 20.552 -1.462 21 HB THR 4 HB THR 4 8.312 21.588 1.057 22 HG1 THR 4 HG1 THR 4 7.777 22.711 -1.484 23 HG21 THR 4 HG21 THR 4 9.601 19.810 -0.029 24 HG22 THR 4 HG22 THR 4 10.396 21.372 -0.221 25 HG23 THR 4 HG23 THR 4 9.499 20.669 -1.567 26 H THR 5 H THR 5 6.835 20.093 2.083 27 HA THR 5 HA THR 5 7.568 17.295 1.782 28 HB THR 5 HB THR 5 6.831 18.781 4.314 29 HG1 THR 5 HG1 THR 5 9.496 18.189 3.722 30 HG21 THR 5 HG21 THR 5 8.353 16.209 3.852 31 HG22 THR 5 HG22 THR 5 6.730 16.351 4.528 32 HG23 THR 5 HG23 THR 5 8.113 16.989 5.416 33 H ALA 6 H ALA 6 5.816 16.326 0.781 34 HA ALA 6 HA ALA 6 3.275 16.436 2.269 35 HB1 ALA 6 HB1 ALA 6 2.092 16.139 0.165 36 HB2 ALA 6 HB2 ALA 6 3.624 16.109 -0.708 37 HB3 ALA 6 HB3 ALA 6 3.106 17.581 0.113 38 HA PRO 7 HA PRO 7 4.275 11.969 2.198 39 HB2 PRO 7 HB2 PRO 7 3.880 11.503 4.810 40 HB3 PRO 7 HB1 PRO 7 5.410 12.156 4.215 41 HG2 PRO 7 HG2 PRO 7 3.156 13.540 5.583 42 HG3 PRO 7 HG1 PRO 7 4.900 13.823 5.723 43 HD2 PRO 7 HD2 PRO 7 3.130 15.324 4.179 44 HD3 PRO 7 HD1 PRO 7 4.894 15.300 3.997 45 H ASP 8 H ASP 8 2.187 12.398 0.958 46 HA ASP 8 HA ASP 8 -0.242 12.472 2.544 47 HB2 ASP 8 HB2 ASP 8 0.201 13.973 0.567 48 HB3 ASP 8 HB1 ASP 8 0.043 12.553 -0.459 49 H ALA 9 H ALA 9 0.763 10.120 3.059 50 HA ALA 9 HA ALA 9 -0.246 8.109 1.210 51 HB1 ALA 9 HB1 ALA 9 1.931 7.746 2.198 52 HB2 ALA 9 HB2 ALA 9 0.801 6.503 2.727 53 HB3 ALA 9 HB3 ALA 9 1.235 7.824 3.814 54 HA PRO 10 HA PRO 10 -3.978 7.213 3.606 55 HB2 PRO 10 HB2 PRO 10 -3.442 4.433 2.723 56 HB3 PRO 10 HB1 PRO 10 -4.893 5.418 2.504 57 HG2 PRO 10 HG2 PRO 10 -3.268 4.902 0.454 58 HG3 PRO 10 HG1 PRO 10 -4.039 6.491 0.631 59 HD2 PRO 10 HD2 PRO 10 -1.234 5.674 1.260 60 HD3 PRO 10 HD1 PRO 10 -1.820 7.146 0.505 61 HA PRO 11 HA PRO 11 -1.682 6.219 7.305 62 HB2 PRO 11 HB2 PRO 11 -4.446 5.935 8.374 63 HB3 PRO 11 HB1 PRO 11 -3.084 6.873 8.998 64 HG2 PRO 11 HG2 PRO 11 -5.075 8.088 7.744 65 HG3 PRO 11 HG1 PRO 11 -3.398 8.591 7.469 66 HD2 PRO 11 HD2 PRO 11 -5.195 6.953 5.731 67 HD3 PRO 11 HD1 PRO 11 -4.002 8.189 5.280 68 H ASP 12 H ASP 12 -4.506 4.217 6.405 69 HA ASP 12 HA ASP 12 -3.005 1.848 7.141 70 HB2 ASP 12 HB2 ASP 12 -4.012 2.446 9.276 71 HB3 ASP 12 HB1 ASP 12 -5.601 2.540 8.525 72 HA PRO 13 HA PRO 13 -5.768 0.331 3.906 73 HB2 PRO 13 HB2 PRO 13 -3.796 -1.701 3.419 74 HB3 PRO 13 HB1 PRO 13 -4.216 -0.332 2.388 75 HG2 PRO 13 HG2 PRO 13 -1.797 -0.620 3.663 76 HG3 PRO 13 HG1 PRO 13 -2.479 0.936 3.160 77 HD2 PRO 13 HD2 PRO 13 -2.496 -0.356 5.865 78 HD3 PRO 13 HD1 PRO 13 -2.225 1.346 5.428 79 H THR 14 H THR 14 -7.377 -0.827 4.779 80 HA THR 14 HA THR 14 -6.734 -2.920 6.733 81 HB THR 14 HB THR 14 -9.473 -1.830 6.118 82 HG1 THR 14 HG1 THR 14 -7.361 -0.713 7.636 83 HG21 THR 14 HG21 THR 14 -9.378 -3.893 7.431 84 HG22 THR 14 HG22 THR 14 -9.951 -2.546 8.415 85 HG23 THR 14 HG23 THR 14 -8.292 -3.117 8.583 86 H VAL 15 H VAL 15 -7.372 -5.018 6.453 87 HA VAL 15 HA VAL 15 -8.251 -5.733 3.765 88 HB VAL 15 HB VAL 15 -7.051 -7.422 5.965 89 HG11 VAL 15 HG11 VAL 15 -6.901 -9.199 4.265 90 HG12 VAL 15 HG12 VAL 15 -7.834 -8.192 3.158 91 HG13 VAL 15 HG13 VAL 15 -8.568 -8.774 4.651 92 HG21 VAL 15 HG21 VAL 15 -5.446 -5.904 4.970 93 HG22 VAL 15 HG22 VAL 15 -5.914 -6.427 3.352 94 HG23 VAL 15 HG23 VAL 15 -5.113 -7.554 4.445 95 H ASP 16 H ASP 16 -10.242 -6.399 3.373 96 HA ASP 16 HA ASP 16 -11.890 -7.379 5.617 97 HB2 ASP 16 HB2 ASP 16 -12.392 -5.012 4.669 98 HB3 ASP 16 HB1 ASP 16 -13.016 -5.866 3.264 99 H GLN 17 H GLN 17 -12.763 -9.332 5.296 100 HA GLN 17 HA GLN 17 -13.358 -11.310 4.363 101 HB2 GLN 17 HB2 GLN 17 -13.522 -9.617 1.896 102 HB3 GLN 17 HB1 GLN 17 -13.671 -11.347 1.782 103 HG2 GLN 17 HG2 GLN 17 -15.851 -10.388 1.861 104 HG3 GLN 17 HG1 GLN 17 -15.562 -11.260 3.365 105 HE21 GLN 17 HE21 GLN 17 -15.907 -8.144 1.876 106 HE22 GLN 17 HE22 GLN 17 -16.092 -7.238 3.341 107 H VAL 18 H VAL 18 -12.318 -13.119 3.721 108 HA VAL 18 HA VAL 18 -9.742 -12.785 2.337 109 HB VAL 18 HB VAL 18 -10.404 -14.969 4.323 110 HG11 VAL 18 HG11 VAL 18 -8.004 -15.452 4.235 111 HG12 VAL 18 HG12 VAL 18 -7.797 -14.196 3.014 112 HG13 VAL 18 HG13 VAL 18 -8.758 -15.629 2.650 113 HG21 VAL 18 HG21 VAL 18 -8.670 -12.532 4.714 114 HG22 VAL 18 HG22 VAL 18 -8.919 -13.834 5.877 115 HG23 VAL 18 HG23 VAL 18 -10.262 -12.784 5.426 116 H ASP 19 H ASP 19 -12.777 -14.363 2.545 117 HA ASP 19 HA ASP 19 -13.905 -15.813 1.205 118 HB2 ASP 19 HB2 ASP 19 -13.143 -13.871 -0.369 119 HB3 ASP 19 HB1 ASP 19 -12.035 -15.066 -1.031 120 H ASP 20 H ASP 20 -12.527 -17.099 -1.198 121 HA ASP 20 HA ASP 20 -11.332 -19.319 0.216 122 HB2 ASP 20 HB2 ASP 20 -12.715 -19.799 -1.716 123 HB3 ASP 20 HB1 ASP 20 -11.716 -18.770 -2.734 124 H THR 21 H THR 21 -10.250 -17.013 -2.265 125 HA THR 21 HA THR 21 -7.546 -17.085 -1.186 126 HB THR 21 HB THR 21 -6.743 -17.350 -3.664 127 HG1 THR 21 HG1 THR 21 -9.179 -18.832 -3.762 128 HG21 THR 21 HG21 THR 21 -6.158 -18.942 -1.927 129 HG22 THR 21 HG22 THR 21 -6.606 -19.803 -3.399 130 HG23 THR 21 HG23 THR 21 -7.743 -19.704 -2.055 131 H SER 22 H SER 22 -9.519 -14.987 -1.236 132 HA SER 22 HA SER 22 -8.075 -12.981 -2.750 133 HB2 SER 22 HB2 SER 22 -10.093 -12.179 -3.946 134 HB3 SER 22 HB1 SER 22 -9.625 -13.806 -4.443 135 HG SER 22 HG SER 22 -11.452 -13.546 -2.340 136 H ILE 23 H ILE 23 -8.089 -11.064 -1.712 137 HA ILE 23 HA ILE 23 -10.020 -10.731 0.505 138 HB ILE 23 HB ILE 23 -8.400 -9.397 1.680 139 HG12 ILE 23 HG12 ILE 23 -6.360 -9.900 -0.471 140 HG13 ILE 23 HG11 ILE 23 -7.430 -8.506 -0.549 141 HG21 ILE 23 HG21 ILE 23 -8.182 -11.745 2.094 142 HG22 ILE 23 HG22 ILE 23 -6.568 -11.043 2.029 143 HG23 ILE 23 HG23 ILE 23 -7.188 -11.955 0.654 144 HD11 ILE 23 HD11 ILE 23 -5.419 -7.760 0.411 145 HD12 ILE 23 HD12 ILE 23 -5.352 -9.132 1.521 146 HD13 ILE 23 HD13 ILE 23 -6.578 -7.883 1.737 147 H VAL 24 H VAL 24 -10.682 -8.528 0.967 148 HA VAL 24 HA VAL 24 -10.380 -6.698 -1.323 149 HB VAL 24 HB VAL 24 -12.440 -6.559 0.892 150 HG11 VAL 24 HG11 VAL 24 -12.221 -5.049 -1.710 151 HG12 VAL 24 HG12 VAL 24 -11.924 -4.395 -0.099 152 HG13 VAL 24 HG13 VAL 24 -13.545 -4.921 -0.552 153 HG21 VAL 24 HG21 VAL 24 -12.816 -8.534 -0.481 154 HG22 VAL 24 HG22 VAL 24 -12.749 -7.547 -1.941 155 HG23 VAL 24 HG23 VAL 24 -14.060 -7.319 -0.783 156 H VAL 25 H VAL 25 -8.656 -5.448 -0.946 157 HA VAL 25 HA VAL 25 -8.142 -4.547 1.792 158 HB VAL 25 HB VAL 25 -6.215 -5.570 0.836 159 HG11 VAL 25 HG11 VAL 25 -5.165 -4.749 -1.250 160 HG12 VAL 25 HG12 VAL 25 -6.602 -3.767 -1.538 161 HG13 VAL 25 HG13 VAL 25 -6.728 -5.527 -1.484 162 HG21 VAL 25 HG21 VAL 25 -4.562 -3.768 0.830 163 HG22 VAL 25 HG22 VAL 25 -5.721 -3.601 2.152 164 HG23 VAL 25 HG23 VAL 25 -5.864 -2.582 0.719 165 H ARG 26 H ARG 26 -8.755 -2.613 2.388 166 HA ARG 26 HA ARG 26 -9.163 -0.531 0.330 167 HB2 ARG 26 HB2 ARG 26 -10.794 -0.980 2.840 168 HB3 ARG 26 HB1 ARG 26 -11.051 0.295 1.658 169 HG2 ARG 26 HG2 ARG 26 -11.629 -1.358 -0.025 170 HG3 ARG 26 HG1 ARG 26 -11.325 -2.655 1.130 171 HD2 ARG 26 HD2 ARG 26 -13.712 -2.172 0.934 172 HD3 ARG 26 HD1 ARG 26 -13.113 -1.828 2.554 173 HE ARG 26 HE ARG 26 -13.116 0.478 0.844 174 HH11 ARG 26 HH11 ARG 26 -15.062 -1.504 2.960 175 HH12 ARG 26 HH12 ARG 26 -16.181 -0.234 3.341 176 HH21 ARG 26 HH21 ARG 26 -14.602 2.162 1.328 177 HH22 ARG 26 HH22 ARG 26 -15.920 1.850 2.412 178 H TRP 27 H TRP 27 -8.262 1.427 0.745 179 HA TRP 27 HA TRP 27 -7.004 1.737 3.384 180 HB2 TRP 27 HB2 TRP 27 -5.359 3.258 2.113 181 HB3 TRP 27 HB1 TRP 27 -5.193 1.517 1.930 182 HD1 TRP 27 HD1 TRP 27 -6.113 4.661 -0.022 183 HE1 TRP 27 HE1 TRP 27 -6.170 4.088 -2.529 184 HE3 TRP 27 HE3 TRP 27 -5.635 -0.418 0.293 185 HZ2 TRP 27 HZ2 TRP 27 -6.025 1.787 -4.160 186 HZ3 TRP 27 HZ3 TRP 27 -5.602 -1.733 -1.788 187 HH2 TRP 27 HH2 TRP 27 -5.794 -0.650 -3.967 188 H SER 28 H SER 28 -7.356 3.502 4.525 189 HA SER 28 HA SER 28 -9.336 5.390 3.558 190 HB2 SER 28 HB2 SER 28 -7.991 5.150 6.262 191 HB3 SER 28 HB1 SER 28 -9.368 6.185 5.883 192 HG SER 28 HG SER 28 -9.278 3.481 6.378 193 H ARG 29 H ARG 29 -9.017 7.610 3.413 194 HA ARG 29 HA ARG 29 -6.301 8.401 2.787 195 HB2 ARG 29 HB2 ARG 29 -8.999 9.686 2.423 196 HB3 ARG 29 HB1 ARG 29 -7.507 10.564 2.113 197 HG2 ARG 29 HG2 ARG 29 -8.133 7.939 0.796 198 HG3 ARG 29 HG1 ARG 29 -8.630 9.492 0.118 199 HD2 ARG 29 HD2 ARG 29 -5.787 8.755 0.806 200 HD3 ARG 29 HD1 ARG 29 -6.485 8.636 -0.809 201 HE ARG 29 HE ARG 29 -6.978 11.174 -0.291 202 HH11 ARG 29 HH11 ARG 29 -4.058 9.352 0.346 203 HH12 ARG 29 HH12 ARG 29 -3.009 10.720 0.158 204 HH21 ARG 29 HH21 ARG 29 -5.608 12.969 -0.537 205 HH22 ARG 29 HH22 ARG 29 -3.883 12.781 -0.347 206 HA PRO 30 HA PRO 30 -5.536 10.630 6.540 207 HB2 PRO 30 HB2 PRO 30 -3.901 12.600 5.623 208 HB3 PRO 30 HB1 PRO 30 -3.376 10.926 5.827 209 HG2 PRO 30 HG2 PRO 30 -4.228 12.355 3.341 210 HG3 PRO 30 HG1 PRO 30 -2.889 11.217 3.577 211 HD2 PRO 30 HD2 PRO 30 -5.248 10.492 2.461 212 HD3 PRO 30 HD1 PRO 30 -4.261 9.379 3.418 213 H1 MET 31 HT1 MET 31 1.628 20.825 -16.360 214 H2 MET 31 HT2 MET 31 0.091 21.412 -16.734 215 H3 MET 31 HT3 MET 31 0.674 21.527 -15.153 216 HA MET 31 HA MET 31 2.445 23.003 -15.921 217 HB2 MET 31 HB2 MET 31 2.416 22.170 -18.268 218 HB3 MET 31 HB1 MET 31 0.875 22.980 -18.506 219 HG2 MET 31 HG2 MET 31 1.955 25.135 -18.033 220 HG3 MET 31 HG1 MET 31 3.499 24.303 -17.860 221 HE1 MET 31 HE1 MET 31 4.645 25.847 -19.622 222 HE2 MET 31 HE2 MET 31 3.147 26.756 -19.822 223 HE3 MET 31 HE3 MET 31 4.010 26.156 -21.238 224 H ARG 32 H ARG 32 -1.006 22.805 -16.214 225 HA ARG 32 HA ARG 32 -1.393 25.666 -15.978 226 HB2 ARG 32 HB2 ARG 32 -2.903 24.156 -17.316 227 HB3 ARG 32 HB1 ARG 32 -3.448 23.455 -15.800 228 HG2 ARG 32 HG2 ARG 32 -4.175 25.753 -15.110 229 HG3 ARG 32 HG1 ARG 32 -3.823 26.281 -16.757 230 HD2 ARG 32 HD2 ARG 32 -6.183 25.767 -16.520 231 HD3 ARG 32 HD1 ARG 32 -5.411 24.619 -17.616 232 HE ARG 32 HE ARG 32 -5.476 23.684 -14.912 233 HH11 ARG 32 HH11 ARG 32 -7.378 23.972 -17.832 234 HH12 ARG 32 HH12 ARG 32 -8.388 22.609 -17.458 235 HH21 ARG 32 HH21 ARG 32 -6.789 21.903 -14.414 236 HH22 ARG 32 HH22 ARG 32 -8.052 21.436 -15.508 237 H GLY 33 H GLY 33 0.032 25.389 -13.924 238 HA2 GLY 33 HA2 GLY 33 -1.804 25.039 -11.632 239 HA3 GLY 33 HA1 GLY 33 -0.136 24.486 -11.582 240 H SER 34 H SER 34 -1.014 27.457 -13.160 241 HA SER 34 HA SER 34 0.703 28.936 -11.377 242 HB2 SER 34 HB2 SER 34 0.588 29.346 -13.864 243 HB3 SER 34 HB1 SER 34 -1.027 30.008 -13.621 244 HG SER 34 HG SER 34 1.005 31.039 -12.020 245 H ASN 35 H ASN 35 -2.699 29.289 -12.409 246 HA ASN 35 HA ASN 35 -3.248 30.549 -9.820 247 HB2 ASN 35 HB2 ASN 35 -5.401 31.278 -10.840 248 HB3 ASN 35 HB1 ASN 35 -3.987 31.912 -11.671 249 HD21 ASN 35 HD21 ASN 35 -3.528 31.223 -13.747 250 HD22 ASN 35 HD22 ASN 35 -4.675 30.351 -14.709 251 H ALA 36 H ALA 36 -4.208 29.448 -8.300 252 HA ALA 36 HA ALA 36 -5.229 27.779 -7.155 253 HB1 ALA 36 HB1 ALA 36 -7.398 27.038 -7.988 254 HB2 ALA 36 HB2 ALA 36 -7.028 27.717 -9.573 255 HB3 ALA 36 HB3 ALA 36 -7.203 28.781 -8.178 256 HA PRO 37 HA PRO 37 -3.047 24.412 -9.521 257 HB2 PRO 37 HB2 PRO 37 -1.648 24.016 -6.978 258 HB3 PRO 37 HB1 PRO 37 -0.979 24.299 -8.586 259 HG2 PRO 37 HG2 PRO 37 -0.852 26.151 -6.625 260 HG3 PRO 37 HG1 PRO 37 -1.003 26.588 -8.336 261 HD2 PRO 37 HD2 PRO 37 -3.111 26.502 -6.209 262 HD3 PRO 37 HD1 PRO 37 -2.846 27.709 -7.486 263 H GLN 38 H GLN 38 -3.108 22.117 -9.060 264 HA GLN 38 HA GLN 38 -5.395 21.389 -7.464 265 HB2 GLN 38 HB2 GLN 38 -4.884 19.062 -8.315 266 HB3 GLN 38 HB1 GLN 38 -5.256 20.259 -9.544 267 HG2 GLN 38 HG2 GLN 38 -2.932 20.462 -10.123 268 HG3 GLN 38 HG1 GLN 38 -2.470 19.405 -8.789 269 HE21 GLN 38 HE21 GLN 38 -1.447 17.982 -10.191 270 HE22 GLN 38 HE22 GLN 38 -2.329 16.912 -11.223 271 HA PRO 39 HA PRO 39 -2.882 20.752 -3.860 272 HB2 PRO 39 HB2 PRO 39 -4.860 19.781 -2.265 273 HB3 PRO 39 HB1 PRO 39 -4.663 21.497 -2.631 274 HG2 PRO 39 HG2 PRO 39 -6.532 19.504 -3.842 275 HG3 PRO 39 HG1 PRO 39 -6.838 21.186 -3.374 276 HD2 PRO 39 HD2 PRO 39 -6.394 20.448 -5.939 277 HD3 PRO 39 HD1 PRO 39 -5.897 22.027 -5.300 278 H SER 40 H SER 40 -2.936 18.861 -2.081 279 HA SER 40 HA SER 40 -1.612 16.748 -3.223 280 HB2 SER 40 HB2 SER 40 -3.073 16.805 -0.578 281 HB3 SER 40 HB1 SER 40 -1.840 15.629 -1.035 282 HG SER 40 HG SER 40 -0.973 17.362 0.188 283 H HIS 41 H HIS 41 -2.240 15.240 -4.517 284 HA HIS 41 HA HIS 41 -4.566 13.603 -3.872 285 HB2 HIS 41 HB2 HIS 41 -4.087 14.937 -6.540 286 HB3 HIS 41 HB1 HIS 41 -5.073 13.491 -6.380 287 HD1 HIS 41 HD1 HIS 41 -5.073 17.158 -5.708 288 HD2 HIS 41 HD2 HIS 41 -7.581 13.884 -5.171 289 HE1 HIS 41 HE1 HIS 41 -7.332 18.117 -5.153 290 HE2 HIS 41 HE2 HIS 41 -8.859 16.122 -4.963 291 H ILE 42 H ILE 42 -4.456 11.498 -4.999 292 HA ILE 42 HA ILE 42 -1.663 10.758 -5.520 293 HB ILE 42 HB ILE 42 -3.959 9.248 -4.342 294 HG12 ILE 42 HG12 ILE 42 -2.202 8.473 -2.789 295 HG13 ILE 42 HG11 ILE 42 -1.002 9.369 -3.711 296 HG21 ILE 42 HG21 ILE 42 -2.816 7.114 -4.707 297 HG22 ILE 42 HG22 ILE 42 -1.620 7.931 -5.715 298 HG23 ILE 42 HG23 ILE 42 -3.305 7.859 -6.229 299 HD11 ILE 42 HD11 ILE 42 -2.112 11.455 -3.122 300 HD12 ILE 42 HD12 ILE 42 -1.630 10.545 -1.690 301 HD13 ILE 42 HD13 ILE 42 -3.317 10.554 -2.204 302 H SER 43 H SER 43 -1.062 10.021 -7.407 303 HA SER 43 HA SER 43 -2.875 10.161 -9.625 304 HB2 SER 43 HB2 SER 43 0.046 9.384 -9.452 305 HB3 SER 43 HB1 SER 43 -0.838 9.678 -10.953 306 HG SER 43 HG SER 43 -1.289 11.828 -9.968 307 H LYS 44 H LYS 44 -1.074 7.614 -7.936 308 HA LYS 44 HA LYS 44 -2.992 5.643 -8.759 309 HB2 LYS 44 HB2 LYS 44 -1.348 4.144 -9.853 310 HB3 LYS 44 HB1 LYS 44 -1.617 5.628 -10.755 311 HG2 LYS 44 HG2 LYS 44 0.469 6.545 -9.832 312 HG3 LYS 44 HG1 LYS 44 0.740 5.023 -8.979 313 HD2 LYS 44 HD2 LYS 44 0.845 3.835 -11.104 314 HD3 LYS 44 HD1 LYS 44 0.519 5.336 -11.973 315 HE2 LYS 44 HE2 LYS 44 2.589 6.293 -11.162 316 HE3 LYS 44 HE1 LYS 44 2.900 4.860 -10.187 317 HZ1 LYS 44 HZ1 LYS 44 2.750 4.912 -13.151 318 HZ2 LYS 44 HZ2 LYS 44 3.095 3.560 -12.198 319 HZ3 LYS 44 HZ3 LYS 44 4.174 4.857 -12.242 320 H TYR 45 H TYR 45 -2.980 3.848 -7.453 321 HA TYR 45 HA TYR 45 -1.065 3.875 -5.216 322 HB2 TYR 45 HB2 TYR 45 -3.754 2.507 -5.482 323 HB3 TYR 45 HB1 TYR 45 -2.705 2.392 -4.078 324 HD1 TYR 45 HD1 TYR 45 -2.194 4.567 -2.813 325 HD2 TYR 45 HD2 TYR 45 -5.343 4.203 -5.647 326 HE1 TYR 45 HE1 TYR 45 -3.312 6.514 -1.811 327 HE2 TYR 45 HE2 TYR 45 -6.469 6.152 -4.656 328 HH TYR 45 HH TYR 45 -6.542 7.424 -2.651 329 H ILE 46 H ILE 46 0.447 2.301 -5.134 330 HA ILE 46 HA ILE 46 0.028 -0.043 -6.867 331 HB ILE 46 HB ILE 46 2.587 1.226 -5.900 332 HG12 ILE 46 HG12 ILE 46 3.119 1.067 -8.375 333 HG13 ILE 46 HG11 ILE 46 1.445 0.588 -8.625 334 HG21 ILE 46 HG21 ILE 46 2.766 -1.193 -5.555 335 HG22 ILE 46 HG22 ILE 46 3.824 -0.638 -6.854 336 HG23 ILE 46 HG23 ILE 46 2.313 -1.461 -7.239 337 HD11 ILE 46 HD11 ILE 46 0.710 2.728 -7.695 338 HD12 ILE 46 HD12 ILE 46 1.753 2.935 -9.102 339 HD13 ILE 46 HD13 ILE 46 2.395 3.201 -7.482 340 H LEU 47 H LEU 47 -0.560 -1.803 -5.898 341 HA LEU 47 HA LEU 47 -0.087 -2.145 -3.028 342 HB2 LEU 47 HB2 LEU 47 -2.364 -2.435 -4.339 343 HB3 LEU 47 HB1 LEU 47 -1.706 -4.000 -4.750 344 HG LEU 47 HG LEU 47 -3.230 -4.224 -2.904 345 HD11 LEU 47 HD11 LEU 47 -1.377 -5.734 -2.822 346 HD12 LEU 47 HD12 LEU 47 -1.768 -5.219 -1.181 347 HD13 LEU 47 HD13 LEU 47 -0.372 -4.532 -2.012 348 HD21 LEU 47 HD21 LEU 47 -3.137 -1.959 -2.046 349 HD22 LEU 47 HD22 LEU 47 -1.504 -2.236 -1.440 350 HD23 LEU 47 HD23 LEU 47 -2.864 -3.131 -0.758 351 H ARG 48 H ARG 48 1.711 -3.221 -2.508 352 HA ARG 48 HA ARG 48 2.528 -5.457 -4.246 353 HB2 ARG 48 HB2 ARG 48 4.172 -3.556 -2.598 354 HB3 ARG 48 HB1 ARG 48 4.804 -5.124 -3.077 355 HG2 ARG 48 HG2 ARG 48 4.406 -4.512 -5.432 356 HG3 ARG 48 HG1 ARG 48 3.889 -2.911 -4.895 357 HD2 ARG 48 HD2 ARG 48 6.076 -2.525 -3.901 358 HD3 ARG 48 HD1 ARG 48 6.593 -4.142 -4.380 359 HE ARG 48 HE ARG 48 5.709 -2.735 -6.642 360 HH11 ARG 48 HH11 ARG 48 8.350 -2.725 -4.353 361 HH12 ARG 48 HH12 ARG 48 9.509 -2.128 -5.495 362 HH21 ARG 48 HH21 ARG 48 7.211 -1.969 -8.157 363 HH22 ARG 48 HH22 ARG 48 8.855 -1.672 -7.667 364 H TRP 49 H TRP 49 2.786 -7.445 -3.368 365 HA TRP 49 HA TRP 49 2.795 -7.700 -0.466 366 HB2 TRP 49 HB2 TRP 49 1.044 -9.389 -0.451 367 HB3 TRP 49 HB1 TRP 49 0.428 -7.877 -1.104 368 HD1 TRP 49 HD1 TRP 49 0.849 -11.515 -1.926 369 HE1 TRP 49 HE1 TRP 49 -0.151 -12.000 -4.247 370 HE3 TRP 49 HE3 TRP 49 0.141 -6.715 -3.531 371 HZ2 TRP 49 HZ2 TRP 49 -1.104 -10.546 -6.463 372 HZ3 TRP 49 HZ3 TRP 49 -0.826 -6.349 -5.759 373 HH2 TRP 49 HH2 TRP 49 -1.435 -8.223 -7.197 374 H ARG 50 H ARG 50 3.740 -9.553 0.317 375 HA ARG 50 HA ARG 50 4.997 -11.364 -1.624 376 HB2 ARG 50 HB2 ARG 50 6.488 -9.384 -0.958 377 HB3 ARG 50 HB1 ARG 50 6.526 -10.088 0.646 378 HG2 ARG 50 HG2 ARG 50 7.397 -11.617 -1.783 379 HG3 ARG 50 HG1 ARG 50 8.488 -10.551 -0.902 380 HD2 ARG 50 HD2 ARG 50 7.057 -12.973 0.177 381 HD3 ARG 50 HD1 ARG 50 8.781 -12.827 -0.154 382 HE ARG 50 HE ARG 50 7.672 -10.954 1.774 383 HH11 ARG 50 HH11 ARG 50 9.374 -13.960 1.226 384 HH12 ARG 50 HH12 ARG 50 10.020 -14.034 2.831 385 HH21 ARG 50 HH21 ARG 50 8.491 -11.055 3.898 386 HH22 ARG 50 HH22 ARG 50 9.534 -12.379 4.344 387 HA PRO 51 HA PRO 51 3.571 -14.280 1.476 388 HB2 PRO 51 HB2 PRO 51 4.968 -16.442 0.538 389 HB3 PRO 51 HB1 PRO 51 3.438 -15.889 -0.147 390 HG2 PRO 51 HG2 PRO 51 6.230 -15.391 -1.099 391 HG3 PRO 51 HG1 PRO 51 4.775 -15.770 -2.039 392 HD2 PRO 51 HD2 PRO 51 5.735 -13.260 -1.843 393 HD3 PRO 51 HD1 PRO 51 3.995 -13.594 -1.946 394 H LYS 52 H LYS 52 4.352 -14.154 3.437 395 HA LYS 52 HA LYS 52 6.975 -13.368 4.078 396 HB2 LYS 52 HB2 LYS 52 4.598 -13.294 5.325 397 HB3 LYS 52 HB1 LYS 52 5.277 -14.698 6.125 398 HG2 LYS 52 HG2 LYS 52 6.662 -12.034 6.009 399 HG3 LYS 52 HG1 LYS 52 5.569 -12.513 7.308 400 HD2 LYS 52 HD2 LYS 52 7.035 -14.469 7.744 401 HD3 LYS 52 HD1 LYS 52 8.153 -13.854 6.526 402 HE2 LYS 52 HE2 LYS 52 7.312 -12.399 9.032 403 HE3 LYS 52 HE1 LYS 52 8.837 -13.251 8.809 404 HZ1 LYS 52 HZ1 LYS 52 9.110 -10.890 8.470 405 HZ2 LYS 52 HZ2 LYS 52 7.924 -10.878 7.265 406 HZ3 LYS 52 HZ3 LYS 52 9.379 -11.710 7.018 407 H ASN 53 H ASN 53 5.380 -16.504 4.095 408 HA ASN 53 HA ASN 53 7.681 -17.770 5.344 409 HB2 ASN 53 HB2 ASN 53 6.245 -19.816 5.312 410 HB3 ASN 53 HB1 ASN 53 5.546 -18.462 6.193 411 HD21 ASN 53 HD21 ASN 53 5.389 -20.377 3.290 412 HD22 ASN 53 HD22 ASN 53 3.793 -19.903 2.826 413 H SER 54 H SER 54 7.149 -16.845 2.316 414 HA SER 54 HA SER 54 8.469 -19.224 1.205 415 HB2 SER 54 HB2 SER 54 6.470 -17.479 -0.250 416 HB3 SER 54 HB1 SER 54 7.266 -18.915 -0.890 417 HG SER 54 HG SER 54 6.240 -19.985 1.034 418 H VAL 55 H VAL 55 9.936 -18.839 -0.530 419 HA VAL 55 HA VAL 55 11.382 -16.355 -0.247 420 HB VAL 55 HB VAL 55 12.986 -17.390 -1.858 421 HG11 VAL 55 HG11 VAL 55 13.776 -19.129 -0.333 422 HG12 VAL 55 HG12 VAL 55 12.215 -19.127 0.487 423 HG13 VAL 55 HG13 VAL 55 13.249 -17.699 0.554 424 HG21 VAL 55 HG21 VAL 55 12.692 -19.714 -2.514 425 HG22 VAL 55 HG22 VAL 55 11.347 -18.736 -3.105 426 HG23 VAL 55 HG23 VAL 55 11.133 -19.767 -1.692 427 H GLY 56 H GLY 56 8.783 -16.090 -1.409 428 HA2 GLY 56 HA2 GLY 56 9.089 -15.791 -4.264 429 HA3 GLY 56 HA1 GLY 56 7.658 -15.408 -3.322 430 H ARG 57 H ARG 57 7.959 -13.622 -5.077 431 HA ARG 57 HA ARG 57 9.649 -11.459 -4.012 432 HB2 ARG 57 HB2 ARG 57 8.494 -11.871 -6.774 433 HB3 ARG 57 HB1 ARG 57 9.311 -10.404 -6.270 434 HG2 ARG 57 HG2 ARG 57 10.923 -11.604 -7.440 435 HG3 ARG 57 HG1 ARG 57 11.307 -11.899 -5.745 436 HD2 ARG 57 HD2 ARG 57 10.191 -14.057 -5.852 437 HD3 ARG 57 HD1 ARG 57 9.736 -13.755 -7.528 438 HE ARG 57 HE ARG 57 12.556 -13.575 -7.132 439 HH11 ARG 57 HH11 ARG 57 9.921 -15.843 -7.539 440 HH12 ARG 57 HH12 ARG 57 10.921 -17.076 -8.241 441 HH21 ARG 57 HH21 ARG 57 13.881 -15.205 -8.039 442 HH22 ARG 57 HH22 ARG 57 13.175 -16.716 -8.511 443 H TRP 58 H TRP 58 8.609 -9.227 -4.731 444 HA TRP 58 HA TRP 58 5.992 -9.158 -3.451 445 HB2 TRP 58 HB2 TRP 58 7.828 -6.920 -4.349 446 HB3 TRP 58 HB1 TRP 58 6.315 -6.695 -3.479 447 HD1 TRP 58 HD1 TRP 58 9.795 -8.308 -2.936 448 HE1 TRP 58 HE1 TRP 58 10.344 -8.191 -0.426 449 HE3 TRP 58 HE3 TRP 58 5.385 -6.358 -1.237 450 HZ2 TRP 58 HZ2 TRP 58 9.073 -7.379 1.960 451 HZ3 TRP 58 HZ3 TRP 58 5.132 -5.944 1.174 452 HH2 TRP 58 HH2 TRP 58 6.939 -6.445 2.739 453 H LYS 59 H LYS 59 4.247 -9.359 -4.695 454 HA LYS 59 HA LYS 59 4.381 -8.891 -7.539 455 HB2 LYS 59 HB2 LYS 59 1.940 -9.491 -5.861 456 HB3 LYS 59 HB1 LYS 59 2.094 -9.669 -7.603 457 HG2 LYS 59 HG2 LYS 59 3.853 -11.395 -7.190 458 HG3 LYS 59 HG1 LYS 59 3.456 -11.297 -5.474 459 HD2 LYS 59 HD2 LYS 59 1.099 -11.859 -6.059 460 HD3 LYS 59 HD1 LYS 59 1.625 -12.118 -7.723 461 HE2 LYS 59 HE2 LYS 59 3.253 -13.808 -6.846 462 HE3 LYS 59 HE1 LYS 59 2.485 -13.632 -5.269 463 HZ1 LYS 59 HZ1 LYS 59 1.149 -14.525 -7.759 464 HZ2 LYS 59 HZ2 LYS 59 0.391 -14.334 -6.262 465 HZ3 LYS 59 HZ3 LYS 59 1.584 -15.515 -6.461 466 H GLU 60 H GLU 60 2.881 -7.425 -8.670 467 HA GLU 60 HA GLU 60 2.416 -5.001 -7.065 468 HB2 GLU 60 HB2 GLU 60 3.465 -5.155 -9.891 469 HB3 GLU 60 HB1 GLU 60 3.063 -3.671 -9.040 470 HG2 GLU 60 HG2 GLU 60 4.791 -4.210 -7.364 471 HG3 GLU 60 HG1 GLU 60 5.232 -5.626 -8.317 472 H ALA 61 H ALA 61 0.409 -4.309 -7.088 473 HA ALA 61 HA ALA 61 -1.180 -4.673 -9.546 474 HB1 ALA 61 HB1 ALA 61 -2.105 -5.986 -7.693 475 HB2 ALA 61 HB2 ALA 61 -3.193 -4.682 -8.164 476 HB3 ALA 61 HB3 ALA 61 -2.209 -4.524 -6.711 477 H THR 62 H THR 62 -1.821 -2.822 -10.501 478 HA THR 62 HA THR 62 -1.232 -0.325 -9.074 479 HB THR 62 HB THR 62 -1.709 -0.696 -12.037 480 HG1 THR 62 HG1 THR 62 0.178 -1.822 -11.253 481 HG21 THR 62 HG21 THR 62 -0.632 1.491 -12.229 482 HG22 THR 62 HG22 THR 62 -0.454 1.569 -10.476 483 HG23 THR 62 HG23 THR 62 -2.062 1.590 -11.201 484 H ILE 63 H ILE 63 -2.881 0.706 -8.204 485 HA ILE 63 HA ILE 63 -5.567 0.374 -9.379 486 HB ILE 63 HB ILE 63 -4.842 1.182 -6.550 487 HG12 ILE 63 HG12 ILE 63 -6.131 -1.079 -6.133 488 HG13 ILE 63 HG11 ILE 63 -5.598 -1.445 -7.768 489 HG21 ILE 63 HG21 ILE 63 -6.928 2.188 -7.302 490 HG22 ILE 63 HG22 ILE 63 -7.229 0.955 -6.076 491 HG23 ILE 63 HG23 ILE 63 -7.532 0.600 -7.776 492 HD11 ILE 63 HD11 ILE 63 -3.818 -0.754 -5.441 493 HD12 ILE 63 HD12 ILE 63 -3.278 -1.113 -7.082 494 HD13 ILE 63 HD13 ILE 63 -4.074 -2.361 -6.122 495 HA PRO 64 HA PRO 64 -5.393 4.722 -10.597 496 HB2 PRO 64 HB2 PRO 64 -8.333 4.322 -10.280 497 HB3 PRO 64 HB1 PRO 64 -7.438 5.059 -11.614 498 HG2 PRO 64 HG2 PRO 64 -8.438 2.598 -11.839 499 HG3 PRO 64 HG1 PRO 64 -6.860 3.010 -12.532 500 HD2 PRO 64 HD2 PRO 64 -7.499 1.432 -10.092 501 HD3 PRO 64 HD1 PRO 64 -6.151 1.259 -11.231 502 H GLY 65 H GLY 65 -5.554 6.637 -9.462 503 HA2 GLY 65 HA2 GLY 65 -5.651 6.302 -6.612 504 HA3 GLY 65 HA1 GLY 65 -5.254 7.775 -7.476 505 H HIS 66 H HIS 66 -8.188 5.766 -7.395 506 HA HIS 66 HA HIS 66 -9.670 7.622 -5.835 507 HB2 HIS 66 HB2 HIS 66 -11.339 8.166 -7.700 508 HB3 HIS 66 HB1 HIS 66 -9.815 9.042 -7.703 509 HD1 HIS 66 HD1 HIS 66 -8.624 9.101 -9.865 510 HD2 HIS 66 HD2 HIS 66 -11.284 5.910 -9.645 511 HE1 HIS 66 HE1 HIS 66 -8.567 8.014 -12.130 512 HE2 HIS 66 HE2 HIS 66 -10.117 6.036 -11.952 513 H LEU 67 H LEU 67 -9.069 4.730 -6.199 514 HA LEU 67 HA LEU 67 -11.855 3.771 -6.271 515 HB2 LEU 67 HB2 LEU 67 -9.325 2.194 -6.764 516 HB3 LEU 67 HB1 LEU 67 -10.943 1.525 -6.739 517 HG LEU 67 HG LEU 67 -9.810 3.452 -8.762 518 HD11 LEU 67 HD11 LEU 67 -10.161 1.657 -10.331 519 HD12 LEU 67 HD12 LEU 67 -10.846 0.644 -9.062 520 HD13 LEU 67 HD13 LEU 67 -9.145 1.100 -9.003 521 HD21 LEU 67 HD21 LEU 67 -11.984 3.261 -9.893 522 HD22 LEU 67 HD22 LEU 67 -12.108 4.062 -8.329 523 HD23 LEU 67 HD23 LEU 67 -12.615 2.382 -8.501 524 H ASN 68 H ASN 68 -8.714 3.301 -4.751 525 HA ASN 68 HA ASN 68 -8.065 3.107 -2.601 526 HB2 ASN 68 HB2 ASN 68 -10.862 4.121 -2.099 527 HB3 ASN 68 HB1 ASN 68 -9.661 3.905 -0.829 528 HD21 ASN 68 HD21 ASN 68 -9.722 6.123 -0.376 529 HD22 ASN 68 HD22 ASN 68 -8.953 7.279 -1.408 530 H SER 69 H SER 69 -9.470 0.900 -4.028 531 HA SER 69 HA SER 69 -9.560 -0.949 -1.844 532 HB2 SER 69 HB2 SER 69 -11.918 -1.725 -2.565 533 HB3 SER 69 HB1 SER 69 -11.807 -0.273 -1.570 534 HG SER 69 HG SER 69 -11.823 0.901 -3.637 535 H TYR 70 H TYR 70 -8.952 -2.939 -2.547 536 HA TYR 70 HA TYR 70 -9.243 -3.582 -5.381 537 HB2 TYR 70 HB2 TYR 70 -7.034 -2.516 -5.185 538 HB3 TYR 70 HB1 TYR 70 -6.580 -3.667 -3.934 539 HD1 TYR 70 HD1 TYR 70 -7.645 -3.482 -7.502 540 HD2 TYR 70 HD2 TYR 70 -5.551 -5.665 -4.517 541 HE1 TYR 70 HE1 TYR 70 -6.808 -5.022 -9.227 542 HE2 TYR 70 HE2 TYR 70 -4.708 -7.212 -6.231 543 HH TYR 70 HH TYR 70 -4.859 -6.583 -9.525 544 H THR 71 H THR 71 -9.570 -5.711 -5.766 545 HA THR 71 HA THR 71 -9.577 -7.512 -3.466 546 HB THR 71 HB THR 71 -10.661 -7.933 -6.262 547 HG1 THR 71 HG1 THR 71 -12.289 -7.749 -3.982 548 HG21 THR 71 HG21 THR 71 -11.783 -9.893 -5.312 549 HG22 THR 71 HG22 THR 71 -10.995 -9.598 -3.763 550 HG23 THR 71 HG23 THR 71 -10.031 -10.040 -5.172 551 H ILE 72 H ILE 72 -7.583 -8.306 -3.119 552 HA ILE 72 HA ILE 72 -5.791 -8.947 -5.294 553 HB ILE 72 HB ILE 72 -5.457 -9.727 -2.396 554 HG12 ILE 72 HG12 ILE 72 -4.500 -7.195 -3.751 555 HG13 ILE 72 HG11 ILE 72 -5.811 -7.281 -2.577 556 HG21 ILE 72 HG21 ILE 72 -3.992 -10.871 -3.960 557 HG22 ILE 72 HG22 ILE 72 -3.071 -9.742 -2.966 558 HG23 ILE 72 HG23 ILE 72 -3.473 -9.325 -4.631 559 HD11 ILE 72 HD11 ILE 72 -2.884 -7.759 -2.136 560 HD12 ILE 72 HD12 ILE 72 -4.112 -8.255 -0.975 561 HD13 ILE 72 HD13 ILE 72 -3.925 -6.544 -1.383 562 H LYS 73 H LYS 73 -5.854 -10.805 -6.384 563 HA LYS 73 HA LYS 73 -7.131 -13.116 -5.091 564 HB2 LYS 73 HB2 LYS 73 -6.773 -12.504 -8.029 565 HB3 LYS 73 HB1 LYS 73 -7.467 -13.989 -7.395 566 HG2 LYS 73 HG2 LYS 73 -9.243 -12.635 -6.313 567 HG3 LYS 73 HG1 LYS 73 -8.580 -11.208 -7.111 568 HD2 LYS 73 HD2 LYS 73 -8.976 -12.249 -9.291 569 HD3 LYS 73 HD1 LYS 73 -9.645 -13.672 -8.489 570 HE2 LYS 73 HE2 LYS 73 -11.389 -12.243 -7.486 571 HE3 LYS 73 HE1 LYS 73 -10.742 -10.865 -8.374 572 HZ1 LYS 73 HZ1 LYS 73 -11.218 -12.065 -10.445 573 HZ2 LYS 73 HZ2 LYS 73 -12.615 -11.786 -9.536 574 HZ3 LYS 73 HZ3 LYS 73 -11.915 -13.324 -9.553 575 H GLY 74 H GLY 74 -6.223 -15.239 -5.628 576 HA2 GLY 74 HA2 GLY 74 -4.451 -16.689 -6.027 577 HA3 GLY 74 HA1 GLY 74 -3.474 -15.316 -6.532 578 H LEU 75 H LEU 75 -5.139 -15.072 -3.533 579 HA LEU 75 HA LEU 75 -2.605 -15.187 -2.098 580 HB2 LEU 75 HB2 LEU 75 -5.386 -14.381 -1.242 581 HB3 LEU 75 HB1 LEU 75 -4.007 -14.411 -0.162 582 HG LEU 75 HG LEU 75 -4.277 -12.642 -2.603 583 HD11 LEU 75 HD11 LEU 75 -4.524 -12.080 0.338 584 HD12 LEU 75 HD12 LEU 75 -5.778 -11.928 -0.892 585 HD13 LEU 75 HD13 LEU 75 -4.389 -10.843 -0.910 586 HD21 LEU 75 HD21 LEU 75 -1.956 -13.215 -2.194 587 HD22 LEU 75 HD22 LEU 75 -2.133 -12.800 -0.489 588 HD23 LEU 75 HD23 LEU 75 -2.261 -11.543 -1.719 589 H LYS 76 H LYS 76 -1.972 -16.937 -1.021 590 HA LYS 76 HA LYS 76 -3.712 -19.253 -1.067 591 HB2 LYS 76 HB2 LYS 76 -0.838 -18.946 -0.192 592 HB3 LYS 76 HB1 LYS 76 -1.694 -20.474 -0.345 593 HG2 LYS 76 HG2 LYS 76 -1.924 -20.157 -2.725 594 HG3 LYS 76 HG1 LYS 76 -1.197 -18.553 -2.610 595 HD2 LYS 76 HD2 LYS 76 0.412 -20.216 -3.412 596 HD3 LYS 76 HD1 LYS 76 0.899 -19.545 -1.855 597 HE2 LYS 76 HE2 LYS 76 0.041 -21.512 -0.715 598 HE3 LYS 76 HE1 LYS 76 -0.524 -22.174 -2.248 599 HZ1 LYS 76 HZ1 LYS 76 1.762 -22.282 -3.003 600 HZ2 LYS 76 HZ2 LYS 76 1.575 -23.157 -1.568 601 HZ3 LYS 76 HZ3 LYS 76 2.308 -21.636 -1.540 602 HA PRO 77 HA PRO 77 -5.015 -18.764 3.162 603 HB2 PRO 77 HB2 PRO 77 -6.049 -21.271 3.476 604 HB3 PRO 77 HB1 PRO 77 -6.891 -19.968 2.632 605 HG2 PRO 77 HG2 PRO 77 -5.308 -22.243 1.507 606 HG3 PRO 77 HG1 PRO 77 -6.844 -21.559 0.943 607 HD2 PRO 77 HD2 PRO 77 -4.484 -20.981 -0.237 608 HD3 PRO 77 HD1 PRO 77 -5.811 -19.807 -0.142 609 H GLY 78 H GLY 78 -3.906 -18.985 4.994 610 HA2 GLY 78 HA2 GLY 78 -2.678 -20.134 6.646 611 HA3 GLY 78 HA1 GLY 78 -2.293 -21.378 5.465 612 H VAL 79 H VAL 79 -1.715 -18.879 3.662 613 HA VAL 79 HA VAL 79 1.109 -18.758 4.395 614 HB VAL 79 HB VAL 79 -0.317 -17.824 1.892 615 HG11 VAL 79 HG11 VAL 79 2.630 -17.901 2.526 616 HG12 VAL 79 HG12 VAL 79 1.647 -16.453 2.294 617 HG13 VAL 79 HG13 VAL 79 1.932 -17.554 0.944 618 HG21 VAL 79 HG21 VAL 79 1.456 -20.195 2.428 619 HG22 VAL 79 HG22 VAL 79 0.909 -19.689 0.831 620 HG23 VAL 79 HG23 VAL 79 -0.264 -20.228 2.036 621 H VAL 80 H VAL 80 1.985 -17.039 5.310 622 HA VAL 80 HA VAL 80 0.356 -14.741 5.935 623 HB VAL 80 HB VAL 80 3.293 -15.222 6.489 624 HG11 VAL 80 HG11 VAL 80 2.681 -12.860 6.590 625 HG12 VAL 80 HG12 VAL 80 3.064 -13.492 8.190 626 HG13 VAL 80 HG13 VAL 80 1.382 -13.240 7.720 627 HG21 VAL 80 HG21 VAL 80 0.885 -15.709 8.237 628 HG22 VAL 80 HG22 VAL 80 2.566 -15.842 8.752 629 HG23 VAL 80 HG23 VAL 80 1.930 -16.939 7.527 630 H TYR 81 H TYR 81 0.379 -12.807 4.891 631 HA TYR 81 HA TYR 81 2.430 -12.437 2.815 632 HB2 TYR 81 HB2 TYR 81 -0.495 -11.716 2.781 633 HB3 TYR 81 HB1 TYR 81 0.662 -11.002 1.666 634 HD1 TYR 81 HD1 TYR 81 1.764 -12.400 -0.035 635 HD2 TYR 81 HD2 TYR 81 -1.276 -13.967 2.495 636 HE1 TYR 81 HE1 TYR 81 1.471 -14.295 -1.572 637 HE2 TYR 81 HE2 TYR 81 -1.576 -15.871 0.966 638 HH TYR 81 HH TYR 81 0.626 -16.559 -1.565 639 H GLU 82 H GLU 82 3.528 -10.593 2.783 640 HA GLU 82 HA GLU 82 2.812 -8.502 4.723 641 HB2 GLU 82 HB2 GLU 82 5.394 -8.833 3.173 642 HB3 GLU 82 HB1 GLU 82 5.098 -7.722 4.503 643 HG2 GLU 82 HG2 GLU 82 4.839 -9.603 6.027 644 HG3 GLU 82 HG1 GLU 82 5.116 -10.725 4.697 645 H GLY 83 H GLY 83 1.981 -6.626 3.966 646 HA2 GLY 83 HA2 GLY 83 2.108 -6.240 1.040 647 HA3 GLY 83 HA1 GLY 83 0.659 -5.921 1.986 648 H GLN 84 H GLN 84 1.976 -4.159 0.239 649 HA GLN 84 HA GLN 84 2.518 -1.966 2.090 650 HB2 GLN 84 HB2 GLN 84 4.291 -2.776 -0.213 651 HB3 GLN 84 HB1 GLN 84 4.416 -1.236 0.624 652 HG2 GLN 84 HG2 GLN 84 4.921 -2.401 2.706 653 HG3 GLN 84 HG1 GLN 84 4.779 -3.947 1.883 654 HE21 GLN 84 HE21 GLN 84 6.116 -3.237 -0.502 655 HE22 GLN 84 HE22 GLN 84 7.786 -3.006 -0.129 656 H LEU 85 H LEU 85 1.202 -0.369 1.589 657 HA LEU 85 HA LEU 85 0.145 -0.154 -1.131 658 HB2 LEU 85 HB2 LEU 85 -1.373 -0.102 0.890 659 HB3 LEU 85 HB1 LEU 85 -0.634 1.423 1.330 660 HG LEU 85 HG LEU 85 -2.893 1.539 0.173 661 HD11 LEU 85 HD11 LEU 85 -2.337 3.507 -1.095 662 HD12 LEU 85 HD12 LEU 85 -0.643 3.025 -1.167 663 HD13 LEU 85 HD13 LEU 85 -1.369 3.467 0.379 664 HD21 LEU 85 HD21 LEU 85 -1.236 0.869 -2.254 665 HD22 LEU 85 HD22 LEU 85 -2.932 1.354 -2.243 666 HD23 LEU 85 HD23 LEU 85 -2.447 -0.179 -1.520 667 H ILE 86 H ILE 86 1.342 0.995 -2.458 668 HA ILE 86 HA ILE 86 2.981 3.187 -1.395 669 HB ILE 86 HB ILE 86 3.143 1.945 -4.142 670 HG12 ILE 86 HG12 ILE 86 4.903 1.248 -1.791 671 HG13 ILE 86 HG11 ILE 86 3.455 0.325 -2.178 672 HG21 ILE 86 HG21 ILE 86 5.136 3.529 -2.519 673 HG22 ILE 86 HG22 ILE 86 4.193 4.145 -3.878 674 HG23 ILE 86 HG23 ILE 86 5.398 2.883 -4.140 675 HD11 ILE 86 HD11 ILE 86 5.518 -0.683 -3.048 676 HD12 ILE 86 HD12 ILE 86 5.769 0.746 -4.051 677 HD13 ILE 86 HD13 ILE 86 4.359 -0.282 -4.315 678 H SER 87 H SER 87 2.012 5.118 -1.501 679 HA SER 87 HA SER 87 0.029 5.606 -3.581 680 HB2 SER 87 HB2 SER 87 -0.310 7.756 -2.244 681 HB3 SER 87 HB1 SER 87 -0.715 6.251 -1.421 682 HG SER 87 HG SER 87 1.660 7.777 -1.134 683 H ILE 88 H ILE 88 0.876 6.205 -5.466 684 HA ILE 88 HA ILE 88 3.219 7.913 -5.595 685 HB ILE 88 HB ILE 88 1.441 6.983 -7.856 686 HG12 ILE 88 HG12 ILE 88 2.378 5.069 -6.637 687 HG13 ILE 88 HG11 ILE 88 3.099 5.216 -8.234 688 HG21 ILE 88 HG21 ILE 88 2.806 8.905 -8.429 689 HG22 ILE 88 HG22 ILE 88 3.398 7.467 -9.261 690 HG23 ILE 88 HG23 ILE 88 4.250 8.080 -7.844 691 HD11 ILE 88 HD11 ILE 88 5.076 6.245 -7.236 692 HD12 ILE 88 HD12 ILE 88 4.762 4.638 -6.582 693 HD13 ILE 88 HD13 ILE 88 4.351 6.070 -5.638 694 H GLN 89 H GLN 89 2.923 9.984 -5.146 695 HA GLN 89 HA GLN 89 0.317 11.180 -5.412 696 HB2 GLN 89 HB2 GLN 89 2.929 12.328 -4.429 697 HB3 GLN 89 HB1 GLN 89 1.356 13.100 -4.278 698 HG2 GLN 89 HG2 GLN 89 0.587 11.451 -2.769 699 HG3 GLN 89 HG1 GLN 89 1.964 10.404 -3.105 700 HE21 GLN 89 HE21 GLN 89 2.318 13.841 -2.713 701 HE22 GLN 89 HE22 GLN 89 3.123 13.781 -1.180 702 H GLN 90 H GLN 90 0.476 13.674 -6.096 703 HA GLN 90 HA GLN 90 0.415 13.571 -8.867 704 HB2 GLN 90 HB2 GLN 90 0.660 15.992 -7.083 705 HB3 GLN 90 HB1 GLN 90 0.230 16.043 -8.787 706 HG2 GLN 90 HG2 GLN 90 -1.755 14.676 -8.298 707 HG3 GLN 90 HG1 GLN 90 -1.335 14.716 -6.586 708 HE21 GLN 90 HE21 GLN 90 -0.375 17.496 -6.783 709 HE22 GLN 90 HE22 GLN 90 -1.799 18.474 -6.852 710 H TYR 91 H TYR 91 2.979 14.896 -6.781 711 HA TYR 91 HA TYR 91 4.502 15.689 -9.118 712 HB2 TYR 91 HB2 TYR 91 5.160 15.907 -6.174 713 HB3 TYR 91 HB1 TYR 91 6.142 16.561 -7.479 714 HD1 TYR 91 HD1 TYR 91 3.317 17.125 -5.324 715 HD2 TYR 91 HD2 TYR 91 5.152 18.347 -8.960 716 HE1 TYR 91 HE1 TYR 91 1.997 19.196 -5.289 717 HE2 TYR 91 HE2 TYR 91 3.838 20.420 -8.936 718 HH TYR 91 HH TYR 91 2.121 21.477 -6.210 719 H GLY 92 H GLY 92 3.982 12.820 -7.779 720 HA2 GLY 92 HA2 GLY 92 5.083 10.872 -8.512 721 HA3 GLY 92 HA1 GLY 92 6.537 11.820 -8.778 722 H HIS 93 H HIS 93 5.226 12.582 -5.793 723 HA HIS 93 HA HIS 93 7.357 11.403 -4.361 724 HB2 HIS 93 HB2 HIS 93 6.126 13.431 -3.591 725 HB3 HIS 93 HB1 HIS 93 4.725 12.421 -3.264 726 HD1 HIS 93 HD1 HIS 93 4.574 11.464 -0.970 727 HD2 HIS 93 HD2 HIS 93 8.439 12.678 -1.913 728 HE1 HIS 93 HE1 HIS 93 5.913 11.169 1.138 729 HE2 HIS 93 HE2 HIS 93 8.188 12.098 0.596 730 H GLN 94 H GLN 94 7.608 9.346 -3.837 731 HA GLN 94 HA GLN 94 5.303 7.561 -3.829 732 HB2 GLN 94 HB2 GLN 94 8.236 6.914 -3.464 733 HB3 GLN 94 HB1 GLN 94 6.940 5.752 -3.697 734 HG2 GLN 94 HG2 GLN 94 6.536 6.735 -5.935 735 HG3 GLN 94 HG1 GLN 94 7.945 7.764 -5.694 736 HE21 GLN 94 HE21 GLN 94 6.814 4.544 -6.290 737 HE22 GLN 94 HE22 GLN 94 8.350 3.850 -6.668 738 H GLU 95 H GLU 95 4.271 7.127 -1.991 739 HA GLU 95 HA GLU 95 5.851 7.124 0.494 740 HB2 GLU 95 HB2 GLU 95 4.127 9.032 0.171 741 HB3 GLU 95 HB1 GLU 95 2.915 7.787 0.443 742 HG2 GLU 95 HG2 GLU 95 3.471 9.035 2.483 743 HG3 GLU 95 HG1 GLU 95 3.812 7.311 2.621 744 H VAL 96 H VAL 96 5.656 5.317 1.735 745 HA VAL 96 HA VAL 96 3.916 3.225 0.600 746 HB VAL 96 HB VAL 96 6.576 2.804 1.966 747 HG11 VAL 96 HG11 VAL 96 4.812 0.912 0.420 748 HG12 VAL 96 HG12 VAL 96 5.069 0.908 2.164 749 HG13 VAL 96 HG13 VAL 96 6.405 0.532 1.075 750 HG21 VAL 96 HG21 VAL 96 6.976 3.948 -0.110 751 HG22 VAL 96 HG22 VAL 96 5.896 2.854 -0.972 752 HG23 VAL 96 HG23 VAL 96 7.414 2.250 -0.308 753 H THR 97 H THR 97 2.315 2.686 1.906 754 HA THR 97 HA THR 97 2.754 2.731 4.808 755 HB THR 97 HB THR 97 0.152 2.264 3.336 756 HG1 THR 97 HG1 THR 97 -0.231 4.508 4.051 757 HG21 THR 97 HG21 THR 97 -0.844 2.857 5.521 758 HG22 THR 97 HG22 THR 97 0.775 2.933 6.217 759 HG23 THR 97 HG23 THR 97 0.147 1.400 5.607 760 H ARG 98 H ARG 98 3.371 0.903 5.723 761 HA ARG 98 HA ARG 98 3.120 -1.576 4.198 762 HB2 ARG 98 HB2 ARG 98 4.786 -0.968 6.648 763 HB3 ARG 98 HB1 ARG 98 4.877 -2.423 5.662 764 HG2 ARG 98 HG2 ARG 98 5.641 -1.106 3.761 765 HG3 ARG 98 HG1 ARG 98 5.509 0.366 4.716 766 HD2 ARG 98 HD2 ARG 98 7.292 -1.962 5.394 767 HD3 ARG 98 HD1 ARG 98 7.820 -0.515 4.537 768 HE ARG 98 HE ARG 98 6.896 0.634 6.683 769 HH11 ARG 98 HH11 ARG 98 8.634 -2.398 6.494 770 HH12 ARG 98 HH12 ARG 98 9.330 -2.248 8.073 771 HH21 ARG 98 HH21 ARG 98 7.820 0.839 8.769 772 HH22 ARG 98 HH22 ARG 98 8.871 -0.407 9.364 773 H PHE 99 H PHE 99 1.975 -3.298 4.873 774 HA PHE 99 HA PHE 99 0.897 -3.358 7.580 775 HB2 PHE 99 HB2 PHE 99 -1.405 -3.705 6.808 776 HB3 PHE 99 HB1 PHE 99 -0.801 -2.134 6.302 777 HD1 PHE 99 HD1 PHE 99 0.013 -1.893 3.897 778 HD2 PHE 99 HD2 PHE 99 -2.278 -5.211 5.261 779 HE1 PHE 99 HE1 PHE 99 -0.637 -2.397 1.579 780 HE2 PHE 99 HE2 PHE 99 -2.926 -5.720 2.946 781 HZ PHE 99 HZ PHE 99 -2.106 -4.313 1.101 782 H ASP 100 H ASP 100 -0.261 -5.471 7.981 783 HA ASP 100 HA ASP 100 0.978 -7.617 6.375 784 HB2 ASP 100 HB2 ASP 100 0.570 -7.588 9.380 785 HB3 ASP 100 HB1 ASP 100 1.152 -8.963 8.452 786 H PHE 101 H PHE 101 -0.332 -9.376 5.899 787 HA PHE 101 HA PHE 101 -2.950 -9.496 7.142 788 HB2 PHE 101 HB2 PHE 101 -4.184 -9.422 5.035 789 HB3 PHE 101 HB1 PHE 101 -3.317 -7.921 5.317 790 HD1 PHE 101 HD1 PHE 101 -1.168 -7.516 4.052 791 HD2 PHE 101 HD2 PHE 101 -3.865 -10.662 3.082 792 HE1 PHE 101 HE1 PHE 101 -0.179 -7.670 1.806 793 HE2 PHE 101 HE2 PHE 101 -2.872 -10.821 0.838 794 HZ PHE 101 HZ PHE 101 -1.029 -9.321 0.196 795 H THR 102 H THR 102 -3.915 -11.432 7.077 796 HA THR 102 HA THR 102 -3.046 -13.534 5.292 797 HB THR 102 HB THR 102 -2.828 -13.959 8.285 798 HG1 THR 102 HG1 THR 102 -1.057 -12.901 6.532 799 HG21 THR 102 HG21 THR 102 -2.042 -15.718 5.956 800 HG22 THR 102 HG22 THR 102 -3.440 -15.961 7.004 801 HG23 THR 102 HG23 THR 102 -1.810 -16.096 7.664 802 H THR 103 H THR 103 -4.804 -12.820 8.278 803 HA THR 103 HA THR 103 -7.284 -13.690 7.022 804 HB THR 103 HB THR 103 -7.808 -14.693 9.420 805 HG1 THR 103 HG1 THR 103 -5.182 -15.609 9.314 806 HG21 THR 103 HG21 THR 103 -6.203 -16.162 7.324 807 HG22 THR 103 HG22 THR 103 -7.954 -15.952 7.336 808 HG23 THR 103 HG23 THR 103 -7.173 -16.918 8.588 809 H THR 104 H THR 104 -8.844 -12.234 7.375 810 HA THR 104 HA THR 104 -8.231 -9.864 8.835 811 HB THR 104 HB THR 104 -9.578 -9.817 6.766 812 HG1 THR 104 HG1 THR 104 -10.117 -8.007 7.729 813 HG21 THR 104 HG21 THR 104 -11.735 -11.102 8.443 814 HG22 THR 104 HG22 THR 104 -10.874 -11.867 7.109 815 HG23 THR 104 HG23 THR 104 -11.928 -10.488 6.801 816 H SER 105 H SER 105 -9.857 -12.806 9.564 817 HA SER 105 HA SER 105 -11.040 -11.733 11.994 818 HB2 SER 105 HB2 SER 105 -12.206 -13.455 10.506 819 HB3 SER 105 HB1 SER 105 -11.023 -14.621 11.097 820 HG SER 105 HG SER 105 -12.640 -13.065 12.829 821 H THR 106 H THR 106 -9.139 -11.148 13.058 822 HA THR 106 HA THR 106 -7.559 -13.404 14.089 823 HB THR 106 HB THR 106 -6.205 -12.305 12.389 824 HG1 THR 106 HG1 THR 106 -5.432 -11.812 15.080 825 HG21 THR 106 HG21 THR 106 -5.525 -9.962 12.598 826 HG22 THR 106 HG22 THR 106 -6.596 -9.774 13.988 827 HG23 THR 106 HG23 THR 106 -7.271 -10.108 12.393 828 H SER 107 H SER 107 -9.828 -12.044 15.195 829 HA SER 107 HA SER 107 -10.588 -11.230 17.162 830 HB2 SER 107 HB2 SER 107 -8.887 -12.933 18.030 831 HB3 SER 107 HB1 SER 107 -7.796 -11.570 18.270 832 HG SER 107 HG SER 107 -9.739 -12.431 19.861 833 H THR 108 H THR 108 -10.845 -9.222 16.069 834 HA THR 108 HA THR 108 -8.839 -7.182 16.767 835 HB THR 108 HB THR 108 -9.866 -5.884 14.836 836 HG1 THR 108 HG1 THR 108 -11.772 -7.160 14.627 837 HG21 THR 108 HG21 THR 108 -8.577 -7.093 13.138 838 HG22 THR 108 HG22 THR 108 -8.490 -8.496 14.202 839 HG23 THR 108 HG23 THR 108 -7.692 -6.992 14.658 840 HA PRO 109 HA PRO 109 -12.490 -5.796 19.116 841 HB2 PRO 109 HB2 PRO 109 -11.156 -4.814 21.223 842 HB3 PRO 109 HB1 PRO 109 -11.422 -6.550 21.025 843 HG2 PRO 109 HG2 PRO 109 -8.969 -4.932 20.482 844 HG3 PRO 109 HG1 PRO 109 -9.113 -6.548 21.195 845 HD2 PRO 109 HD2 PRO 109 -8.458 -6.041 18.559 846 HD3 PRO 109 HD1 PRO 109 -9.139 -7.566 19.156 847 H GLY 110 H GLY 110 -9.927 -4.241 17.590 848 HA2 GLY 110 HA2 GLY 110 -10.788 -2.055 16.600 849 HA3 GLY 110 HA1 GLY 110 -10.957 -1.570 18.281 850 H SER 111 H SER 111 -9.095 -1.090 15.722 851 HA SER 111 HA SER 111 -6.467 -1.384 16.815 852 HB2 SER 111 HB2 SER 111 -7.382 0.327 14.490 853 HB3 SER 111 HB1 SER 111 -5.734 -0.208 14.819 854 HG SER 111 HG SER 111 -6.390 -2.333 14.448 855 H ARG 112 H ARG 112 -8.978 0.763 17.344 856 HA ARG 112 HA ARG 112 -7.662 3.166 17.909 857 HB2 ARG 112 HB2 ARG 112 -9.582 3.614 19.438 858 HB3 ARG 112 HB1 ARG 112 -10.069 3.098 17.832 859 HG2 ARG 112 HG2 ARG 112 -10.532 0.869 18.646 860 HG3 ARG 112 HG1 ARG 112 -9.938 1.305 20.248 861 HD2 ARG 112 HD2 ARG 112 -12.361 1.338 20.212 862 HD3 ARG 112 HD1 ARG 112 -11.731 2.967 20.448 863 HE ARG 112 HE ARG 112 -12.109 2.754 17.747 864 HH11 ARG 112 HH11 ARG 112 -14.144 2.367 20.572 865 HH12 ARG 112 HH12 ARG 112 -15.589 2.874 19.755 866 HH21 ARG 112 HH21 ARG 112 -14.009 3.443 16.680 867 HH22 ARG 112 HH22 ARG 112 -15.505 3.508 17.552 868 H SER 113 H SER 113 -7.814 0.164 19.661 869 HA SER 113 HA SER 113 -6.708 1.366 22.064 870 HB2 SER 113 HB2 SER 113 -8.464 -0.422 22.203 871 HB3 SER 113 HB1 SER 113 -7.300 -1.552 21.513 872 HG SER 113 HG SER 113 -6.254 -0.195 23.624 873 H HIS 114 H HIS 114 -4.632 1.900 21.819 874 HA HIS 114 HA HIS 114 -2.749 -0.254 21.399 875 HB2 HIS 114 HB2 HIS 114 -1.406 1.114 19.751 876 HB3 HIS 114 HB1 HIS 114 -2.902 0.437 19.126 877 HD1 HIS 114 HD1 HIS 114 -4.466 2.025 18.012 878 HD2 HIS 114 HD2 HIS 114 -1.621 3.978 20.338 879 HE1 HIS 114 HE1 HIS 114 -4.767 4.478 17.540 880 HE2 HIS 114 HE2 HIS 114 -2.945 5.625 18.847 881 H HIS 115 H HIS 115 -3.438 1.125 23.693 882 HA HIS 115 HA HIS 115 -1.679 3.211 24.386 883 HB2 HIS 115 HB2 HIS 115 -3.617 2.611 25.761 884 HB3 HIS 115 HB1 HIS 115 -2.914 1.039 26.102 885 HD1 HIS 115 HD1 HIS 115 -2.706 4.642 27.066 886 HD2 HIS 115 HD2 HIS 115 -0.930 1.025 28.083 887 HE1 HIS 115 HE1 HIS 115 -1.456 5.080 29.202 888 HE2 HIS 115 HE2 HIS 115 -0.418 2.871 29.822 889 H HIS 116 H HIS 116 0.437 3.025 23.961 890 HA HIS 116 HA HIS 116 2.556 2.239 23.831 891 HB2 HIS 116 HB2 HIS 116 1.600 0.748 26.262 892 HB3 HIS 116 HB1 HIS 116 3.204 0.450 25.599 893 HD1 HIS 116 HD1 HIS 116 5.010 2.067 26.214 894 HD2 HIS 116 HD2 HIS 116 1.216 3.482 27.152 895 HE1 HIS 116 HE1 HIS 116 5.378 4.180 27.524 896 HE2 HIS 116 HE2 HIS 116 3.071 5.082 27.974 897 H HIS 117 H HIS 117 0.416 1.087 22.307 898 HA HIS 117 HA HIS 117 -0.015 -0.541 20.805 899 HB2 HIS 117 HB2 HIS 117 2.465 0.021 20.336 900 HB3 HIS 117 HB1 HIS 117 2.818 -1.515 21.116 901 HD1 HIS 117 HD1 HIS 117 2.789 -3.516 19.617 902 HD2 HIS 117 HD2 HIS 117 0.681 -0.315 18.010 903 HE1 HIS 117 HE1 HIS 117 2.106 -4.245 17.313 904 HE2 HIS 117 HE2 HIS 117 0.750 -2.332 16.394 905 H HIS 118 H HIS 118 -0.277 -1.133 23.722 906 HA HIS 118 HA HIS 118 0.372 -3.842 24.183 907 HB2 HIS 118 HB2 HIS 118 -0.226 -2.269 25.996 908 HB3 HIS 118 HB1 HIS 118 -1.875 -2.212 25.392 909 HD1 HIS 118 HD1 HIS 118 -3.455 -3.884 26.355 910 HD2 HIS 118 HD2 HIS 118 0.517 -4.953 26.944 911 HE1 HIS 118 HE1 HIS 118 -3.515 -5.923 27.822 912 HE2 HIS 118 HE2 HIS 118 -1.100 -6.450 28.293 913 H HIS 119 H HIS 119 -2.843 -2.442 23.553 914 HA HIS 119 HA HIS 119 -4.647 -3.187 22.405 915 HB2 HIS 119 HB2 HIS 119 -3.049 -3.008 20.531 916 HB3 HIS 119 HB1 HIS 119 -2.569 -4.680 20.792 917 HD1 HIS 119 HD1 HIS 119 -3.805 -6.378 19.485 918 HD2 HIS 119 HD2 HIS 119 -5.881 -2.790 19.740 919 HE1 HIS 119 HE1 HIS 119 -5.797 -6.644 17.978 920 HE2 HIS 119 HE2 HIS 119 -6.907 -4.385 17.984 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 0.641 24.085 8.939 2 H2 GLY 1 HT2 GLY 1 1.836 25.228 9.289 3 H3 GLY 1 HT3 GLY 1 0.252 25.472 9.827 4 HA2 GLY 1 HA1 GLY 1 1.615 24.757 11.655 5 HA3 GLY 1 HA2 GLY 1 0.417 23.532 11.261 6 H SER 2 H SER 2 3.029 23.283 12.593 7 HA SER 2 HA SER 2 4.753 21.960 10.694 8 HB2 SER 2 HB2 SER 2 4.974 22.131 13.709 9 HB3 SER 2 HB1 SER 2 6.244 21.625 12.594 10 HG SER 2 HG SER 2 5.076 24.191 12.874 11 H GLN 3 H GLN 3 3.192 20.367 10.019 12 HA GLN 3 HA GLN 3 2.642 18.243 11.958 13 HB2 GLN 3 HB2 GLN 3 1.602 18.710 9.158 14 HB3 GLN 3 HB1 GLN 3 1.187 17.321 10.148 15 HG2 GLN 3 HG2 GLN 3 0.204 18.824 11.820 16 HG3 GLN 3 HG1 GLN 3 0.585 20.198 10.783 17 HE21 GLN 3 HE21 GLN 3 -0.607 20.537 8.923 18 HE22 GLN 3 HE22 GLN 3 -2.102 19.724 8.617 19 H THR 4 H THR 4 4.863 17.569 12.043 20 HA THR 4 HA THR 4 6.012 16.472 9.600 21 HB THR 4 HB THR 4 7.992 16.007 11.114 22 HG1 THR 4 HG1 THR 4 7.749 17.548 13.059 23 HG21 THR 4 HG21 THR 4 8.701 18.351 11.175 24 HG22 THR 4 HG22 THR 4 7.035 18.866 10.916 25 HG23 THR 4 HG23 THR 4 7.887 17.977 9.656 26 H THR 5 H THR 5 4.528 15.424 12.566 27 HA THR 5 HA THR 5 5.283 12.659 12.204 28 HB THR 5 HB THR 5 3.541 12.322 14.066 29 HG1 THR 5 HG1 THR 5 2.521 14.041 14.752 30 HG21 THR 5 HG21 THR 5 5.936 12.305 14.492 31 HG22 THR 5 HG22 THR 5 5.095 13.153 15.787 32 HG23 THR 5 HG23 THR 5 5.956 14.066 14.549 33 H ALA 6 H ALA 6 2.922 14.736 10.993 34 HA ALA 6 HA ALA 6 1.027 12.598 10.398 35 HB1 ALA 6 HB1 ALA 6 0.849 15.526 9.710 36 HB2 ALA 6 HB2 ALA 6 0.206 14.808 11.184 37 HB3 ALA 6 HB3 ALA 6 -0.444 14.335 9.615 38 HA PRO 7 HA PRO 7 3.190 12.445 6.438 39 HB2 PRO 7 HB2 PRO 7 2.729 9.865 5.916 40 HB3 PRO 7 HB1 PRO 7 3.910 10.347 7.138 41 HG2 PRO 7 HG2 PRO 7 1.137 9.311 7.484 42 HG3 PRO 7 HG1 PRO 7 2.582 9.005 8.463 43 HD2 PRO 7 HD2 PRO 7 0.560 10.836 9.063 44 HD3 PRO 7 HD1 PRO 7 2.179 10.804 9.787 45 H ASP 8 H ASP 8 2.444 11.622 4.239 46 HA ASP 8 HA ASP 8 -0.425 12.189 3.924 47 HB2 ASP 8 HB2 ASP 8 1.846 12.319 1.925 48 HB3 ASP 8 HB1 ASP 8 0.153 12.555 1.507 49 H ALA 9 H ALA 9 1.008 9.675 4.698 50 HA ALA 9 HA ALA 9 0.386 7.860 2.519 51 HB1 ALA 9 HB1 ALA 9 1.360 6.146 3.939 52 HB2 ALA 9 HB2 ALA 9 1.477 7.294 5.274 53 HB3 ALA 9 HB3 ALA 9 2.440 7.533 3.817 54 HA PRO 10 HA PRO 10 -3.827 7.169 3.829 55 HB2 PRO 10 HB2 PRO 10 -3.196 4.505 2.632 56 HB3 PRO 10 HB1 PRO 10 -4.586 5.560 2.351 57 HG2 PRO 10 HG2 PRO 10 -2.634 5.402 0.557 58 HG3 PRO 10 HG1 PRO 10 -3.402 6.959 0.926 59 HD2 PRO 10 HD2 PRO 10 -0.735 5.927 1.748 60 HD3 PRO 10 HD1 PRO 10 -1.226 7.567 1.365 61 HA PRO 11 HA PRO 11 -3.203 5.222 7.843 62 HB2 PRO 11 HB2 PRO 11 -6.125 4.792 7.353 63 HB3 PRO 11 HB1 PRO 11 -5.304 5.356 8.814 64 HG2 PRO 11 HG2 PRO 11 -6.551 7.075 7.211 65 HG3 PRO 11 HG1 PRO 11 -5.010 7.499 7.980 66 HD2 PRO 11 HD2 PRO 11 -5.585 6.802 5.150 67 HD3 PRO 11 HD1 PRO 11 -4.326 7.856 5.823 68 H ASP 12 H ASP 12 -3.118 3.166 8.628 69 HA ASP 12 HA ASP 12 -2.303 1.153 7.054 70 HB2 ASP 12 HB2 ASP 12 -3.828 0.814 9.643 71 HB3 ASP 12 HB1 ASP 12 -2.808 -0.412 8.899 72 HA PRO 13 HA PRO 13 -5.755 0.164 4.440 73 HB2 PRO 13 HB2 PRO 13 -4.062 -2.294 4.187 74 HB3 PRO 13 HB1 PRO 13 -4.860 -1.343 2.925 75 HG2 PRO 13 HG2 PRO 13 -2.270 -1.047 3.335 76 HG3 PRO 13 HG1 PRO 13 -3.290 0.378 3.055 77 HD2 PRO 13 HD2 PRO 13 -2.113 -0.640 5.604 78 HD3 PRO 13 HD1 PRO 13 -2.363 1.031 5.061 79 H THR 14 H THR 14 -7.580 -0.946 4.602 80 HA THR 14 HA THR 14 -7.894 -2.725 6.910 81 HB THR 14 HB THR 14 -10.095 -1.550 5.230 82 HG1 THR 14 HG1 THR 14 -8.480 -0.341 7.177 83 HG21 THR 14 HG21 THR 14 -9.989 -2.489 8.094 84 HG22 THR 14 HG22 THR 14 -10.733 -3.350 6.747 85 HG23 THR 14 HG23 THR 14 -11.404 -1.812 7.290 86 H VAL 15 H VAL 15 -7.777 -4.830 6.441 87 HA VAL 15 HA VAL 15 -8.675 -5.746 3.800 88 HB VAL 15 HB VAL 15 -6.859 -7.086 5.813 89 HG11 VAL 15 HG11 VAL 15 -6.564 -8.850 4.132 90 HG12 VAL 15 HG12 VAL 15 -7.801 -8.091 3.131 91 HG13 VAL 15 HG13 VAL 15 -8.230 -8.762 4.705 92 HG21 VAL 15 HG21 VAL 15 -5.139 -6.825 4.117 93 HG22 VAL 15 HG22 VAL 15 -5.828 -5.256 4.536 94 HG23 VAL 15 HG23 VAL 15 -6.298 -6.055 3.034 95 H ASP 16 H ASP 16 -10.493 -6.849 3.638 96 HA ASP 16 HA ASP 16 -12.038 -7.433 6.001 97 HB2 ASP 16 HB2 ASP 16 -12.586 -7.717 3.052 98 HB3 ASP 16 HB1 ASP 16 -13.715 -8.300 4.269 99 H GLN 17 H GLN 17 -13.381 -9.647 5.709 100 HA GLN 17 HA GLN 17 -11.588 -11.678 6.418 101 HB2 GLN 17 HB2 GLN 17 -13.526 -13.185 6.340 102 HB3 GLN 17 HB1 GLN 17 -13.900 -11.702 7.174 103 HG2 GLN 17 HG2 GLN 17 -15.021 -10.865 5.157 104 HG3 GLN 17 HG1 GLN 17 -14.670 -12.394 4.355 105 HE21 GLN 17 HE21 GLN 17 -17.232 -11.138 4.943 106 HE22 GLN 17 HE22 GLN 17 -18.119 -12.280 5.895 107 H VAL 18 H VAL 18 -10.519 -13.173 5.310 108 HA VAL 18 HA VAL 18 -10.175 -12.883 2.524 109 HB VAL 18 HB VAL 18 -8.363 -13.648 3.977 110 HG11 VAL 18 HG11 VAL 18 -8.318 -15.907 4.887 111 HG12 VAL 18 HG12 VAL 18 -9.952 -16.189 4.285 112 HG13 VAL 18 HG13 VAL 18 -9.672 -14.983 5.540 113 HG21 VAL 18 HG21 VAL 18 -9.128 -15.705 1.907 114 HG22 VAL 18 HG22 VAL 18 -7.515 -15.481 2.588 115 HG23 VAL 18 HG23 VAL 18 -8.245 -14.207 1.612 116 H ASP 19 H ASP 19 -11.041 -13.888 0.846 117 HA ASP 19 HA ASP 19 -13.299 -15.655 1.240 118 HB2 ASP 19 HB2 ASP 19 -11.996 -14.611 -1.292 119 HB3 ASP 19 HB1 ASP 19 -13.496 -15.529 -1.234 120 H ASP 20 H ASP 20 -12.799 -17.147 -1.270 121 HA ASP 20 HA ASP 20 -11.590 -19.442 -0.253 122 HB2 ASP 20 HB2 ASP 20 -13.007 -19.574 -2.207 123 HB3 ASP 20 HB1 ASP 20 -11.906 -18.552 -3.125 124 H THR 21 H THR 21 -10.220 -17.086 -2.529 125 HA THR 21 HA THR 21 -7.592 -17.449 -1.344 126 HB THR 21 HB THR 21 -6.714 -17.577 -3.837 127 HG1 THR 21 HG1 THR 21 -9.135 -19.070 -4.053 128 HG21 THR 21 HG21 THR 21 -6.184 -19.222 -2.127 129 HG22 THR 21 HG22 THR 21 -6.597 -20.031 -3.640 130 HG23 THR 21 HG23 THR 21 -7.771 -19.968 -2.327 131 H SER 22 H SER 22 -9.434 -15.253 -1.360 132 HA SER 22 HA SER 22 -7.769 -13.250 -2.665 133 HB2 SER 22 HB2 SER 22 -10.753 -13.327 -3.143 134 HB3 SER 22 HB1 SER 22 -9.594 -12.201 -3.843 135 HG SER 22 HG SER 22 -8.712 -14.592 -4.434 136 H ILE 23 H ILE 23 -7.946 -11.180 -1.779 137 HA ILE 23 HA ILE 23 -9.751 -10.894 0.533 138 HB ILE 23 HB ILE 23 -8.122 -9.611 1.743 139 HG12 ILE 23 HG12 ILE 23 -6.060 -10.109 -0.385 140 HG13 ILE 23 HG11 ILE 23 -7.112 -8.702 -0.465 141 HG21 ILE 23 HG21 ILE 23 -6.862 -12.138 0.696 142 HG22 ILE 23 HG22 ILE 23 -7.970 -12.005 2.062 143 HG23 ILE 23 HG23 ILE 23 -6.366 -11.278 2.153 144 HD11 ILE 23 HD11 ILE 23 -5.105 -7.994 0.537 145 HD12 ILE 23 HD12 ILE 23 -5.076 -9.377 1.634 146 HD13 ILE 23 HD13 ILE 23 -6.288 -8.112 1.842 147 H VAL 24 H VAL 24 -10.569 -8.779 0.873 148 HA VAL 24 HA VAL 24 -10.104 -6.893 -1.329 149 HB VAL 24 HB VAL 24 -12.287 -6.900 0.771 150 HG11 VAL 24 HG11 VAL 24 -13.254 -5.031 -0.496 151 HG12 VAL 24 HG12 VAL 24 -11.839 -5.017 -1.549 152 HG13 VAL 24 HG13 VAL 24 -11.669 -4.617 0.161 153 HG21 VAL 24 HG21 VAL 24 -12.398 -7.412 -2.202 154 HG22 VAL 24 HG22 VAL 24 -13.779 -7.376 -1.108 155 HG23 VAL 24 HG23 VAL 24 -12.553 -8.632 -0.939 156 H VAL 25 H VAL 25 -8.409 -5.668 -0.907 157 HA VAL 25 HA VAL 25 -7.920 -4.791 1.843 158 HB VAL 25 HB VAL 25 -5.987 -5.818 0.932 159 HG11 VAL 25 HG11 VAL 25 -6.519 -5.809 -1.405 160 HG12 VAL 25 HG12 VAL 25 -4.923 -5.095 -1.169 161 HG13 VAL 25 HG13 VAL 25 -6.316 -4.058 -1.487 162 HG21 VAL 25 HG21 VAL 25 -5.483 -3.820 2.192 163 HG22 VAL 25 HG22 VAL 25 -5.629 -2.835 0.737 164 HG23 VAL 25 HG23 VAL 25 -4.326 -4.019 0.875 165 H ARG 26 H ARG 26 -8.653 -2.914 2.409 166 HA ARG 26 HA ARG 26 -9.224 -0.868 0.372 167 HB2 ARG 26 HB2 ARG 26 -10.147 -0.898 3.243 168 HB3 ARG 26 HB1 ARG 26 -10.799 0.044 1.914 169 HG2 ARG 26 HG2 ARG 26 -11.796 -1.882 0.933 170 HG3 ARG 26 HG1 ARG 26 -10.952 -2.958 2.052 171 HD2 ARG 26 HD2 ARG 26 -12.158 -1.948 3.922 172 HD3 ARG 26 HD1 ARG 26 -13.009 -0.887 2.804 173 HE ARG 26 HE ARG 26 -13.282 -3.832 2.771 174 HH11 ARG 26 HH11 ARG 26 -14.683 -0.616 2.608 175 HH12 ARG 26 HH12 ARG 26 -16.303 -1.200 2.434 176 HH21 ARG 26 HH21 ARG 26 -15.403 -4.585 2.583 177 HH22 ARG 26 HH22 ARG 26 -16.718 -3.459 2.434 178 H TRP 27 H TRP 27 -8.713 1.374 0.902 179 HA TRP 27 HA TRP 27 -6.989 1.827 3.196 180 HB2 TRP 27 HB2 TRP 27 -5.318 3.074 1.769 181 HB3 TRP 27 HB1 TRP 27 -5.289 1.323 1.604 182 HD1 TRP 27 HD1 TRP 27 -6.354 4.483 -0.329 183 HE1 TRP 27 HE1 TRP 27 -6.478 3.885 -2.834 184 HE3 TRP 27 HE3 TRP 27 -5.564 -0.557 -0.004 185 HZ2 TRP 27 HZ2 TRP 27 -6.259 1.588 -4.448 186 HZ3 TRP 27 HZ3 TRP 27 -5.533 -1.883 -2.075 187 HH2 TRP 27 HH2 TRP 27 -5.874 -0.828 -4.250 188 H SER 28 H SER 28 -7.302 3.781 4.082 189 HA SER 28 HA SER 28 -9.344 5.467 2.945 190 HB2 SER 28 HB2 SER 28 -7.675 5.858 5.444 191 HB3 SER 28 HB1 SER 28 -9.137 6.749 5.022 192 HG SER 28 HG SER 28 -8.990 3.940 5.440 193 H ARG 29 H ARG 29 -8.799 6.797 1.338 194 HA ARG 29 HA ARG 29 -6.244 7.778 0.813 195 HB2 ARG 29 HB2 ARG 29 -7.219 9.228 -0.810 196 HB3 ARG 29 HB1 ARG 29 -8.142 7.734 -0.828 197 HG2 ARG 29 HG2 ARG 29 -8.985 10.247 0.605 198 HG3 ARG 29 HG1 ARG 29 -9.537 9.766 -1.001 199 HD2 ARG 29 HD2 ARG 29 -10.560 7.790 -0.116 200 HD3 ARG 29 HD1 ARG 29 -9.864 8.094 1.474 201 HE ARG 29 HE ARG 29 -11.303 10.269 1.230 202 HH11 ARG 29 HH11 ARG 29 -12.181 7.033 0.207 203 HH12 ARG 29 HH12 ARG 29 -13.866 7.247 0.566 204 HH21 ARG 29 HH21 ARG 29 -13.528 10.560 1.668 205 HH22 ARG 29 HH22 ARG 29 -14.631 9.249 1.387 206 HA PRO 30 HA PRO 30 -5.653 10.944 3.847 207 HB2 PRO 30 HB2 PRO 30 -4.060 12.619 2.323 208 HB3 PRO 30 HB1 PRO 30 -3.476 11.224 3.234 209 HG2 PRO 30 HG2 PRO 30 -4.106 11.461 0.327 210 HG3 PRO 30 HG1 PRO 30 -2.791 10.578 1.123 211 HD2 PRO 30 HD2 PRO 30 -4.970 9.321 0.177 212 HD3 PRO 30 HD1 PRO 30 -4.151 8.783 1.652 213 H1 MET 31 HT1 MET 31 -0.309 35.934 4.126 214 H2 MET 31 HT2 MET 31 -0.361 36.238 2.465 215 H3 MET 31 HT3 MET 31 -0.145 34.662 3.025 216 HA MET 31 HA MET 31 -2.339 34.703 4.036 217 HB2 MET 31 HB2 MET 31 -2.445 37.158 4.338 218 HB3 MET 31 HB1 MET 31 -2.595 37.351 2.599 219 HG2 MET 31 HG2 MET 31 -4.713 36.166 2.625 220 HG3 MET 31 HG1 MET 31 -4.556 35.899 4.361 221 HE1 MET 31 HE1 MET 31 -6.988 36.918 4.715 222 HE2 MET 31 HE2 MET 31 -7.131 37.199 2.980 223 HE3 MET 31 HE3 MET 31 -7.479 38.502 4.115 224 H ARG 32 H ARG 32 -1.437 35.967 0.827 225 HA ARG 32 HA ARG 32 -2.665 33.651 -0.413 226 HB2 ARG 32 HB2 ARG 32 -4.046 34.973 -1.953 227 HB3 ARG 32 HB1 ARG 32 -4.549 35.216 -0.285 228 HG2 ARG 32 HG2 ARG 32 -3.418 37.342 -0.210 229 HG3 ARG 32 HG1 ARG 32 -2.772 37.090 -1.830 230 HD2 ARG 32 HD2 ARG 32 -5.037 37.089 -2.736 231 HD3 ARG 32 HD1 ARG 32 -5.690 37.328 -1.117 232 HE ARG 32 HE ARG 32 -4.029 39.418 -1.363 233 HH11 ARG 32 HH11 ARG 32 -6.489 38.153 -3.504 234 HH12 ARG 32 HH12 ARG 32 -6.880 39.702 -4.183 235 HH21 ARG 32 HH21 ARG 32 -4.537 41.460 -2.248 236 HH22 ARG 32 HH22 ARG 32 -5.773 41.589 -3.459 237 H GLY 33 H GLY 33 -2.444 34.026 -2.961 238 HA2 GLY 33 HA2 GLY 33 -0.462 35.730 -3.959 239 HA3 GLY 33 HA1 GLY 33 0.311 34.216 -3.507 240 H SER 34 H SER 34 0.824 33.693 -5.629 241 HA SER 34 HA SER 34 -1.074 33.614 -7.727 242 HB2 SER 34 HB2 SER 34 0.702 32.108 -8.798 243 HB3 SER 34 HB1 SER 34 1.206 33.739 -8.356 244 HG SER 34 HG SER 34 2.751 32.667 -7.383 245 H ASN 35 H ASN 35 0.459 30.985 -5.888 246 HA ASN 35 HA ASN 35 -1.915 29.519 -5.503 247 HB2 ASN 35 HB2 ASN 35 -1.557 27.641 -7.019 248 HB3 ASN 35 HB1 ASN 35 -1.706 29.127 -7.948 249 HD21 ASN 35 HD21 ASN 35 0.322 26.497 -7.082 250 HD22 ASN 35 HD22 ASN 35 1.657 26.903 -8.102 251 H ALA 36 H ALA 36 -1.594 27.949 -4.004 252 HA ALA 36 HA ALA 36 1.199 27.340 -3.284 253 HB1 ALA 36 HB1 ALA 36 -1.241 27.340 -1.505 254 HB2 ALA 36 HB2 ALA 36 0.017 28.576 -1.532 255 HB3 ALA 36 HB3 ALA 36 0.401 26.936 -1.005 256 HA PRO 37 HA PRO 37 -0.361 23.455 -5.084 257 HB2 PRO 37 HB2 PRO 37 2.495 22.731 -4.834 258 HB3 PRO 37 HB1 PRO 37 1.446 22.696 -6.254 259 HG2 PRO 37 HG2 PRO 37 3.353 24.551 -5.983 260 HG3 PRO 37 HG1 PRO 37 1.787 24.934 -6.726 261 HD2 PRO 37 HD2 PRO 37 2.776 25.530 -3.962 262 HD3 PRO 37 HD1 PRO 37 1.828 26.551 -5.066 263 H GLN 38 H GLN 38 -1.462 22.511 -3.419 264 HA GLN 38 HA GLN 38 -0.328 21.737 -0.953 265 HB2 GLN 38 HB2 GLN 38 -2.751 22.075 -1.285 266 HB3 GLN 38 HB1 GLN 38 -2.799 20.675 -2.345 267 HG2 GLN 38 HG2 GLN 38 -2.285 19.200 -0.543 268 HG3 GLN 38 HG1 GLN 38 -1.975 20.554 0.543 269 HE21 GLN 38 HE21 GLN 38 -3.864 18.344 0.811 270 HE22 GLN 38 HE22 GLN 38 -5.427 19.066 0.974 271 HA PRO 39 HA PRO 39 1.940 18.218 -2.461 272 HB2 PRO 39 HB2 PRO 39 2.794 17.297 -0.066 273 HB3 PRO 39 HB1 PRO 39 3.473 18.741 -0.825 274 HG2 PRO 39 HG2 PRO 39 1.420 18.529 1.342 275 HG3 PRO 39 HG1 PRO 39 2.803 19.630 1.216 276 HD2 PRO 39 HD2 PRO 39 0.266 20.371 0.598 277 HD3 PRO 39 HD1 PRO 39 1.693 21.061 -0.198 278 H SER 40 H SER 40 -0.397 17.478 -2.949 279 HA SER 40 HA SER 40 -0.756 14.897 -1.660 280 HB2 SER 40 HB2 SER 40 -3.200 15.321 -1.378 281 HB3 SER 40 HB1 SER 40 -2.206 16.347 -0.352 282 HG SER 40 HG SER 40 -4.024 17.320 -1.656 283 H HIS 41 H HIS 41 -3.405 14.639 -2.970 284 HA HIS 41 HA HIS 41 -4.363 14.046 -4.935 285 HB2 HIS 41 HB2 HIS 41 -2.179 15.710 -6.211 286 HB3 HIS 41 HB1 HIS 41 -3.557 15.029 -7.066 287 HD1 HIS 41 HD1 HIS 41 -5.817 16.222 -6.807 288 HD2 HIS 41 HD2 HIS 41 -2.758 17.940 -4.579 289 HE1 HIS 41 HE1 HIS 41 -6.699 18.452 -6.050 290 HE2 HIS 41 HE2 HIS 41 -4.794 19.518 -4.795 291 H ILE 42 H ILE 42 -3.918 11.900 -4.621 292 HA ILE 42 HA ILE 42 -1.384 10.796 -5.501 293 HB ILE 42 HB ILE 42 -3.825 9.465 -4.311 294 HG12 ILE 42 HG12 ILE 42 -2.142 8.975 -2.448 295 HG13 ILE 42 HG11 ILE 42 -1.096 10.159 -3.219 296 HG21 ILE 42 HG21 ILE 42 -1.181 8.237 -5.078 297 HG22 ILE 42 HG22 ILE 42 -2.738 7.934 -5.848 298 HG23 ILE 42 HG23 ILE 42 -2.467 7.427 -4.181 299 HD11 ILE 42 HD11 ILE 42 -2.309 11.130 -1.362 300 HD12 ILE 42 HD12 ILE 42 -3.842 10.682 -2.109 301 HD13 ILE 42 HD13 ILE 42 -2.799 11.875 -2.883 302 H SER 43 H SER 43 -1.025 10.184 -7.492 303 HA SER 43 HA SER 43 -3.086 10.228 -9.470 304 HB2 SER 43 HB2 SER 43 -0.207 9.330 -9.717 305 HB3 SER 43 HB1 SER 43 -1.277 9.801 -11.039 306 HG SER 43 HG SER 43 -1.060 11.862 -10.509 307 H LYS 44 H LYS 44 -1.338 7.740 -7.716 308 HA LYS 44 HA LYS 44 -3.257 5.754 -8.434 309 HB2 LYS 44 HB2 LYS 44 -1.669 4.201 -9.536 310 HB3 LYS 44 HB1 LYS 44 -1.984 5.647 -10.484 311 HG2 LYS 44 HG2 LYS 44 0.137 6.596 -9.799 312 HG3 LYS 44 HG1 LYS 44 0.448 5.200 -8.762 313 HD2 LYS 44 HD2 LYS 44 0.514 3.740 -10.686 314 HD3 LYS 44 HD1 LYS 44 0.077 5.074 -11.751 315 HE2 LYS 44 HE2 LYS 44 2.581 4.945 -10.082 316 HE3 LYS 44 HE1 LYS 44 2.491 4.539 -11.794 317 HZ1 LYS 44 HZ1 LYS 44 1.782 6.806 -12.252 318 HZ2 LYS 44 HZ2 LYS 44 3.284 6.787 -11.476 319 HZ3 LYS 44 HZ3 LYS 44 1.892 7.197 -10.612 320 H TYR 45 H TYR 45 -3.167 3.954 -7.144 321 HA TYR 45 HA TYR 45 -1.144 3.982 -4.996 322 HB2 TYR 45 HB2 TYR 45 -3.855 2.623 -5.051 323 HB3 TYR 45 HB1 TYR 45 -2.744 2.661 -3.690 324 HD1 TYR 45 HD1 TYR 45 -5.235 4.524 -5.593 325 HD2 TYR 45 HD2 TYR 45 -2.462 4.709 -2.374 326 HE1 TYR 45 HE1 TYR 45 -6.343 6.554 -4.761 327 HE2 TYR 45 HE2 TYR 45 -3.563 6.740 -1.535 328 HH TYR 45 HH TYR 45 -6.586 7.840 -2.780 329 H ILE 46 H ILE 46 0.352 2.392 -5.079 330 HA ILE 46 HA ILE 46 -0.218 0.091 -6.814 331 HB ILE 46 HB ILE 46 2.415 1.205 -5.838 332 HG12 ILE 46 HG12 ILE 46 2.845 1.227 -8.358 333 HG13 ILE 46 HG11 ILE 46 1.123 0.927 -8.553 334 HG21 ILE 46 HG21 ILE 46 3.528 -0.612 -7.015 335 HG22 ILE 46 HG22 ILE 46 1.965 -1.322 -7.420 336 HG23 ILE 46 HG23 ILE 46 2.486 -1.238 -5.737 337 HD11 ILE 46 HD11 ILE 46 1.617 3.274 -8.812 338 HD12 ILE 46 HD12 ILE 46 2.375 3.313 -7.221 339 HD13 ILE 46 HD13 ILE 46 0.643 3.014 -7.365 340 H LEU 47 H LEU 47 -0.766 -1.734 -5.903 341 HA LEU 47 HA LEU 47 -0.161 -2.203 -3.075 342 HB2 LEU 47 HB2 LEU 47 -2.479 -2.527 -4.321 343 HB3 LEU 47 HB1 LEU 47 -1.779 -4.060 -4.788 344 HG LEU 47 HG LEU 47 -3.208 -4.371 -2.873 345 HD11 LEU 47 HD11 LEU 47 -1.609 -5.315 -1.230 346 HD12 LEU 47 HD12 LEU 47 -0.296 -4.596 -2.163 347 HD13 LEU 47 HD13 LEU 47 -1.329 -5.825 -2.893 348 HD21 LEU 47 HD21 LEU 47 -1.478 -2.374 -1.429 349 HD22 LEU 47 HD22 LEU 47 -2.826 -3.284 -0.747 350 HD23 LEU 47 HD23 LEU 47 -3.119 -2.087 -2.009 351 H ARG 48 H ARG 48 1.724 -3.208 -2.708 352 HA ARG 48 HA ARG 48 2.507 -5.384 -4.539 353 HB2 ARG 48 HB2 ARG 48 4.214 -3.617 -2.786 354 HB3 ARG 48 HB1 ARG 48 4.814 -5.078 -3.551 355 HG2 ARG 48 HG2 ARG 48 4.225 -4.097 -5.748 356 HG3 ARG 48 HG1 ARG 48 3.786 -2.605 -4.913 357 HD2 ARG 48 HD2 ARG 48 6.065 -2.453 -4.016 358 HD3 ARG 48 HD1 ARG 48 6.497 -3.924 -4.887 359 HE ARG 48 HE ARG 48 5.457 -1.747 -6.496 360 HH11 ARG 48 HH11 ARG 48 8.280 -3.417 -5.276 361 HH12 ARG 48 HH12 ARG 48 9.332 -2.800 -6.507 362 HH21 ARG 48 HH21 ARG 48 6.847 -0.914 -8.111 363 HH22 ARG 48 HH22 ARG 48 8.523 -1.367 -8.109 364 H TRP 49 H TRP 49 2.819 -7.395 -3.711 365 HA TRP 49 HA TRP 49 2.895 -7.716 -0.817 366 HB2 TRP 49 HB2 TRP 49 1.155 -9.427 -0.816 367 HB3 TRP 49 HB1 TRP 49 0.518 -7.893 -1.386 368 HD1 TRP 49 HD1 TRP 49 0.906 -11.488 -2.368 369 HE1 TRP 49 HE1 TRP 49 -0.145 -11.877 -4.685 370 HE3 TRP 49 HE3 TRP 49 0.199 -6.624 -3.759 371 HZ2 TRP 49 HZ2 TRP 49 -1.139 -10.318 -6.821 372 HZ3 TRP 49 HZ3 TRP 49 -0.808 -6.157 -5.952 373 HH2 TRP 49 HH2 TRP 49 -1.458 -7.964 -7.451 374 H ARG 50 H ARG 50 3.612 -9.810 -0.133 375 HA ARG 50 HA ARG 50 4.822 -11.531 -2.146 376 HB2 ARG 50 HB2 ARG 50 6.533 -9.794 -1.641 377 HB3 ARG 50 HB1 ARG 50 6.463 -10.253 0.055 378 HG2 ARG 50 HG2 ARG 50 7.080 -12.606 -0.764 379 HG3 ARG 50 HG1 ARG 50 7.544 -11.805 -2.267 380 HD2 ARG 50 HD2 ARG 50 9.488 -12.025 -0.874 381 HD3 ARG 50 HD1 ARG 50 9.036 -10.321 -0.951 382 HE ARG 50 HE ARG 50 7.817 -11.500 1.288 383 HH11 ARG 50 HH11 ARG 50 11.002 -10.619 0.155 384 HH12 ARG 50 HH12 ARG 50 11.622 -10.311 1.748 385 HH21 ARG 50 HH21 ARG 50 8.637 -11.104 3.385 386 HH22 ARG 50 HH22 ARG 50 10.281 -10.595 3.583 387 HA PRO 51 HA PRO 51 3.570 -14.542 0.934 388 HB2 PRO 51 HB2 PRO 51 5.009 -16.638 -0.112 389 HB3 PRO 51 HB1 PRO 51 3.419 -16.138 -0.696 390 HG2 PRO 51 HG2 PRO 51 6.122 -15.548 -1.806 391 HG3 PRO 51 HG1 PRO 51 4.613 -15.912 -2.661 392 HD2 PRO 51 HD2 PRO 51 5.588 -13.399 -2.432 393 HD3 PRO 51 HD1 PRO 51 3.847 -13.744 -2.487 394 H LYS 52 H LYS 52 4.403 -14.699 2.888 395 HA LYS 52 HA LYS 52 7.163 -14.085 3.404 396 HB2 LYS 52 HB2 LYS 52 4.669 -14.277 4.869 397 HB3 LYS 52 HB1 LYS 52 6.010 -14.960 5.775 398 HG2 LYS 52 HG2 LYS 52 6.036 -12.207 4.572 399 HG3 LYS 52 HG1 LYS 52 5.556 -12.559 6.235 400 HD2 LYS 52 HD2 LYS 52 7.776 -13.605 6.595 401 HD3 LYS 52 HD1 LYS 52 8.242 -13.100 4.970 402 HE2 LYS 52 HE2 LYS 52 9.083 -11.552 6.664 403 HE3 LYS 52 HE1 LYS 52 7.928 -10.766 5.593 404 HZ1 LYS 52 HZ1 LYS 52 6.269 -10.826 7.252 405 HZ2 LYS 52 HZ2 LYS 52 7.673 -10.280 8.023 406 HZ3 LYS 52 HZ3 LYS 52 7.168 -11.878 8.232 407 H ASN 53 H ASN 53 5.206 -16.935 3.248 408 HA ASN 53 HA ASN 53 6.700 -18.670 4.862 409 HB2 ASN 53 HB2 ASN 53 5.547 -20.480 3.593 410 HB3 ASN 53 HB1 ASN 53 4.454 -19.240 4.195 411 HD21 ASN 53 HD21 ASN 53 4.161 -21.132 1.987 412 HD22 ASN 53 HD22 ASN 53 3.840 -20.165 0.591 413 H SER 54 H SER 54 7.021 -17.819 1.466 414 HA SER 54 HA SER 54 9.488 -19.429 1.364 415 HB2 SER 54 HB2 SER 54 7.752 -18.506 -0.942 416 HB3 SER 54 HB1 SER 54 9.174 -19.544 -1.056 417 HG SER 54 HG SER 54 7.837 -20.864 0.575 418 H VAL 55 H VAL 55 10.826 -18.329 -0.708 419 HA VAL 55 HA VAL 55 11.794 -15.877 0.225 420 HB VAL 55 HB VAL 55 13.190 -17.256 -1.174 421 HG11 VAL 55 HG11 VAL 55 12.778 -17.617 -3.543 422 HG12 VAL 55 HG12 VAL 55 11.247 -16.751 -3.422 423 HG13 VAL 55 HG13 VAL 55 11.463 -18.279 -2.573 424 HG21 VAL 55 HG21 VAL 55 14.001 -15.608 -2.760 425 HG22 VAL 55 HG22 VAL 55 13.575 -14.855 -1.226 426 HG23 VAL 55 HG23 VAL 55 12.495 -14.708 -2.609 427 H GLY 56 H GLY 56 9.626 -16.612 -2.507 428 HA2 GLY 56 HA2 GLY 56 7.730 -15.495 -3.153 429 HA3 GLY 56 HA1 GLY 56 7.978 -14.383 -1.819 430 H ARG 57 H ARG 57 7.154 -13.906 -4.563 431 HA ARG 57 HA ARG 57 9.245 -11.952 -5.274 432 HB2 ARG 57 HB2 ARG 57 7.153 -13.184 -7.083 433 HB3 ARG 57 HB1 ARG 57 8.379 -12.021 -7.565 434 HG2 ARG 57 HG2 ARG 57 10.124 -13.647 -7.059 435 HG3 ARG 57 HG1 ARG 57 8.895 -14.816 -6.571 436 HD2 ARG 57 HD2 ARG 57 7.942 -14.728 -8.834 437 HD3 ARG 57 HD1 ARG 57 9.204 -13.593 -9.310 438 HE ARG 57 HE ARG 57 10.311 -15.984 -8.243 439 HH11 ARG 57 HH11 ARG 57 8.787 -14.662 -11.095 440 HH12 ARG 57 HH12 ARG 57 9.565 -15.766 -12.183 441 HH21 ARG 57 HH21 ARG 57 11.339 -17.454 -9.678 442 HH22 ARG 57 HH22 ARG 57 11.028 -17.344 -11.381 443 H TRP 58 H TRP 58 8.617 -9.832 -5.415 444 HA TRP 58 HA TRP 58 6.073 -9.138 -4.291 445 HB2 TRP 58 HB2 TRP 58 8.297 -7.445 -5.445 446 HB3 TRP 58 HB1 TRP 58 6.825 -6.776 -4.747 447 HD1 TRP 58 HD1 TRP 58 10.168 -8.277 -3.793 448 HE1 TRP 58 HE1 TRP 58 10.463 -8.119 -1.241 449 HE3 TRP 58 HE3 TRP 58 5.439 -6.818 -2.508 450 HZ2 TRP 58 HZ2 TRP 58 8.905 -7.467 1.014 451 HZ3 TRP 58 HZ3 TRP 58 4.925 -6.451 -0.130 452 HH2 TRP 58 HH2 TRP 58 6.623 -6.770 1.593 453 H LYS 59 H LYS 59 4.255 -8.811 -5.330 454 HA LYS 59 HA LYS 59 4.317 -8.484 -8.247 455 HB2 LYS 59 HB2 LYS 59 2.083 -9.323 -6.391 456 HB3 LYS 59 HB1 LYS 59 1.897 -9.087 -8.123 457 HG2 LYS 59 HG2 LYS 59 3.523 -10.868 -8.537 458 HG3 LYS 59 HG1 LYS 59 3.697 -11.107 -6.799 459 HD2 LYS 59 HD2 LYS 59 2.186 -12.754 -7.825 460 HD3 LYS 59 HD1 LYS 59 1.369 -11.756 -6.623 461 HE2 LYS 59 HE2 LYS 59 0.013 -12.114 -8.655 462 HE3 LYS 59 HE1 LYS 59 0.364 -10.415 -8.362 463 HZ1 LYS 59 HZ1 LYS 59 1.806 -12.154 -10.286 464 HZ2 LYS 59 HZ2 LYS 59 2.089 -10.507 -10.032 465 HZ3 LYS 59 HZ3 LYS 59 0.621 -11.015 -10.691 466 H GLU 60 H GLU 60 3.223 -6.761 -9.236 467 HA GLU 60 HA GLU 60 2.522 -4.592 -7.371 468 HB2 GLU 60 HB2 GLU 60 3.525 -4.330 -10.215 469 HB3 GLU 60 HB1 GLU 60 3.124 -3.002 -9.141 470 HG2 GLU 60 HG2 GLU 60 5.430 -3.085 -9.071 471 HG3 GLU 60 HG1 GLU 60 4.950 -3.949 -7.613 472 H ALA 61 H ALA 61 0.464 -4.103 -7.307 473 HA ALA 61 HA ALA 61 -1.107 -4.321 -9.792 474 HB1 ALA 61 HB1 ALA 61 -2.085 -4.430 -6.938 475 HB2 ALA 61 HB2 ALA 61 -1.945 -5.801 -8.038 476 HB3 ALA 61 HB3 ALA 61 -3.099 -4.512 -8.378 477 H THR 62 H THR 62 -1.427 -2.392 -10.689 478 HA THR 62 HA THR 62 -1.195 -0.001 -9.047 479 HB THR 62 HB THR 62 -1.512 -0.247 -12.046 480 HG1 THR 62 HG1 THR 62 0.489 -1.082 -10.971 481 HG21 THR 62 HG21 THR 62 -2.250 1.922 -11.165 482 HG22 THR 62 HG22 THR 62 -0.759 2.080 -12.093 483 HG23 THR 62 HG23 THR 62 -0.708 2.105 -10.330 484 H ILE 63 H ILE 63 -2.907 0.880 -8.169 485 HA ILE 63 HA ILE 63 -5.533 0.527 -9.455 486 HB ILE 63 HB ILE 63 -4.922 1.237 -6.575 487 HG12 ILE 63 HG12 ILE 63 -6.208 -1.080 -6.344 488 HG13 ILE 63 HG11 ILE 63 -5.522 -1.349 -7.939 489 HG21 ILE 63 HG21 ILE 63 -7.307 0.971 -6.191 490 HG22 ILE 63 HG22 ILE 63 -7.555 0.619 -7.900 491 HG23 ILE 63 HG23 ILE 63 -7.005 2.218 -7.402 492 HD11 ILE 63 HD11 ILE 63 -4.117 -2.295 -6.206 493 HD12 ILE 63 HD12 ILE 63 -3.974 -0.713 -5.438 494 HD13 ILE 63 HD13 ILE 63 -3.285 -0.982 -7.040 495 HA PRO 64 HA PRO 64 -5.383 4.854 -10.659 496 HB2 PRO 64 HB2 PRO 64 -8.327 4.424 -10.301 497 HB3 PRO 64 HB1 PRO 64 -7.457 5.208 -11.627 498 HG2 PRO 64 HG2 PRO 64 -8.387 2.742 -11.917 499 HG3 PRO 64 HG1 PRO 64 -6.799 3.186 -12.567 500 HD2 PRO 64 HD2 PRO 64 -7.477 1.570 -10.159 501 HD3 PRO 64 HD1 PRO 64 -6.102 1.422 -11.271 502 H GLY 65 H GLY 65 -5.597 6.815 -9.625 503 HA2 GLY 65 HA2 GLY 65 -5.430 6.699 -6.813 504 HA3 GLY 65 HA1 GLY 65 -5.447 8.161 -7.780 505 H HIS 66 H HIS 66 -8.218 6.698 -8.638 506 HA HIS 66 HA HIS 66 -9.709 8.170 -6.587 507 HB2 HIS 66 HB2 HIS 66 -11.600 8.148 -8.207 508 HB3 HIS 66 HB1 HIS 66 -10.179 9.004 -8.785 509 HD1 HIS 66 HD1 HIS 66 -9.109 8.181 -10.922 510 HD2 HIS 66 HD2 HIS 66 -12.092 5.647 -9.524 511 HE1 HIS 66 HE1 HIS 66 -9.538 6.545 -12.784 512 HE2 HIS 66 HE2 HIS 66 -11.428 5.095 -11.961 513 H LEU 67 H LEU 67 -8.665 5.234 -6.720 514 HA LEU 67 HA LEU 67 -11.202 4.083 -5.747 515 HB2 LEU 67 HB2 LEU 67 -8.830 2.570 -6.837 516 HB3 LEU 67 HB1 LEU 67 -10.319 1.864 -6.249 517 HG LEU 67 HG LEU 67 -9.979 3.540 -8.731 518 HD11 LEU 67 HD11 LEU 67 -9.160 1.285 -8.979 519 HD12 LEU 67 HD12 LEU 67 -10.666 1.479 -9.871 520 HD13 LEU 67 HD13 LEU 67 -10.661 0.639 -8.321 521 HD21 LEU 67 HD21 LEU 67 -12.352 3.073 -9.150 522 HD22 LEU 67 HD22 LEU 67 -12.122 4.040 -7.695 523 HD23 LEU 67 HD23 LEU 67 -12.477 2.318 -7.562 524 H ASN 68 H ASN 68 -11.089 2.815 -3.831 525 HA ASN 68 HA ASN 68 -8.651 3.251 -2.243 526 HB2 ASN 68 HB2 ASN 68 -11.507 3.589 -1.298 527 HB3 ASN 68 HB1 ASN 68 -10.094 3.640 -0.255 528 HD21 ASN 68 HD21 ASN 68 -8.499 5.124 -2.257 529 HD22 ASN 68 HD22 ASN 68 -9.113 6.735 -2.237 530 H SER 69 H SER 69 -9.868 0.874 -3.711 531 HA SER 69 HA SER 69 -9.211 -1.003 -1.649 532 HB2 SER 69 HB2 SER 69 -11.367 -2.295 -1.885 533 HB3 SER 69 HB1 SER 69 -11.508 -0.761 -1.027 534 HG SER 69 HG SER 69 -12.177 0.138 -3.103 535 H TYR 70 H TYR 70 -8.598 -2.979 -2.410 536 HA TYR 70 HA TYR 70 -8.956 -3.541 -5.268 537 HB2 TYR 70 HB2 TYR 70 -6.749 -2.534 -5.083 538 HB3 TYR 70 HB1 TYR 70 -6.329 -3.616 -3.763 539 HD1 TYR 70 HD1 TYR 70 -5.143 -5.551 -4.234 540 HD2 TYR 70 HD2 TYR 70 -7.374 -3.704 -7.346 541 HE1 TYR 70 HE1 TYR 70 -4.229 -7.171 -5.842 542 HE2 TYR 70 HE2 TYR 70 -6.465 -5.318 -8.963 543 HH TYR 70 HH TYR 70 -4.771 -8.128 -7.997 544 H THR 71 H THR 71 -9.197 -5.703 -5.748 545 HA THR 71 HA THR 71 -9.346 -7.519 -3.453 546 HB THR 71 HB THR 71 -10.330 -8.016 -6.269 547 HG1 THR 71 HG1 THR 71 -11.297 -6.179 -4.955 548 HG21 THR 71 HG21 THR 71 -11.716 -9.733 -5.197 549 HG22 THR 71 HG22 THR 71 -11.001 -9.336 -3.635 550 HG23 THR 71 HG23 THR 71 -10.000 -10.029 -4.911 551 H ILE 72 H ILE 72 -7.411 -8.448 -3.081 552 HA ILE 72 HA ILE 72 -5.610 -9.106 -5.255 553 HB ILE 72 HB ILE 72 -5.309 -9.913 -2.362 554 HG12 ILE 72 HG12 ILE 72 -4.315 -7.389 -3.708 555 HG13 ILE 72 HG11 ILE 72 -5.591 -7.467 -2.496 556 HG21 ILE 72 HG21 ILE 72 -3.321 -9.567 -4.603 557 HG22 ILE 72 HG22 ILE 72 -3.866 -11.093 -3.907 558 HG23 ILE 72 HG23 ILE 72 -2.916 -9.970 -2.935 559 HD11 ILE 72 HD11 ILE 72 -2.661 -8.004 -2.145 560 HD12 ILE 72 HD12 ILE 72 -3.867 -8.466 -0.947 561 HD13 ILE 72 HD13 ILE 72 -3.651 -6.762 -1.365 562 H LYS 73 H LYS 73 -5.834 -10.918 -6.392 563 HA LYS 73 HA LYS 73 -7.199 -13.195 -5.121 564 HB2 LYS 73 HB2 LYS 73 -6.951 -12.536 -8.065 565 HB3 LYS 73 HB1 LYS 73 -7.831 -13.899 -7.384 566 HG2 LYS 73 HG2 LYS 73 -9.318 -12.328 -6.216 567 HG3 LYS 73 HG1 LYS 73 -8.463 -10.985 -6.973 568 HD2 LYS 73 HD2 LYS 73 -9.116 -11.837 -9.184 569 HD3 LYS 73 HD1 LYS 73 -9.996 -13.155 -8.405 570 HE2 LYS 73 HE2 LYS 73 -11.400 -11.489 -7.249 571 HE3 LYS 73 HE1 LYS 73 -10.554 -10.206 -8.109 572 HZ1 LYS 73 HZ1 LYS 73 -12.176 -12.353 -9.364 573 HZ2 LYS 73 HZ2 LYS 73 -11.363 -11.124 -10.193 574 HZ3 LYS 73 HZ3 LYS 73 -12.650 -10.741 -9.165 575 H GLY 74 H GLY 74 -6.138 -15.057 -4.887 576 HA2 GLY 74 HA2 GLY 74 -4.570 -16.697 -5.808 577 HA3 GLY 74 HA1 GLY 74 -3.546 -15.346 -6.277 578 H LEU 75 H LEU 75 -5.167 -15.302 -3.224 579 HA LEU 75 HA LEU 75 -2.581 -15.618 -1.865 580 HB2 LEU 75 HB2 LEU 75 -5.162 -14.373 -0.913 581 HB3 LEU 75 HB1 LEU 75 -3.707 -14.513 0.049 582 HG LEU 75 HG LEU 75 -3.982 -12.875 -2.475 583 HD11 LEU 75 HD11 LEU 75 -5.235 -11.929 -0.648 584 HD12 LEU 75 HD12 LEU 75 -3.789 -10.968 -0.952 585 HD13 LEU 75 HD13 LEU 75 -3.841 -12.075 0.420 586 HD21 LEU 75 HD21 LEU 75 -1.689 -13.159 -0.536 587 HD22 LEU 75 HD22 LEU 75 -1.775 -11.995 -1.858 588 HD23 LEU 75 HD23 LEU 75 -1.721 -13.722 -2.207 589 H LYS 76 H LYS 76 -2.276 -17.183 -0.343 590 HA LYS 76 HA LYS 76 -4.371 -19.208 -0.108 591 HB2 LYS 76 HB2 LYS 76 -1.519 -19.258 0.903 592 HB3 LYS 76 HB1 LYS 76 -2.631 -20.618 0.858 593 HG2 LYS 76 HG2 LYS 76 -2.633 -20.563 -1.570 594 HG3 LYS 76 HG1 LYS 76 -1.565 -19.157 -1.549 595 HD2 LYS 76 HD2 LYS 76 0.130 -20.513 -0.361 596 HD3 LYS 76 HD1 LYS 76 -0.930 -21.917 -0.503 597 HE2 LYS 76 HE2 LYS 76 0.226 -20.338 -2.799 598 HE3 LYS 76 HE1 LYS 76 0.807 -21.901 -2.230 599 HZ1 LYS 76 HZ1 LYS 76 -1.368 -22.841 -2.788 600 HZ2 LYS 76 HZ2 LYS 76 -0.603 -22.179 -4.141 601 HZ3 LYS 76 HZ3 LYS 76 -1.867 -21.343 -3.394 602 HA PRO 77 HA PRO 77 -5.519 -17.519 3.915 603 HB2 PRO 77 HB2 PRO 77 -6.965 -20.102 4.075 604 HB3 PRO 77 HB1 PRO 77 -7.576 -18.457 4.278 605 HG2 PRO 77 HG2 PRO 77 -8.134 -19.863 2.079 606 HG3 PRO 77 HG1 PRO 77 -7.813 -18.120 1.998 607 HD2 PRO 77 HD2 PRO 77 -6.016 -20.416 1.308 608 HD3 PRO 77 HD1 PRO 77 -6.235 -18.863 0.473 609 H GLY 78 H GLY 78 -4.437 -17.734 5.776 610 HA2 GLY 78 HA2 GLY 78 -3.644 -19.024 7.629 611 HA3 GLY 78 HA1 GLY 78 -3.418 -20.385 6.538 612 H VAL 79 H VAL 79 -2.212 -18.632 4.502 613 HA VAL 79 HA VAL 79 0.502 -18.671 5.533 614 HB VAL 79 HB VAL 79 -0.565 -18.046 2.768 615 HG11 VAL 79 HG11 VAL 79 2.271 -18.454 3.695 616 HG12 VAL 79 HG12 VAL 79 1.567 -16.938 3.129 617 HG13 VAL 79 HG13 VAL 79 1.751 -18.299 2.018 618 HG21 VAL 79 HG21 VAL 79 0.757 -20.514 3.875 619 HG22 VAL 79 HG22 VAL 79 0.367 -20.242 2.178 620 HG23 VAL 79 HG23 VAL 79 -0.927 -20.359 3.372 621 H VAL 80 H VAL 80 1.655 -16.879 6.066 622 HA VAL 80 HA VAL 80 0.185 -14.393 6.199 623 HB VAL 80 HB VAL 80 2.104 -13.524 7.481 624 HG11 VAL 80 HG11 VAL 80 1.834 -14.973 9.437 625 HG12 VAL 80 HG12 VAL 80 1.106 -16.211 8.415 626 HG13 VAL 80 HG13 VAL 80 0.292 -14.662 8.638 627 HG21 VAL 80 HG21 VAL 80 3.979 -14.612 6.569 628 HG22 VAL 80 HG22 VAL 80 3.292 -16.206 6.852 629 HG23 VAL 80 HG23 VAL 80 3.832 -15.227 8.214 630 H TYR 81 H TYR 81 0.576 -12.562 5.092 631 HA TYR 81 HA TYR 81 2.724 -12.606 3.077 632 HB2 TYR 81 HB2 TYR 81 -0.114 -11.611 2.739 633 HB3 TYR 81 HB1 TYR 81 1.176 -11.342 1.575 634 HD1 TYR 81 HD1 TYR 81 -1.193 -13.761 2.936 635 HD2 TYR 81 HD2 TYR 81 2.033 -13.186 0.227 636 HE1 TYR 81 HE1 TYR 81 -1.755 -15.882 1.827 637 HE2 TYR 81 HE2 TYR 81 1.482 -15.306 -0.887 638 HH TYR 81 HH TYR 81 0.335 -17.411 -0.367 639 H GLU 82 H GLU 82 3.525 -10.546 2.456 640 HA GLU 82 HA GLU 82 3.120 -8.441 4.469 641 HB2 GLU 82 HB2 GLU 82 5.318 -8.817 2.420 642 HB3 GLU 82 HB1 GLU 82 5.215 -7.471 3.545 643 HG2 GLU 82 HG2 GLU 82 5.497 -10.361 4.321 644 HG3 GLU 82 HG1 GLU 82 6.814 -9.195 4.247 645 H GLY 83 H GLY 83 2.437 -6.400 3.854 646 HA2 GLY 83 HA2 GLY 83 1.679 -6.128 1.011 647 HA3 GLY 83 HA1 GLY 83 0.602 -5.658 2.318 648 H GLN 84 H GLN 84 2.338 -4.357 0.030 649 HA GLN 84 HA GLN 84 3.124 -2.039 1.677 650 HB2 GLN 84 HB2 GLN 84 4.400 -2.856 -0.939 651 HB3 GLN 84 HB1 GLN 84 4.927 -1.577 0.144 652 HG2 GLN 84 HG2 GLN 84 4.962 -4.522 0.759 653 HG3 GLN 84 HG1 GLN 84 6.354 -3.549 0.288 654 HE21 GLN 84 HE21 GLN 84 5.809 -5.101 2.714 655 HE22 GLN 84 HE22 GLN 84 5.985 -3.999 4.031 656 H LEU 85 H LEU 85 1.705 -0.453 1.337 657 HA LEU 85 HA LEU 85 0.449 -0.215 -1.304 658 HB2 LEU 85 HB2 LEU 85 -0.939 -0.320 0.813 659 HB3 LEU 85 HB1 LEU 85 -0.274 1.239 1.245 660 HG LEU 85 HG LEU 85 -2.616 1.183 0.211 661 HD11 LEU 85 HD11 LEU 85 -2.281 3.252 -1.001 662 HD12 LEU 85 HD12 LEU 85 -0.546 2.949 -1.074 663 HD13 LEU 85 HD13 LEU 85 -1.328 3.237 0.482 664 HD21 LEU 85 HD21 LEU 85 -2.061 -0.393 -1.604 665 HD22 LEU 85 HD22 LEU 85 -1.031 0.840 -2.331 666 HD23 LEU 85 HD23 LEU 85 -2.768 1.109 -2.195 667 H ILE 86 H ILE 86 1.781 0.907 -2.599 668 HA ILE 86 HA ILE 86 3.189 3.245 -1.529 669 HB ILE 86 HB ILE 86 3.502 2.030 -4.282 670 HG12 ILE 86 HG12 ILE 86 5.779 1.298 -3.186 671 HG13 ILE 86 HG11 ILE 86 4.867 1.401 -1.687 672 HG21 ILE 86 HG21 ILE 86 4.202 4.359 -4.104 673 HG22 ILE 86 HG22 ILE 86 5.591 3.298 -4.340 674 HG23 ILE 86 HG23 ILE 86 5.242 3.950 -2.738 675 HD11 ILE 86 HD11 ILE 86 4.932 -0.868 -2.564 676 HD12 ILE 86 HD12 ILE 86 4.156 -0.317 -4.050 677 HD13 ILE 86 HD13 ILE 86 3.285 -0.238 -2.519 678 H SER 87 H SER 87 2.029 5.048 -1.594 679 HA SER 87 HA SER 87 0.139 5.502 -3.766 680 HB2 SER 87 HB2 SER 87 0.770 7.266 -1.393 681 HB3 SER 87 HB1 SER 87 -0.627 7.390 -2.459 682 HG SER 87 HG SER 87 -0.030 5.139 -0.838 683 H ILE 88 H ILE 88 0.797 6.457 -5.570 684 HA ILE 88 HA ILE 88 3.223 8.100 -5.525 685 HB ILE 88 HB ILE 88 1.638 7.160 -7.922 686 HG12 ILE 88 HG12 ILE 88 2.534 5.249 -6.668 687 HG13 ILE 88 HG11 ILE 88 3.372 5.445 -8.203 688 HG21 ILE 88 HG21 ILE 88 4.425 8.290 -7.703 689 HG22 ILE 88 HG22 ILE 88 3.012 9.137 -8.331 690 HG23 ILE 88 HG23 ILE 88 3.649 7.731 -9.185 691 HD11 ILE 88 HD11 ILE 88 4.390 6.278 -5.499 692 HD12 ILE 88 HD12 ILE 88 5.231 6.521 -7.029 693 HD13 ILE 88 HD13 ILE 88 4.925 4.887 -6.443 694 H GLN 89 H GLN 89 2.932 10.203 -5.206 695 HA GLN 89 HA GLN 89 0.412 11.456 -5.932 696 HB2 GLN 89 HB2 GLN 89 2.867 12.550 -4.553 697 HB3 GLN 89 HB1 GLN 89 1.401 13.474 -4.854 698 HG2 GLN 89 HG2 GLN 89 0.131 11.999 -3.430 699 HG3 GLN 89 HG1 GLN 89 1.544 10.968 -3.196 700 HE21 GLN 89 HE21 GLN 89 1.498 11.261 -0.969 701 HE22 GLN 89 HE22 GLN 89 1.990 12.743 -0.229 702 H GLN 90 H GLN 90 0.401 13.516 -7.100 703 HA GLN 90 HA GLN 90 1.551 13.354 -9.629 704 HB2 GLN 90 HB2 GLN 90 0.606 15.833 -8.186 705 HB3 GLN 90 HB1 GLN 90 0.841 15.688 -9.921 706 HG2 GLN 90 HG2 GLN 90 -0.921 14.020 -10.038 707 HG3 GLN 90 HG1 GLN 90 -1.141 14.116 -8.292 708 HE21 GLN 90 HE21 GLN 90 -0.744 17.020 -8.259 709 HE22 GLN 90 HE22 GLN 90 -2.201 17.703 -8.880 710 H TYR 91 H TYR 91 2.735 14.832 -6.707 711 HA TYR 91 HA TYR 91 4.784 16.373 -8.026 712 HB2 TYR 91 HB2 TYR 91 4.350 15.852 -5.079 713 HB3 TYR 91 HB1 TYR 91 5.403 17.078 -5.772 714 HD1 TYR 91 HD1 TYR 91 4.510 19.151 -6.601 715 HD2 TYR 91 HD2 TYR 91 1.908 16.087 -5.209 716 HE1 TYR 91 HE1 TYR 91 2.642 20.751 -6.585 717 HE2 TYR 91 HE2 TYR 91 0.035 17.675 -5.195 718 HH TYR 91 HH TYR 91 -0.321 20.087 -5.049 719 H GLY 92 H GLY 92 4.613 13.223 -7.759 720 HA2 GLY 92 HA2 GLY 92 6.267 11.630 -8.037 721 HA3 GLY 92 HA1 GLY 92 7.470 12.892 -7.815 722 H HIS 93 H HIS 93 5.159 12.810 -5.344 723 HA HIS 93 HA HIS 93 7.116 11.789 -3.476 724 HB2 HIS 93 HB2 HIS 93 4.459 13.130 -3.218 725 HB3 HIS 93 HB1 HIS 93 5.041 12.160 -1.872 726 HD1 HIS 93 HD1 HIS 93 7.148 13.013 -0.617 727 HD2 HIS 93 HD2 HIS 93 5.758 15.564 -3.588 728 HE1 HIS 93 HE1 HIS 93 8.294 15.213 -0.211 729 HE2 HIS 93 HE2 HIS 93 7.254 16.788 -1.874 730 H GLN 94 H GLN 94 7.222 9.778 -2.752 731 HA GLN 94 HA GLN 94 4.966 7.985 -3.324 732 HB2 GLN 94 HB2 GLN 94 7.861 7.345 -2.712 733 HB3 GLN 94 HB1 GLN 94 6.604 6.149 -2.991 734 HG2 GLN 94 HG2 GLN 94 6.294 7.057 -5.262 735 HG3 GLN 94 HG1 GLN 94 7.628 8.169 -4.968 736 HE21 GLN 94 HE21 GLN 94 8.802 7.294 -6.664 737 HE22 GLN 94 HE22 GLN 94 9.578 5.753 -6.552 738 H GLU 95 H GLU 95 3.701 7.545 -1.676 739 HA GLU 95 HA GLU 95 4.857 7.531 1.032 740 HB2 GLU 95 HB2 GLU 95 2.033 8.070 0.106 741 HB3 GLU 95 HB1 GLU 95 2.476 7.845 1.791 742 HG2 GLU 95 HG2 GLU 95 3.557 10.003 -0.010 743 HG3 GLU 95 HG1 GLU 95 2.258 10.210 1.163 744 H VAL 96 H VAL 96 5.186 5.559 1.774 745 HA VAL 96 HA VAL 96 3.601 3.361 0.630 746 HB VAL 96 HB VAL 96 6.347 3.191 1.876 747 HG11 VAL 96 HG11 VAL 96 5.118 1.118 2.048 748 HG12 VAL 96 HG12 VAL 96 6.391 0.955 0.838 749 HG13 VAL 96 HG13 VAL 96 4.717 1.180 0.333 750 HG21 VAL 96 HG21 VAL 96 6.495 4.477 -0.161 751 HG22 VAL 96 HG22 VAL 96 5.548 3.273 -1.033 752 HG23 VAL 96 HG23 VAL 96 7.160 2.868 -0.441 753 H THR 97 H THR 97 2.043 2.803 1.992 754 HA THR 97 HA THR 97 2.518 2.849 4.865 755 HB THR 97 HB THR 97 -0.006 2.005 3.431 756 HG1 THR 97 HG1 THR 97 -0.526 4.317 4.262 757 HG21 THR 97 HG21 THR 97 0.125 1.312 5.764 758 HG22 THR 97 HG22 THR 97 -1.061 2.604 5.580 759 HG23 THR 97 HG23 THR 97 0.531 2.958 6.249 760 H ARG 98 H ARG 98 3.399 1.136 5.789 761 HA ARG 98 HA ARG 98 3.426 -1.414 4.411 762 HB2 ARG 98 HB2 ARG 98 4.706 -0.610 7.031 763 HB3 ARG 98 HB1 ARG 98 5.009 -2.099 6.147 764 HG2 ARG 98 HG2 ARG 98 5.860 -0.718 4.253 765 HG3 ARG 98 HG1 ARG 98 5.706 0.700 5.291 766 HD2 ARG 98 HD2 ARG 98 7.994 -0.165 5.289 767 HD3 ARG 98 HD1 ARG 98 7.259 -0.282 6.887 768 HE ARG 98 HE ARG 98 6.996 -2.643 6.533 769 HH11 ARG 98 HH11 ARG 98 9.020 -1.006 4.178 770 HH12 ARG 98 HH12 ARG 98 9.825 -2.461 3.682 771 HH21 ARG 98 HH21 ARG 98 8.053 -4.545 5.879 772 HH22 ARG 98 HH22 ARG 98 9.272 -4.473 4.645 773 H PHE 99 H PHE 99 2.291 -3.169 4.945 774 HA PHE 99 HA PHE 99 1.095 -3.449 7.564 775 HB2 PHE 99 HB2 PHE 99 -1.194 -3.708 6.753 776 HB3 PHE 99 HB1 PHE 99 -0.593 -2.105 6.352 777 HD1 PHE 99 HD1 PHE 99 0.274 -1.738 3.968 778 HD2 PHE 99 HD2 PHE 99 -2.095 -5.080 5.113 779 HE1 PHE 99 HE1 PHE 99 -0.355 -2.094 1.618 780 HE2 PHE 99 HE2 PHE 99 -2.726 -5.443 2.764 781 HZ PHE 99 HZ PHE 99 -1.855 -3.948 1.014 782 H ASP 100 H ASP 100 -0.348 -5.593 7.438 783 HA ASP 100 HA ASP 100 0.793 -7.497 5.554 784 HB2 ASP 100 HB2 ASP 100 1.652 -8.992 7.158 785 HB3 ASP 100 HB1 ASP 100 2.209 -7.417 7.698 786 H PHE 101 H PHE 101 -0.438 -9.460 5.407 787 HA PHE 101 HA PHE 101 -2.996 -9.489 6.796 788 HB2 PHE 101 HB2 PHE 101 -4.185 -9.847 4.581 789 HB3 PHE 101 HB1 PHE 101 -3.636 -8.210 4.910 790 HD1 PHE 101 HD1 PHE 101 -3.143 -11.192 2.848 791 HD2 PHE 101 HD2 PHE 101 -1.862 -7.209 3.624 792 HE1 PHE 101 HE1 PHE 101 -1.954 -11.154 0.694 793 HE2 PHE 101 HE2 PHE 101 -0.675 -7.166 1.472 794 HZ PHE 101 HZ PHE 101 -0.722 -9.140 0.004 795 H THR 102 H THR 102 -4.075 -11.482 6.735 796 HA THR 102 HA THR 102 -2.809 -13.749 5.431 797 HB THR 102 HB THR 102 -3.174 -13.682 8.436 798 HG1 THR 102 HG1 THR 102 -1.109 -12.902 6.853 799 HG21 THR 102 HG21 THR 102 -3.522 -15.903 7.481 800 HG22 THR 102 HG22 THR 102 -2.014 -15.844 8.395 801 HG23 THR 102 HG23 THR 102 -1.979 -15.790 6.632 802 H THR 103 H THR 103 -5.146 -13.023 8.024 803 HA THR 103 HA THR 103 -7.354 -13.956 6.419 804 HB THR 103 HB THR 103 -6.547 -15.479 8.912 805 HG1 THR 103 HG1 THR 103 -6.048 -15.852 6.308 806 HG21 THR 103 HG21 THR 103 -8.551 -16.826 8.572 807 HG22 THR 103 HG22 THR 103 -9.018 -15.813 7.209 808 HG23 THR 103 HG23 THR 103 -8.981 -15.137 8.836 809 H THR 104 H THR 104 -6.414 -13.331 9.807 810 HA THR 104 HA THR 104 -8.924 -11.888 10.196 811 HB THR 104 HB THR 104 -6.880 -12.472 12.333 812 HG1 THR 104 HG1 THR 104 -7.318 -14.516 11.991 813 HG21 THR 104 HG21 THR 104 -8.674 -10.909 12.910 814 HG22 THR 104 HG22 THR 104 -8.854 -12.423 13.797 815 HG23 THR 104 HG23 THR 104 -9.879 -12.092 12.400 816 H SER 105 H SER 105 -7.777 -10.277 8.648 817 HA SER 105 HA SER 105 -5.896 -8.514 9.947 818 HB2 SER 105 HB2 SER 105 -5.807 -8.886 7.506 819 HB3 SER 105 HB1 SER 105 -7.419 -8.188 7.348 820 HG SER 105 HG SER 105 -5.039 -6.889 8.198 821 H THR 106 H THR 106 -9.060 -7.802 8.441 822 HA THR 106 HA THR 106 -9.795 -6.399 10.918 823 HB THR 106 HB THR 106 -10.529 -5.639 8.084 824 HG1 THR 106 HG1 THR 106 -8.440 -4.956 8.842 825 HG21 THR 106 HG21 THR 106 -12.450 -5.305 9.549 826 HG22 THR 106 HG22 THR 106 -11.741 -3.748 9.117 827 HG23 THR 106 HG23 THR 106 -11.440 -4.443 10.709 828 H SER 107 H SER 107 -10.868 -8.071 11.826 829 HA SER 107 HA SER 107 -13.490 -8.648 10.737 830 HB2 SER 107 HB2 SER 107 -11.568 -10.892 11.423 831 HB3 SER 107 HB1 SER 107 -13.243 -11.074 10.903 832 HG SER 107 HG SER 107 -12.072 -9.578 9.090 833 H THR 108 H THR 108 -14.644 -7.949 12.419 834 HA THR 108 HA THR 108 -13.758 -8.661 15.133 835 HB THR 108 HB THR 108 -15.709 -6.474 14.400 836 HG1 THR 108 HG1 THR 108 -12.872 -6.431 14.611 837 HG21 THR 108 HG21 THR 108 -14.034 -6.963 16.869 838 HG22 THR 108 HG22 THR 108 -15.771 -7.227 16.732 839 HG23 THR 108 HG23 THR 108 -15.116 -5.594 16.614 840 HA PRO 109 HA PRO 109 -17.469 -11.288 14.655 841 HB2 PRO 109 HB2 PRO 109 -16.810 -13.021 16.640 842 HB3 PRO 109 HB1 PRO 109 -16.162 -13.149 15.001 843 HG2 PRO 109 HG2 PRO 109 -14.901 -11.989 17.453 844 HG3 PRO 109 HG1 PRO 109 -14.178 -13.011 16.198 845 HD2 PRO 109 HD2 PRO 109 -13.837 -10.320 16.287 846 HD3 PRO 109 HD1 PRO 109 -13.852 -11.236 14.767 847 H GLY 110 H GLY 110 -16.051 -9.984 17.613 848 HA2 GLY 110 HA2 GLY 110 -18.689 -9.980 18.897 849 HA3 GLY 110 HA1 GLY 110 -17.150 -9.703 19.701 850 H SER 111 H SER 111 -18.658 -8.248 16.837 851 HA SER 111 HA SER 111 -17.869 -5.615 17.565 852 HB2 SER 111 HB2 SER 111 -19.474 -4.999 15.662 853 HB3 SER 111 HB1 SER 111 -18.118 -6.044 15.241 854 HG SER 111 HG SER 111 -19.742 -7.148 14.391 855 H ARG 112 H ARG 112 -20.873 -7.446 17.725 856 HA ARG 112 HA ARG 112 -22.789 -7.181 18.900 857 HB2 ARG 112 HB2 ARG 112 -21.013 -5.612 20.775 858 HB3 ARG 112 HB1 ARG 112 -22.581 -6.298 21.174 859 HG2 ARG 112 HG2 ARG 112 -20.094 -7.831 20.442 860 HG3 ARG 112 HG1 ARG 112 -20.816 -7.694 22.047 861 HD2 ARG 112 HD2 ARG 112 -22.808 -8.844 21.275 862 HD3 ARG 112 HD1 ARG 112 -22.159 -8.917 19.641 863 HE ARG 112 HE ARG 112 -20.406 -10.153 21.509 864 HH11 ARG 112 HH11 ARG 112 -23.367 -10.633 19.711 865 HH12 ARG 112 HH12 ARG 112 -23.240 -12.364 19.713 866 HH21 ARG 112 HH21 ARG 112 -20.233 -12.423 21.521 867 HH22 ARG 112 HH22 ARG 112 -21.456 -13.382 20.748 868 H SER 113 H SER 113 -23.507 -5.849 17.086 869 HA SER 113 HA SER 113 -23.543 -2.993 17.415 870 HB2 SER 113 HB2 SER 113 -25.080 -4.723 15.470 871 HB3 SER 113 HB1 SER 113 -24.823 -2.986 15.348 872 HG SER 113 HG SER 113 -22.524 -3.493 15.259 873 H HIS 114 H HIS 114 -24.563 -3.622 19.688 874 HA HIS 114 HA HIS 114 -27.492 -3.447 19.394 875 HB2 HIS 114 HB2 HIS 114 -26.678 -5.399 20.702 876 HB3 HIS 114 HB1 HIS 114 -25.896 -4.298 21.827 877 HD1 HIS 114 HD1 HIS 114 -27.205 -4.088 23.897 878 HD2 HIS 114 HD2 HIS 114 -29.661 -4.567 20.577 879 HE1 HIS 114 HE1 HIS 114 -29.556 -4.026 24.783 880 HE2 HIS 114 HE2 HIS 114 -31.020 -4.450 22.779 881 H HIS 115 H HIS 115 -25.715 -1.307 18.964 882 HA HIS 115 HA HIS 115 -26.614 0.533 21.061 883 HB2 HIS 115 HB2 HIS 115 -24.414 1.717 20.936 884 HB3 HIS 115 HB1 HIS 115 -24.293 0.100 21.614 885 HD1 HIS 115 HD1 HIS 115 -22.851 -1.596 20.370 886 HD2 HIS 115 HD2 HIS 115 -23.243 2.023 18.360 887 HE1 HIS 115 HE1 HIS 115 -21.170 -1.674 18.499 888 HE2 HIS 115 HE2 HIS 115 -21.380 0.553 17.333 889 H HIS 116 H HIS 116 -27.768 -0.022 18.577 890 HA HIS 116 HA HIS 116 -26.716 1.771 16.583 891 HB2 HIS 116 HB2 HIS 116 -27.724 -0.542 16.169 892 HB3 HIS 116 HB1 HIS 116 -29.292 0.220 16.405 893 HD1 HIS 116 HD1 HIS 116 -26.246 1.277 14.370 894 HD2 HIS 116 HD2 HIS 116 -30.331 0.618 13.952 895 HE1 HIS 116 HE1 HIS 116 -26.775 1.789 11.965 896 HE2 HIS 116 HE2 HIS 116 -29.204 1.179 11.695 897 H HIS 117 H HIS 117 -27.352 3.345 18.647 898 HA HIS 117 HA HIS 117 -29.826 4.698 17.825 899 HB2 HIS 117 HB2 HIS 117 -28.036 5.054 20.228 900 HB3 HIS 117 HB1 HIS 117 -29.284 6.219 19.803 901 HD1 HIS 117 HD1 HIS 117 -31.548 5.780 20.727 902 HD2 HIS 117 HD2 HIS 117 -29.166 2.376 20.756 903 HE1 HIS 117 HE1 HIS 117 -32.877 4.036 21.957 904 HE2 HIS 117 HE2 HIS 117 -31.356 2.035 22.092 905 H HIS 118 H HIS 118 -28.968 5.289 15.819 906 HA HIS 118 HA HIS 118 -27.903 6.572 14.296 907 HB2 HIS 118 HB2 HIS 118 -28.694 8.419 15.847 908 HB3 HIS 118 HB1 HIS 118 -27.084 8.399 16.556 909 HD1 HIS 118 HD1 HIS 118 -28.631 8.823 13.105 910 HD2 HIS 118 HD2 HIS 118 -25.378 10.116 15.344 911 HE1 HIS 118 HE1 HIS 118 -27.443 10.506 11.663 912 HE2 HIS 118 HE2 HIS 118 -25.582 11.396 13.109 913 H HIS 119 H HIS 119 -26.626 4.395 15.560 914 HA HIS 119 HA HIS 119 -23.876 5.028 14.853 915 HB2 HIS 119 HB2 HIS 119 -24.711 3.809 17.486 916 HB3 HIS 119 HB1 HIS 119 -23.106 3.556 16.809 917 HD1 HIS 119 HD1 HIS 119 -21.540 5.653 16.678 918 HD2 HIS 119 HD2 HIS 119 -25.133 6.276 18.669 919 HE1 HIS 119 HE1 HIS 119 -21.258 7.820 17.912 920 HE2 HIS 119 HE2 HIS 119 -23.391 8.109 19.222 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 1.556 7.231 10.133 2 H2 GLY 1 HT2 GLY 1 1.458 6.652 8.549 3 H3 GLY 1 HT3 GLY 1 0.110 6.574 9.563 4 HA2 GLY 1 HA1 GLY 1 -0.108 8.367 7.960 5 HA3 GLY 1 HA2 GLY 1 -0.067 8.955 9.617 6 H SER 2 H SER 2 1.169 10.666 9.917 7 HA SER 2 HA SER 2 3.066 11.436 7.874 8 HB2 SER 2 HB2 SER 2 2.242 12.842 10.426 9 HB3 SER 2 HB1 SER 2 3.208 13.546 9.128 10 HG SER 2 HG SER 2 0.689 12.433 8.550 11 H GLN 3 H GLN 3 4.577 9.674 8.260 12 HA GLN 3 HA GLN 3 5.966 9.576 10.775 13 HB2 GLN 3 HB2 GLN 3 6.466 8.205 8.135 14 HB3 GLN 3 HB1 GLN 3 7.471 7.961 9.556 15 HG2 GLN 3 HG2 GLN 3 5.505 7.155 10.785 16 HG3 GLN 3 HG1 GLN 3 4.533 7.354 9.329 17 HE21 GLN 3 HE21 GLN 3 7.838 6.223 9.254 18 HE22 GLN 3 HE22 GLN 3 7.471 4.599 8.795 19 H THR 4 H THR 4 6.457 11.125 7.684 20 HA THR 4 HA THR 4 9.177 11.865 8.340 21 HB THR 4 HB THR 4 7.520 12.888 6.031 22 HG1 THR 4 HG1 THR 4 8.638 10.409 6.518 23 HG21 THR 4 HG21 THR 4 10.504 12.641 6.451 24 HG22 THR 4 HG22 THR 4 9.576 14.141 6.476 25 HG23 THR 4 HG23 THR 4 9.720 13.217 4.981 26 H THR 5 H THR 5 6.581 14.024 7.183 27 HA THR 5 HA THR 5 6.836 15.615 9.616 28 HB THR 5 HB THR 5 7.204 16.808 6.858 29 HG1 THR 5 HG1 THR 5 8.952 15.864 8.754 30 HG21 THR 5 HG21 THR 5 7.589 18.915 8.061 31 HG22 THR 5 HG22 THR 5 7.200 18.113 9.583 32 HG23 THR 5 HG23 THR 5 5.962 18.298 8.342 33 H ALA 6 H ALA 6 5.378 16.168 6.408 34 HA ALA 6 HA ALA 6 2.721 15.825 7.563 35 HB1 ALA 6 HB1 ALA 6 3.537 18.358 6.140 36 HB2 ALA 6 HB2 ALA 6 3.239 18.202 7.871 37 HB3 ALA 6 HB3 ALA 6 1.920 17.964 6.724 38 HA PRO 7 HA PRO 7 3.013 14.519 3.119 39 HB2 PRO 7 HB2 PRO 7 3.488 11.887 3.326 40 HB3 PRO 7 HB1 PRO 7 4.795 13.075 3.394 41 HG2 PRO 7 HG2 PRO 7 3.596 11.466 5.563 42 HG3 PRO 7 HG1 PRO 7 5.223 12.153 5.435 43 HD2 PRO 7 HD2 PRO 7 2.993 13.198 6.878 44 HD3 PRO 7 HD1 PRO 7 4.596 13.928 6.681 45 H ASP 8 H ASP 8 1.283 13.739 1.994 46 HA ASP 8 HA ASP 8 -1.066 13.036 3.525 47 HB2 ASP 8 HB2 ASP 8 -0.651 13.482 0.562 48 HB3 ASP 8 HB1 ASP 8 -2.209 13.108 1.295 49 H ALA 9 H ALA 9 0.517 11.098 4.051 50 HA ALA 9 HA ALA 9 0.528 8.919 2.208 51 HB1 ALA 9 HB1 ALA 9 1.455 7.640 4.053 52 HB2 ALA 9 HB2 ALA 9 1.051 8.938 5.176 53 HB3 ALA 9 HB3 ALA 9 2.258 9.204 3.918 54 HA PRO 10 HA PRO 10 -3.589 7.331 2.976 55 HB2 PRO 10 HB2 PRO 10 -2.296 4.759 2.250 56 HB3 PRO 10 HB1 PRO 10 -3.727 5.530 1.559 57 HG2 PRO 10 HG2 PRO 10 -1.416 5.494 0.232 58 HG3 PRO 10 HG1 PRO 10 -2.477 6.915 0.184 59 HD2 PRO 10 HD2 PRO 10 0.039 6.488 1.727 60 HD3 PRO 10 HD1 PRO 10 -0.540 7.934 0.917 61 HA PRO 11 HA PRO 11 -2.875 5.938 7.183 62 HB2 PRO 11 HB2 PRO 11 -5.780 5.363 7.004 63 HB3 PRO 11 HB1 PRO 11 -4.894 6.326 8.191 64 HG2 PRO 11 HG2 PRO 11 -6.393 7.500 6.327 65 HG3 PRO 11 HG1 PRO 11 -4.842 8.199 6.831 66 HD2 PRO 11 HD2 PRO 11 -5.507 6.642 4.364 67 HD3 PRO 11 HD1 PRO 11 -4.453 8.057 4.557 68 H ASP 12 H ASP 12 -3.642 4.003 8.483 69 HA ASP 12 HA ASP 12 -2.493 1.733 7.519 70 HB2 ASP 12 HB2 ASP 12 -3.006 2.092 9.882 71 HB3 ASP 12 HB1 ASP 12 -4.723 1.900 9.552 72 HA PRO 13 HA PRO 13 -5.543 0.298 4.537 73 HB2 PRO 13 HB2 PRO 13 -3.587 -1.870 4.174 74 HB3 PRO 13 HB1 PRO 13 -4.208 -0.716 2.991 75 HG2 PRO 13 HG2 PRO 13 -1.686 -0.582 3.904 76 HG3 PRO 13 HG1 PRO 13 -2.618 0.875 3.508 77 HD2 PRO 13 HD2 PRO 13 -2.053 -0.345 6.188 78 HD3 PRO 13 HD1 PRO 13 -2.041 1.362 5.699 79 H THR 14 H THR 14 -7.233 -0.804 5.209 80 HA THR 14 HA THR 14 -6.841 -2.982 7.143 81 HB THR 14 HB THR 14 -9.432 -1.588 6.497 82 HG1 THR 14 HG1 THR 14 -7.428 -0.362 7.482 83 HG21 THR 14 HG21 THR 14 -9.646 -3.726 7.651 84 HG22 THR 14 HG22 THR 14 -10.073 -2.403 8.734 85 HG23 THR 14 HG23 THR 14 -8.505 -3.193 8.884 86 H VAL 15 H VAL 15 -7.362 -5.014 6.590 87 HA VAL 15 HA VAL 15 -8.440 -5.431 3.918 88 HB VAL 15 HB VAL 15 -7.156 -7.379 5.843 89 HG11 VAL 15 HG11 VAL 15 -8.812 -8.517 4.472 90 HG12 VAL 15 HG12 VAL 15 -7.181 -8.968 3.973 91 HG13 VAL 15 HG13 VAL 15 -8.109 -7.814 3.016 92 HG21 VAL 15 HG21 VAL 15 -6.155 -6.183 3.258 93 HG22 VAL 15 HG22 VAL 15 -5.311 -7.383 4.235 94 HG23 VAL 15 HG23 VAL 15 -5.597 -5.766 4.878 95 H ASP 16 H ASP 16 -10.536 -5.592 3.744 96 HA ASP 16 HA ASP 16 -12.087 -6.851 5.908 97 HB2 ASP 16 HB2 ASP 16 -12.893 -4.901 3.741 98 HB3 ASP 16 HB1 ASP 16 -14.068 -5.786 4.705 99 H GLN 17 H GLN 17 -13.720 -8.353 5.345 100 HA GLN 17 HA GLN 17 -14.624 -10.122 4.251 101 HB2 GLN 17 HB2 GLN 17 -14.061 -8.405 1.830 102 HB3 GLN 17 HB1 GLN 17 -15.127 -9.784 1.857 103 HG2 GLN 17 HG2 GLN 17 -16.667 -8.699 3.280 104 HG3 GLN 17 HG1 GLN 17 -15.527 -7.397 3.621 105 HE21 GLN 17 HE21 GLN 17 -15.202 -5.794 2.103 106 HE22 GLN 17 HE22 GLN 17 -16.269 -5.550 0.766 107 H VAL 18 H VAL 18 -12.621 -11.239 4.970 108 HA VAL 18 HA VAL 18 -10.659 -11.802 2.907 109 HB VAL 18 HB VAL 18 -10.913 -12.951 5.692 110 HG11 VAL 18 HG11 VAL 18 -8.584 -13.631 5.409 111 HG12 VAL 18 HG12 VAL 18 -8.597 -13.008 3.762 112 HG13 VAL 18 HG13 VAL 18 -9.618 -14.380 4.193 113 HG21 VAL 18 HG21 VAL 18 -9.128 -11.385 6.299 114 HG22 VAL 18 HG22 VAL 18 -10.578 -10.542 5.757 115 HG23 VAL 18 HG23 VAL 18 -9.192 -10.693 4.678 116 H ASP 19 H ASP 19 -11.014 -13.311 1.423 117 HA ASP 19 HA ASP 19 -12.920 -15.473 1.933 118 HB2 ASP 19 HB2 ASP 19 -11.399 -14.782 -0.597 119 HB3 ASP 19 HB1 ASP 19 -12.673 -15.983 -0.456 120 H ASP 20 H ASP 20 -11.766 -17.380 0.179 121 HA ASP 20 HA ASP 20 -9.741 -18.507 1.889 122 HB2 ASP 20 HB2 ASP 20 -10.816 -19.470 -0.774 123 HB3 ASP 20 HB1 ASP 20 -9.708 -20.375 0.248 124 H THR 21 H THR 21 -9.873 -17.290 -1.448 125 HA THR 21 HA THR 21 -6.932 -17.147 -1.402 126 HB THR 21 HB THR 21 -7.048 -17.498 -3.894 127 HG1 THR 21 HG1 THR 21 -9.588 -18.656 -3.498 128 HG21 THR 21 HG21 THR 21 -6.369 -19.296 -2.406 129 HG22 THR 21 HG22 THR 21 -7.359 -19.940 -3.721 130 HG23 THR 21 HG23 THR 21 -8.058 -19.721 -2.117 131 H SER 22 H SER 22 -9.378 -15.161 -1.083 132 HA SER 22 HA SER 22 -8.058 -13.035 -2.572 133 HB2 SER 22 HB2 SER 22 -10.305 -12.201 -3.381 134 HB3 SER 22 HB1 SER 22 -9.731 -13.679 -4.153 135 HG SER 22 HG SER 22 -11.678 -13.439 -2.089 136 H ILE 23 H ILE 23 -8.435 -10.950 -1.766 137 HA ILE 23 HA ILE 23 -10.088 -10.706 0.652 138 HB ILE 23 HB ILE 23 -8.396 -9.396 1.805 139 HG12 ILE 23 HG12 ILE 23 -6.380 -10.150 -0.295 140 HG13 ILE 23 HG11 ILE 23 -7.334 -8.679 -0.443 141 HG21 ILE 23 HG21 ILE 23 -6.777 -11.140 2.343 142 HG22 ILE 23 HG22 ILE 23 -7.276 -12.044 0.914 143 HG23 ILE 23 HG23 ILE 23 -8.414 -11.785 2.235 144 HD11 ILE 23 HD11 ILE 23 -6.465 -8.107 1.889 145 HD12 ILE 23 HD12 ILE 23 -5.349 -7.983 0.532 146 HD13 ILE 23 HD13 ILE 23 -5.276 -9.381 1.611 147 H VAL 24 H VAL 24 -10.617 -8.441 1.143 148 HA VAL 24 HA VAL 24 -10.192 -6.645 -1.152 149 HB VAL 24 HB VAL 24 -12.214 -6.338 1.083 150 HG11 VAL 24 HG11 VAL 24 -11.877 -4.835 -1.512 151 HG12 VAL 24 HG12 VAL 24 -11.525 -4.218 0.101 152 HG13 VAL 24 HG13 VAL 24 -13.185 -4.603 -0.352 153 HG21 VAL 24 HG21 VAL 24 -13.905 -6.957 -0.572 154 HG22 VAL 24 HG22 VAL 24 -12.752 -8.266 -0.313 155 HG23 VAL 24 HG23 VAL 24 -12.636 -7.262 -1.758 156 H VAL 25 H VAL 25 -8.339 -5.603 -0.783 157 HA VAL 25 HA VAL 25 -7.688 -4.736 1.927 158 HB VAL 25 HB VAL 25 -5.850 -5.819 0.885 159 HG11 VAL 25 HG11 VAL 25 -6.272 -4.007 -1.477 160 HG12 VAL 25 HG12 VAL 25 -6.500 -5.757 -1.410 161 HG13 VAL 25 HG13 VAL 25 -4.883 -5.072 -1.260 162 HG21 VAL 25 HG21 VAL 25 -5.240 -3.829 2.148 163 HG22 VAL 25 HG22 VAL 25 -5.359 -2.856 0.681 164 HG23 VAL 25 HG23 VAL 25 -4.125 -4.112 0.810 165 H ARG 26 H ARG 26 -8.242 -2.806 2.573 166 HA ARG 26 HA ARG 26 -8.934 -0.794 0.537 167 HB2 ARG 26 HB2 ARG 26 -10.005 -1.109 3.347 168 HB3 ARG 26 HB1 ARG 26 -10.538 0.076 2.163 169 HG2 ARG 26 HG2 ARG 26 -11.455 -1.638 0.766 170 HG3 ARG 26 HG1 ARG 26 -10.768 -2.900 1.789 171 HD2 ARG 26 HD2 ARG 26 -13.164 -2.570 2.209 172 HD3 ARG 26 HD1 ARG 26 -12.182 -2.220 3.631 173 HE ARG 26 HE ARG 26 -12.868 0.056 1.967 174 HH11 ARG 26 HH11 ARG 26 -13.588 -1.853 4.814 175 HH12 ARG 26 HH12 ARG 26 -14.570 -0.616 5.541 176 HH21 ARG 26 HH21 ARG 26 -14.126 1.691 2.930 177 HH22 ARG 26 HH22 ARG 26 -14.874 1.404 4.471 178 H TRP 27 H TRP 27 -8.167 1.256 0.724 179 HA TRP 27 HA TRP 27 -6.490 1.846 3.064 180 HB2 TRP 27 HB2 TRP 27 -5.195 3.377 1.478 181 HB3 TRP 27 HB1 TRP 27 -4.937 1.647 1.301 182 HD1 TRP 27 HD1 TRP 27 -6.609 4.615 -0.474 183 HE1 TRP 27 HE1 TRP 27 -6.983 3.977 -2.943 184 HE3 TRP 27 HE3 TRP 27 -5.217 -0.299 -0.260 185 HZ2 TRP 27 HZ2 TRP 27 -6.708 1.698 -4.575 186 HZ3 TRP 27 HZ3 TRP 27 -5.297 -1.639 -2.321 187 HH2 TRP 27 HH2 TRP 27 -6.028 -0.657 -4.432 188 H SER 28 H SER 28 -6.883 3.670 4.111 189 HA SER 28 HA SER 28 -9.344 5.016 3.584 190 HB2 SER 28 HB2 SER 28 -7.223 5.721 5.619 191 HB3 SER 28 HB1 SER 28 -8.936 6.131 5.676 192 HG SER 28 HG SER 28 -9.125 4.345 6.757 193 H ARG 29 H ARG 29 -9.566 7.351 3.413 194 HA ARG 29 HA ARG 29 -7.694 8.495 1.564 195 HB2 ARG 29 HB2 ARG 29 -10.236 9.475 2.842 196 HB3 ARG 29 HB1 ARG 29 -9.217 10.561 1.905 197 HG2 ARG 29 HG2 ARG 29 -10.290 7.969 0.827 198 HG3 ARG 29 HG1 ARG 29 -11.118 9.519 0.651 199 HD2 ARG 29 HD2 ARG 29 -9.402 10.410 -0.676 200 HD3 ARG 29 HD1 ARG 29 -8.262 9.154 -0.199 201 HE ARG 29 HE ARG 29 -10.552 8.137 -1.602 202 HH11 ARG 29 HH11 ARG 29 -7.423 9.656 -2.018 203 HH12 ARG 29 HH12 ARG 29 -7.113 8.892 -3.543 204 HH21 ARG 29 HH21 ARG 29 -10.139 7.127 -3.612 205 HH22 ARG 29 HH22 ARG 29 -8.660 7.469 -4.465 206 HA PRO 30 HA PRO 30 -4.941 10.101 4.641 207 HB2 PRO 30 HB2 PRO 30 -3.695 11.922 2.986 208 HB3 PRO 30 HB1 PRO 30 -3.273 10.211 3.094 209 HG2 PRO 30 HG2 PRO 30 -4.953 11.629 1.076 210 HG3 PRO 30 HG1 PRO 30 -3.793 10.310 0.844 211 HD2 PRO 30 HD2 PRO 30 -6.452 9.888 0.860 212 HD3 PRO 30 HD1 PRO 30 -5.310 8.694 1.495 213 H1 MET 31 HT1 MET 31 -17.204 15.313 -2.684 214 H2 MET 31 HT2 MET 31 -18.709 15.633 -3.375 215 H3 MET 31 HT3 MET 31 -18.181 14.038 -3.204 216 HA MET 31 HA MET 31 -19.840 14.609 -1.549 217 HB2 MET 31 HB2 MET 31 -17.047 14.160 -0.481 218 HB3 MET 31 HB1 MET 31 -18.509 13.975 0.473 219 HG2 MET 31 HG2 MET 31 -17.774 12.381 -1.971 220 HG3 MET 31 HG1 MET 31 -17.682 11.830 -0.300 221 HE1 MET 31 HE1 MET 31 -19.096 9.682 -0.882 222 HE2 MET 31 HE2 MET 31 -19.198 10.193 -2.568 223 HE3 MET 31 HE3 MET 31 -20.659 9.723 -1.700 224 H ARG 32 H ARG 32 -16.852 16.131 -0.329 225 HA ARG 32 HA ARG 32 -18.422 18.305 0.774 226 HB2 ARG 32 HB2 ARG 32 -15.470 17.666 0.866 227 HB3 ARG 32 HB1 ARG 32 -16.159 19.118 1.574 228 HG2 ARG 32 HG2 ARG 32 -17.558 17.725 3.033 229 HG3 ARG 32 HG1 ARG 32 -16.806 16.284 2.349 230 HD2 ARG 32 HD2 ARG 32 -14.628 17.023 3.157 231 HD3 ARG 32 HD1 ARG 32 -15.356 18.492 3.805 232 HE ARG 32 HE ARG 32 -16.710 16.340 4.930 233 HH11 ARG 32 HH11 ARG 32 -13.470 17.672 4.952 234 HH12 ARG 32 HH12 ARG 32 -13.118 17.111 6.554 235 HH21 ARG 32 HH21 ARG 32 -16.238 15.574 7.025 236 HH22 ARG 32 HH22 ARG 32 -14.686 15.901 7.729 237 H GLY 33 H GLY 33 -19.096 18.819 -1.500 238 HA2 GLY 33 HA2 GLY 33 -18.945 20.697 -2.964 239 HA3 GLY 33 HA1 GLY 33 -17.204 20.716 -2.707 240 H SER 34 H SER 34 -18.524 20.726 -5.242 241 HA SER 34 HA SER 34 -18.370 18.078 -6.333 242 HB2 SER 34 HB2 SER 34 -19.932 19.796 -7.226 243 HB3 SER 34 HB1 SER 34 -18.546 20.739 -7.772 244 HG SER 34 HG SER 34 -19.367 19.464 -9.456 245 H ASN 35 H ASN 35 -16.523 17.093 -6.709 246 HA ASN 35 HA ASN 35 -14.358 16.662 -7.222 247 HB2 ASN 35 HB2 ASN 35 -14.891 19.009 -9.037 248 HB3 ASN 35 HB1 ASN 35 -13.348 18.163 -9.036 249 HD21 ASN 35 HD21 ASN 35 -13.235 16.070 -9.812 250 HD22 ASN 35 HD22 ASN 35 -14.503 15.365 -10.753 251 H ALA 36 H ALA 36 -14.077 17.361 -4.922 252 HA ALA 36 HA ALA 36 -12.932 19.871 -4.300 253 HB1 ALA 36 HB1 ALA 36 -13.948 18.428 -2.605 254 HB2 ALA 36 HB2 ALA 36 -12.285 18.833 -2.184 255 HB3 ALA 36 HB3 ALA 36 -12.665 17.242 -2.842 256 HA PRO 37 HA PRO 37 -9.106 19.309 -6.547 257 HB2 PRO 37 HB2 PRO 37 -8.331 21.486 -4.657 258 HB3 PRO 37 HB1 PRO 37 -8.100 21.381 -6.405 259 HG2 PRO 37 HG2 PRO 37 -10.013 22.919 -5.398 260 HG3 PRO 37 HG1 PRO 37 -10.305 21.957 -6.861 261 HD2 PRO 37 HD2 PRO 37 -11.232 21.484 -4.064 262 HD3 PRO 37 HD1 PRO 37 -12.057 21.153 -5.600 263 H GLN 38 H GLN 38 -7.747 17.720 -6.106 264 HA GLN 38 HA GLN 38 -6.853 17.281 -3.351 265 HB2 GLN 38 HB2 GLN 38 -6.686 15.540 -5.815 266 HB3 GLN 38 HB1 GLN 38 -6.008 15.106 -4.253 267 HG2 GLN 38 HG2 GLN 38 -8.921 15.600 -4.827 268 HG3 GLN 38 HG1 GLN 38 -8.155 14.022 -4.649 269 HE21 GLN 38 HE21 GLN 38 -9.293 16.858 -3.030 270 HE22 GLN 38 HE22 GLN 38 -9.163 16.241 -1.418 271 HA PRO 39 HA PRO 39 -3.105 19.435 -4.740 272 HB2 PRO 39 HB2 PRO 39 -2.365 18.950 -1.918 273 HB3 PRO 39 HB1 PRO 39 -2.406 20.465 -2.824 274 HG2 PRO 39 HG2 PRO 39 -4.242 19.911 -0.958 275 HG3 PRO 39 HG1 PRO 39 -4.662 20.788 -2.441 276 HD2 PRO 39 HD2 PRO 39 -5.132 17.916 -1.737 277 HD3 PRO 39 HD1 PRO 39 -6.193 19.058 -2.588 278 H SER 40 H SER 40 -3.106 16.678 -2.485 279 HA SER 40 HA SER 40 -0.568 15.683 -3.181 280 HB2 SER 40 HB2 SER 40 -1.442 13.538 -2.193 281 HB3 SER 40 HB1 SER 40 -1.640 14.944 -1.145 282 HG SER 40 HG SER 40 -3.709 14.603 -1.193 283 H HIS 41 H HIS 41 -3.813 14.671 -4.174 284 HA HIS 41 HA HIS 41 -4.622 13.585 -5.984 285 HB2 HIS 41 HB2 HIS 41 -4.054 15.686 -7.064 286 HB3 HIS 41 HB1 HIS 41 -2.404 15.140 -7.325 287 HD1 HIS 41 HD1 HIS 41 -5.929 14.157 -8.380 288 HD2 HIS 41 HD2 HIS 41 -2.008 13.997 -9.749 289 HE1 HIS 41 HE1 HIS 41 -6.062 13.207 -10.703 290 HE2 HIS 41 HE2 HIS 41 -3.693 13.239 -11.559 291 H ILE 42 H ILE 42 -3.956 11.555 -5.075 292 HA ILE 42 HA ILE 42 -1.544 10.287 -5.840 293 HB ILE 42 HB ILE 42 -4.165 9.060 -4.955 294 HG12 ILE 42 HG12 ILE 42 -2.767 8.567 -2.869 295 HG13 ILE 42 HG11 ILE 42 -1.592 9.708 -3.506 296 HG21 ILE 42 HG21 ILE 42 -2.925 7.470 -6.297 297 HG22 ILE 42 HG22 ILE 42 -2.871 6.998 -4.599 298 HG23 ILE 42 HG23 ILE 42 -1.469 7.765 -5.346 299 HD11 ILE 42 HD11 ILE 42 -3.240 11.486 -3.404 300 HD12 ILE 42 HD12 ILE 42 -3.047 10.716 -1.829 301 HD13 ILE 42 HD13 ILE 42 -4.454 10.345 -2.827 302 H SER 43 H SER 43 -0.992 9.814 -7.821 303 HA SER 43 HA SER 43 -2.818 9.774 -9.997 304 HB2 SER 43 HB2 SER 43 0.084 8.922 -9.822 305 HB3 SER 43 HB1 SER 43 -0.815 9.161 -11.322 306 HG SER 43 HG SER 43 -1.147 11.360 -10.606 307 H LYS 44 H LYS 44 -1.154 7.297 -8.119 308 HA LYS 44 HA LYS 44 -3.094 5.326 -8.808 309 HB2 LYS 44 HB2 LYS 44 -1.528 3.735 -9.892 310 HB3 LYS 44 HB1 LYS 44 -1.821 5.172 -10.860 311 HG2 LYS 44 HG2 LYS 44 0.320 6.099 -10.166 312 HG3 LYS 44 HG1 LYS 44 0.611 4.686 -9.147 313 HD2 LYS 44 HD2 LYS 44 0.580 3.247 -11.115 314 HD3 LYS 44 HD1 LYS 44 0.245 4.641 -12.142 315 HE2 LYS 44 HE2 LYS 44 2.708 4.331 -10.434 316 HE3 LYS 44 HE1 LYS 44 2.627 3.924 -12.146 317 HZ1 LYS 44 HZ1 LYS 44 2.054 6.235 -12.612 318 HZ2 LYS 44 HZ2 LYS 44 3.551 6.112 -11.843 319 HZ3 LYS 44 HZ3 LYS 44 2.195 6.618 -10.973 320 H TYR 45 H TYR 45 -2.927 3.460 -7.562 321 HA TYR 45 HA TYR 45 -0.977 3.592 -5.359 322 HB2 TYR 45 HB2 TYR 45 -3.676 2.233 -5.536 323 HB3 TYR 45 HB1 TYR 45 -2.567 2.041 -4.186 324 HD1 TYR 45 HD1 TYR 45 -5.198 4.013 -5.591 325 HD2 TYR 45 HD2 TYR 45 -1.941 4.127 -2.863 326 HE1 TYR 45 HE1 TYR 45 -6.195 5.973 -4.491 327 HE2 TYR 45 HE2 TYR 45 -2.928 6.087 -1.753 328 HH TYR 45 HH TYR 45 -4.486 7.876 -2.221 329 H ILE 46 H ILE 46 0.526 2.036 -5.223 330 HA ILE 46 HA ILE 46 0.245 -0.265 -7.032 331 HB ILE 46 HB ILE 46 2.707 1.046 -5.886 332 HG12 ILE 46 HG12 ILE 46 3.352 0.984 -8.357 333 HG13 ILE 46 HG11 ILE 46 1.681 0.538 -8.677 334 HG21 ILE 46 HG21 ILE 46 4.048 -0.732 -6.893 335 HG22 ILE 46 HG22 ILE 46 2.575 -1.598 -7.324 336 HG23 ILE 46 HG23 ILE 46 2.992 -1.354 -5.627 337 HD11 ILE 46 HD11 ILE 46 0.943 2.632 -7.645 338 HD12 ILE 46 HD12 ILE 46 2.014 2.902 -9.019 339 HD13 ILE 46 HD13 ILE 46 2.626 3.078 -7.374 340 H LEU 47 H LEU 47 -0.365 -2.069 -6.131 341 HA LEU 47 HA LEU 47 0.125 -2.519 -3.274 342 HB2 LEU 47 HB2 LEU 47 -2.182 -2.761 -4.563 343 HB3 LEU 47 HB1 LEU 47 -1.533 -4.320 -5.013 344 HG LEU 47 HG LEU 47 -3.003 -4.610 -3.143 345 HD11 LEU 47 HD11 LEU 47 -1.111 -6.060 -3.086 346 HD12 LEU 47 HD12 LEU 47 -1.501 -5.564 -1.442 347 HD13 LEU 47 HD13 LEU 47 -0.131 -4.836 -2.282 348 HD21 LEU 47 HD21 LEU 47 -2.954 -2.327 -2.293 349 HD22 LEU 47 HD22 LEU 47 -1.321 -2.584 -1.677 350 HD23 LEU 47 HD23 LEU 47 -2.672 -3.499 -1.007 351 H ARG 48 H ARG 48 1.963 -3.596 -2.867 352 HA ARG 48 HA ARG 48 2.634 -5.845 -4.646 353 HB2 ARG 48 HB2 ARG 48 4.556 -4.114 -3.079 354 HB3 ARG 48 HB1 ARG 48 5.001 -5.532 -4.017 355 HG2 ARG 48 HG2 ARG 48 4.023 -4.346 -6.024 356 HG3 ARG 48 HG1 ARG 48 3.965 -2.903 -5.015 357 HD2 ARG 48 HD2 ARG 48 6.398 -4.482 -5.820 358 HD3 ARG 48 HD1 ARG 48 5.985 -2.829 -6.274 359 HE ARG 48 HE ARG 48 6.117 -2.629 -3.625 360 HH11 ARG 48 HH11 ARG 48 8.307 -4.101 -5.921 361 HH12 ARG 48 HH12 ARG 48 9.721 -3.791 -4.968 362 HH21 ARG 48 HH21 ARG 48 7.997 -2.213 -2.367 363 HH22 ARG 48 HH22 ARG 48 9.546 -2.716 -2.957 364 H TRP 49 H TRP 49 2.659 -7.779 -3.735 365 HA TRP 49 HA TRP 49 2.975 -7.996 -0.835 366 HB2 TRP 49 HB2 TRP 49 0.998 -9.331 -0.560 367 HB3 TRP 49 HB1 TRP 49 0.529 -7.839 -1.363 368 HD1 TRP 49 HD1 TRP 49 0.435 -11.564 -1.749 369 HE1 TRP 49 HE1 TRP 49 -0.706 -12.187 -3.970 370 HE3 TRP 49 HE3 TRP 49 0.291 -6.939 -3.917 371 HZ2 TRP 49 HZ2 TRP 49 -1.551 -10.891 -6.323 372 HZ3 TRP 49 HZ3 TRP 49 -0.714 -6.711 -6.149 373 HH2 TRP 49 HH2 TRP 49 -1.613 -8.649 -7.330 374 H ARG 50 H ARG 50 3.422 -10.160 -0.113 375 HA ARG 50 HA ARG 50 3.845 -12.253 -2.047 376 HB2 ARG 50 HB2 ARG 50 6.219 -12.591 -1.565 377 HB3 ARG 50 HB1 ARG 50 5.965 -10.996 -2.257 378 HG2 ARG 50 HG2 ARG 50 6.215 -9.984 -0.106 379 HG3 ARG 50 HG1 ARG 50 6.269 -11.569 0.673 380 HD2 ARG 50 HD2 ARG 50 8.280 -12.024 -0.863 381 HD3 ARG 50 HD1 ARG 50 8.312 -10.272 -1.096 382 HE ARG 50 HE ARG 50 8.192 -11.100 1.652 383 HH11 ARG 50 HH11 ARG 50 10.335 -10.405 -1.036 384 HH12 ARG 50 HH12 ARG 50 11.687 -10.024 -0.018 385 HH21 ARG 50 HH21 ARG 50 9.949 -10.599 2.982 386 HH22 ARG 50 HH22 ARG 50 11.468 -10.129 2.282 387 HA PRO 51 HA PRO 51 2.809 -14.594 1.566 388 HB2 PRO 51 HB2 PRO 51 3.794 -17.023 0.823 389 HB3 PRO 51 HB1 PRO 51 2.294 -16.350 0.175 390 HG2 PRO 51 HG2 PRO 51 5.030 -16.393 -1.031 391 HG3 PRO 51 HG1 PRO 51 3.462 -16.688 -1.802 392 HD2 PRO 51 HD2 PRO 51 4.774 -14.331 -2.021 393 HD3 PRO 51 HD1 PRO 51 3.002 -14.441 -2.015 394 H LYS 52 H LYS 52 3.744 -15.166 3.459 395 HA LYS 52 HA LYS 52 6.351 -14.317 4.021 396 HB2 LYS 52 HB2 LYS 52 4.298 -15.890 5.507 397 HB3 LYS 52 HB1 LYS 52 5.914 -15.740 6.178 398 HG2 LYS 52 HG2 LYS 52 4.110 -13.439 5.448 399 HG3 LYS 52 HG1 LYS 52 4.356 -14.070 7.077 400 HD2 LYS 52 HD2 LYS 52 6.532 -12.936 5.322 401 HD3 LYS 52 HD1 LYS 52 5.699 -12.045 6.592 402 HE2 LYS 52 HE2 LYS 52 7.275 -14.578 7.028 403 HE3 LYS 52 HE1 LYS 52 7.908 -12.955 7.281 404 HZ1 LYS 52 HZ1 LYS 52 7.167 -13.911 9.352 405 HZ2 LYS 52 HZ2 LYS 52 5.619 -14.180 8.729 406 HZ3 LYS 52 HZ3 LYS 52 6.179 -12.599 8.951 407 H ASN 53 H ASN 53 5.240 -17.307 2.791 408 HA ASN 53 HA ASN 53 7.549 -18.797 3.681 409 HB2 ASN 53 HB2 ASN 53 6.597 -20.672 2.498 410 HB3 ASN 53 HB1 ASN 53 5.315 -19.870 3.396 411 HD21 ASN 53 HD21 ASN 53 6.684 -20.425 0.265 412 HD22 ASN 53 HD22 ASN 53 5.289 -19.991 -0.656 413 H SER 54 H SER 54 7.040 -16.531 1.315 414 HA SER 54 HA SER 54 9.331 -17.555 -0.219 415 HB2 SER 54 HB2 SER 54 7.018 -15.994 -1.391 416 HB3 SER 54 HB1 SER 54 8.400 -16.658 -2.262 417 HG SER 54 HG SER 54 7.605 -18.760 -1.355 418 H VAL 55 H VAL 55 11.005 -16.235 -0.030 419 HA VAL 55 HA VAL 55 10.570 -13.449 0.721 420 HB VAL 55 HB VAL 55 12.105 -14.970 2.036 421 HG11 VAL 55 HG11 VAL 55 14.380 -15.313 1.158 422 HG12 VAL 55 HG12 VAL 55 13.849 -14.689 -0.402 423 HG13 VAL 55 HG13 VAL 55 13.152 -16.178 0.234 424 HG21 VAL 55 HG21 VAL 55 13.281 -12.463 0.872 425 HG22 VAL 55 HG22 VAL 55 13.830 -13.260 2.346 426 HG23 VAL 55 HG23 VAL 55 12.208 -12.573 2.264 427 H GLY 56 H GLY 56 10.259 -14.704 -2.003 428 HA2 GLY 56 HA2 GLY 56 12.457 -13.587 -3.536 429 HA3 GLY 56 HA1 GLY 56 11.132 -14.554 -4.163 430 H ARG 57 H ARG 57 9.996 -13.465 -5.578 431 HA ARG 57 HA ARG 57 10.223 -10.627 -5.800 432 HB2 ARG 57 HB2 ARG 57 8.589 -12.640 -7.336 433 HB3 ARG 57 HB1 ARG 57 8.660 -10.931 -7.736 434 HG2 ARG 57 HG2 ARG 57 11.067 -11.122 -8.109 435 HG3 ARG 57 HG1 ARG 57 10.981 -12.844 -7.727 436 HD2 ARG 57 HD2 ARG 57 9.465 -13.192 -9.601 437 HD3 ARG 57 HD1 ARG 57 9.512 -11.470 -9.972 438 HE ARG 57 HE ARG 57 12.134 -12.412 -9.982 439 HH11 ARG 57 HH11 ARG 57 9.177 -12.886 -11.793 440 HH12 ARG 57 HH12 ARG 57 9.998 -13.254 -13.280 441 HH21 ARG 57 HH21 ARG 57 13.215 -12.886 -11.928 442 HH22 ARG 57 HH22 ARG 57 12.299 -13.245 -13.357 443 H TRP 58 H TRP 58 8.661 -9.076 -5.669 444 HA TRP 58 HA TRP 58 6.326 -9.680 -4.035 445 HB2 TRP 58 HB2 TRP 58 7.440 -7.061 -5.068 446 HB3 TRP 58 HB1 TRP 58 6.007 -7.204 -4.059 447 HD1 TRP 58 HD1 TRP 58 9.823 -7.551 -3.895 448 HE1 TRP 58 HE1 TRP 58 10.546 -7.439 -1.425 449 HE3 TRP 58 HE3 TRP 58 5.208 -7.602 -1.708 450 HZ2 TRP 58 HZ2 TRP 58 9.308 -7.383 1.113 451 HZ3 TRP 58 HZ3 TRP 58 5.064 -7.517 0.745 452 HH2 TRP 58 HH2 TRP 58 7.075 -7.410 2.124 453 H LYS 59 H LYS 59 4.314 -9.842 -4.865 454 HA LYS 59 HA LYS 59 3.954 -9.685 -7.719 455 HB2 LYS 59 HB2 LYS 59 1.839 -10.037 -5.587 456 HB3 LYS 59 HB1 LYS 59 1.692 -10.424 -7.295 457 HG2 LYS 59 HG2 LYS 59 3.480 -12.128 -6.997 458 HG3 LYS 59 HG1 LYS 59 3.422 -11.806 -5.264 459 HD2 LYS 59 HD2 LYS 59 1.028 -12.408 -5.268 460 HD3 LYS 59 HD1 LYS 59 1.156 -12.808 -6.981 461 HE2 LYS 59 HE2 LYS 59 2.590 -14.137 -4.690 462 HE3 LYS 59 HE1 LYS 59 1.304 -14.822 -5.681 463 HZ1 LYS 59 HZ1 LYS 59 2.808 -14.645 -7.608 464 HZ2 LYS 59 HZ2 LYS 59 3.406 -15.673 -6.406 465 HZ3 LYS 59 HZ3 LYS 59 4.044 -14.118 -6.579 466 H GLU 60 H GLU 60 2.930 -8.073 -8.861 467 HA GLU 60 HA GLU 60 2.543 -5.600 -7.311 468 HB2 GLU 60 HB2 GLU 60 3.523 -5.902 -10.153 469 HB3 GLU 60 HB1 GLU 60 3.358 -4.389 -9.271 470 HG2 GLU 60 HG2 GLU 60 5.066 -5.065 -7.711 471 HG3 GLU 60 HG1 GLU 60 5.179 -6.649 -8.475 472 H ALA 61 H ALA 61 0.773 -4.410 -7.591 473 HA ALA 61 HA ALA 61 -0.933 -4.862 -9.931 474 HB1 ALA 61 HB1 ALA 61 -1.883 -6.183 -8.090 475 HB2 ALA 61 HB2 ALA 61 -2.942 -4.852 -8.553 476 HB3 ALA 61 HB3 ALA 61 -1.959 -4.729 -7.096 477 H THR 62 H THR 62 -1.844 -3.004 -10.729 478 HA THR 62 HA THR 62 -1.162 -0.521 -9.298 479 HB THR 62 HB THR 62 -1.639 -0.882 -12.264 480 HG1 THR 62 HG1 THR 62 0.352 -1.813 -11.232 481 HG21 THR 62 HG21 THR 62 -0.680 1.384 -12.430 482 HG22 THR 62 HG22 THR 62 -0.614 1.472 -10.671 483 HG23 THR 62 HG23 THR 62 -2.172 1.368 -11.490 484 H ILE 63 H ILE 63 -2.815 0.470 -8.396 485 HA ILE 63 HA ILE 63 -5.511 0.081 -9.531 486 HB ILE 63 HB ILE 63 -4.804 0.855 -6.691 487 HG12 ILE 63 HG12 ILE 63 -5.897 -1.541 -6.350 488 HG13 ILE 63 HG11 ILE 63 -5.262 -1.805 -7.967 489 HG21 ILE 63 HG21 ILE 63 -7.149 0.409 -6.213 490 HG22 ILE 63 HG22 ILE 63 -7.429 0.016 -7.908 491 HG23 ILE 63 HG23 ILE 63 -6.984 1.659 -7.447 492 HD11 ILE 63 HD11 ILE 63 -3.022 -1.249 -7.176 493 HD12 ILE 63 HD12 ILE 63 -3.717 -2.596 -6.275 494 HD13 ILE 63 HD13 ILE 63 -3.660 -0.987 -5.553 495 HA PRO 64 HA PRO 64 -5.553 4.464 -10.580 496 HB2 PRO 64 HB2 PRO 64 -8.465 4.051 -10.058 497 HB3 PRO 64 HB1 PRO 64 -7.662 4.789 -11.450 498 HG2 PRO 64 HG2 PRO 64 -8.688 2.334 -11.605 499 HG3 PRO 64 HG1 PRO 64 -7.172 2.752 -12.425 500 HD2 PRO 64 HD2 PRO 64 -7.611 1.163 -9.943 501 HD3 PRO 64 HD1 PRO 64 -6.370 0.982 -11.197 502 H GLY 65 H GLY 65 -5.475 6.271 -9.355 503 HA2 GLY 65 HA2 GLY 65 -5.472 6.057 -6.543 504 HA3 GLY 65 HA1 GLY 65 -5.349 7.551 -7.457 505 H HIS 66 H HIS 66 -8.037 6.564 -8.681 506 HA HIS 66 HA HIS 66 -9.750 8.030 -6.928 507 HB2 HIS 66 HB2 HIS 66 -10.308 8.251 -9.184 508 HB3 HIS 66 HB1 HIS 66 -10.092 6.537 -9.509 509 HD1 HIS 66 HD1 HIS 66 -12.567 8.865 -7.785 510 HD2 HIS 66 HD2 HIS 66 -12.362 5.073 -9.479 511 HE1 HIS 66 HE1 HIS 66 -14.936 8.019 -7.837 512 HE2 HIS 66 HE2 HIS 66 -14.758 5.652 -8.692 513 H LEU 67 H LEU 67 -8.868 4.693 -7.239 514 HA LEU 67 HA LEU 67 -11.252 3.773 -5.837 515 HB2 LEU 67 HB2 LEU 67 -8.832 2.200 -6.720 516 HB3 LEU 67 HB1 LEU 67 -10.327 1.529 -6.101 517 HG LEU 67 HG LEU 67 -9.916 2.941 -8.732 518 HD11 LEU 67 HD11 LEU 67 -10.624 0.807 -9.676 519 HD12 LEU 67 HD12 LEU 67 -10.740 0.127 -8.054 520 HD13 LEU 67 HD13 LEU 67 -9.176 0.634 -8.688 521 HD21 LEU 67 HD21 LEU 67 -12.289 2.530 -9.160 522 HD22 LEU 67 HD22 LEU 67 -12.057 3.619 -7.795 523 HD23 LEU 67 HD23 LEU 67 -12.481 1.932 -7.512 524 H ASN 68 H ASN 68 -11.129 2.587 -3.862 525 HA ASN 68 HA ASN 68 -8.779 3.233 -2.212 526 HB2 ASN 68 HB2 ASN 68 -11.696 3.563 -1.533 527 HB3 ASN 68 HB1 ASN 68 -10.461 3.429 -0.287 528 HD21 ASN 68 HD21 ASN 68 -8.963 5.073 -0.030 529 HD22 ASN 68 HD22 ASN 68 -9.205 6.646 -0.713 530 H SER 69 H SER 69 -10.105 0.775 -3.638 531 HA SER 69 HA SER 69 -9.415 -1.081 -1.531 532 HB2 SER 69 HB2 SER 69 -11.575 -2.316 -1.728 533 HB3 SER 69 HB1 SER 69 -11.753 -0.711 -1.018 534 HG SER 69 HG SER 69 -12.003 -0.874 -3.783 535 H TYR 70 H TYR 70 -8.507 -2.865 -2.328 536 HA TYR 70 HA TYR 70 -8.973 -3.514 -5.165 537 HB2 TYR 70 HB2 TYR 70 -6.728 -2.562 -4.878 538 HB3 TYR 70 HB1 TYR 70 -6.374 -3.740 -3.622 539 HD1 TYR 70 HD1 TYR 70 -5.197 -5.633 -4.206 540 HD2 TYR 70 HD2 TYR 70 -7.452 -3.624 -7.201 541 HE1 TYR 70 HE1 TYR 70 -4.326 -7.191 -5.897 542 HE2 TYR 70 HE2 TYR 70 -6.588 -5.177 -8.899 543 HH TYR 70 HH TYR 70 -4.617 -6.651 -9.220 544 H THR 71 H THR 71 -9.360 -5.642 -5.627 545 HA THR 71 HA THR 71 -9.551 -7.439 -3.319 546 HB THR 71 HB THR 71 -10.686 -7.866 -6.091 547 HG1 THR 71 HG1 THR 71 -11.479 -6.198 -4.092 548 HG21 THR 71 HG21 THR 71 -10.460 -9.897 -4.729 549 HG22 THR 71 HG22 THR 71 -12.156 -9.465 -4.953 550 HG23 THR 71 HG23 THR 71 -11.354 -9.122 -3.421 551 H ILE 72 H ILE 72 -7.548 -8.276 -3.057 552 HA ILE 72 HA ILE 72 -5.834 -9.007 -5.218 553 HB ILE 72 HB ILE 72 -5.671 -9.915 -2.336 554 HG12 ILE 72 HG12 ILE 72 -4.376 -7.531 -3.683 555 HG13 ILE 72 HG11 ILE 72 -5.677 -7.458 -2.498 556 HG21 ILE 72 HG21 ILE 72 -3.289 -10.251 -2.840 557 HG22 ILE 72 HG22 ILE 72 -3.596 -9.815 -4.521 558 HG23 ILE 72 HG23 ILE 72 -4.330 -11.265 -3.839 559 HD11 ILE 72 HD11 ILE 72 -2.849 -8.370 -2.057 560 HD12 ILE 72 HD12 ILE 72 -4.137 -8.559 -0.871 561 HD13 ILE 72 HD13 ILE 72 -3.643 -6.939 -1.384 562 H LYS 73 H LYS 73 -5.713 -10.886 -6.302 563 HA LYS 73 HA LYS 73 -7.397 -13.110 -5.350 564 HB2 LYS 73 HB2 LYS 73 -6.925 -12.351 -8.238 565 HB3 LYS 73 HB1 LYS 73 -8.036 -13.571 -7.630 566 HG2 LYS 73 HG2 LYS 73 -9.402 -11.857 -6.595 567 HG3 LYS 73 HG1 LYS 73 -8.260 -10.613 -7.107 568 HD2 LYS 73 HD2 LYS 73 -8.713 -11.286 -9.471 569 HD3 LYS 73 HD1 LYS 73 -9.986 -12.350 -8.868 570 HE2 LYS 73 HE2 LYS 73 -10.972 -10.274 -9.585 571 HE3 LYS 73 HE1 LYS 73 -11.075 -10.381 -7.828 572 HZ1 LYS 73 HZ1 LYS 73 -9.061 -8.824 -9.361 573 HZ2 LYS 73 HZ2 LYS 73 -9.128 -8.934 -7.675 574 HZ3 LYS 73 HZ3 LYS 73 -10.383 -8.181 -8.527 575 H GLY 74 H GLY 74 -6.553 -15.152 -5.500 576 HA2 GLY 74 HA2 GLY 74 -5.031 -16.766 -6.392 577 HA3 GLY 74 HA1 GLY 74 -3.948 -15.455 -6.832 578 H LEU 75 H LEU 75 -5.306 -15.178 -3.727 579 HA LEU 75 HA LEU 75 -2.752 -15.573 -2.471 580 HB2 LEU 75 HB2 LEU 75 -5.492 -14.996 -1.339 581 HB3 LEU 75 HB1 LEU 75 -4.040 -15.107 -0.365 582 HG LEU 75 HG LEU 75 -4.568 -13.042 -2.516 583 HD11 LEU 75 HD11 LEU 75 -4.622 -11.472 -0.652 584 HD12 LEU 75 HD12 LEU 75 -4.455 -12.812 0.482 585 HD13 LEU 75 HD13 LEU 75 -5.898 -12.682 -0.523 586 HD21 LEU 75 HD21 LEU 75 -2.214 -13.570 -2.424 587 HD22 LEU 75 HD22 LEU 75 -2.218 -13.412 -0.667 588 HD23 LEU 75 HD23 LEU 75 -2.503 -11.997 -1.682 589 H LYS 76 H LYS 76 -2.667 -16.975 -0.434 590 HA LYS 76 HA LYS 76 -3.936 -19.565 -1.019 591 HB2 LYS 76 HB2 LYS 76 -1.246 -19.032 0.255 592 HB3 LYS 76 HB1 LYS 76 -1.947 -20.620 -0.021 593 HG2 LYS 76 HG2 LYS 76 -1.899 -20.210 -2.438 594 HG3 LYS 76 HG1 LYS 76 -1.158 -18.635 -2.146 595 HD2 LYS 76 HD2 LYS 76 0.024 -21.294 -1.342 596 HD3 LYS 76 HD1 LYS 76 0.487 -20.370 -2.769 597 HE2 LYS 76 HE2 LYS 76 1.224 -18.530 -1.347 598 HE3 LYS 76 HE1 LYS 76 0.730 -19.427 0.085 599 HZ1 LYS 76 HZ1 LYS 76 2.873 -20.181 -1.824 600 HZ2 LYS 76 HZ2 LYS 76 2.347 -21.157 -0.545 601 HZ3 LYS 76 HZ3 LYS 76 3.076 -19.665 -0.224 602 HA PRO 77 HA PRO 77 -5.817 -19.076 3.004 603 HB2 PRO 77 HB2 PRO 77 -6.366 -21.957 2.823 604 HB3 PRO 77 HB1 PRO 77 -7.497 -20.606 2.922 605 HG2 PRO 77 HG2 PRO 77 -7.164 -22.037 0.665 606 HG3 PRO 77 HG1 PRO 77 -7.549 -20.307 0.645 607 HD2 PRO 77 HD2 PRO 77 -4.928 -21.674 0.193 608 HD3 PRO 77 HD1 PRO 77 -5.623 -20.261 -0.625 609 H GLY 78 H GLY 78 -4.888 -19.149 4.942 610 HA2 GLY 78 HA2 GLY 78 -3.923 -20.195 6.807 611 HA3 GLY 78 HA1 GLY 78 -3.450 -21.543 5.786 612 H VAL 79 H VAL 79 -2.638 -18.712 4.256 613 HA VAL 79 HA VAL 79 0.127 -18.918 5.249 614 HB VAL 79 HB VAL 79 -0.821 -18.145 2.481 615 HG11 VAL 79 HG11 VAL 79 1.971 -18.477 3.562 616 HG12 VAL 79 HG12 VAL 79 1.220 -16.964 3.049 617 HG13 VAL 79 HG13 VAL 79 1.552 -18.231 1.868 618 HG21 VAL 79 HG21 VAL 79 0.246 -20.239 1.790 619 HG22 VAL 79 HG22 VAL 79 -1.092 -20.513 2.905 620 HG23 VAL 79 HG23 VAL 79 0.573 -20.619 3.479 621 H VAL 80 H VAL 80 1.149 -17.123 5.912 622 HA VAL 80 HA VAL 80 -0.372 -14.658 6.120 623 HB VAL 80 HB VAL 80 2.415 -15.276 7.127 624 HG11 VAL 80 HG11 VAL 80 2.041 -13.375 8.638 625 HG12 VAL 80 HG12 VAL 80 0.491 -13.071 7.856 626 HG13 VAL 80 HG13 VAL 80 1.988 -12.890 6.943 627 HG21 VAL 80 HG21 VAL 80 1.357 -15.635 9.311 628 HG22 VAL 80 HG22 VAL 80 0.798 -16.800 8.111 629 HG23 VAL 80 HG23 VAL 80 -0.230 -15.441 8.568 630 H TYR 81 H TYR 81 0.313 -12.659 5.244 631 HA TYR 81 HA TYR 81 2.290 -12.912 3.078 632 HB2 TYR 81 HB2 TYR 81 -0.474 -11.739 3.005 633 HB3 TYR 81 HB1 TYR 81 0.759 -11.231 1.859 634 HD1 TYR 81 HD1 TYR 81 -1.144 -14.183 3.064 635 HD2 TYR 81 HD2 TYR 81 1.262 -12.520 -0.020 636 HE1 TYR 81 HE1 TYR 81 -1.677 -16.101 1.621 637 HE2 TYR 81 HE2 TYR 81 0.736 -14.429 -1.470 638 HH TYR 81 HH TYR 81 -0.014 -16.671 -1.346 639 H GLU 82 H GLU 82 3.446 -11.102 2.525 640 HA GLU 82 HA GLU 82 3.356 -8.835 4.398 641 HB2 GLU 82 HB2 GLU 82 5.447 -9.548 2.324 642 HB3 GLU 82 HB1 GLU 82 5.559 -8.248 3.499 643 HG2 GLU 82 HG2 GLU 82 5.676 -9.832 5.305 644 HG3 GLU 82 HG1 GLU 82 5.420 -11.171 4.186 645 H GLY 83 H GLY 83 3.045 -6.729 3.575 646 HA2 GLY 83 HA2 GLY 83 2.726 -6.363 0.723 647 HA3 GLY 83 HA1 GLY 83 1.228 -6.294 1.635 648 H GLN 84 H GLN 84 2.910 -4.293 0.086 649 HA GLN 84 HA GLN 84 2.683 -2.204 2.140 650 HB2 GLN 84 HB2 GLN 84 4.866 -2.421 0.059 651 HB3 GLN 84 HB1 GLN 84 4.575 -0.996 1.043 652 HG2 GLN 84 HG2 GLN 84 6.277 -2.007 2.187 653 HG3 GLN 84 HG1 GLN 84 4.866 -2.636 3.034 654 HE21 GLN 84 HE21 GLN 84 5.860 -4.482 3.743 655 HE22 GLN 84 HE22 GLN 84 6.334 -5.761 2.686 656 H LEU 85 H LEU 85 1.460 -0.536 1.577 657 HA LEU 85 HA LEU 85 0.433 -0.424 -1.153 658 HB2 LEU 85 HB2 LEU 85 -1.077 -0.352 0.869 659 HB3 LEU 85 HB1 LEU 85 -0.391 1.210 1.253 660 HG LEU 85 HG LEU 85 -2.664 1.177 0.094 661 HD11 LEU 85 HD11 LEU 85 -2.210 3.158 -1.181 662 HD12 LEU 85 HD12 LEU 85 -0.491 2.769 -1.250 663 HD13 LEU 85 HD13 LEU 85 -1.240 3.182 0.293 664 HD21 LEU 85 HD21 LEU 85 -2.121 -0.532 -1.576 665 HD22 LEU 85 HD22 LEU 85 -0.952 0.564 -2.311 666 HD23 LEU 85 HD23 LEU 85 -2.668 0.967 -2.322 667 H ILE 86 H ILE 86 1.668 0.669 -2.512 668 HA ILE 86 HA ILE 86 3.235 2.957 -1.551 669 HB ILE 86 HB ILE 86 3.398 1.625 -4.251 670 HG12 ILE 86 HG12 ILE 86 5.260 1.068 -1.954 671 HG13 ILE 86 HG11 ILE 86 3.804 0.108 -2.202 672 HG21 ILE 86 HG21 ILE 86 5.352 3.346 -2.727 673 HG22 ILE 86 HG22 ILE 86 4.380 3.857 -4.107 674 HG23 ILE 86 HG23 ILE 86 5.630 2.629 -4.315 675 HD11 ILE 86 HD11 ILE 86 4.581 -0.616 -4.348 676 HD12 ILE 86 HD12 ILE 86 5.846 -0.902 -3.151 677 HD13 ILE 86 HD13 ILE 86 5.971 0.467 -4.255 678 H SER 87 H SER 87 2.240 4.868 -1.746 679 HA SER 87 HA SER 87 0.332 5.247 -3.927 680 HB2 SER 87 HB2 SER 87 -0.234 7.366 -2.681 681 HB3 SER 87 HB1 SER 87 -0.537 5.876 -1.788 682 HG SER 87 HG SER 87 1.421 6.218 -0.675 683 H ILE 88 H ILE 88 0.850 6.321 -5.705 684 HA ILE 88 HA ILE 88 3.267 8.001 -5.707 685 HB ILE 88 HB ILE 88 1.692 6.984 -8.082 686 HG12 ILE 88 HG12 ILE 88 2.692 5.108 -6.863 687 HG13 ILE 88 HG11 ILE 88 3.514 5.360 -8.398 688 HG21 ILE 88 HG21 ILE 88 2.949 9.008 -8.547 689 HG22 ILE 88 HG22 ILE 88 3.680 7.630 -9.368 690 HG23 ILE 88 HG23 ILE 88 4.413 8.271 -7.898 691 HD11 ILE 88 HD11 ILE 88 5.323 6.517 -7.214 692 HD12 ILE 88 HD12 ILE 88 5.103 4.859 -6.656 693 HD13 ILE 88 HD13 ILE 88 4.503 6.203 -5.684 694 H GLN 89 H GLN 89 2.859 10.097 -5.373 695 HA GLN 89 HA GLN 89 0.191 11.107 -6.022 696 HB2 GLN 89 HB2 GLN 89 2.363 12.311 -4.309 697 HB3 GLN 89 HB1 GLN 89 0.753 12.980 -4.533 698 HG2 GLN 89 HG2 GLN 89 -0.246 11.114 -3.437 699 HG3 GLN 89 HG1 GLN 89 1.297 10.266 -3.364 700 HE21 GLN 89 HE21 GLN 89 1.302 10.094 -1.156 701 HE22 GLN 89 HE22 GLN 89 1.533 11.452 -0.116 702 H GLN 90 H GLN 90 0.322 13.657 -6.390 703 HA GLN 90 HA GLN 90 1.194 13.914 -9.050 704 HB2 GLN 90 HB2 GLN 90 -0.699 15.151 -8.147 705 HB3 GLN 90 HB1 GLN 90 0.366 16.032 -7.065 706 HG2 GLN 90 HG2 GLN 90 1.460 17.072 -8.971 707 HG3 GLN 90 HG1 GLN 90 0.429 16.159 -10.071 708 HE21 GLN 90 HE21 GLN 90 -0.727 17.505 -7.057 709 HE22 GLN 90 HE22 GLN 90 -1.724 18.725 -7.766 710 H TYR 91 H TYR 91 2.537 15.199 -6.020 711 HA TYR 91 HA TYR 91 4.651 16.598 -7.395 712 HB2 TYR 91 HB2 TYR 91 4.167 16.087 -4.458 713 HB3 TYR 91 HB1 TYR 91 5.493 17.056 -5.080 714 HD1 TYR 91 HD1 TYR 91 1.767 16.845 -5.142 715 HD2 TYR 91 HD2 TYR 91 5.205 19.338 -5.377 716 HE1 TYR 91 HE1 TYR 91 0.321 18.831 -5.113 717 HE2 TYR 91 HE2 TYR 91 3.766 21.332 -5.351 718 HH TYR 91 HH TYR 91 1.516 21.989 -5.795 719 H GLY 92 H GLY 92 4.311 13.531 -7.383 720 HA2 GLY 92 HA2 GLY 92 5.817 11.820 -7.720 721 HA3 GLY 92 HA1 GLY 92 7.117 12.963 -7.407 722 H HIS 93 H HIS 93 4.730 12.867 -4.983 723 HA HIS 93 HA HIS 93 6.568 11.833 -3.065 724 HB2 HIS 93 HB2 HIS 93 3.855 12.950 -2.988 725 HB3 HIS 93 HB1 HIS 93 4.123 11.663 -1.825 726 HD1 HIS 93 HD1 HIS 93 5.471 12.194 0.233 727 HD2 HIS 93 HD2 HIS 93 5.576 15.221 -2.632 728 HE1 HIS 93 HE1 HIS 93 6.547 14.173 1.357 729 HE2 HIS 93 HE2 HIS 93 6.740 15.930 -0.436 730 H GLN 94 H GLN 94 7.070 9.775 -2.844 731 HA GLN 94 HA GLN 94 4.973 7.772 -3.254 732 HB2 GLN 94 HB2 GLN 94 7.918 7.405 -2.654 733 HB3 GLN 94 HB1 GLN 94 6.769 6.114 -2.970 734 HG2 GLN 94 HG2 GLN 94 6.422 7.071 -5.238 735 HG3 GLN 94 HG1 GLN 94 7.722 8.213 -4.897 736 HE21 GLN 94 HE21 GLN 94 7.551 6.131 -6.923 737 HE22 GLN 94 HE22 GLN 94 8.902 5.087 -6.660 738 H GLU 95 H GLU 95 3.791 7.314 -1.533 739 HA GLU 95 HA GLU 95 5.124 7.315 1.093 740 HB2 GLU 95 HB2 GLU 95 2.178 7.722 0.522 741 HB3 GLU 95 HB1 GLU 95 2.930 7.721 2.111 742 HG2 GLU 95 HG2 GLU 95 3.403 9.729 -0.080 743 HG3 GLU 95 HG1 GLU 95 2.441 9.977 1.373 744 H VAL 96 H VAL 96 5.501 5.332 1.764 745 HA VAL 96 HA VAL 96 3.888 3.153 0.640 746 HB VAL 96 HB VAL 96 6.622 3.002 1.925 747 HG11 VAL 96 HG11 VAL 96 5.060 0.942 0.372 748 HG12 VAL 96 HG12 VAL 96 5.332 0.933 2.115 749 HG13 VAL 96 HG13 VAL 96 6.692 0.743 1.008 750 HG21 VAL 96 HG21 VAL 96 5.840 2.957 -0.991 751 HG22 VAL 96 HG22 VAL 96 7.460 2.654 -0.362 752 HG23 VAL 96 HG23 VAL 96 6.719 4.242 -0.165 753 H THR 97 H THR 97 2.280 2.661 1.965 754 HA THR 97 HA THR 97 2.762 2.635 4.852 755 HB THR 97 HB THR 97 0.116 2.232 3.450 756 HG1 THR 97 HG1 THR 97 -0.147 4.537 4.045 757 HG21 THR 97 HG21 THR 97 0.850 3.082 6.256 758 HG22 THR 97 HG22 THR 97 0.168 1.524 5.783 759 HG23 THR 97 HG23 THR 97 -0.790 2.997 5.614 760 H ARG 98 H ARG 98 3.514 0.786 5.602 761 HA ARG 98 HA ARG 98 3.191 -1.687 4.160 762 HB2 ARG 98 HB2 ARG 98 4.424 -1.268 6.885 763 HB3 ARG 98 HB1 ARG 98 4.681 -2.625 5.800 764 HG2 ARG 98 HG2 ARG 98 5.818 -1.171 4.221 765 HG3 ARG 98 HG1 ARG 98 5.522 0.216 5.270 766 HD2 ARG 98 HD2 ARG 98 6.812 -0.950 7.055 767 HD3 ARG 98 HD1 ARG 98 7.211 -2.204 5.882 768 HE ARG 98 HE ARG 98 7.967 0.168 4.712 769 HH11 ARG 98 HH11 ARG 98 8.773 -1.588 7.623 770 HH12 ARG 98 HH12 ARG 98 10.372 -0.929 7.732 771 HH21 ARG 98 HH21 ARG 98 10.080 1.036 4.842 772 HH22 ARG 98 HH22 ARG 98 11.119 0.557 6.145 773 H PHE 99 H PHE 99 1.815 -3.331 4.613 774 HA PHE 99 HA PHE 99 0.349 -3.234 7.148 775 HB2 PHE 99 HB2 PHE 99 -1.773 -3.727 6.011 776 HB3 PHE 99 HB1 PHE 99 -1.117 -2.173 5.517 777 HD1 PHE 99 HD1 PHE 99 -2.128 -5.473 4.458 778 HD2 PHE 99 HD2 PHE 99 -0.084 -1.932 3.274 779 HE1 PHE 99 HE1 PHE 99 -2.332 -6.146 2.102 780 HE2 PHE 99 HE2 PHE 99 -0.283 -2.603 0.916 781 HZ PHE 99 HZ PHE 99 -1.410 -4.710 0.331 782 H ASP 100 H ASP 100 -0.632 -5.235 7.745 783 HA ASP 100 HA ASP 100 0.747 -7.566 6.580 784 HB2 ASP 100 HB2 ASP 100 1.592 -7.019 8.816 785 HB3 ASP 100 HB1 ASP 100 -0.045 -7.037 9.458 786 H PHE 101 H PHE 101 -0.486 -9.411 6.200 787 HA PHE 101 HA PHE 101 -3.190 -9.580 7.160 788 HB2 PHE 101 HB2 PHE 101 -4.308 -9.561 5.007 789 HB3 PHE 101 HB1 PHE 101 -3.475 -8.036 5.258 790 HD1 PHE 101 HD1 PHE 101 -3.978 -10.783 3.070 791 HD2 PHE 101 HD2 PHE 101 -1.184 -7.749 4.122 792 HE1 PHE 101 HE1 PHE 101 -2.894 -11.026 0.875 793 HE2 PHE 101 HE2 PHE 101 -0.093 -7.990 1.929 794 HZ PHE 101 HZ PHE 101 -0.949 -9.626 0.302 795 H THR 102 H THR 102 -4.312 -11.527 6.131 796 HA THR 102 HA THR 102 -2.663 -13.567 5.010 797 HB THR 102 HB THR 102 -1.884 -13.712 7.332 798 HG1 THR 102 HG1 THR 102 -2.192 -15.650 6.045 799 HG21 THR 102 HG21 THR 102 -3.876 -12.810 8.451 800 HG22 THR 102 HG22 THR 102 -3.390 -14.358 9.141 801 HG23 THR 102 HG23 THR 102 -4.765 -14.276 8.040 802 H THR 103 H THR 103 -3.904 -15.133 4.063 803 HA THR 103 HA THR 103 -6.746 -14.601 3.982 804 HB THR 103 HB THR 103 -6.174 -16.819 2.367 805 HG1 THR 103 HG1 THR 103 -4.088 -16.635 2.027 806 HG21 THR 103 HG21 THR 103 -6.311 -13.887 1.648 807 HG22 THR 103 HG22 THR 103 -7.692 -14.969 1.831 808 HG23 THR 103 HG23 THR 103 -6.529 -15.235 0.532 809 H THR 104 H THR 104 -8.095 -15.563 5.334 810 HA THR 104 HA THR 104 -9.366 -17.258 6.160 811 HB THR 104 HB THR 104 -7.307 -19.136 4.988 812 HG1 THR 104 HG1 THR 104 -8.714 -17.571 3.633 813 HG21 THR 104 HG21 THR 104 -10.143 -19.636 5.901 814 HG22 THR 104 HG22 THR 104 -8.681 -20.218 6.697 815 HG23 THR 104 HG23 THR 104 -9.104 -20.806 5.090 816 H SER 105 H SER 105 -6.086 -16.813 7.000 817 HA SER 105 HA SER 105 -5.990 -18.717 9.144 818 HB2 SER 105 HB2 SER 105 -4.154 -16.353 8.832 819 HB3 SER 105 HB1 SER 105 -3.804 -17.930 9.540 820 HG SER 105 HG SER 105 -3.385 -17.166 7.072 821 H THR 106 H THR 106 -8.234 -16.943 9.342 822 HA THR 106 HA THR 106 -7.612 -15.110 11.515 823 HB THR 106 HB THR 106 -10.146 -14.720 11.415 824 HG1 THR 106 HG1 THR 106 -10.220 -15.626 8.824 825 HG21 THR 106 HG21 THR 106 -8.545 -13.157 10.446 826 HG22 THR 106 HG22 THR 106 -9.958 -13.309 9.404 827 HG23 THR 106 HG23 THR 106 -8.457 -14.131 8.979 828 H SER 107 H SER 107 -8.336 -18.329 11.136 829 HA SER 107 HA SER 107 -9.995 -18.686 13.460 830 HB2 SER 107 HB2 SER 107 -8.539 -20.772 11.819 831 HB3 SER 107 HB1 SER 107 -9.900 -21.039 12.909 832 HG SER 107 HG SER 107 -10.877 -19.313 11.363 833 H THR 108 H THR 108 -8.005 -17.346 14.465 834 HA THR 108 HA THR 108 -5.834 -19.010 15.361 835 HB THR 108 HB THR 108 -5.350 -16.949 16.815 836 HG1 THR 108 HG1 THR 108 -6.467 -15.049 15.757 837 HG21 THR 108 HG21 THR 108 -4.167 -17.408 14.724 838 HG22 THR 108 HG22 THR 108 -4.465 -15.680 14.914 839 HG23 THR 108 HG23 THR 108 -5.462 -16.631 13.815 840 HA PRO 109 HA PRO 109 -7.767 -20.605 19.018 841 HB2 PRO 109 HB2 PRO 109 -5.151 -20.408 20.358 842 HB3 PRO 109 HB1 PRO 109 -6.123 -21.838 20.001 843 HG2 PRO 109 HG2 PRO 109 -3.856 -21.315 18.670 844 HG3 PRO 109 HG1 PRO 109 -5.256 -22.061 17.874 845 HD2 PRO 109 HD2 PRO 109 -4.317 -19.218 17.786 846 HD3 PRO 109 HD1 PRO 109 -4.939 -20.243 16.475 847 H GLY 110 H GLY 110 -8.983 -18.689 19.476 848 HA2 GLY 110 HA2 GLY 110 -7.790 -17.024 21.602 849 HA3 GLY 110 HA1 GLY 110 -9.049 -16.471 20.505 850 H SER 111 H SER 111 -11.034 -16.472 21.272 851 HA SER 111 HA SER 111 -12.824 -16.806 22.619 852 HB2 SER 111 HB2 SER 111 -12.724 -19.030 21.485 853 HB3 SER 111 HB1 SER 111 -11.762 -19.634 22.833 854 HG SER 111 HG SER 111 -13.581 -19.011 24.192 855 H ARG 112 H ARG 112 -10.662 -15.655 23.869 856 HA ARG 112 HA ARG 112 -10.520 -16.933 26.515 857 HB2 ARG 112 HB2 ARG 112 -8.824 -14.681 25.426 858 HB3 ARG 112 HB1 ARG 112 -8.561 -15.567 26.918 859 HG2 ARG 112 HG2 ARG 112 -8.045 -17.577 25.670 860 HG3 ARG 112 HG1 ARG 112 -8.394 -16.745 24.153 861 HD2 ARG 112 HD2 ARG 112 -6.602 -15.128 24.679 862 HD3 ARG 112 HD1 ARG 112 -6.217 -16.061 26.119 863 HE ARG 112 HE ARG 112 -5.844 -17.945 24.401 864 HH11 ARG 112 HH11 ARG 112 -5.188 -14.555 23.853 865 HH12 ARG 112 HH12 ARG 112 -3.878 -14.849 22.757 866 HH21 ARG 112 HH21 ARG 112 -4.090 -18.335 22.968 867 HH22 ARG 112 HH22 ARG 112 -3.247 -16.989 22.265 868 H SER 113 H SER 113 -12.464 -14.912 25.032 869 HA SER 113 HA SER 113 -13.847 -13.203 25.592 870 HB2 SER 113 HB2 SER 113 -12.909 -13.673 28.436 871 HB3 SER 113 HB1 SER 113 -14.392 -12.860 27.934 872 HG SER 113 HG SER 113 -14.778 -15.011 26.808 873 H HIS 114 H HIS 114 -10.985 -12.781 24.988 874 HA HIS 114 HA HIS 114 -10.739 -10.059 26.043 875 HB2 HIS 114 HB2 HIS 114 -8.772 -12.276 26.332 876 HB3 HIS 114 HB1 HIS 114 -8.136 -10.678 25.970 877 HD1 HIS 114 HD1 HIS 114 -7.511 -9.423 27.995 878 HD2 HIS 114 HD2 HIS 114 -10.640 -12.059 28.733 879 HE1 HIS 114 HE1 HIS 114 -8.034 -9.179 30.438 880 HE2 HIS 114 HE2 HIS 114 -9.880 -10.836 30.881 881 H HIS 115 H HIS 115 -11.758 -10.522 23.572 882 HA HIS 115 HA HIS 115 -9.469 -9.930 21.820 883 HB2 HIS 115 HB2 HIS 115 -10.754 -10.718 19.907 884 HB3 HIS 115 HB1 HIS 115 -10.609 -11.975 21.124 885 HD1 HIS 115 HD1 HIS 115 -13.048 -10.133 19.125 886 HD2 HIS 115 HD2 HIS 115 -13.084 -12.454 22.572 887 HE1 HIS 115 HE1 HIS 115 -15.445 -10.809 19.458 888 HE2 HIS 115 HE2 HIS 115 -15.461 -12.118 21.613 889 H HIS 116 H HIS 116 -11.246 -8.202 23.565 890 HA HIS 116 HA HIS 116 -11.788 -6.216 21.461 891 HB2 HIS 116 HB2 HIS 116 -13.193 -5.010 23.133 892 HB3 HIS 116 HB1 HIS 116 -13.817 -6.592 22.705 893 HD1 HIS 116 HD1 HIS 116 -14.585 -7.932 24.623 894 HD2 HIS 116 HD2 HIS 116 -11.716 -5.148 25.747 895 HE1 HIS 116 HE1 HIS 116 -14.419 -8.109 27.124 896 HE2 HIS 116 HE2 HIS 116 -12.814 -6.288 27.793 897 H HIS 117 H HIS 117 -9.248 -6.804 22.215 898 HA HIS 117 HA HIS 117 -8.240 -5.193 24.320 899 HB2 HIS 117 HB2 HIS 117 -7.113 -7.231 23.465 900 HB3 HIS 117 HB1 HIS 117 -6.790 -6.398 21.952 901 HD1 HIS 117 HD1 HIS 117 -5.670 -6.610 25.505 902 HD2 HIS 117 HD2 HIS 117 -4.678 -4.556 22.030 903 HE1 HIS 117 HE1 HIS 117 -3.425 -5.568 25.953 904 HE2 HIS 117 HE2 HIS 117 -2.769 -4.487 23.773 905 H HIS 118 H HIS 118 -7.998 -3.083 24.331 906 HA HIS 118 HA HIS 118 -7.906 -1.619 21.792 907 HB2 HIS 118 HB2 HIS 118 -8.379 0.393 23.146 908 HB3 HIS 118 HB1 HIS 118 -9.608 -0.844 23.372 909 HD1 HIS 118 HD1 HIS 118 -6.565 0.591 25.164 910 HD2 HIS 118 HD2 HIS 118 -10.041 -1.556 25.965 911 HE1 HIS 118 HE1 HIS 118 -6.711 0.438 27.667 912 HE2 HIS 118 HE2 HIS 118 -8.806 -0.878 28.132 913 H HIS 119 H HIS 119 -6.484 0.429 21.930 914 HA HIS 119 HA HIS 119 -3.870 -0.367 22.984 915 HB2 HIS 119 HB2 HIS 119 -4.148 0.366 20.569 916 HB3 HIS 119 HB1 HIS 119 -4.499 1.978 21.179 917 HD1 HIS 119 HD1 HIS 119 -2.531 3.466 21.532 918 HD2 HIS 119 HD2 HIS 119 -1.456 -0.539 21.299 919 HE1 HIS 119 HE1 HIS 119 -0.018 3.440 21.535 920 HE2 HIS 119 HE2 HIS 119 0.597 1.023 21.192 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 -14.192 19.538 8.348 2 H2 GLY 1 HT2 GLY 1 -13.407 19.627 9.843 3 H3 GLY 1 HT3 GLY 1 -14.701 18.562 9.630 4 HA2 GLY 1 HA1 GLY 1 -13.440 17.258 8.062 5 HA3 GLY 1 HA2 GLY 1 -12.097 18.381 8.227 6 H SER 2 H SER 2 -10.962 16.338 8.786 7 HA SER 2 HA SER 2 -11.499 15.094 11.306 8 HB2 SER 2 HB2 SER 2 -8.931 15.049 9.701 9 HB3 SER 2 HB1 SER 2 -9.448 13.873 10.912 10 HG SER 2 HG SER 2 -11.399 13.960 9.200 11 H GLN 3 H GLN 3 -9.038 17.344 10.120 12 HA GLN 3 HA GLN 3 -9.132 19.059 12.322 13 HB2 GLN 3 HB2 GLN 3 -7.999 17.207 13.527 14 HB3 GLN 3 HB1 GLN 3 -6.711 17.236 12.328 15 HG2 GLN 3 HG2 GLN 3 -6.234 19.582 12.970 16 HG3 GLN 3 HG1 GLN 3 -7.437 19.434 14.249 17 HE21 GLN 3 HE21 GLN 3 -6.992 18.146 16.036 18 HE22 GLN 3 HE22 GLN 3 -5.391 17.614 16.406 19 H THR 4 H THR 4 -6.614 17.647 10.273 20 HA THR 4 HA THR 4 -6.314 20.248 8.934 21 HB THR 4 HB THR 4 -4.042 18.341 9.533 22 HG1 THR 4 HG1 THR 4 -3.846 19.312 11.399 23 HG21 THR 4 HG21 THR 4 -3.679 19.732 7.566 24 HG22 THR 4 HG22 THR 4 -2.636 20.262 8.886 25 HG23 THR 4 HG23 THR 4 -4.090 21.176 8.490 26 H THR 5 H THR 5 -7.111 19.921 6.952 27 HA THR 5 HA THR 5 -7.153 17.335 5.725 28 HB THR 5 HB THR 5 -7.825 19.997 4.456 29 HG1 THR 5 HG1 THR 5 -10.049 18.987 5.095 30 HG21 THR 5 HG21 THR 5 -7.583 18.081 2.903 31 HG22 THR 5 HG22 THR 5 -9.235 18.690 2.976 32 HG23 THR 5 HG23 THR 5 -8.803 17.209 3.830 33 H ALA 6 H ALA 6 -4.715 17.219 5.960 34 HA ALA 6 HA ALA 6 -3.608 17.624 3.317 35 HB1 ALA 6 HB1 ALA 6 -2.223 18.797 5.731 36 HB2 ALA 6 HB2 ALA 6 -3.010 19.716 4.449 37 HB3 ALA 6 HB3 ALA 6 -1.583 18.746 4.088 38 HA PRO 7 HA PRO 7 -2.078 13.839 5.604 39 HB2 PRO 7 HB2 PRO 7 -3.841 12.091 4.198 40 HB3 PRO 7 HB1 PRO 7 -3.891 12.516 5.909 41 HG2 PRO 7 HG2 PRO 7 -5.821 13.213 4.048 42 HG3 PRO 7 HG1 PRO 7 -5.565 14.027 5.600 43 HD2 PRO 7 HD2 PRO 7 -4.630 14.816 2.866 44 HD3 PRO 7 HD1 PRO 7 -5.256 15.835 4.183 45 H ASP 8 H ASP 8 -0.688 12.269 4.728 46 HA ASP 8 HA ASP 8 -0.164 12.601 1.849 47 HB2 ASP 8 HB2 ASP 8 1.667 12.055 4.170 48 HB3 ASP 8 HB1 ASP 8 2.154 11.665 2.525 49 H ALA 9 H ALA 9 -0.089 10.195 4.455 50 HA ALA 9 HA ALA 9 -0.258 8.083 2.413 51 HB1 ALA 9 HB1 ALA 9 0.772 6.606 4.058 52 HB2 ALA 9 HB2 ALA 9 0.828 7.936 5.217 53 HB3 ALA 9 HB3 ALA 9 1.784 8.014 3.738 54 HA PRO 10 HA PRO 10 -4.319 7.015 3.927 55 HB2 PRO 10 HB2 PRO 10 -3.511 4.241 3.251 56 HB3 PRO 10 HB1 PRO 10 -4.904 5.173 2.694 57 HG2 PRO 10 HG2 PRO 10 -2.832 4.705 1.080 58 HG3 PRO 10 HG1 PRO 10 -3.690 6.257 1.049 59 HD2 PRO 10 HD2 PRO 10 -1.057 5.580 2.278 60 HD3 PRO 10 HD1 PRO 10 -1.547 7.033 1.426 61 HA PRO 11 HA PRO 11 -3.367 6.305 8.179 62 HB2 PRO 11 HB2 PRO 11 -6.100 5.093 8.109 63 HB3 PRO 11 HB1 PRO 11 -5.408 6.239 9.264 64 HG2 PRO 11 HG2 PRO 11 -7.058 7.069 7.347 65 HG3 PRO 11 HG1 PRO 11 -5.656 8.038 7.828 66 HD2 PRO 11 HD2 PRO 11 -6.092 6.441 5.368 67 HD3 PRO 11 HD1 PRO 11 -5.090 7.883 5.619 68 H ASP 12 H ASP 12 -5.373 3.617 6.938 69 HA ASP 12 HA ASP 12 -3.304 1.704 7.637 70 HB2 ASP 12 HB2 ASP 12 -4.457 2.001 9.773 71 HB3 ASP 12 HB1 ASP 12 -6.006 1.682 9.001 72 HA PRO 13 HA PRO 13 -5.508 -0.210 4.178 73 HB2 PRO 13 HB2 PRO 13 -3.227 -2.017 4.091 74 HB3 PRO 13 HB1 PRO 13 -3.761 -0.854 2.875 75 HG2 PRO 13 HG2 PRO 13 -1.468 -0.564 4.311 76 HG3 PRO 13 HG1 PRO 13 -2.401 0.804 3.680 77 HD2 PRO 13 HD2 PRO 13 -2.329 -0.323 6.453 78 HD3 PRO 13 HD1 PRO 13 -2.386 1.372 5.925 79 H THR 14 H THR 14 -7.080 -1.528 4.820 80 HA THR 14 HA THR 14 -6.479 -3.565 6.861 81 HB THR 14 HB THR 14 -9.227 -2.521 6.221 82 HG1 THR 14 HG1 THR 14 -7.215 -1.368 7.892 83 HG21 THR 14 HG21 THR 14 -9.684 -3.191 8.536 84 HG22 THR 14 HG22 THR 14 -8.008 -3.706 8.718 85 HG23 THR 14 HG23 THR 14 -9.069 -4.545 7.587 86 H VAL 15 H VAL 15 -7.113 -5.668 6.528 87 HA VAL 15 HA VAL 15 -7.928 -6.329 3.806 88 HB VAL 15 HB VAL 15 -6.857 -8.076 6.031 89 HG11 VAL 15 HG11 VAL 15 -8.352 -9.401 4.704 90 HG12 VAL 15 HG12 VAL 15 -6.693 -9.824 4.269 91 HG13 VAL 15 HG13 VAL 15 -7.645 -8.782 3.213 92 HG21 VAL 15 HG21 VAL 15 -4.871 -8.257 4.627 93 HG22 VAL 15 HG22 VAL 15 -5.203 -6.573 5.030 94 HG23 VAL 15 HG23 VAL 15 -5.611 -7.194 3.429 95 H ASP 16 H ASP 16 -10.036 -6.487 3.463 96 HA ASP 16 HA ASP 16 -11.708 -7.740 5.548 97 HB2 ASP 16 HB2 ASP 16 -12.404 -5.495 3.643 98 HB3 ASP 16 HB1 ASP 16 -13.601 -6.376 4.583 99 H GLN 17 H GLN 17 -13.687 -8.754 4.683 100 HA GLN 17 HA GLN 17 -14.783 -10.234 3.358 101 HB2 GLN 17 HB2 GLN 17 -13.722 -8.511 1.123 102 HB3 GLN 17 HB1 GLN 17 -15.104 -9.567 1.040 103 HG2 GLN 17 HG2 GLN 17 -16.312 -8.206 2.609 104 HG3 GLN 17 HG1 GLN 17 -14.893 -7.191 2.862 105 HE21 GLN 17 HE21 GLN 17 -15.875 -5.330 2.220 106 HE22 GLN 17 HE22 GLN 17 -16.324 -5.009 0.582 107 H VAL 18 H VAL 18 -12.789 -11.577 4.131 108 HA VAL 18 HA VAL 18 -10.994 -12.400 2.031 109 HB VAL 18 HB VAL 18 -11.463 -13.663 4.738 110 HG11 VAL 18 HG11 VAL 18 -9.246 -14.649 4.416 111 HG12 VAL 18 HG12 VAL 18 -9.162 -13.934 2.807 112 HG13 VAL 18 HG13 VAL 18 -10.372 -15.166 3.161 113 HG21 VAL 18 HG21 VAL 18 -9.472 -12.424 5.458 114 HG22 VAL 18 HG22 VAL 18 -10.774 -11.339 4.971 115 HG23 VAL 18 HG23 VAL 18 -9.410 -11.621 3.889 116 H ASP 19 H ASP 19 -11.696 -13.630 0.427 117 HA ASP 19 HA ASP 19 -13.910 -15.483 0.772 118 HB2 ASP 19 HB2 ASP 19 -12.155 -15.024 -1.656 119 HB3 ASP 19 HB1 ASP 19 -13.666 -15.920 -1.618 120 H ASP 20 H ASP 20 -12.822 -17.356 -1.206 121 HA ASP 20 HA ASP 20 -11.574 -19.232 0.477 122 HB2 ASP 20 HB2 ASP 20 -11.606 -19.132 -2.550 123 HB3 ASP 20 HB1 ASP 20 -11.215 -20.544 -1.574 124 H THR 21 H THR 21 -10.261 -17.248 -2.174 125 HA THR 21 HA THR 21 -7.706 -17.116 -0.785 126 HB THR 21 HB THR 21 -6.744 -17.522 -3.283 127 HG1 THR 21 HG1 THR 21 -8.374 -19.730 -3.250 128 HG21 THR 21 HG21 THR 21 -6.111 -19.783 -2.522 129 HG22 THR 21 HG22 THR 21 -7.259 -19.637 -1.191 130 HG23 THR 21 HG23 THR 21 -5.865 -18.561 -1.274 131 H SER 22 H SER 22 -9.733 -15.161 -1.289 132 HA SER 22 HA SER 22 -8.073 -13.210 -2.667 133 HB2 SER 22 HB2 SER 22 -10.184 -12.315 -3.814 134 HB3 SER 22 HB1 SER 22 -9.487 -13.793 -4.478 135 HG SER 22 HG SER 22 -11.830 -13.443 -2.943 136 H ILE 23 H ILE 23 -8.314 -11.120 -1.892 137 HA ILE 23 HA ILE 23 -10.165 -10.799 0.387 138 HB ILE 23 HB ILE 23 -8.530 -9.567 1.621 139 HG12 ILE 23 HG12 ILE 23 -6.467 -10.017 -0.519 140 HG13 ILE 23 HG11 ILE 23 -7.534 -8.622 -0.584 141 HG21 ILE 23 HG21 ILE 23 -8.385 -11.994 1.840 142 HG22 ILE 23 HG22 ILE 23 -6.800 -11.244 2.024 143 HG23 ILE 23 HG23 ILE 23 -7.225 -12.048 0.512 144 HD11 ILE 23 HD11 ILE 23 -5.507 -9.285 1.525 145 HD12 ILE 23 HD12 ILE 23 -6.718 -8.017 1.701 146 HD13 ILE 23 HD13 ILE 23 -5.521 -7.913 0.411 147 H VAL 24 H VAL 24 -10.533 -8.496 0.943 148 HA VAL 24 HA VAL 24 -10.073 -6.664 -1.323 149 HB VAL 24 HB VAL 24 -12.215 -6.448 0.808 150 HG11 VAL 24 HG11 VAL 24 -11.466 -4.280 -0.002 151 HG12 VAL 24 HG12 VAL 24 -13.095 -4.629 -0.581 152 HG13 VAL 24 HG13 VAL 24 -11.716 -4.800 -1.668 153 HG21 VAL 24 HG21 VAL 24 -12.662 -8.284 -0.735 154 HG22 VAL 24 HG22 VAL 24 -12.482 -7.185 -2.101 155 HG23 VAL 24 HG23 VAL 24 -13.807 -6.963 -0.957 156 H VAL 25 H VAL 25 -8.245 -5.605 -0.808 157 HA VAL 25 HA VAL 25 -7.760 -4.842 1.959 158 HB VAL 25 HB VAL 25 -5.810 -5.686 0.889 159 HG11 VAL 25 HG11 VAL 25 -6.356 -5.534 -1.405 160 HG12 VAL 25 HG12 VAL 25 -4.868 -4.615 -1.166 161 HG13 VAL 25 HG13 VAL 25 -6.408 -3.771 -1.347 162 HG21 VAL 25 HG21 VAL 25 -4.250 -3.787 0.948 163 HG22 VAL 25 HG22 VAL 25 -5.354 -3.801 2.324 164 HG23 VAL 25 HG23 VAL 25 -5.624 -2.681 0.987 165 H ARG 26 H ARG 26 -8.563 -3.058 2.709 166 HA ARG 26 HA ARG 26 -9.424 -0.972 0.828 167 HB2 ARG 26 HB2 ARG 26 -10.294 -1.484 3.680 168 HB3 ARG 26 HB1 ARG 26 -10.969 -0.276 2.599 169 HG2 ARG 26 HG2 ARG 26 -11.774 -2.049 1.121 170 HG3 ARG 26 HG1 ARG 26 -11.101 -3.259 2.215 171 HD2 ARG 26 HD2 ARG 26 -13.501 -2.964 2.578 172 HD3 ARG 26 HD1 ARG 26 -12.572 -2.480 3.997 173 HE ARG 26 HE ARG 26 -12.867 -0.148 2.711 174 HH11 ARG 26 HH11 ARG 26 -15.178 -2.635 3.564 175 HH12 ARG 26 HH12 ARG 26 -16.511 -1.532 3.671 176 HH21 ARG 26 HH21 ARG 26 -14.614 1.307 2.876 177 HH22 ARG 26 HH22 ARG 26 -16.193 0.709 3.274 178 H TRP 27 H TRP 27 -8.868 1.143 1.105 179 HA TRP 27 HA TRP 27 -7.321 1.915 3.456 180 HB2 TRP 27 HB2 TRP 27 -5.656 3.095 1.985 181 HB3 TRP 27 HB1 TRP 27 -5.564 1.339 1.919 182 HD1 TRP 27 HD1 TRP 27 -6.932 4.294 -0.182 183 HE1 TRP 27 HE1 TRP 27 -6.930 3.582 -2.654 184 HE3 TRP 27 HE3 TRP 27 -5.435 -0.563 0.370 185 HZ2 TRP 27 HZ2 TRP 27 -6.350 1.279 -4.168 186 HZ3 TRP 27 HZ3 TRP 27 -5.175 -1.952 -1.643 187 HH2 TRP 27 HH2 TRP 27 -5.624 -1.049 -3.865 188 H SER 28 H SER 28 -7.507 4.096 3.970 189 HA SER 28 HA SER 28 -9.579 5.534 2.493 190 HB2 SER 28 HB2 SER 28 -9.763 5.282 4.984 191 HB3 SER 28 HB1 SER 28 -8.294 6.243 5.146 192 HG SER 28 HG SER 28 -9.377 8.002 4.696 193 H ARG 29 H ARG 29 -8.855 6.806 0.898 194 HA ARG 29 HA ARG 29 -6.150 7.664 0.768 195 HB2 ARG 29 HB2 ARG 29 -6.758 8.783 -1.293 196 HB3 ARG 29 HB1 ARG 29 -7.425 7.161 -1.258 197 HG2 ARG 29 HG2 ARG 29 -9.131 8.451 -2.151 198 HG3 ARG 29 HG1 ARG 29 -9.587 8.281 -0.456 199 HD2 ARG 29 HD2 ARG 29 -8.618 10.465 0.022 200 HD3 ARG 29 HD1 ARG 29 -8.169 10.640 -1.671 201 HE ARG 29 HE ARG 29 -10.907 10.161 -1.609 202 HH11 ARG 29 HH11 ARG 29 -8.700 12.640 -0.461 203 HH12 ARG 29 HH12 ARG 29 -9.870 13.916 -0.620 204 HH21 ARG 29 HH21 ARG 29 -12.427 11.842 -1.829 205 HH22 ARG 29 HH22 ARG 29 -11.985 13.464 -1.404 206 HA PRO 30 HA PRO 30 -6.037 11.473 2.986 207 HB2 PRO 30 HB2 PRO 30 -4.805 12.539 0.481 208 HB3 PRO 30 HB1 PRO 30 -4.247 12.674 2.152 209 HG2 PRO 30 HG2 PRO 30 -3.085 10.962 0.496 210 HG3 PRO 30 HG1 PRO 30 -3.400 10.508 2.181 211 HD2 PRO 30 HD2 PRO 30 -4.837 9.693 -0.301 212 HD3 PRO 30 HD1 PRO 30 -4.501 8.760 1.164 213 H1 MET 31 HT1 MET 31 -10.174 29.407 1.930 214 H2 MET 31 HT2 MET 31 -8.962 29.890 0.857 215 H3 MET 31 HT3 MET 31 -8.982 28.310 1.454 216 HA MET 31 HA MET 31 -9.773 28.392 -0.816 217 HB2 MET 31 HB2 MET 31 -10.638 26.665 0.680 218 HB3 MET 31 HB1 MET 31 -11.894 27.758 1.243 219 HG2 MET 31 HG2 MET 31 -12.731 26.113 -0.362 220 HG3 MET 31 HG1 MET 31 -12.921 27.768 -0.933 221 HE1 MET 31 HE1 MET 31 -12.999 24.923 -2.608 222 HE2 MET 31 HE2 MET 31 -12.256 25.463 -4.114 223 HE3 MET 31 HE3 MET 31 -13.444 26.483 -3.302 224 H ARG 32 H ARG 32 -10.348 29.897 -2.213 225 HA ARG 32 HA ARG 32 -12.770 31.457 -1.737 226 HB2 ARG 32 HB2 ARG 32 -11.618 33.540 -2.448 227 HB3 ARG 32 HB1 ARG 32 -11.027 32.914 -0.917 228 HG2 ARG 32 HG2 ARG 32 -9.095 31.939 -2.078 229 HG3 ARG 32 HG1 ARG 32 -9.682 32.624 -3.595 230 HD2 ARG 32 HD2 ARG 32 -9.510 34.872 -2.634 231 HD3 ARG 32 HD1 ARG 32 -8.909 34.179 -1.129 232 HE ARG 32 HE ARG 32 -7.263 33.287 -3.196 233 HH11 ARG 32 HH11 ARG 32 -8.088 36.274 -1.587 234 HH12 ARG 32 HH12 ARG 32 -6.568 37.032 -1.931 235 HH21 ARG 32 HH21 ARG 32 -5.252 34.270 -3.648 236 HH22 ARG 32 HH22 ARG 32 -4.951 35.888 -3.094 237 H GLY 33 H GLY 33 -11.923 29.237 -3.492 238 HA2 GLY 33 HA2 GLY 33 -12.629 30.523 -6.048 239 HA3 GLY 33 HA1 GLY 33 -11.356 29.309 -5.979 240 H SER 34 H SER 34 -12.724 28.176 -7.561 241 HA SER 34 HA SER 34 -15.212 27.069 -6.562 242 HB2 SER 34 HB2 SER 34 -13.742 26.501 -9.149 243 HB3 SER 34 HB1 SER 34 -15.411 26.066 -8.774 244 HG SER 34 HG SER 34 -15.355 28.588 -8.309 245 H ASN 35 H ASN 35 -11.980 25.919 -7.438 246 HA ASN 35 HA ASN 35 -12.444 23.568 -5.734 247 HB2 ASN 35 HB2 ASN 35 -11.097 23.610 -8.441 248 HB3 ASN 35 HB1 ASN 35 -10.921 22.283 -7.300 249 HD21 ASN 35 HD21 ASN 35 -13.031 23.900 -9.509 250 HD22 ASN 35 HD22 ASN 35 -14.272 22.696 -9.533 251 H ALA 36 H ALA 36 -10.780 23.032 -4.403 252 HA ALA 36 HA ALA 36 -8.589 24.945 -4.226 253 HB1 ALA 36 HB1 ALA 36 -9.833 24.395 -2.188 254 HB2 ALA 36 HB2 ALA 36 -8.141 23.919 -2.052 255 HB3 ALA 36 HB3 ALA 36 -9.377 22.701 -2.365 256 HA PRO 37 HA PRO 37 -5.914 22.073 -6.376 257 HB2 PRO 37 HB2 PRO 37 -3.579 23.410 -5.853 258 HB3 PRO 37 HB1 PRO 37 -4.698 23.860 -7.144 259 HG2 PRO 37 HG2 PRO 37 -4.368 25.041 -4.421 260 HG3 PRO 37 HG1 PRO 37 -4.663 25.853 -5.969 261 HD2 PRO 37 HD2 PRO 37 -6.619 25.432 -4.147 262 HD3 PRO 37 HD1 PRO 37 -6.931 25.444 -5.894 263 H GLN 38 H GLN 38 -5.738 20.197 -5.290 264 HA GLN 38 HA GLN 38 -4.625 20.218 -2.589 265 HB2 GLN 38 HB2 GLN 38 -6.114 18.078 -4.114 266 HB3 GLN 38 HB1 GLN 38 -5.470 17.871 -2.491 267 HG2 GLN 38 HG2 GLN 38 -7.499 19.954 -3.261 268 HG3 GLN 38 HG1 GLN 38 -7.892 18.382 -2.570 269 HE21 GLN 38 HE21 GLN 38 -8.842 19.282 -0.766 270 HE22 GLN 38 HE22 GLN 38 -7.926 20.045 0.488 271 HA PRO 39 HA PRO 39 -0.825 18.680 -4.431 272 HB2 PRO 39 HB2 PRO 39 0.613 18.761 -2.123 273 HB3 PRO 39 HB1 PRO 39 0.312 20.189 -3.120 274 HG2 PRO 39 HG2 PRO 39 -1.044 19.303 -0.612 275 HG3 PRO 39 HG1 PRO 39 -0.575 20.936 -1.116 276 HD2 PRO 39 HD2 PRO 39 -3.120 19.985 -1.299 277 HD3 PRO 39 HD1 PRO 39 -2.459 21.214 -2.394 278 H SER 40 H SER 40 -2.673 17.503 -1.776 279 HA SER 40 HA SER 40 -1.101 15.101 -1.416 280 HB2 SER 40 HB2 SER 40 -3.689 15.877 -0.066 281 HB3 SER 40 HB1 SER 40 -2.498 14.703 0.493 282 HG SER 40 HG SER 40 -1.073 16.352 0.911 283 H HIS 41 H HIS 41 -2.820 15.647 -3.925 284 HA HIS 41 HA HIS 41 -4.728 13.473 -3.703 285 HB2 HIS 41 HB2 HIS 41 -5.564 14.054 -5.842 286 HB3 HIS 41 HB1 HIS 41 -5.251 15.571 -5.019 287 HD1 HIS 41 HD1 HIS 41 -3.804 17.228 -6.213 288 HD2 HIS 41 HD2 HIS 41 -3.630 13.436 -7.920 289 HE1 HIS 41 HE1 HIS 41 -2.538 17.508 -8.367 290 HE2 HIS 41 HE2 HIS 41 -2.670 15.255 -9.483 291 H ILE 42 H ILE 42 -4.476 11.469 -4.429 292 HA ILE 42 HA ILE 42 -1.773 10.697 -5.164 293 HB ILE 42 HB ILE 42 -4.173 9.203 -4.164 294 HG12 ILE 42 HG12 ILE 42 -2.520 8.357 -2.515 295 HG13 ILE 42 HG11 ILE 42 -1.275 9.319 -3.301 296 HG21 ILE 42 HG21 ILE 42 -3.014 7.072 -4.494 297 HG22 ILE 42 HG22 ILE 42 -1.745 7.907 -5.390 298 HG23 ILE 42 HG23 ILE 42 -3.388 7.857 -6.028 299 HD11 ILE 42 HD11 ILE 42 -2.481 11.352 -2.702 300 HD12 ILE 42 HD12 ILE 42 -2.071 10.388 -1.285 301 HD13 ILE 42 HD13 ILE 42 -3.720 10.380 -1.911 302 H SER 43 H SER 43 -1.150 9.891 -7.062 303 HA SER 43 HA SER 43 -2.968 10.205 -9.297 304 HB2 SER 43 HB2 SER 43 -0.911 9.894 -10.647 305 HB3 SER 43 HB1 SER 43 -0.721 11.154 -9.426 306 HG SER 43 HG SER 43 1.053 9.614 -9.597 307 H LYS 44 H LYS 44 -1.241 7.663 -7.606 308 HA LYS 44 HA LYS 44 -3.009 5.647 -8.595 309 HB2 LYS 44 HB2 LYS 44 -1.301 4.253 -9.692 310 HB3 LYS 44 HB1 LYS 44 -1.528 5.779 -10.533 311 HG2 LYS 44 HG2 LYS 44 0.496 6.662 -9.508 312 HG3 LYS 44 HG1 LYS 44 0.717 5.151 -8.623 313 HD2 LYS 44 HD2 LYS 44 0.943 3.943 -10.732 314 HD3 LYS 44 HD1 LYS 44 0.700 5.445 -11.626 315 HE2 LYS 44 HE2 LYS 44 2.725 6.373 -10.677 316 HE3 LYS 44 HE1 LYS 44 2.945 4.938 -9.679 317 HZ1 LYS 44 HZ1 LYS 44 3.008 5.003 -12.644 318 HZ2 LYS 44 HZ2 LYS 44 3.220 3.626 -11.684 319 HZ3 LYS 44 HZ3 LYS 44 4.356 4.878 -11.628 320 H TYR 45 H TYR 45 -2.779 3.661 -7.476 321 HA TYR 45 HA TYR 45 -0.970 3.775 -5.142 322 HB2 TYR 45 HB2 TYR 45 -3.405 2.012 -5.451 323 HB3 TYR 45 HB1 TYR 45 -2.471 2.289 -3.994 324 HD1 TYR 45 HD1 TYR 45 -2.678 4.456 -2.789 325 HD2 TYR 45 HD2 TYR 45 -5.128 3.488 -6.127 326 HE1 TYR 45 HE1 TYR 45 -4.262 6.223 -2.134 327 HE2 TYR 45 HE2 TYR 45 -6.707 5.250 -5.485 328 HH TYR 45 HH TYR 45 -7.366 6.456 -3.423 329 H ILE 46 H ILE 46 0.606 2.289 -5.027 330 HA ILE 46 HA ILE 46 0.531 0.064 -6.946 331 HB ILE 46 HB ILE 46 2.851 1.391 -5.540 332 HG12 ILE 46 HG12 ILE 46 3.674 1.562 -7.940 333 HG13 ILE 46 HG11 ILE 46 2.072 1.034 -8.438 334 HG21 ILE 46 HG21 ILE 46 2.880 -1.167 -7.129 335 HG22 ILE 46 HG22 ILE 46 3.268 -0.975 -5.419 336 HG23 ILE 46 HG23 ILE 46 4.315 -0.262 -6.646 337 HD11 ILE 46 HD11 ILE 46 2.750 3.543 -6.925 338 HD12 ILE 46 HD12 ILE 46 1.115 3.003 -7.303 339 HD13 ILE 46 HD13 ILE 46 2.229 3.419 -8.605 340 H LEU 47 H LEU 47 -0.184 -1.757 -6.135 341 HA LEU 47 HA LEU 47 0.125 -2.316 -3.268 342 HB2 LEU 47 HB2 LEU 47 -2.107 -2.435 -4.645 343 HB3 LEU 47 HB1 LEU 47 -1.478 -3.969 -5.199 344 HG LEU 47 HG LEU 47 -3.042 -4.333 -3.407 345 HD11 LEU 47 HD11 LEU 47 -1.659 -5.566 -1.806 346 HD12 LEU 47 HD12 LEU 47 -0.219 -4.806 -2.487 347 HD13 LEU 47 HD13 LEU 47 -1.207 -5.876 -3.481 348 HD21 LEU 47 HD21 LEU 47 -2.930 -2.187 -2.315 349 HD22 LEU 47 HD22 LEU 47 -1.293 -2.526 -1.751 350 HD23 LEU 47 HD23 LEU 47 -2.650 -3.478 -1.146 351 H ARG 48 H ARG 48 1.811 -3.561 -2.720 352 HA ARG 48 HA ARG 48 2.606 -5.717 -4.571 353 HB2 ARG 48 HB2 ARG 48 4.541 -4.184 -2.830 354 HB3 ARG 48 HB1 ARG 48 4.923 -5.369 -4.070 355 HG2 ARG 48 HG2 ARG 48 4.042 -3.821 -5.775 356 HG3 ARG 48 HG1 ARG 48 3.763 -2.630 -4.503 357 HD2 ARG 48 HD2 ARG 48 6.403 -3.780 -5.387 358 HD3 ARG 48 HD1 ARG 48 5.839 -2.118 -5.573 359 HE ARG 48 HE ARG 48 5.778 -2.335 -2.944 360 HH11 ARG 48 HH11 ARG 48 8.228 -3.384 -5.207 361 HH12 ARG 48 HH12 ARG 48 9.532 -3.221 -4.078 362 HH21 ARG 48 HH21 ARG 48 7.506 -2.126 -1.428 363 HH22 ARG 48 HH22 ARG 48 9.121 -2.517 -1.933 364 H TRP 49 H TRP 49 2.686 -7.691 -3.643 365 HA TRP 49 HA TRP 49 3.034 -7.837 -0.739 366 HB2 TRP 49 HB2 TRP 49 1.202 -9.366 -0.439 367 HB3 TRP 49 HB1 TRP 49 0.588 -7.931 -1.246 368 HD1 TRP 49 HD1 TRP 49 0.865 -11.654 -1.618 369 HE1 TRP 49 HE1 TRP 49 -0.258 -12.400 -3.809 370 HE3 TRP 49 HE3 TRP 49 0.213 -7.076 -3.780 371 HZ2 TRP 49 HZ2 TRP 49 -1.290 -11.194 -6.151 372 HZ3 TRP 49 HZ3 TRP 49 -0.854 -6.952 -5.991 373 HH2 TRP 49 HH2 TRP 49 -1.587 -8.966 -7.154 374 H ARG 50 H ARG 50 4.049 -9.658 0.012 375 HA ARG 50 HA ARG 50 4.749 -11.717 -1.955 376 HB2 ARG 50 HB2 ARG 50 7.044 -11.819 -1.104 377 HB3 ARG 50 HB1 ARG 50 6.694 -10.235 -1.782 378 HG2 ARG 50 HG2 ARG 50 6.588 -9.261 0.356 379 HG3 ARG 50 HG1 ARG 50 6.524 -10.838 1.151 380 HD2 ARG 50 HD2 ARG 50 8.816 -11.201 -0.043 381 HD3 ARG 50 HD1 ARG 50 8.838 -9.439 -0.112 382 HE ARG 50 HE ARG 50 8.173 -10.273 2.477 383 HH11 ARG 50 HH11 ARG 50 10.926 -10.217 0.317 384 HH12 ARG 50 HH12 ARG 50 12.087 -10.134 1.604 385 HH21 ARG 50 HH21 ARG 50 9.666 -10.161 4.157 386 HH22 ARG 50 HH22 ARG 50 11.371 -10.099 3.799 387 HA PRO 51 HA PRO 51 3.535 -14.334 1.479 388 HB2 PRO 51 HB2 PRO 51 4.628 -16.543 -0.072 389 HB3 PRO 51 HB1 PRO 51 2.950 -16.218 0.360 390 HG2 PRO 51 HG2 PRO 51 3.899 -16.023 -2.178 391 HG3 PRO 51 HG1 PRO 51 2.542 -15.060 -1.573 392 HD2 PRO 51 HD2 PRO 51 5.396 -14.276 -1.979 393 HD3 PRO 51 HD1 PRO 51 3.910 -13.342 -2.260 394 H LYS 52 H LYS 52 4.664 -14.945 3.225 395 HA LYS 52 HA LYS 52 7.437 -14.516 3.395 396 HB2 LYS 52 HB2 LYS 52 5.447 -15.837 5.220 397 HB3 LYS 52 HB1 LYS 52 7.142 -15.693 5.650 398 HG2 LYS 52 HG2 LYS 52 5.448 -13.330 4.894 399 HG3 LYS 52 HG1 LYS 52 5.574 -13.914 6.552 400 HD2 LYS 52 HD2 LYS 52 7.940 -13.114 4.861 401 HD3 LYS 52 HD1 LYS 52 7.115 -12.022 5.970 402 HE2 LYS 52 HE2 LYS 52 8.467 -14.612 6.727 403 HE3 LYS 52 HE1 LYS 52 9.130 -12.999 6.972 404 HZ1 LYS 52 HZ1 LYS 52 6.680 -14.103 8.230 405 HZ2 LYS 52 HZ2 LYS 52 7.218 -12.510 8.412 406 HZ3 LYS 52 HZ3 LYS 52 8.153 -13.789 8.999 407 H ASN 53 H ASN 53 5.621 -17.319 2.540 408 HA ASN 53 HA ASN 53 7.783 -19.175 2.975 409 HB2 ASN 53 HB2 ASN 53 6.341 -20.848 1.994 410 HB3 ASN 53 HB1 ASN 53 5.396 -19.875 3.114 411 HD21 ASN 53 HD21 ASN 53 3.803 -18.521 2.327 412 HD22 ASN 53 HD22 ASN 53 3.214 -18.627 0.700 413 H SER 54 H SER 54 7.054 -16.898 0.632 414 HA SER 54 HA SER 54 8.474 -18.352 -1.479 415 HB2 SER 54 HB2 SER 54 6.944 -15.739 -1.610 416 HB3 SER 54 HB1 SER 54 7.647 -16.595 -2.983 417 HG SER 54 HG SER 54 6.236 -18.419 -2.048 418 H VAL 55 H VAL 55 10.400 -17.577 -2.326 419 HA VAL 55 HA VAL 55 11.640 -15.380 -0.829 420 HB VAL 55 HB VAL 55 12.564 -17.687 -0.454 421 HG11 VAL 55 HG11 VAL 55 12.305 -18.581 -2.695 422 HG12 VAL 55 HG12 VAL 55 13.990 -18.667 -2.182 423 HG13 VAL 55 HG13 VAL 55 13.476 -17.417 -3.312 424 HG21 VAL 55 HG21 VAL 55 13.872 -15.726 0.021 425 HG22 VAL 55 HG22 VAL 55 14.410 -15.650 -1.656 426 HG23 VAL 55 HG23 VAL 55 14.900 -17.000 -0.632 427 H GLY 56 H GLY 56 10.066 -15.606 -3.461 428 HA2 GLY 56 HA2 GLY 56 12.054 -14.826 -5.430 429 HA3 GLY 56 HA1 GLY 56 10.341 -15.077 -5.722 430 H ARG 57 H ARG 57 9.461 -13.280 -6.445 431 HA ARG 57 HA ARG 57 10.532 -10.698 -5.534 432 HB2 ARG 57 HB2 ARG 57 8.797 -11.320 -7.929 433 HB3 ARG 57 HB1 ARG 57 9.545 -9.774 -7.559 434 HG2 ARG 57 HG2 ARG 57 11.748 -10.741 -7.871 435 HG3 ARG 57 HG1 ARG 57 11.023 -12.318 -8.184 436 HD2 ARG 57 HD2 ARG 57 9.857 -11.384 -10.125 437 HD3 ARG 57 HD1 ARG 57 10.612 -9.821 -9.819 438 HE ARG 57 HE ARG 57 12.727 -11.482 -10.038 439 HH11 ARG 57 HH11 ARG 57 9.931 -10.888 -12.055 440 HH12 ARG 57 HH12 ARG 57 10.751 -11.282 -13.531 441 HH21 ARG 57 HH21 ARG 57 13.818 -12.003 -11.980 442 HH22 ARG 57 HH22 ARG 57 12.963 -11.918 -13.488 443 H TRP 58 H TRP 58 8.941 -8.904 -5.399 444 HA TRP 58 HA TRP 58 6.596 -9.616 -3.890 445 HB2 TRP 58 HB2 TRP 58 7.585 -6.964 -4.972 446 HB3 TRP 58 HB1 TRP 58 6.145 -7.140 -3.983 447 HD1 TRP 58 HD1 TRP 58 9.957 -7.836 -3.673 448 HE1 TRP 58 HE1 TRP 58 10.637 -7.385 -1.231 449 HE3 TRP 58 HE3 TRP 58 5.349 -6.771 -1.736 450 HZ2 TRP 58 HZ2 TRP 58 9.381 -6.678 1.193 451 HZ3 TRP 58 HZ3 TRP 58 5.176 -6.218 0.654 452 HH2 TRP 58 HH2 TRP 58 7.150 -6.172 2.088 453 H LYS 59 H LYS 59 4.588 -9.942 -4.697 454 HA LYS 59 HA LYS 59 4.148 -9.706 -7.536 455 HB2 LYS 59 HB2 LYS 59 2.209 -10.378 -5.311 456 HB3 LYS 59 HB1 LYS 59 1.884 -10.531 -7.033 457 HG2 LYS 59 HG2 LYS 59 3.683 -12.194 -7.208 458 HG3 LYS 59 HG1 LYS 59 3.954 -12.063 -5.470 459 HD2 LYS 59 HD2 LYS 59 2.597 -14.009 -5.947 460 HD3 LYS 59 HD1 LYS 59 1.638 -12.810 -5.078 461 HE2 LYS 59 HE2 LYS 59 0.566 -12.119 -7.119 462 HE3 LYS 59 HE1 LYS 59 1.615 -13.165 -8.071 463 HZ1 LYS 59 HZ1 LYS 59 -0.544 -14.166 -7.754 464 HZ2 LYS 59 HZ2 LYS 59 -0.383 -14.067 -6.073 465 HZ3 LYS 59 HZ3 LYS 59 0.636 -15.080 -6.961 466 H GLU 60 H GLU 60 3.165 -8.045 -8.576 467 HA GLU 60 HA GLU 60 2.478 -5.752 -6.865 468 HB2 GLU 60 HB2 GLU 60 3.770 -5.654 -9.591 469 HB3 GLU 60 HB1 GLU 60 3.467 -4.292 -8.521 470 HG2 GLU 60 HG2 GLU 60 5.044 -5.193 -6.905 471 HG3 GLU 60 HG1 GLU 60 5.325 -6.587 -7.946 472 H ALA 61 H ALA 61 0.845 -4.400 -7.465 473 HA ALA 61 HA ALA 61 -0.568 -4.856 -9.979 474 HB1 ALA 61 HB1 ALA 61 -2.748 -4.866 -8.858 475 HB2 ALA 61 HB2 ALA 61 -1.942 -4.835 -7.290 476 HB3 ALA 61 HB3 ALA 61 -1.760 -6.235 -8.347 477 H THR 62 H THR 62 -1.738 -3.001 -10.679 478 HA THR 62 HA THR 62 -1.000 -0.545 -9.226 479 HB THR 62 HB THR 62 -1.624 -0.774 -12.179 480 HG1 THR 62 HG1 THR 62 0.313 -1.735 -12.073 481 HG21 THR 62 HG21 THR 62 -0.370 1.448 -10.554 482 HG22 THR 62 HG22 THR 62 -2.009 1.448 -11.207 483 HG23 THR 62 HG23 THR 62 -0.624 1.460 -12.299 484 H ILE 63 H ILE 63 -2.602 0.583 -8.368 485 HA ILE 63 HA ILE 63 -5.336 0.135 -9.379 486 HB ILE 63 HB ILE 63 -4.498 1.002 -6.602 487 HG12 ILE 63 HG12 ILE 63 -5.729 -1.227 -6.049 488 HG13 ILE 63 HG11 ILE 63 -5.394 -1.633 -7.728 489 HG21 ILE 63 HG21 ILE 63 -6.860 0.797 -6.023 490 HG22 ILE 63 HG22 ILE 63 -7.237 0.408 -7.698 491 HG23 ILE 63 HG23 ILE 63 -6.612 2.003 -7.285 492 HD11 ILE 63 HD11 ILE 63 -3.348 -0.955 -5.628 493 HD12 ILE 63 HD12 ILE 63 -3.004 -1.353 -7.312 494 HD13 ILE 63 HD13 ILE 63 -3.719 -2.564 -6.247 495 HA PRO 64 HA PRO 64 -5.295 4.370 -10.847 496 HB2 PRO 64 HB2 PRO 64 -8.198 4.018 -10.232 497 HB3 PRO 64 HB1 PRO 64 -7.428 4.662 -11.689 498 HG2 PRO 64 HG2 PRO 64 -8.429 2.204 -11.677 499 HG3 PRO 64 HG1 PRO 64 -6.895 2.550 -12.497 500 HD2 PRO 64 HD2 PRO 64 -7.388 1.178 -9.900 501 HD3 PRO 64 HD1 PRO 64 -6.132 0.880 -11.117 502 H GLY 65 H GLY 65 -5.247 6.341 -9.858 503 HA2 GLY 65 HA2 GLY 65 -5.272 6.332 -6.989 504 HA3 GLY 65 HA1 GLY 65 -4.856 7.685 -8.025 505 H HIS 66 H HIS 66 -7.819 5.783 -7.572 506 HA HIS 66 HA HIS 66 -9.159 7.919 -6.225 507 HB2 HIS 66 HB2 HIS 66 -11.003 8.113 -7.965 508 HB3 HIS 66 HB1 HIS 66 -9.482 8.900 -8.362 509 HD1 HIS 66 HD1 HIS 66 -8.514 8.355 -10.576 510 HD2 HIS 66 HD2 HIS 66 -11.316 5.533 -9.370 511 HE1 HIS 66 HE1 HIS 66 -8.822 6.823 -12.543 512 HE2 HIS 66 HE2 HIS 66 -10.645 5.239 -11.849 513 H LEU 67 H LEU 67 -8.509 4.989 -6.161 514 HA LEU 67 HA LEU 67 -11.231 4.028 -5.594 515 HB2 LEU 67 HB2 LEU 67 -8.784 2.394 -6.285 516 HB3 LEU 67 HB1 LEU 67 -10.365 1.745 -5.901 517 HG LEU 67 HG LEU 67 -9.622 3.365 -8.333 518 HD11 LEU 67 HD11 LEU 67 -10.237 1.332 -9.541 519 HD12 LEU 67 HD12 LEU 67 -10.515 0.510 -8.005 520 HD13 LEU 67 HD13 LEU 67 -8.897 1.061 -8.431 521 HD21 LEU 67 HD21 LEU 67 -12.311 2.296 -7.490 522 HD22 LEU 67 HD22 LEU 67 -11.938 2.999 -9.062 523 HD23 LEU 67 HD23 LEU 67 -11.849 3.994 -7.610 524 H ASN 68 H ASN 68 -11.284 2.421 -3.770 525 HA ASN 68 HA ASN 68 -9.423 3.306 -1.663 526 HB2 ASN 68 HB2 ASN 68 -12.393 2.877 -1.588 527 HB3 ASN 68 HB1 ASN 68 -11.428 2.793 -0.119 528 HD21 ASN 68 HD21 ASN 68 -10.460 4.641 0.671 529 HD22 ASN 68 HD22 ASN 68 -10.958 6.221 0.159 530 H SER 69 H SER 69 -10.232 0.668 -3.459 531 HA SER 69 HA SER 69 -9.091 -1.114 -1.508 532 HB2 SER 69 HB2 SER 69 -11.023 -2.716 -1.618 533 HB3 SER 69 HB1 SER 69 -11.363 -1.223 -0.745 534 HG SER 69 HG SER 69 -12.462 -0.452 -2.549 535 H TYR 70 H TYR 70 -8.608 -3.215 -2.351 536 HA TYR 70 HA TYR 70 -8.984 -3.597 -5.219 537 HB2 TYR 70 HB2 TYR 70 -6.791 -2.520 -5.011 538 HB3 TYR 70 HB1 TYR 70 -6.289 -3.743 -3.849 539 HD1 TYR 70 HD1 TYR 70 -7.656 -3.538 -7.325 540 HD2 TYR 70 HD2 TYR 70 -5.002 -5.491 -4.634 541 HE1 TYR 70 HE1 TYR 70 -6.824 -4.935 -9.168 542 HE2 TYR 70 HE2 TYR 70 -4.163 -6.894 -6.471 543 HH TYR 70 HH TYR 70 -4.868 -6.236 -9.754 544 H THR 71 H THR 71 -9.312 -5.686 -5.767 545 HA THR 71 HA THR 71 -9.480 -7.619 -3.618 546 HB THR 71 HB THR 71 -10.163 -7.963 -6.545 547 HG1 THR 71 HG1 THR 71 -12.185 -7.695 -4.662 548 HG21 THR 71 HG21 THR 71 -9.847 -10.079 -5.368 549 HG22 THR 71 HG22 THR 71 -11.551 -9.826 -5.740 550 HG23 THR 71 HG23 THR 71 -10.957 -9.556 -4.102 551 H ILE 72 H ILE 72 -7.462 -8.310 -3.078 552 HA ILE 72 HA ILE 72 -5.543 -9.089 -5.104 553 HB ILE 72 HB ILE 72 -5.418 -9.582 -2.125 554 HG12 ILE 72 HG12 ILE 72 -4.249 -7.302 -3.735 555 HG13 ILE 72 HG11 ILE 72 -5.596 -7.174 -2.609 556 HG21 ILE 72 HG21 ILE 72 -3.943 -11.008 -3.430 557 HG22 ILE 72 HG22 ILE 72 -3.014 -9.825 -2.508 558 HG23 ILE 72 HG23 ILE 72 -3.269 -9.592 -4.238 559 HD11 ILE 72 HD11 ILE 72 -3.672 -6.375 -1.488 560 HD12 ILE 72 HD12 ILE 72 -2.722 -7.776 -1.985 561 HD13 ILE 72 HD13 ILE 72 -4.026 -7.968 -0.816 562 H LYS 73 H LYS 73 -5.537 -11.022 -6.049 563 HA LYS 73 HA LYS 73 -7.035 -13.189 -4.742 564 HB2 LYS 73 HB2 LYS 73 -6.423 -12.849 -7.683 565 HB3 LYS 73 HB1 LYS 73 -7.429 -14.099 -6.963 566 HG2 LYS 73 HG2 LYS 73 -8.974 -12.340 -6.169 567 HG3 LYS 73 HG1 LYS 73 -7.997 -11.145 -7.021 568 HD2 LYS 73 HD2 LYS 73 -8.416 -12.384 -9.127 569 HD3 LYS 73 HD1 LYS 73 -9.497 -13.460 -8.238 570 HE2 LYS 73 HE2 LYS 73 -10.839 -11.471 -7.582 571 HE3 LYS 73 HE1 LYS 73 -9.810 -10.485 -8.621 572 HZ1 LYS 73 HZ1 LYS 73 -11.558 -12.725 -9.481 573 HZ2 LYS 73 HZ2 LYS 73 -10.506 -11.880 -10.502 574 HZ3 LYS 73 HZ3 LYS 73 -11.809 -11.080 -9.781 575 H GLY 74 H GLY 74 -6.036 -15.019 -4.242 576 HA2 GLY 74 HA2 GLY 74 -4.359 -16.710 -4.805 577 HA3 GLY 74 HA1 GLY 74 -3.272 -15.391 -5.217 578 H LEU 75 H LEU 75 -5.267 -14.975 -2.445 579 HA LEU 75 HA LEU 75 -2.896 -15.319 -0.745 580 HB2 LEU 75 HB2 LEU 75 -5.448 -13.816 -0.167 581 HB3 LEU 75 HB1 LEU 75 -4.048 -13.901 0.883 582 HG LEU 75 HG LEU 75 -4.307 -12.462 -1.749 583 HD11 LEU 75 HD11 LEU 75 -3.697 -10.530 -0.423 584 HD12 LEU 75 HD12 LEU 75 -3.527 -11.543 1.011 585 HD13 LEU 75 HD13 LEU 75 -5.111 -11.328 0.267 586 HD21 LEU 75 HD21 LEU 75 -2.162 -13.611 -1.760 587 HD22 LEU 75 HD22 LEU 75 -1.797 -12.977 -0.155 588 HD23 LEU 75 HD23 LEU 75 -1.937 -11.878 -1.528 589 H LYS 76 H LYS 76 -2.807 -17.034 0.533 590 HA LYS 76 HA LYS 76 -5.228 -18.562 1.080 591 HB2 LYS 76 HB2 LYS 76 -2.336 -19.087 1.791 592 HB3 LYS 76 HB1 LYS 76 -3.668 -20.186 2.115 593 HG2 LYS 76 HG2 LYS 76 -4.072 -20.405 -0.286 594 HG3 LYS 76 HG1 LYS 76 -2.729 -19.304 -0.608 595 HD2 LYS 76 HD2 LYS 76 -1.181 -20.849 0.449 596 HD3 LYS 76 HD1 LYS 76 -2.511 -21.935 0.854 597 HE2 LYS 76 HE2 LYS 76 -1.341 -22.751 -1.094 598 HE3 LYS 76 HE1 LYS 76 -2.966 -22.237 -1.539 599 HZ1 LYS 76 HZ1 LYS 76 -0.492 -20.644 -1.939 600 HZ2 LYS 76 HZ2 LYS 76 -2.048 -20.177 -2.398 601 HZ3 LYS 76 HZ3 LYS 76 -1.309 -21.501 -3.146 602 HA PRO 77 HA PRO 77 -5.741 -16.415 4.996 603 HB2 PRO 77 HB2 PRO 77 -7.572 -18.678 5.533 604 HB3 PRO 77 HB1 PRO 77 -7.890 -16.941 5.575 605 HG2 PRO 77 HG2 PRO 77 -8.832 -18.480 3.600 606 HG3 PRO 77 HG1 PRO 77 -8.279 -16.822 3.300 607 HD2 PRO 77 HD2 PRO 77 -6.899 -19.415 2.733 608 HD3 PRO 77 HD1 PRO 77 -6.944 -17.924 1.770 609 H GLY 78 H GLY 78 -4.195 -16.649 6.476 610 HA2 GLY 78 HA2 GLY 78 -3.582 -17.842 8.525 611 HA3 GLY 78 HA1 GLY 78 -3.763 -19.341 7.622 612 H VAL 79 H VAL 79 -2.507 -17.865 5.283 613 HA VAL 79 HA VAL 79 0.258 -18.433 5.995 614 HB VAL 79 HB VAL 79 -0.992 -17.700 3.333 615 HG11 VAL 79 HG11 VAL 79 1.808 -18.613 3.955 616 HG12 VAL 79 HG12 VAL 79 1.337 -17.002 3.407 617 HG13 VAL 79 HG13 VAL 79 1.130 -18.395 2.342 618 HG21 VAL 79 HG21 VAL 79 -0.562 -20.044 2.753 619 HG22 VAL 79 HG22 VAL 79 -1.688 -19.889 4.104 620 HG23 VAL 79 HG23 VAL 79 -0.006 -20.335 4.402 621 H VAL 80 H VAL 80 1.811 -16.882 6.209 622 HA VAL 80 HA VAL 80 0.843 -14.210 6.655 623 HB VAL 80 HB VAL 80 3.657 -15.283 6.907 624 HG11 VAL 80 HG11 VAL 80 3.575 -12.848 6.671 625 HG12 VAL 80 HG12 VAL 80 4.062 -13.321 8.299 626 HG13 VAL 80 HG13 VAL 80 2.417 -12.757 7.999 627 HG21 VAL 80 HG21 VAL 80 2.101 -16.452 8.379 628 HG22 VAL 80 HG22 VAL 80 1.515 -14.909 9.000 629 HG23 VAL 80 HG23 VAL 80 3.179 -15.409 9.304 630 H TYR 81 H TYR 81 0.610 -12.844 5.048 631 HA TYR 81 HA TYR 81 2.681 -12.749 2.953 632 HB2 TYR 81 HB2 TYR 81 -0.164 -11.713 2.893 633 HB3 TYR 81 HB1 TYR 81 1.010 -11.499 1.605 634 HD1 TYR 81 HD1 TYR 81 -1.052 -13.972 3.395 635 HD2 TYR 81 HD2 TYR 81 1.449 -13.246 0.038 636 HE1 TYR 81 HE1 TYR 81 -1.810 -16.079 2.386 637 HE2 TYR 81 HE2 TYR 81 0.706 -15.360 -0.976 638 HH TYR 81 HH TYR 81 -0.244 -17.507 -0.266 639 H GLU 82 H GLU 82 3.872 -10.932 2.739 640 HA GLU 82 HA GLU 82 3.198 -8.643 4.468 641 HB2 GLU 82 HB2 GLU 82 5.763 -9.230 2.975 642 HB3 GLU 82 HB1 GLU 82 5.495 -7.892 4.081 643 HG2 GLU 82 HG2 GLU 82 5.152 -9.524 5.903 644 HG3 GLU 82 HG1 GLU 82 5.556 -10.816 4.770 645 H GLY 83 H GLY 83 2.609 -6.713 3.563 646 HA2 GLY 83 HA2 GLY 83 3.100 -6.358 0.705 647 HA3 GLY 83 HA1 GLY 83 1.426 -6.342 1.245 648 H GLN 84 H GLN 84 2.594 -4.258 -0.105 649 HA GLN 84 HA GLN 84 2.565 -2.161 1.942 650 HB2 GLN 84 HB2 GLN 84 4.457 -1.991 -0.387 651 HB3 GLN 84 HB1 GLN 84 4.480 -1.081 1.118 652 HG2 GLN 84 HG2 GLN 84 5.037 -3.214 2.292 653 HG3 GLN 84 HG1 GLN 84 5.220 -3.960 0.708 654 HE21 GLN 84 HE21 GLN 84 7.157 -3.685 2.751 655 HE22 GLN 84 HE22 GLN 84 8.467 -2.739 2.113 656 H LEU 85 H LEU 85 1.334 -0.494 1.422 657 HA LEU 85 HA LEU 85 0.299 -0.285 -1.315 658 HB2 LEU 85 HB2 LEU 85 -1.275 -0.440 0.659 659 HB3 LEU 85 HB1 LEU 85 -0.654 1.103 1.202 660 HG LEU 85 HG LEU 85 -2.894 1.114 -0.007 661 HD11 LEU 85 HD11 LEU 85 -1.572 3.138 0.375 662 HD12 LEU 85 HD12 LEU 85 -2.449 3.192 -1.153 663 HD13 LEU 85 HD13 LEU 85 -0.719 2.855 -1.143 664 HD21 LEU 85 HD21 LEU 85 -2.220 -0.453 -1.793 665 HD22 LEU 85 HD22 LEU 85 -1.142 0.784 -2.436 666 HD23 LEU 85 HD23 LEU 85 -2.885 1.056 -2.410 667 H ILE 86 H ILE 86 1.747 0.887 -2.465 668 HA ILE 86 HA ILE 86 2.946 3.252 -1.209 669 HB ILE 86 HB ILE 86 3.663 2.082 -3.904 670 HG12 ILE 86 HG12 ILE 86 5.795 1.421 -2.472 671 HG13 ILE 86 HG11 ILE 86 4.629 1.409 -1.155 672 HG21 ILE 86 HG21 ILE 86 5.672 3.419 -3.701 673 HG22 ILE 86 HG22 ILE 86 5.164 3.984 -2.109 674 HG23 ILE 86 HG23 ILE 86 4.245 4.444 -3.545 675 HD11 ILE 86 HD11 ILE 86 4.464 -0.230 -3.673 676 HD12 ILE 86 HD12 ILE 86 3.292 -0.241 -2.354 677 HD13 ILE 86 HD13 ILE 86 4.937 -0.808 -2.076 678 H SER 87 H SER 87 1.886 5.081 -1.476 679 HA SER 87 HA SER 87 0.187 5.433 -3.836 680 HB2 SER 87 HB2 SER 87 0.400 7.165 -1.367 681 HB3 SER 87 HB1 SER 87 -0.840 7.256 -2.615 682 HG SER 87 HG SER 87 -0.434 4.838 -1.262 683 H ILE 88 H ILE 88 0.699 6.795 -5.438 684 HA ILE 88 HA ILE 88 3.109 8.449 -5.144 685 HB ILE 88 HB ILE 88 1.553 7.845 -7.668 686 HG12 ILE 88 HG12 ILE 88 2.460 5.772 -6.728 687 HG13 ILE 88 HG11 ILE 88 3.327 6.223 -8.191 688 HG21 ILE 88 HG21 ILE 88 3.584 8.603 -8.812 689 HG22 ILE 88 HG22 ILE 88 4.316 8.983 -7.253 690 HG23 ILE 88 HG23 ILE 88 2.892 9.869 -7.799 691 HD11 ILE 88 HD11 ILE 88 5.163 7.081 -6.854 692 HD12 ILE 88 HD12 ILE 88 4.828 5.393 -6.467 693 HD13 ILE 88 HD13 ILE 88 4.291 6.671 -5.377 694 H GLN 89 H GLN 89 2.924 10.601 -4.898 695 HA GLN 89 HA GLN 89 0.258 11.772 -5.153 696 HB2 GLN 89 HB2 GLN 89 2.781 12.803 -3.859 697 HB3 GLN 89 HB1 GLN 89 1.294 13.728 -3.972 698 HG2 GLN 89 HG2 GLN 89 0.151 11.971 -2.665 699 HG3 GLN 89 HG1 GLN 89 1.703 11.149 -2.481 700 HE21 GLN 89 HE21 GLN 89 1.698 11.394 -0.246 701 HE22 GLN 89 HE22 GLN 89 1.975 12.926 0.519 702 H GLN 90 H GLN 90 0.523 14.287 -5.620 703 HA GLN 90 HA GLN 90 0.790 14.591 -8.349 704 HB2 GLN 90 HB2 GLN 90 -0.427 16.137 -6.883 705 HB3 GLN 90 HB1 GLN 90 1.093 16.696 -6.201 706 HG2 GLN 90 HG2 GLN 90 1.734 17.427 -8.518 707 HG3 GLN 90 HG1 GLN 90 0.072 17.089 -8.997 708 HE21 GLN 90 HE21 GLN 90 -0.927 17.950 -6.346 709 HE22 GLN 90 HE22 GLN 90 -0.878 19.676 -6.383 710 H TYR 91 H TYR 91 3.179 15.296 -5.822 711 HA TYR 91 HA TYR 91 5.049 16.366 -7.762 712 HB2 TYR 91 HB2 TYR 91 5.396 15.922 -4.791 713 HB3 TYR 91 HB1 TYR 91 6.458 16.862 -5.832 714 HD1 TYR 91 HD1 TYR 91 5.715 19.044 -6.716 715 HD2 TYR 91 HD2 TYR 91 3.330 16.823 -3.983 716 HE1 TYR 91 HE1 TYR 91 4.384 21.059 -6.245 717 HE2 TYR 91 HE2 TYR 91 1.996 18.828 -3.509 718 HH TYR 91 HH TYR 91 2.233 21.691 -5.397 719 H GLY 92 H GLY 92 4.215 13.376 -7.406 720 HA2 GLY 92 HA2 GLY 92 5.280 11.392 -7.899 721 HA3 GLY 92 HA1 GLY 92 6.778 12.296 -8.082 722 H HIS 93 H HIS 93 5.113 12.775 -5.144 723 HA HIS 93 HA HIS 93 7.273 11.604 -3.657 724 HB2 HIS 93 HB2 HIS 93 5.684 13.689 -3.116 725 HB3 HIS 93 HB1 HIS 93 4.754 12.440 -2.297 726 HD1 HIS 93 HD1 HIS 93 5.514 11.815 0.019 727 HD2 HIS 93 HD2 HIS 93 8.419 13.887 -2.131 728 HE1 HIS 93 HE1 HIS 93 7.389 12.252 1.638 729 HE2 HIS 93 HE2 HIS 93 9.048 13.647 0.361 730 H GLN 94 H GLN 94 7.334 9.631 -2.756 731 HA GLN 94 HA GLN 94 5.033 7.897 -3.278 732 HB2 GLN 94 HB2 GLN 94 7.872 7.137 -2.568 733 HB3 GLN 94 HB1 GLN 94 6.594 6.040 -3.075 734 HG2 GLN 94 HG2 GLN 94 6.515 7.211 -5.252 735 HG3 GLN 94 HG1 GLN 94 7.886 8.190 -4.737 736 HE21 GLN 94 HE21 GLN 94 7.648 6.342 -6.975 737 HE22 GLN 94 HE22 GLN 94 8.887 5.157 -6.758 738 H GLU 95 H GLU 95 3.737 7.393 -1.666 739 HA GLU 95 HA GLU 95 4.788 7.451 1.082 740 HB2 GLU 95 HB2 GLU 95 1.914 7.462 0.135 741 HB3 GLU 95 HB1 GLU 95 2.451 7.588 1.803 742 HG2 GLU 95 HG2 GLU 95 2.877 9.590 -0.395 743 HG3 GLU 95 HG1 GLU 95 1.831 9.756 1.013 744 H VAL 96 H VAL 96 5.325 5.522 1.867 745 HA VAL 96 HA VAL 96 4.076 3.147 0.672 746 HB VAL 96 HB VAL 96 6.656 3.330 2.237 747 HG11 VAL 96 HG11 VAL 96 5.601 1.143 2.420 748 HG12 VAL 96 HG12 VAL 96 7.056 1.053 1.428 749 HG13 VAL 96 HG13 VAL 96 5.466 1.047 0.665 750 HG21 VAL 96 HG21 VAL 96 7.726 2.921 0.026 751 HG22 VAL 96 HG22 VAL 96 6.921 4.484 0.152 752 HG23 VAL 96 HG23 VAL 96 6.151 3.167 -0.733 753 H THR 97 H THR 97 2.371 2.550 1.846 754 HA THR 97 HA THR 97 2.629 2.493 4.773 755 HB THR 97 HB THR 97 0.098 2.169 3.150 756 HG1 THR 97 HG1 THR 97 1.444 4.476 4.097 757 HG21 THR 97 HG21 THR 97 -0.990 2.808 5.256 758 HG22 THR 97 HG22 THR 97 0.585 2.892 6.041 759 HG23 THR 97 HG23 THR 97 -0.022 1.346 5.450 760 H ARG 98 H ARG 98 3.237 0.574 5.561 761 HA ARG 98 HA ARG 98 2.983 -1.799 3.910 762 HB2 ARG 98 HB2 ARG 98 4.295 -1.438 6.607 763 HB3 ARG 98 HB1 ARG 98 4.419 -2.864 5.586 764 HG2 ARG 98 HG2 ARG 98 5.558 -1.553 3.875 765 HG3 ARG 98 HG1 ARG 98 5.417 -0.111 4.881 766 HD2 ARG 98 HD2 ARG 98 6.940 -2.627 5.548 767 HD3 ARG 98 HD1 ARG 98 7.633 -1.071 5.096 768 HE ARG 98 HE ARG 98 6.029 -0.626 7.314 769 HH11 ARG 98 HH11 ARG 98 8.916 -2.423 6.513 770 HH12 ARG 98 HH12 ARG 98 9.553 -2.367 8.124 771 HH21 ARG 98 HH21 ARG 98 6.855 -0.557 9.446 772 HH22 ARG 98 HH22 ARG 98 8.386 -1.296 9.791 773 H PHE 99 H PHE 99 1.987 -3.720 4.521 774 HA PHE 99 HA PHE 99 0.464 -3.845 6.986 775 HB2 PHE 99 HB2 PHE 99 -1.665 -4.356 5.872 776 HB3 PHE 99 HB1 PHE 99 -1.115 -2.737 5.462 777 HD1 PHE 99 HD1 PHE 99 -0.311 -2.234 3.206 778 HD2 PHE 99 HD2 PHE 99 -1.824 -6.082 4.219 779 HE1 PHE 99 HE1 PHE 99 -0.550 -2.764 0.817 780 HE2 PHE 99 HE2 PHE 99 -2.062 -6.618 1.829 781 HZ PHE 99 HZ PHE 99 -1.426 -4.960 0.127 782 H ASP 100 H ASP 100 -0.813 -6.086 6.916 783 HA ASP 100 HA ASP 100 0.685 -8.109 5.435 784 HB2 ASP 100 HB2 ASP 100 1.236 -9.420 7.367 785 HB3 ASP 100 HB1 ASP 100 1.819 -7.788 7.666 786 H PHE 101 H PHE 101 -0.335 -10.344 5.842 787 HA PHE 101 HA PHE 101 -3.216 -10.069 6.384 788 HB2 PHE 101 HB2 PHE 101 -3.053 -10.080 3.990 789 HB3 PHE 101 HB1 PHE 101 -1.938 -11.442 4.012 790 HD1 PHE 101 HD1 PHE 101 -5.318 -10.721 5.440 791 HD2 PHE 101 HD2 PHE 101 -2.859 -13.372 3.204 792 HE1 PHE 101 HE1 PHE 101 -7.221 -12.257 5.171 793 HE2 PHE 101 HE2 PHE 101 -4.753 -14.915 2.933 794 HZ PHE 101 HZ PHE 101 -6.941 -14.358 3.918 795 H THR 102 H THR 102 -4.096 -11.610 7.569 796 HA THR 102 HA THR 102 -4.124 -13.136 9.235 797 HB THR 102 HB THR 102 -3.670 -15.508 8.371 798 HG1 THR 102 HG1 THR 102 -2.413 -14.412 6.486 799 HG21 THR 102 HG21 THR 102 -5.686 -13.743 6.985 800 HG22 THR 102 HG22 THR 102 -5.888 -14.500 8.564 801 HG23 THR 102 HG23 THR 102 -5.766 -15.499 7.117 802 H THR 103 H THR 103 -1.812 -11.744 9.584 803 HA THR 103 HA THR 103 0.149 -13.766 10.381 804 HB THR 103 HB THR 103 0.324 -10.790 10.875 805 HG1 THR 103 HG1 THR 103 0.284 -10.803 8.716 806 HG21 THR 103 HG21 THR 103 1.874 -12.202 12.145 807 HG22 THR 103 HG22 THR 103 2.731 -11.226 10.954 808 HG23 THR 103 HG23 THR 103 2.437 -12.937 10.644 809 H THR 104 H THR 104 -2.240 -11.556 11.621 810 HA THR 104 HA THR 104 -1.547 -11.964 14.388 811 HB THR 104 HB THR 104 -4.045 -10.666 13.292 812 HG1 THR 104 HG1 THR 104 -2.875 -8.749 13.247 813 HG21 THR 104 HG21 THR 104 -2.537 -10.213 15.868 814 HG22 THR 104 HG22 THR 104 -4.011 -11.167 15.716 815 HG23 THR 104 HG23 THR 104 -4.043 -9.436 15.382 816 H SER 105 H SER 105 -1.764 -14.382 13.937 817 HA SER 105 HA SER 105 -4.506 -15.350 13.936 818 HB2 SER 105 HB2 SER 105 -1.908 -16.902 13.976 819 HB3 SER 105 HB1 SER 105 -3.515 -17.558 13.666 820 HG SER 105 HG SER 105 -1.846 -16.608 11.900 821 H THR 106 H THR 106 -3.465 -13.863 16.222 822 HA THR 106 HA THR 106 -3.140 -15.785 18.346 823 HB THR 106 HB THR 106 -3.505 -13.516 19.693 824 HG1 THR 106 HG1 THR 106 -4.007 -12.141 18.048 825 HG21 THR 106 HG21 THR 106 -1.082 -13.103 19.493 826 HG22 THR 106 HG22 THR 106 -1.023 -14.191 18.107 827 HG23 THR 106 HG23 THR 106 -1.448 -14.814 19.701 828 H SER 107 H SER 107 -5.382 -16.577 17.287 829 HA SER 107 HA SER 107 -7.708 -15.280 18.364 830 HB2 SER 107 HB2 SER 107 -7.532 -18.110 17.318 831 HB3 SER 107 HB1 SER 107 -8.943 -17.052 17.355 832 HG SER 107 HG SER 107 -7.334 -15.669 15.978 833 H THR 108 H THR 108 -5.794 -18.148 19.107 834 HA THR 108 HA THR 108 -6.660 -17.920 21.896 835 HB THR 108 HB THR 108 -6.368 -20.575 20.464 836 HG1 THR 108 HG1 THR 108 -8.322 -20.001 19.787 837 HG21 THR 108 HG21 THR 108 -5.818 -20.667 22.846 838 HG22 THR 108 HG22 THR 108 -7.337 -21.503 22.523 839 HG23 THR 108 HG23 THR 108 -7.351 -19.891 23.238 840 HA PRO 109 HA PRO 109 -2.069 -18.086 21.485 841 HB2 PRO 109 HB2 PRO 109 -1.949 -15.925 23.386 842 HB3 PRO 109 HB1 PRO 109 -1.508 -15.904 21.679 843 HG2 PRO 109 HG2 PRO 109 -3.642 -14.538 22.731 844 HG3 PRO 109 HG1 PRO 109 -3.529 -15.058 21.042 845 HD2 PRO 109 HD2 PRO 109 -5.012 -16.312 23.317 846 HD3 PRO 109 HD1 PRO 109 -5.503 -16.120 21.618 847 H GLY 110 H GLY 110 -0.643 -19.063 22.838 848 HA2 GLY 110 HA2 GLY 110 -1.681 -20.192 25.280 849 HA3 GLY 110 HA1 GLY 110 -0.104 -20.505 24.569 850 H SER 111 H SER 111 -1.610 -19.200 27.161 851 HA SER 111 HA SER 111 0.209 -16.960 27.535 852 HB2 SER 111 HB2 SER 111 -1.222 -16.726 29.680 853 HB3 SER 111 HB1 SER 111 -1.987 -16.385 28.127 854 HG SER 111 HG SER 111 -3.381 -17.832 28.711 855 H ARG 112 H ARG 112 -0.793 -19.864 29.352 856 HA ARG 112 HA ARG 112 0.235 -21.096 30.964 857 HB2 ARG 112 HB2 ARG 112 2.722 -20.173 29.508 858 HB3 ARG 112 HB1 ARG 112 2.679 -21.463 30.700 859 HG2 ARG 112 HG2 ARG 112 1.205 -21.462 28.074 860 HG3 ARG 112 HG1 ARG 112 2.710 -22.318 28.410 861 HD2 ARG 112 HD2 ARG 112 1.549 -23.599 30.172 862 HD3 ARG 112 HD1 ARG 112 0.048 -22.778 29.748 863 HE ARG 112 HE ARG 112 1.016 -23.918 27.416 864 HH11 ARG 112 HH11 ARG 112 -0.125 -24.987 30.543 865 HH12 ARG 112 HH12 ARG 112 -0.674 -26.525 29.959 866 HH21 ARG 112 HH21 ARG 112 0.285 -25.938 26.638 867 HH22 ARG 112 HH22 ARG 112 -0.456 -27.060 27.733 868 H SER 113 H SER 113 -0.550 -19.521 32.508 869 HA SER 113 HA SER 113 0.862 -17.192 33.207 870 HB2 SER 113 HB2 SER 113 -0.632 -17.320 35.281 871 HB3 SER 113 HB1 SER 113 -1.438 -17.250 33.715 872 HG SER 113 HG SER 113 -1.932 -18.984 35.495 873 H HIS 114 H HIS 114 1.155 -20.486 34.307 874 HA HIS 114 HA HIS 114 2.584 -19.899 36.711 875 HB2 HIS 114 HB2 HIS 114 1.328 -22.023 36.277 876 HB3 HIS 114 HB1 HIS 114 2.568 -22.473 35.117 877 HD1 HIS 114 HD1 HIS 114 1.875 -22.274 38.769 878 HD2 HIS 114 HD2 HIS 114 5.010 -23.310 36.247 879 HE1 HIS 114 HE1 HIS 114 3.540 -23.473 40.218 880 HE2 HIS 114 HE2 HIS 114 5.336 -24.246 38.634 881 H HIS 115 H HIS 115 3.423 -19.685 33.466 882 HA HIS 115 HA HIS 115 6.271 -20.148 33.978 883 HB2 HIS 115 HB2 HIS 115 4.726 -19.684 31.427 884 HB3 HIS 115 HB1 HIS 115 6.483 -19.704 31.486 885 HD1 HIS 115 HD1 HIS 115 5.184 -21.746 29.731 886 HD2 HIS 115 HD2 HIS 115 5.958 -22.431 33.757 887 HE1 HIS 115 HE1 HIS 115 5.279 -24.242 29.987 888 HE2 HIS 115 HE2 HIS 115 5.964 -24.617 32.377 889 H HIS 116 H HIS 116 4.456 -17.796 34.819 890 HA HIS 116 HA HIS 116 6.261 -15.679 33.837 891 HB2 HIS 116 HB2 HIS 116 3.333 -15.488 34.577 892 HB3 HIS 116 HB1 HIS 116 4.366 -14.089 34.315 893 HD1 HIS 116 HD1 HIS 116 4.331 -13.190 32.017 894 HD2 HIS 116 HD2 HIS 116 3.208 -17.186 32.132 895 HE1 HIS 116 HE1 HIS 116 3.654 -13.768 29.666 896 HE2 HIS 116 HE2 HIS 116 2.840 -16.150 29.795 897 H HIS 117 H HIS 117 7.706 -15.425 35.456 898 HA HIS 117 HA HIS 117 7.038 -15.709 38.211 899 HB2 HIS 117 HB2 HIS 117 9.434 -14.558 36.795 900 HB3 HIS 117 HB1 HIS 117 9.286 -14.520 38.547 901 HD1 HIS 117 HD1 HIS 117 10.877 -16.422 36.082 902 HD2 HIS 117 HD2 HIS 117 8.633 -17.407 39.440 903 HE1 HIS 117 HE1 HIS 117 11.542 -18.772 36.674 904 HE2 HIS 117 HE2 HIS 117 10.069 -19.397 38.618 905 H HIS 118 H HIS 118 7.013 -13.081 35.947 906 HA HIS 118 HA HIS 118 6.676 -11.042 37.957 907 HB2 HIS 118 HB2 HIS 118 6.435 -10.997 34.948 908 HB3 HIS 118 HB1 HIS 118 6.118 -9.589 35.953 909 HD1 HIS 118 HD1 HIS 118 8.883 -11.695 34.609 910 HD2 HIS 118 HD2 HIS 118 8.389 -8.406 37.101 911 HE1 HIS 118 HE1 HIS 118 11.184 -10.732 34.921 912 HE2 HIS 118 HE2 HIS 118 10.820 -8.624 36.252 913 H HIS 119 H HIS 119 4.928 -12.186 39.015 914 HA HIS 119 HA HIS 119 2.338 -11.523 37.787 915 HB2 HIS 119 HB2 HIS 119 2.593 -13.951 37.853 916 HB3 HIS 119 HB1 HIS 119 3.018 -13.887 39.559 917 HD1 HIS 119 HD1 HIS 119 0.069 -13.378 37.251 918 HD2 HIS 119 HD2 HIS 119 0.881 -13.919 41.292 919 HE1 HIS 119 HE1 HIS 119 -2.165 -13.710 38.353 920 HE2 HIS 119 HE2 HIS 119 -1.657 -13.998 40.802 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 -3.602 28.943 14.834 2 H2 GLY 1 HT2 GLY 1 -3.819 29.670 13.322 3 H3 GLY 1 HT3 GLY 1 -2.695 28.425 13.507 4 HA2 GLY 1 HA1 GLY 1 -5.630 28.159 13.790 5 HA3 GLY 1 HA2 GLY 1 -4.681 27.618 12.413 6 H SER 2 H SER 2 -6.360 25.976 14.021 7 HA SER 2 HA SER 2 -4.474 24.397 15.601 8 HB2 SER 2 HB2 SER 2 -6.681 25.009 16.588 9 HB3 SER 2 HB1 SER 2 -7.472 24.072 15.323 10 HG SER 2 HG SER 2 -6.721 22.224 16.185 11 H GLN 3 H GLN 3 -6.804 24.007 12.932 12 HA GLN 3 HA GLN 3 -6.008 21.273 12.511 13 HB2 GLN 3 HB2 GLN 3 -8.322 22.003 12.081 14 HB3 GLN 3 HB1 GLN 3 -7.744 23.059 10.799 15 HG2 GLN 3 HG2 GLN 3 -6.931 21.126 9.559 16 HG3 GLN 3 HG1 GLN 3 -7.493 20.061 10.844 17 HE21 GLN 3 HE21 GLN 3 -9.248 22.882 9.750 18 HE22 GLN 3 HE22 GLN 3 -10.563 22.016 9.032 19 H THR 4 H THR 4 -3.924 21.119 11.905 20 HA THR 4 HA THR 4 -3.226 22.368 9.332 21 HB THR 4 HB THR 4 -1.249 21.730 11.531 22 HG1 THR 4 HG1 THR 4 -2.642 24.131 10.902 23 HG21 THR 4 HG21 THR 4 -1.025 23.415 9.029 24 HG22 THR 4 HG22 THR 4 -0.326 21.812 9.257 25 HG23 THR 4 HG23 THR 4 0.247 23.170 10.228 26 H THR 5 H THR 5 -3.659 20.633 8.035 27 HA THR 5 HA THR 5 -2.918 17.968 8.772 28 HB THR 5 HB THR 5 -4.873 18.314 7.362 29 HG1 THR 5 HG1 THR 5 -3.962 16.945 5.472 30 HG21 THR 5 HG21 THR 5 -2.934 19.350 5.294 31 HG22 THR 5 HG22 THR 5 -4.150 20.300 6.148 32 HG23 THR 5 HG23 THR 5 -4.648 19.032 5.028 33 H ALA 6 H ALA 6 -1.328 16.685 7.820 34 HA ALA 6 HA ALA 6 0.713 17.970 6.218 35 HB1 ALA 6 HB1 ALA 6 1.333 18.571 8.511 36 HB2 ALA 6 HB2 ALA 6 2.531 17.521 7.754 37 HB3 ALA 6 HB3 ALA 6 1.401 16.862 8.934 38 HA PRO 7 HA PRO 7 1.556 13.164 6.555 39 HB2 PRO 7 HB2 PRO 7 -1.098 12.217 7.472 40 HB3 PRO 7 HB1 PRO 7 0.515 11.654 7.919 41 HG2 PRO 7 HG2 PRO 7 -0.944 13.086 9.623 42 HG3 PRO 7 HG1 PRO 7 0.809 13.330 9.495 43 HD2 PRO 7 HD2 PRO 7 -1.422 14.968 8.346 44 HD3 PRO 7 HD1 PRO 7 0.078 15.504 9.132 45 H ASP 8 H ASP 8 1.547 13.190 4.375 46 HA ASP 8 HA ASP 8 -1.007 13.061 2.951 47 HB2 ASP 8 HB2 ASP 8 0.306 13.491 0.917 48 HB3 ASP 8 HB1 ASP 8 0.599 14.725 2.135 49 H ALA 9 H ALA 9 0.544 10.925 4.505 50 HA ALA 9 HA ALA 9 0.751 8.873 2.438 51 HB1 ALA 9 HB1 ALA 9 1.653 7.460 4.227 52 HB2 ALA 9 HB2 ALA 9 1.391 8.765 5.383 53 HB3 ALA 9 HB3 ALA 9 2.552 8.967 4.072 54 HA PRO 10 HA PRO 10 -3.386 7.418 3.355 55 HB2 PRO 10 HB2 PRO 10 -2.404 4.825 2.340 56 HB3 PRO 10 HB1 PRO 10 -3.730 5.832 1.749 57 HG2 PRO 10 HG2 PRO 10 -1.432 5.600 0.389 58 HG3 PRO 10 HG1 PRO 10 -2.342 7.120 0.431 59 HD2 PRO 10 HD2 PRO 10 0.116 6.352 1.939 60 HD3 PRO 10 HD1 PRO 10 -0.299 7.885 1.194 61 HA PRO 11 HA PRO 11 -2.546 5.648 7.419 62 HB2 PRO 11 HB2 PRO 11 -5.484 5.193 7.137 63 HB3 PRO 11 HB1 PRO 11 -4.576 5.874 8.493 64 HG2 PRO 11 HG2 PRO 11 -5.949 7.469 6.885 65 HG3 PRO 11 HG1 PRO 11 -4.343 7.947 7.465 66 HD2 PRO 11 HD2 PRO 11 -5.160 6.919 4.782 67 HD3 PRO 11 HD1 PRO 11 -3.955 8.154 5.200 68 H ASP 12 H ASP 12 -2.596 3.611 8.345 69 HA ASP 12 HA ASP 12 -1.929 1.472 6.813 70 HB2 ASP 12 HB2 ASP 12 -3.228 1.443 9.540 71 HB3 ASP 12 HB1 ASP 12 -2.439 0.052 8.805 72 HA PRO 13 HA PRO 13 -5.789 0.390 4.812 73 HB2 PRO 13 HB2 PRO 13 -4.170 -1.920 3.917 74 HB3 PRO 13 HB1 PRO 13 -5.061 -0.733 2.960 75 HG2 PRO 13 HG2 PRO 13 -2.394 -0.692 3.070 76 HG3 PRO 13 HG1 PRO 13 -3.336 0.811 3.028 77 HD2 PRO 13 HD2 PRO 13 -2.015 -0.533 5.353 78 HD3 PRO 13 HD1 PRO 13 -2.104 1.194 4.946 79 H THR 14 H THR 14 -7.396 -1.076 5.148 80 HA THR 14 HA THR 14 -6.890 -3.138 7.196 81 HB THR 14 HB THR 14 -9.602 -2.021 6.510 82 HG1 THR 14 HG1 THR 14 -7.989 -1.072 8.654 83 HG21 THR 14 HG21 THR 14 -8.481 -3.320 8.996 84 HG22 THR 14 HG22 THR 14 -9.543 -4.086 7.814 85 HG23 THR 14 HG23 THR 14 -10.136 -2.745 8.795 86 H VAL 15 H VAL 15 -7.488 -5.227 6.778 87 HA VAL 15 HA VAL 15 -8.363 -5.790 4.037 88 HB VAL 15 HB VAL 15 -6.989 -7.552 6.076 89 HG11 VAL 15 HG11 VAL 15 -8.529 -8.904 4.794 90 HG12 VAL 15 HG12 VAL 15 -6.876 -9.237 4.277 91 HG13 VAL 15 HG13 VAL 15 -7.921 -8.217 3.289 92 HG21 VAL 15 HG21 VAL 15 -5.141 -7.537 4.457 93 HG22 VAL 15 HG22 VAL 15 -5.518 -5.915 5.038 94 HG23 VAL 15 HG23 VAL 15 -6.054 -6.426 3.435 95 H ASP 16 H ASP 16 -10.386 -6.371 3.706 96 HA ASP 16 HA ASP 16 -11.864 -7.694 5.887 97 HB2 ASP 16 HB2 ASP 16 -12.737 -5.453 4.084 98 HB3 ASP 16 HB1 ASP 16 -13.918 -6.544 4.801 99 H GLN 17 H GLN 17 -13.804 -8.863 5.097 100 HA GLN 17 HA GLN 17 -14.658 -10.618 3.946 101 HB2 GLN 17 HB2 GLN 17 -14.087 -8.829 1.586 102 HB3 GLN 17 HB1 GLN 17 -15.234 -10.139 1.623 103 HG2 GLN 17 HG2 GLN 17 -16.464 -8.932 3.418 104 HG3 GLN 17 HG1 GLN 17 -15.367 -7.574 3.178 105 HE21 GLN 17 HE21 GLN 17 -18.236 -7.682 2.859 106 HE22 GLN 17 HE22 GLN 17 -18.566 -7.231 1.222 107 H VAL 18 H VAL 18 -12.649 -11.801 4.580 108 HA VAL 18 HA VAL 18 -10.794 -12.328 2.418 109 HB VAL 18 HB VAL 18 -9.818 -12.196 4.607 110 HG11 VAL 18 HG11 VAL 18 -10.374 -13.764 6.408 111 HG12 VAL 18 HG12 VAL 18 -11.677 -14.424 5.421 112 HG13 VAL 18 HG13 VAL 18 -11.747 -12.750 5.967 113 HG21 VAL 18 HG21 VAL 18 -9.877 -15.067 3.688 114 HG22 VAL 18 HG22 VAL 18 -8.670 -14.351 4.755 115 HG23 VAL 18 HG23 VAL 18 -8.807 -13.803 3.084 116 H ASP 19 H ASP 19 -11.124 -13.798 0.930 117 HA ASP 19 HA ASP 19 -13.094 -15.929 1.371 118 HB2 ASP 19 HB2 ASP 19 -11.681 -15.083 -1.173 119 HB3 ASP 19 HB1 ASP 19 -12.950 -16.292 -1.055 120 H ASP 20 H ASP 20 -12.023 -17.679 -0.607 121 HA ASP 20 HA ASP 20 -10.195 -19.180 0.951 122 HB2 ASP 20 HB2 ASP 20 -10.844 -19.478 -1.990 123 HB3 ASP 20 HB1 ASP 20 -10.067 -20.687 -0.974 124 H THR 21 H THR 21 -9.825 -17.267 -2.020 125 HA THR 21 HA THR 21 -6.953 -17.073 -1.445 126 HB THR 21 HB THR 21 -6.540 -17.233 -3.946 127 HG1 THR 21 HG1 THR 21 -9.262 -17.850 -3.824 128 HG21 THR 21 HG21 THR 21 -5.915 -19.033 -2.440 129 HG22 THR 21 HG22 THR 21 -6.537 -19.693 -3.952 130 HG23 THR 21 HG23 THR 21 -7.550 -19.688 -2.509 131 H SER 22 H SER 22 -9.331 -15.201 -1.234 132 HA SER 22 HA SER 22 -8.065 -12.984 -2.634 133 HB2 SER 22 HB2 SER 22 -10.374 -12.191 -3.393 134 HB3 SER 22 HB1 SER 22 -9.676 -13.550 -4.273 135 HG SER 22 HG SER 22 -11.791 -13.523 -2.400 136 H ILE 23 H ILE 23 -8.392 -10.978 -1.716 137 HA ILE 23 HA ILE 23 -10.078 -10.826 0.694 138 HB ILE 23 HB ILE 23 -8.393 -9.554 1.889 139 HG12 ILE 23 HG12 ILE 23 -6.386 -10.175 -0.262 140 HG13 ILE 23 HG11 ILE 23 -7.370 -8.719 -0.341 141 HG21 ILE 23 HG21 ILE 23 -7.273 -12.153 0.857 142 HG22 ILE 23 HG22 ILE 23 -8.357 -11.949 2.233 143 HG23 ILE 23 HG23 ILE 23 -6.717 -11.305 2.299 144 HD11 ILE 23 HD11 ILE 23 -5.315 -9.469 1.705 145 HD12 ILE 23 HD12 ILE 23 -6.487 -8.179 1.966 146 HD13 ILE 23 HD13 ILE 23 -5.344 -8.070 0.628 147 H VAL 24 H VAL 24 -10.688 -8.617 1.240 148 HA VAL 24 HA VAL 24 -10.374 -6.736 -1.002 149 HB VAL 24 HB VAL 24 -12.336 -6.611 1.302 150 HG11 VAL 24 HG11 VAL 24 -12.139 -4.948 -1.209 151 HG12 VAL 24 HG12 VAL 24 -11.759 -4.409 0.426 152 HG13 VAL 24 HG13 VAL 24 -13.416 -4.838 0.003 153 HG21 VAL 24 HG21 VAL 24 -14.040 -7.213 -0.336 154 HG22 VAL 24 HG22 VAL 24 -12.815 -8.476 -0.205 155 HG23 VAL 24 HG23 VAL 24 -12.800 -7.372 -1.581 156 H VAL 25 H VAL 25 -8.586 -5.572 -0.685 157 HA VAL 25 HA VAL 25 -7.961 -4.642 2.025 158 HB VAL 25 HB VAL 25 -6.073 -5.734 1.089 159 HG11 VAL 25 HG11 VAL 25 -6.506 -4.084 -1.385 160 HG12 VAL 25 HG12 VAL 25 -6.664 -5.834 -1.214 161 HG13 VAL 25 HG13 VAL 25 -5.079 -5.075 -1.080 162 HG21 VAL 25 HG21 VAL 25 -4.388 -3.972 0.896 163 HG22 VAL 25 HG22 VAL 25 -5.493 -3.690 2.245 164 HG23 VAL 25 HG23 VAL 25 -5.671 -2.770 0.750 165 H ARG 26 H ARG 26 -8.461 -2.655 2.573 166 HA ARG 26 HA ARG 26 -8.774 -0.628 0.456 167 HB2 ARG 26 HB2 ARG 26 -10.521 -0.894 2.906 168 HB3 ARG 26 HB1 ARG 26 -10.698 0.282 1.616 169 HG2 ARG 26 HG2 ARG 26 -11.203 -1.530 0.046 170 HG3 ARG 26 HG1 ARG 26 -11.063 -2.694 1.365 171 HD2 ARG 26 HD2 ARG 26 -13.393 -2.149 0.948 172 HD3 ARG 26 HD1 ARG 26 -12.897 -1.577 2.539 173 HE ARG 26 HE ARG 26 -12.509 0.567 0.892 174 HH11 ARG 26 HH11 ARG 26 -15.231 -1.481 1.677 175 HH12 ARG 26 HH12 ARG 26 -16.410 -0.237 1.405 176 HH21 ARG 26 HH21 ARG 26 -14.036 2.211 0.542 177 HH22 ARG 26 HH22 ARG 26 -15.725 1.876 0.757 178 H TRP 27 H TRP 27 -8.438 1.565 1.154 179 HA TRP 27 HA TRP 27 -7.128 1.912 3.733 180 HB2 TRP 27 HB2 TRP 27 -5.243 3.162 2.596 181 HB3 TRP 27 HB1 TRP 27 -5.234 1.418 2.375 182 HD1 TRP 27 HD1 TRP 27 -5.608 4.677 0.453 183 HE1 TRP 27 HE1 TRP 27 -5.554 4.171 -2.068 184 HE3 TRP 27 HE3 TRP 27 -5.815 -0.432 0.635 185 HZ2 TRP 27 HZ2 TRP 27 -5.589 1.913 -3.757 186 HZ3 TRP 27 HZ3 TRP 27 -5.800 -1.687 -1.481 187 HH2 TRP 27 HH2 TRP 27 -5.690 -0.539 -3.632 188 H SER 28 H SER 28 -6.669 4.267 4.147 189 HA SER 28 HA SER 28 -9.042 5.752 3.325 190 HB2 SER 28 HB2 SER 28 -7.050 6.283 5.537 191 HB3 SER 28 HB1 SER 28 -8.531 7.199 5.251 192 HG SER 28 HG SER 28 -8.348 4.433 5.886 193 H ARG 29 H ARG 29 -8.972 7.864 2.553 194 HA ARG 29 HA ARG 29 -6.717 8.558 0.935 195 HB2 ARG 29 HB2 ARG 29 -9.302 9.972 1.592 196 HB3 ARG 29 HB1 ARG 29 -8.073 10.689 0.563 197 HG2 ARG 29 HG2 ARG 29 -9.303 8.013 -0.017 198 HG3 ARG 29 HG1 ARG 29 -9.991 9.531 -0.599 199 HD2 ARG 29 HD2 ARG 29 -7.163 8.626 -1.133 200 HD3 ARG 29 HD1 ARG 29 -8.509 8.384 -2.246 201 HE ARG 29 HE ARG 29 -8.165 11.120 -1.446 202 HH11 ARG 29 HH11 ARG 29 -7.014 8.675 -3.679 203 HH12 ARG 29 HH12 ARG 29 -6.657 9.819 -4.933 204 HH21 ARG 29 HH21 ARG 29 -7.661 12.612 -3.071 205 HH22 ARG 29 HH22 ARG 29 -7.009 12.058 -4.579 206 HA PRO 30 HA PRO 30 -4.613 10.989 4.030 207 HB2 PRO 30 HB2 PRO 30 -3.213 12.336 1.854 208 HB3 PRO 30 HB1 PRO 30 -2.572 11.235 3.073 209 HG2 PRO 30 HG2 PRO 30 -2.784 10.566 0.455 210 HG3 PRO 30 HG1 PRO 30 -2.910 9.380 1.767 211 HD2 PRO 30 HD2 PRO 30 -5.081 10.662 0.157 212 HD3 PRO 30 HD1 PRO 30 -4.931 8.990 0.718 213 H1 MET 31 HT1 MET 31 -1.546 31.655 -8.123 214 H2 MET 31 HT2 MET 31 -1.007 30.063 -8.304 215 H3 MET 31 HT3 MET 31 -0.127 31.151 -7.358 216 HA MET 31 HA MET 31 -1.407 29.594 -6.004 217 HB2 MET 31 HB2 MET 31 -2.340 32.473 -5.889 218 HB3 MET 31 HB1 MET 31 -2.533 31.299 -4.596 219 HG2 MET 31 HG2 MET 31 -0.111 31.114 -4.396 220 HG3 MET 31 HG1 MET 31 0.089 32.282 -5.699 221 HE1 MET 31 HE1 MET 31 -1.047 31.691 -2.001 222 HE2 MET 31 HE2 MET 31 -2.539 32.282 -2.732 223 HE3 MET 31 HE3 MET 31 -1.684 33.272 -1.549 224 H ARG 32 H ARG 32 -3.251 28.461 -5.715 225 HA ARG 32 HA ARG 32 -5.250 27.522 -6.241 226 HB2 ARG 32 HB2 ARG 32 -6.048 30.434 -6.359 227 HB3 ARG 32 HB1 ARG 32 -7.189 29.097 -6.354 228 HG2 ARG 32 HG2 ARG 32 -5.222 29.717 -4.160 229 HG3 ARG 32 HG1 ARG 32 -6.941 30.113 -4.142 230 HD2 ARG 32 HD2 ARG 32 -7.501 27.745 -4.263 231 HD3 ARG 32 HD1 ARG 32 -5.790 27.330 -4.338 232 HE ARG 32 HE ARG 32 -6.372 28.863 -2.017 233 HH11 ARG 32 HH11 ARG 32 -6.712 25.649 -3.352 234 HH12 ARG 32 HH12 ARG 32 -6.680 24.860 -1.811 235 HH21 ARG 32 HH21 ARG 32 -6.347 27.830 0.024 236 HH22 ARG 32 HH22 ARG 32 -6.480 26.103 0.113 237 H GLY 33 H GLY 33 -3.553 27.585 -8.363 238 HA2 GLY 33 HA2 GLY 33 -5.408 27.657 -10.605 239 HA3 GLY 33 HA1 GLY 33 -4.005 28.712 -10.723 240 H SER 34 H SER 34 -4.607 25.381 -9.654 241 HA SER 34 HA SER 34 -2.496 24.469 -11.470 242 HB2 SER 34 HB2 SER 34 -1.498 24.826 -9.219 243 HB3 SER 34 HB1 SER 34 -2.677 23.706 -8.542 244 HG SER 34 HG SER 34 -1.766 22.171 -10.158 245 H ASN 35 H ASN 35 -5.239 24.284 -11.853 246 HA ASN 35 HA ASN 35 -6.932 22.848 -12.339 247 HB2 ASN 35 HB2 ASN 35 -4.668 20.837 -12.293 248 HB3 ASN 35 HB1 ASN 35 -6.286 20.499 -12.897 249 HD21 ASN 35 HD21 ASN 35 -6.946 21.397 -14.833 250 HD22 ASN 35 HD22 ASN 35 -5.830 22.097 -15.953 251 H ALA 36 H ALA 36 -7.380 23.486 -9.977 252 HA ALA 36 HA ALA 36 -8.107 22.992 -7.889 253 HB1 ALA 36 HB1 ALA 36 -9.584 21.418 -9.029 254 HB2 ALA 36 HB2 ALA 36 -9.060 20.774 -7.473 255 HB3 ALA 36 HB3 ALA 36 -8.329 20.180 -8.964 256 HA PRO 37 HA PRO 37 -3.813 21.841 -6.742 257 HB2 PRO 37 HB2 PRO 37 -3.659 23.622 -4.680 258 HB3 PRO 37 HB1 PRO 37 -3.309 24.037 -6.361 259 HG2 PRO 37 HG2 PRO 37 -5.803 24.494 -4.777 260 HG3 PRO 37 HG1 PRO 37 -4.986 25.577 -5.917 261 HD2 PRO 37 HD2 PRO 37 -7.176 24.161 -6.597 262 HD3 PRO 37 HD1 PRO 37 -5.886 24.524 -7.760 263 H GLN 38 H GLN 38 -4.764 19.795 -6.060 264 HA GLN 38 HA GLN 38 -5.303 19.676 -3.178 265 HB2 GLN 38 HB2 GLN 38 -5.799 17.660 -5.375 266 HB3 GLN 38 HB1 GLN 38 -6.038 17.324 -3.665 267 HG2 GLN 38 HG2 GLN 38 -7.700 19.141 -3.575 268 HG3 GLN 38 HG1 GLN 38 -7.502 19.371 -5.313 269 HE21 GLN 38 HE21 GLN 38 -8.271 17.805 -6.723 270 HE22 GLN 38 HE22 GLN 38 -9.415 16.607 -6.231 271 HA PRO 39 HA PRO 39 -1.011 18.305 -2.792 272 HB2 PRO 39 HB2 PRO 39 -2.047 17.795 -0.054 273 HB3 PRO 39 HB1 PRO 39 -0.601 18.669 -0.562 274 HG2 PRO 39 HG2 PRO 39 -2.752 19.970 0.337 275 HG3 PRO 39 HG1 PRO 39 -1.762 20.622 -0.981 276 HD2 PRO 39 HD2 PRO 39 -4.428 19.292 -1.090 277 HD3 PRO 39 HD1 PRO 39 -3.787 20.624 -2.072 278 H SER 40 H SER 40 -3.902 16.740 -1.537 279 HA SER 40 HA SER 40 -2.697 14.104 -1.621 280 HB2 SER 40 HB2 SER 40 -4.331 14.899 0.162 281 HB3 SER 40 HB1 SER 40 -5.582 14.836 -1.074 282 HG SER 40 HG SER 40 -4.701 12.880 0.450 283 H HIS 41 H HIS 41 -2.373 14.804 -4.054 284 HA HIS 41 HA HIS 41 -4.703 13.861 -5.594 285 HB2 HIS 41 HB2 HIS 41 -3.754 16.192 -6.072 286 HB3 HIS 41 HB1 HIS 41 -2.346 15.367 -6.732 287 HD1 HIS 41 HD1 HIS 41 -2.538 15.608 -9.210 288 HD2 HIS 41 HD2 HIS 41 -6.177 14.641 -7.450 289 HE1 HIS 41 HE1 HIS 41 -4.154 15.311 -11.109 290 HE2 HIS 41 HE2 HIS 41 -6.324 14.638 -10.028 291 H ILE 42 H ILE 42 -4.283 11.702 -5.293 292 HA ILE 42 HA ILE 42 -1.714 10.596 -6.072 293 HB ILE 42 HB ILE 42 -4.239 9.246 -5.082 294 HG12 ILE 42 HG12 ILE 42 -2.667 8.694 -3.119 295 HG13 ILE 42 HG11 ILE 42 -1.625 9.957 -3.758 296 HG21 ILE 42 HG21 ILE 42 -2.903 7.207 -4.903 297 HG22 ILE 42 HG22 ILE 42 -1.537 8.037 -5.648 298 HG23 ILE 42 HG23 ILE 42 -3.015 7.766 -6.572 299 HD11 ILE 42 HD11 ILE 42 -3.430 11.579 -3.471 300 HD12 ILE 42 HD12 ILE 42 -3.004 10.790 -1.953 301 HD13 ILE 42 HD13 ILE 42 -4.462 10.306 -2.819 302 H SER 43 H SER 43 -1.287 9.668 -7.980 303 HA SER 43 HA SER 43 -3.342 9.760 -10.035 304 HB2 SER 43 HB2 SER 43 -1.079 10.636 -10.512 305 HB3 SER 43 HB1 SER 43 -0.408 9.031 -10.234 306 HG SER 43 HG SER 43 -2.478 9.172 -12.079 307 H LYS 44 H LYS 44 -1.397 7.406 -8.287 308 HA LYS 44 HA LYS 44 -3.259 5.315 -8.895 309 HB2 LYS 44 HB2 LYS 44 -1.678 3.821 -10.014 310 HB3 LYS 44 HB1 LYS 44 -1.921 5.288 -10.951 311 HG2 LYS 44 HG2 LYS 44 0.199 6.175 -10.024 312 HG3 LYS 44 HG1 LYS 44 0.452 4.623 -9.219 313 HD2 LYS 44 HD2 LYS 44 0.395 3.506 -11.410 314 HD3 LYS 44 HD1 LYS 44 0.210 5.078 -12.192 315 HE2 LYS 44 HE2 LYS 44 2.362 5.789 -11.296 316 HE3 LYS 44 HE1 LYS 44 2.544 4.242 -10.473 317 HZ1 LYS 44 HZ1 LYS 44 3.798 4.226 -12.497 318 HZ2 LYS 44 HZ2 LYS 44 2.446 4.679 -13.405 319 HZ3 LYS 44 HZ3 LYS 44 2.495 3.161 -12.663 320 H TYR 45 H TYR 45 -2.983 3.491 -7.605 321 HA TYR 45 HA TYR 45 -0.950 3.721 -5.480 322 HB2 TYR 45 HB2 TYR 45 -3.500 2.094 -5.447 323 HB3 TYR 45 HB1 TYR 45 -2.387 2.323 -4.110 324 HD1 TYR 45 HD1 TYR 45 -2.134 4.719 -3.192 325 HD2 TYR 45 HD2 TYR 45 -5.330 3.491 -5.717 326 HE1 TYR 45 HE1 TYR 45 -3.493 6.603 -2.382 327 HE2 TYR 45 HE2 TYR 45 -6.690 5.376 -4.926 328 HH TYR 45 HH TYR 45 -6.792 6.791 -2.829 329 H ILE 46 H ILE 46 0.483 2.062 -5.225 330 HA ILE 46 HA ILE 46 0.130 -0.251 -7.012 331 HB ILE 46 HB ILE 46 2.669 0.972 -5.927 332 HG12 ILE 46 HG12 ILE 46 3.237 0.924 -8.425 333 HG13 ILE 46 HG11 ILE 46 1.535 0.577 -8.696 334 HG21 ILE 46 HG21 ILE 46 2.910 -1.415 -5.719 335 HG22 ILE 46 HG22 ILE 46 3.877 -0.847 -7.080 336 HG23 ILE 46 HG23 ILE 46 2.333 -1.650 -7.370 337 HD11 ILE 46 HD11 ILE 46 1.967 2.920 -9.015 338 HD12 ILE 46 HD12 ILE 46 2.675 3.042 -7.404 339 HD13 ILE 46 HD13 ILE 46 0.956 2.694 -7.588 340 H LEU 47 H LEU 47 -0.610 -1.953 -6.011 341 HA LEU 47 HA LEU 47 -0.064 -2.353 -3.156 342 HB2 LEU 47 HB2 LEU 47 -2.412 -2.492 -4.342 343 HB3 LEU 47 HB1 LEU 47 -1.867 -4.073 -4.849 344 HG LEU 47 HG LEU 47 -3.287 -4.331 -2.939 345 HD11 LEU 47 HD11 LEU 47 -1.485 -5.886 -2.959 346 HD12 LEU 47 HD12 LEU 47 -1.787 -5.394 -1.294 347 HD13 LEU 47 HD13 LEU 47 -0.409 -4.731 -2.174 348 HD21 LEU 47 HD21 LEU 47 -3.127 -2.099 -2.018 349 HD22 LEU 47 HD22 LEU 47 -1.469 -2.408 -1.499 350 HD23 LEU 47 HD23 LEU 47 -2.805 -3.307 -0.774 351 H ARG 48 H ARG 48 1.531 -3.709 -2.602 352 HA ARG 48 HA ARG 48 2.221 -5.873 -4.476 353 HB2 ARG 48 HB2 ARG 48 4.223 -4.305 -2.837 354 HB3 ARG 48 HB1 ARG 48 4.576 -5.561 -4.019 355 HG2 ARG 48 HG2 ARG 48 3.428 -4.056 -5.717 356 HG3 ARG 48 HG1 ARG 48 3.533 -2.794 -4.493 357 HD2 ARG 48 HD2 ARG 48 5.897 -4.342 -5.525 358 HD3 ARG 48 HD1 ARG 48 5.371 -2.793 -6.177 359 HE ARG 48 HE ARG 48 5.771 -2.591 -3.392 360 HH11 ARG 48 HH11 ARG 48 7.468 -2.829 -6.443 361 HH12 ARG 48 HH12 ARG 48 8.897 -2.027 -5.857 362 HH21 ARG 48 HH21 ARG 48 7.639 -1.521 -2.611 363 HH22 ARG 48 HH22 ARG 48 8.985 -1.258 -3.680 364 H TRP 49 H TRP 49 2.430 -7.853 -3.599 365 HA TRP 49 HA TRP 49 2.533 -8.043 -0.678 366 HB2 TRP 49 HB2 TRP 49 0.858 -9.855 -0.718 367 HB3 TRP 49 HB1 TRP 49 0.202 -8.322 -1.270 368 HD1 TRP 49 HD1 TRP 49 0.674 -11.893 -2.321 369 HE1 TRP 49 HE1 TRP 49 -0.350 -12.247 -4.657 370 HE3 TRP 49 HE3 TRP 49 -0.100 -7.012 -3.617 371 HZ2 TRP 49 HZ2 TRP 49 -1.343 -10.660 -6.773 372 HZ3 TRP 49 HZ3 TRP 49 -1.091 -6.513 -5.811 373 HH2 TRP 49 HH2 TRP 49 -1.698 -8.299 -7.354 374 H ARG 50 H ARG 50 3.472 -9.857 0.183 375 HA ARG 50 HA ARG 50 4.719 -11.806 -1.607 376 HB2 ARG 50 HB2 ARG 50 6.341 -9.945 -1.331 377 HB3 ARG 50 HB1 ARG 50 6.268 -10.163 0.412 378 HG2 ARG 50 HG2 ARG 50 7.135 -12.464 0.109 379 HG3 ARG 50 HG1 ARG 50 7.319 -12.125 -1.614 380 HD2 ARG 50 HD2 ARG 50 9.438 -11.780 -0.584 381 HD3 ARG 50 HD1 ARG 50 8.781 -10.197 -0.995 382 HE ARG 50 HE ARG 50 8.050 -10.782 1.637 383 HH11 ARG 50 HH11 ARG 50 10.954 -10.162 -0.212 384 HH12 ARG 50 HH12 ARG 50 11.821 -9.494 1.135 385 HH21 ARG 50 HH21 ARG 50 9.193 -9.903 3.416 386 HH22 ARG 50 HH22 ARG 50 10.817 -9.331 3.190 387 HA PRO 51 HA PRO 51 3.408 -14.478 1.755 388 HB2 PRO 51 HB2 PRO 51 5.552 -16.263 0.770 389 HB3 PRO 51 HB1 PRO 51 3.828 -16.584 0.965 390 HG2 PRO 51 HG2 PRO 51 4.923 -16.261 -1.457 391 HG3 PRO 51 HG1 PRO 51 3.290 -15.677 -1.088 392 HD2 PRO 51 HD2 PRO 51 5.844 -14.145 -1.326 393 HD3 PRO 51 HD1 PRO 51 4.202 -13.691 -1.822 394 H LYS 52 H LYS 52 4.047 -14.598 3.815 395 HA LYS 52 HA LYS 52 6.411 -13.382 4.731 396 HB2 LYS 52 HB2 LYS 52 4.480 -15.244 6.099 397 HB3 LYS 52 HB1 LYS 52 5.774 -14.405 6.935 398 HG2 LYS 52 HG2 LYS 52 3.896 -12.782 5.332 399 HG3 LYS 52 HG1 LYS 52 3.296 -13.489 6.828 400 HD2 LYS 52 HD2 LYS 52 5.343 -12.472 7.946 401 HD3 LYS 52 HD1 LYS 52 5.555 -11.544 6.457 402 HE2 LYS 52 HE2 LYS 52 3.313 -10.625 6.698 403 HE3 LYS 52 HE1 LYS 52 3.067 -11.576 8.160 404 HZ1 LYS 52 HZ1 LYS 52 3.630 -9.466 8.900 405 HZ2 LYS 52 HZ2 LYS 52 4.853 -9.263 7.743 406 HZ3 LYS 52 HZ3 LYS 52 5.084 -10.330 9.041 407 H ASN 53 H ASN 53 5.641 -16.711 3.995 408 HA ASN 53 HA ASN 53 8.101 -17.660 5.229 409 HB2 ASN 53 HB2 ASN 53 7.275 -19.869 4.925 410 HB3 ASN 53 HB1 ASN 53 5.910 -18.900 5.463 411 HD21 ASN 53 HD21 ASN 53 4.230 -18.469 4.026 412 HD22 ASN 53 HD22 ASN 53 4.046 -19.340 2.540 413 H SER 54 H SER 54 7.092 -16.576 2.185 414 HA SER 54 HA SER 54 9.407 -17.888 0.938 415 HB2 SER 54 HB2 SER 54 6.754 -17.390 -0.426 416 HB3 SER 54 HB1 SER 54 8.184 -18.126 -1.147 417 HG SER 54 HG SER 54 7.474 -19.392 1.143 418 H VAL 55 H VAL 55 10.828 -16.428 0.327 419 HA VAL 55 HA VAL 55 10.199 -13.663 0.272 420 HB VAL 55 HB VAL 55 12.395 -14.440 1.005 421 HG11 VAL 55 HG11 VAL 55 12.813 -15.286 -1.856 422 HG12 VAL 55 HG12 VAL 55 12.711 -16.344 -0.450 423 HG13 VAL 55 HG13 VAL 55 14.065 -15.228 -0.617 424 HG21 VAL 55 HG21 VAL 55 12.158 -12.182 0.148 425 HG22 VAL 55 HG22 VAL 55 12.536 -12.752 -1.477 426 HG23 VAL 55 HG23 VAL 55 13.755 -12.833 -0.208 427 H GLY 56 H GLY 56 10.915 -16.089 -2.201 428 HA2 GLY 56 HA2 GLY 56 10.710 -16.019 -4.506 429 HA3 GLY 56 HA1 GLY 56 9.083 -15.557 -4.046 430 H ARG 57 H ARG 57 8.328 -13.732 -4.795 431 HA ARG 57 HA ARG 57 10.018 -11.449 -5.259 432 HB2 ARG 57 HB2 ARG 57 9.419 -11.169 -7.615 433 HB3 ARG 57 HB1 ARG 57 10.307 -12.662 -7.372 434 HG2 ARG 57 HG2 ARG 57 7.310 -12.580 -7.535 435 HG3 ARG 57 HG1 ARG 57 8.337 -12.736 -8.959 436 HD2 ARG 57 HD2 ARG 57 8.259 -14.621 -6.605 437 HD3 ARG 57 HD1 ARG 57 7.552 -14.914 -8.193 438 HE ARG 57 HE ARG 57 10.173 -14.422 -8.732 439 HH11 ARG 57 HH11 ARG 57 8.492 -16.652 -6.621 440 HH12 ARG 57 HH12 ARG 57 9.712 -17.880 -6.737 441 HH21 ARG 57 HH21 ARG 57 11.781 -16.030 -8.882 442 HH22 ARG 57 HH22 ARG 57 11.587 -17.528 -8.028 443 H TRP 58 H TRP 58 8.771 -9.515 -5.655 444 HA TRP 58 HA TRP 58 6.228 -9.625 -4.291 445 HB2 TRP 58 HB2 TRP 58 7.878 -7.341 -5.378 446 HB3 TRP 58 HB1 TRP 58 6.299 -7.110 -4.636 447 HD1 TRP 58 HD1 TRP 58 9.899 -8.109 -3.752 448 HE1 TRP 58 HE1 TRP 58 10.215 -7.844 -1.211 449 HE3 TRP 58 HE3 TRP 58 5.066 -7.090 -2.434 450 HZ2 TRP 58 HZ2 TRP 58 8.622 -7.282 1.050 451 HZ3 TRP 58 HZ3 TRP 58 4.547 -6.701 -0.062 452 HH2 TRP 58 HH2 TRP 58 6.291 -6.796 1.644 453 H LYS 59 H LYS 59 4.267 -9.547 -5.190 454 HA LYS 59 HA LYS 59 4.040 -9.224 -8.083 455 HB2 LYS 59 HB2 LYS 59 1.939 -9.940 -6.024 456 HB3 LYS 59 HB1 LYS 59 1.702 -9.927 -7.766 457 HG2 LYS 59 HG2 LYS 59 3.347 -11.715 -8.009 458 HG3 LYS 59 HG1 LYS 59 3.586 -11.730 -6.262 459 HD2 LYS 59 HD2 LYS 59 1.211 -12.305 -5.963 460 HD3 LYS 59 HD1 LYS 59 1.012 -12.333 -7.715 461 HE2 LYS 59 HE2 LYS 59 1.280 -14.587 -6.953 462 HE3 LYS 59 HE1 LYS 59 2.740 -14.118 -7.819 463 HZ1 LYS 59 HZ1 LYS 59 3.783 -13.663 -5.655 464 HZ2 LYS 59 HZ2 LYS 59 3.326 -15.278 -5.823 465 HZ3 LYS 59 HZ3 LYS 59 2.396 -14.236 -4.873 466 H GLU 60 H GLU 60 3.192 -7.417 -9.020 467 HA GLU 60 HA GLU 60 2.484 -5.252 -7.151 468 HB2 GLU 60 HB2 GLU 60 3.746 -4.915 -9.872 469 HB3 GLU 60 HB1 GLU 60 3.551 -3.693 -8.623 470 HG2 GLU 60 HG2 GLU 60 5.092 -4.984 -7.184 471 HG3 GLU 60 HG1 GLU 60 5.352 -6.100 -8.520 472 H ALA 61 H ALA 61 0.493 -4.487 -7.324 473 HA ALA 61 HA ALA 61 -0.870 -4.687 -9.937 474 HB1 ALA 61 HB1 ALA 61 -2.128 -4.779 -7.194 475 HB2 ALA 61 HB2 ALA 61 -1.888 -6.159 -8.265 476 HB3 ALA 61 HB3 ALA 61 -2.986 -4.861 -8.734 477 H THR 62 H THR 62 -1.817 -2.860 -10.735 478 HA THR 62 HA THR 62 -1.296 -0.400 -9.221 479 HB THR 62 HB THR 62 -1.858 -0.702 -12.176 480 HG1 THR 62 HG1 THR 62 0.397 -1.122 -10.715 481 HG21 THR 62 HG21 THR 62 -0.847 1.642 -10.559 482 HG22 THR 62 HG22 THR 62 -2.440 1.504 -11.303 483 HG23 THR 62 HG23 THR 62 -0.998 1.597 -12.315 484 H ILE 63 H ILE 63 -2.930 0.594 -8.313 485 HA ILE 63 HA ILE 63 -5.664 0.136 -9.331 486 HB ILE 63 HB ILE 63 -4.771 0.943 -6.547 487 HG12 ILE 63 HG12 ILE 63 -6.011 -1.294 -6.025 488 HG13 ILE 63 HG11 ILE 63 -5.713 -1.658 -7.719 489 HG21 ILE 63 HG21 ILE 63 -6.905 1.975 -7.186 490 HG22 ILE 63 HG22 ILE 63 -7.101 0.787 -5.898 491 HG23 ILE 63 HG23 ILE 63 -7.555 0.376 -7.551 492 HD11 ILE 63 HD11 ILE 63 -3.310 -1.391 -7.339 493 HD12 ILE 63 HD12 ILE 63 -4.011 -2.640 -6.309 494 HD13 ILE 63 HD13 ILE 63 -3.625 -1.055 -5.637 495 HA PRO 64 HA PRO 64 -5.704 4.424 -10.697 496 HB2 PRO 64 HB2 PRO 64 -8.567 4.078 -9.913 497 HB3 PRO 64 HB1 PRO 64 -7.883 4.768 -11.389 498 HG2 PRO 64 HG2 PRO 64 -8.903 2.307 -11.382 499 HG3 PRO 64 HG1 PRO 64 -7.448 2.693 -12.317 500 HD2 PRO 64 HD2 PRO 64 -7.719 1.172 -9.777 501 HD3 PRO 64 HD1 PRO 64 -6.531 0.991 -11.083 502 H GLY 65 H GLY 65 -5.479 6.326 -9.620 503 HA2 GLY 65 HA2 GLY 65 -5.316 6.173 -6.767 504 HA3 GLY 65 HA1 GLY 65 -4.918 7.563 -7.761 505 H HIS 66 H HIS 66 -7.950 5.785 -7.232 506 HA HIS 66 HA HIS 66 -9.125 7.818 -5.638 507 HB2 HIS 66 HB2 HIS 66 -10.914 8.461 -7.315 508 HB3 HIS 66 HB1 HIS 66 -9.316 9.125 -7.623 509 HD1 HIS 66 HD1 HIS 66 -8.394 8.767 -9.902 510 HD2 HIS 66 HD2 HIS 66 -11.508 6.152 -9.040 511 HE1 HIS 66 HE1 HIS 66 -8.833 7.512 -12.034 512 HE2 HIS 66 HE2 HIS 66 -10.826 6.058 -11.532 513 H LEU 67 H LEU 67 -8.779 4.925 -5.704 514 HA LEU 67 HA LEU 67 -11.616 4.124 -5.636 515 HB2 LEU 67 HB2 LEU 67 -9.193 2.402 -6.168 516 HB3 LEU 67 HB1 LEU 67 -10.816 1.784 -5.939 517 HG LEU 67 HG LEU 67 -9.827 3.491 -8.219 518 HD11 LEU 67 HD11 LEU 67 -10.425 1.565 -9.572 519 HD12 LEU 67 HD12 LEU 67 -10.935 0.694 -8.126 520 HD13 LEU 67 HD13 LEU 67 -9.242 1.130 -8.343 521 HD21 LEU 67 HD21 LEU 67 -12.627 2.565 -7.586 522 HD22 LEU 67 HD22 LEU 67 -12.115 3.265 -9.120 523 HD23 LEU 67 HD23 LEU 67 -12.054 4.232 -7.650 524 H ASN 68 H ASN 68 -8.453 3.411 -4.198 525 HA ASN 68 HA ASN 68 -7.789 2.938 -2.091 526 HB2 ASN 68 HB2 ASN 68 -10.374 4.346 -1.475 527 HB3 ASN 68 HB1 ASN 68 -9.366 3.672 -0.199 528 HD21 ASN 68 HD21 ASN 68 -8.776 5.535 0.726 529 HD22 ASN 68 HD22 ASN 68 -7.778 6.723 -0.038 530 H SER 69 H SER 69 -9.365 1.018 -3.660 531 HA SER 69 HA SER 69 -9.690 -0.924 -1.562 532 HB2 SER 69 HB2 SER 69 -12.003 -1.563 -2.432 533 HB3 SER 69 HB1 SER 69 -11.920 -0.080 -1.483 534 HG SER 69 HG SER 69 -12.550 1.009 -3.164 535 H TYR 70 H TYR 70 -9.067 -2.888 -2.270 536 HA TYR 70 HA TYR 70 -9.267 -3.542 -5.101 537 HB2 TYR 70 HB2 TYR 70 -7.076 -2.475 -4.919 538 HB3 TYR 70 HB1 TYR 70 -6.639 -3.552 -3.599 539 HD1 TYR 70 HD1 TYR 70 -5.176 -5.228 -4.166 540 HD2 TYR 70 HD2 TYR 70 -7.971 -3.908 -7.090 541 HE1 TYR 70 HE1 TYR 70 -4.246 -6.839 -5.774 542 HE2 TYR 70 HE2 TYR 70 -7.049 -5.519 -8.705 543 HH TYR 70 HH TYR 70 -4.975 -6.754 -9.099 544 H THR 71 H THR 71 -9.540 -5.700 -5.464 545 HA THR 71 HA THR 71 -9.539 -7.432 -3.092 546 HB THR 71 HB THR 71 -10.837 -7.963 -5.770 547 HG1 THR 71 HG1 THR 71 -11.535 -6.151 -4.032 548 HG21 THR 71 HG21 THR 71 -11.249 -9.223 -3.053 549 HG22 THR 71 HG22 THR 71 -10.413 -9.965 -4.417 550 HG23 THR 71 HG23 THR 71 -12.140 -9.622 -4.521 551 H ILE 72 H ILE 72 -7.499 -8.208 -2.938 552 HA ILE 72 HA ILE 72 -5.884 -8.938 -5.178 553 HB ILE 72 HB ILE 72 -5.522 -9.823 -2.308 554 HG12 ILE 72 HG12 ILE 72 -4.420 -7.346 -3.659 555 HG13 ILE 72 HG11 ILE 72 -5.722 -7.352 -2.475 556 HG21 ILE 72 HG21 ILE 72 -3.567 -9.537 -4.587 557 HG22 ILE 72 HG22 ILE 72 -4.170 -11.049 -3.913 558 HG23 ILE 72 HG23 ILE 72 -3.153 -9.992 -2.934 559 HD11 ILE 72 HD11 ILE 72 -3.727 -6.716 -1.358 560 HD12 ILE 72 HD12 ILE 72 -2.841 -8.085 -2.040 561 HD13 ILE 72 HD13 ILE 72 -4.112 -8.364 -0.850 562 H LYS 73 H LYS 73 -5.790 -10.845 -6.243 563 HA LYS 73 HA LYS 73 -7.269 -13.116 -5.083 564 HB2 LYS 73 HB2 LYS 73 -7.107 -12.384 -8.013 565 HB3 LYS 73 HB1 LYS 73 -8.013 -13.722 -7.319 566 HG2 LYS 73 HG2 LYS 73 -9.459 -12.158 -6.146 567 HG3 LYS 73 HG1 LYS 73 -8.538 -10.803 -6.800 568 HD2 LYS 73 HD2 LYS 73 -9.139 -11.613 -9.091 569 HD3 LYS 73 HD1 LYS 73 -10.206 -12.795 -8.329 570 HE2 LYS 73 HE2 LYS 73 -11.498 -10.877 -8.994 571 HE3 LYS 73 HE1 LYS 73 -11.416 -10.936 -7.236 572 HZ1 LYS 73 HZ1 LYS 73 -9.739 -9.212 -8.980 573 HZ2 LYS 73 HZ2 LYS 73 -9.683 -9.252 -7.292 574 HZ3 LYS 73 HZ3 LYS 73 -11.074 -8.693 -8.080 575 H GLY 74 H GLY 74 -6.105 -14.886 -4.814 576 HA2 GLY 74 HA2 GLY 74 -4.637 -16.511 -6.043 577 HA3 GLY 74 HA1 GLY 74 -3.587 -15.134 -6.346 578 H LEU 75 H LEU 75 -4.928 -14.782 -3.345 579 HA LEU 75 HA LEU 75 -2.447 -15.315 -2.021 580 HB2 LEU 75 HB2 LEU 75 -5.162 -14.612 -0.901 581 HB3 LEU 75 HB1 LEU 75 -3.661 -14.615 0.005 582 HG LEU 75 HG LEU 75 -4.247 -12.797 -2.338 583 HD11 LEU 75 HD11 LEU 75 -4.294 -12.274 0.627 584 HD12 LEU 75 HD12 LEU 75 -5.673 -12.251 -0.473 585 HD13 LEU 75 HD13 LEU 75 -4.401 -11.039 -0.628 586 HD21 LEU 75 HD21 LEU 75 -1.967 -12.866 -0.365 587 HD22 LEU 75 HD22 LEU 75 -2.245 -11.603 -1.564 588 HD23 LEU 75 HD23 LEU 75 -1.879 -13.246 -2.085 589 H LYS 76 H LYS 76 -1.820 -17.178 -1.139 590 HA LYS 76 HA LYS 76 -3.494 -19.484 -1.376 591 HB2 LYS 76 HB2 LYS 76 -0.776 -19.147 -0.102 592 HB3 LYS 76 HB1 LYS 76 -1.562 -20.691 -0.403 593 HG2 LYS 76 HG2 LYS 76 -1.550 -20.196 -2.815 594 HG3 LYS 76 HG1 LYS 76 -0.683 -18.696 -2.480 595 HD2 LYS 76 HD2 LYS 76 1.174 -19.944 -1.547 596 HD3 LYS 76 HD1 LYS 76 0.296 -21.459 -1.765 597 HE2 LYS 76 HE2 LYS 76 1.192 -19.596 -3.959 598 HE3 LYS 76 HE1 LYS 76 1.955 -21.124 -3.527 599 HZ1 LYS 76 HZ1 LYS 76 -0.159 -22.238 -4.085 600 HZ2 LYS 76 HZ2 LYS 76 0.540 -21.458 -5.410 601 HZ3 LYS 76 HZ3 LYS 76 -0.782 -20.760 -4.623 602 HA PRO 77 HA PRO 77 -5.410 -19.239 2.622 603 HB2 PRO 77 HB2 PRO 77 -6.343 -21.802 2.703 604 HB3 PRO 77 HB1 PRO 77 -7.121 -20.510 1.784 605 HG2 PRO 77 HG2 PRO 77 -5.269 -22.659 0.838 606 HG3 PRO 77 HG1 PRO 77 -6.741 -22.030 0.073 607 HD2 PRO 77 HD2 PRO 77 -4.270 -21.292 -0.726 608 HD3 PRO 77 HD1 PRO 77 -5.656 -20.185 -0.789 609 H GLY 78 H GLY 78 -4.292 -19.257 4.440 610 HA2 GLY 78 HA2 GLY 78 -3.371 -20.517 6.279 611 HA3 GLY 78 HA1 GLY 78 -2.716 -21.657 5.111 612 H VAL 79 H VAL 79 -2.019 -19.122 3.477 613 HA VAL 79 HA VAL 79 0.637 -18.854 4.654 614 HB VAL 79 HB VAL 79 -0.419 -17.918 1.974 615 HG11 VAL 79 HG11 VAL 79 1.931 -17.564 1.389 616 HG12 VAL 79 HG12 VAL 79 2.399 -17.963 3.042 617 HG13 VAL 79 HG13 VAL 79 1.430 -16.522 2.723 618 HG21 VAL 79 HG21 VAL 79 -0.322 -20.338 2.119 619 HG22 VAL 79 HG22 VAL 79 1.343 -20.249 2.699 620 HG23 VAL 79 HG23 VAL 79 0.953 -19.731 1.059 621 H VAL 80 H VAL 80 1.349 -17.060 5.621 622 HA VAL 80 HA VAL 80 -0.412 -14.749 5.833 623 HB VAL 80 HB VAL 80 2.310 -15.120 7.102 624 HG11 VAL 80 HG11 VAL 80 -0.019 -13.400 7.943 625 HG12 VAL 80 HG12 VAL 80 1.388 -12.821 7.055 626 HG13 VAL 80 HG13 VAL 80 1.576 -13.456 8.690 627 HG21 VAL 80 HG21 VAL 80 1.149 -15.899 9.110 628 HG22 VAL 80 HG22 VAL 80 0.893 -16.988 7.746 629 HG23 VAL 80 HG23 VAL 80 -0.381 -15.870 8.233 630 H TYR 81 H TYR 81 0.254 -12.627 5.148 631 HA TYR 81 HA TYR 81 2.409 -12.701 3.144 632 HB2 TYR 81 HB2 TYR 81 -0.405 -11.697 2.835 633 HB3 TYR 81 HB1 TYR 81 0.894 -11.108 1.807 634 HD1 TYR 81 HD1 TYR 81 -1.192 -14.013 2.651 635 HD2 TYR 81 HD2 TYR 81 1.875 -12.510 0.118 636 HE1 TYR 81 HE1 TYR 81 -1.507 -15.929 1.140 637 HE2 TYR 81 HE2 TYR 81 1.570 -14.418 -1.397 638 HH TYR 81 HH TYR 81 0.704 -16.730 -1.297 639 H GLU 82 H GLU 82 3.407 -10.780 2.635 640 HA GLU 82 HA GLU 82 3.145 -8.564 4.551 641 HB2 GLU 82 HB2 GLU 82 5.265 -9.260 2.501 642 HB3 GLU 82 HB1 GLU 82 5.281 -7.791 3.461 643 HG2 GLU 82 HG2 GLU 82 5.144 -10.419 4.840 644 HG3 GLU 82 HG1 GLU 82 6.679 -9.874 4.164 645 H GLY 83 H GLY 83 1.995 -6.827 3.895 646 HA2 GLY 83 HA2 GLY 83 1.692 -6.427 0.983 647 HA3 GLY 83 HA1 GLY 83 0.398 -6.128 2.134 648 H GLN 84 H GLN 84 1.787 -4.384 0.161 649 HA GLN 84 HA GLN 84 2.157 -2.160 2.014 650 HB2 GLN 84 HB2 GLN 84 4.098 -1.347 0.634 651 HB3 GLN 84 HB1 GLN 84 4.422 -2.770 1.614 652 HG2 GLN 84 HG2 GLN 84 4.218 -4.195 -0.320 653 HG3 GLN 84 HG1 GLN 84 3.766 -2.814 -1.320 654 HE21 GLN 84 HE21 GLN 84 6.357 -4.390 0.391 655 HE22 GLN 84 HE22 GLN 84 7.647 -3.535 -0.381 656 H LEU 85 H LEU 85 1.246 -0.328 1.362 657 HA LEU 85 HA LEU 85 0.129 -0.244 -1.359 658 HB2 LEU 85 HB2 LEU 85 -1.448 -0.195 0.610 659 HB3 LEU 85 HB1 LEU 85 -0.739 1.338 1.067 660 HG LEU 85 HG LEU 85 -2.968 1.393 -0.176 661 HD11 LEU 85 HD11 LEU 85 -0.675 2.979 -1.318 662 HD12 LEU 85 HD12 LEU 85 -1.583 3.378 0.141 663 HD13 LEU 85 HD13 LEU 85 -2.387 3.392 -1.429 664 HD21 LEU 85 HD21 LEU 85 -2.310 -0.297 -1.866 665 HD22 LEU 85 HD22 LEU 85 -1.203 0.885 -2.562 666 HD23 LEU 85 HD23 LEU 85 -2.940 1.195 -2.559 667 H ILE 86 H ILE 86 1.171 1.035 -2.707 668 HA ILE 86 HA ILE 86 2.805 3.236 -1.633 669 HB ILE 86 HB ILE 86 2.973 2.064 -4.404 670 HG12 ILE 86 HG12 ILE 86 4.744 1.279 -2.090 671 HG13 ILE 86 HG11 ILE 86 3.300 0.368 -2.511 672 HG21 ILE 86 HG21 ILE 86 4.928 3.642 -2.729 673 HG22 ILE 86 HG22 ILE 86 4.016 4.243 -4.115 674 HG23 ILE 86 HG23 ILE 86 5.248 3.002 -4.341 675 HD11 ILE 86 HD11 ILE 86 4.201 -0.150 -4.675 676 HD12 ILE 86 HD12 ILE 86 5.367 -0.593 -3.428 677 HD13 ILE 86 HD13 ILE 86 5.604 0.877 -4.374 678 H SER 87 H SER 87 1.866 5.186 -1.788 679 HA SER 87 HA SER 87 -0.117 5.648 -3.883 680 HB2 SER 87 HB2 SER 87 -0.498 7.800 -2.591 681 HB3 SER 87 HB1 SER 87 -0.862 6.311 -1.719 682 HG SER 87 HG SER 87 0.756 8.229 -0.968 683 H ILE 88 H ILE 88 0.566 6.428 -5.761 684 HA ILE 88 HA ILE 88 2.966 8.084 -5.865 685 HB ILE 88 HB ILE 88 1.230 7.138 -8.151 686 HG12 ILE 88 HG12 ILE 88 2.196 5.225 -7.002 687 HG13 ILE 88 HG11 ILE 88 3.008 5.463 -8.545 688 HG21 ILE 88 HG21 ILE 88 3.215 7.683 -9.526 689 HG22 ILE 88 HG22 ILE 88 3.986 8.366 -8.094 690 HG23 ILE 88 HG23 ILE 88 2.514 9.095 -8.735 691 HD11 ILE 88 HD11 ILE 88 4.874 6.535 -7.378 692 HD12 ILE 88 HD12 ILE 88 4.593 4.887 -6.820 693 HD13 ILE 88 HD13 ILE 88 4.060 6.251 -5.840 694 H GLN 89 H GLN 89 2.560 10.109 -5.248 695 HA GLN 89 HA GLN 89 0.106 11.433 -6.086 696 HB2 GLN 89 HB2 GLN 89 2.343 12.281 -4.245 697 HB3 GLN 89 HB1 GLN 89 0.935 13.272 -4.610 698 HG2 GLN 89 HG2 GLN 89 -0.531 11.669 -3.612 699 HG3 GLN 89 HG1 GLN 89 0.793 10.524 -3.398 700 HE21 GLN 89 HE21 GLN 89 2.281 10.862 -1.774 701 HE22 GLN 89 HE22 GLN 89 2.005 11.978 -0.475 702 H GLN 90 H GLN 90 0.256 13.664 -6.896 703 HA GLN 90 HA GLN 90 1.598 13.603 -9.369 704 HB2 GLN 90 HB2 GLN 90 0.593 15.740 -9.789 705 HB3 GLN 90 HB1 GLN 90 -0.569 14.735 -8.936 706 HG2 GLN 90 HG2 GLN 90 -0.056 15.888 -6.851 707 HG3 GLN 90 HG1 GLN 90 1.134 16.884 -7.690 708 HE21 GLN 90 HE21 GLN 90 -1.229 17.714 -6.226 709 HE22 GLN 90 HE22 GLN 90 -2.208 18.592 -7.351 710 H TYR 91 H TYR 91 2.741 14.570 -6.343 711 HA TYR 91 HA TYR 91 4.657 16.484 -7.427 712 HB2 TYR 91 HB2 TYR 91 4.365 15.497 -4.580 713 HB3 TYR 91 HB1 TYR 91 5.301 16.886 -5.122 714 HD1 TYR 91 HD1 TYR 91 4.112 18.915 -5.962 715 HD2 TYR 91 HD2 TYR 91 2.036 15.655 -4.188 716 HE1 TYR 91 HE1 TYR 91 2.142 20.353 -5.633 717 HE2 TYR 91 HE2 TYR 91 0.066 17.077 -3.856 718 HH TYR 91 HH TYR 91 -0.314 20.082 -5.353 719 H GLY 92 H GLY 92 4.389 13.231 -7.247 720 HA2 GLY 92 HA2 GLY 92 5.952 11.594 -7.713 721 HA3 GLY 92 HA1 GLY 92 7.222 12.808 -7.587 722 H HIS 93 H HIS 93 5.214 12.950 -4.919 723 HA HIS 93 HA HIS 93 7.208 11.731 -3.230 724 HB2 HIS 93 HB2 HIS 93 5.833 13.841 -2.696 725 HB3 HIS 93 HB1 HIS 93 4.497 12.746 -2.364 726 HD1 HIS 93 HD1 HIS 93 4.259 12.802 0.119 727 HD2 HIS 93 HD2 HIS 93 8.235 12.450 -1.072 728 HE1 HIS 93 HE1 HIS 93 5.584 12.523 2.233 729 HE2 HIS 93 HE2 HIS 93 7.959 12.162 1.482 730 H GLN 94 H GLN 94 7.239 9.616 -2.825 731 HA GLN 94 HA GLN 94 4.775 8.084 -3.312 732 HB2 GLN 94 HB2 GLN 94 7.629 7.091 -3.207 733 HB3 GLN 94 HB1 GLN 94 6.218 6.168 -3.701 734 HG2 GLN 94 HG2 GLN 94 5.961 7.501 -5.673 735 HG3 GLN 94 HG1 GLN 94 7.233 8.600 -5.145 736 HE21 GLN 94 HE21 GLN 94 7.035 7.012 -7.587 737 HE22 GLN 94 HE22 GLN 94 8.439 6.007 -7.617 738 H GLU 95 H GLU 95 3.744 7.382 -1.580 739 HA GLU 95 HA GLU 95 5.281 6.981 0.895 740 HB2 GLU 95 HB2 GLU 95 2.366 7.667 0.494 741 HB3 GLU 95 HB1 GLU 95 3.085 7.283 2.052 742 HG2 GLU 95 HG2 GLU 95 3.873 9.585 0.277 743 HG3 GLU 95 HG1 GLU 95 2.859 9.692 1.715 744 H VAL 96 H VAL 96 5.464 4.983 1.630 745 HA VAL 96 HA VAL 96 3.735 2.919 0.443 746 HB VAL 96 HB VAL 96 6.496 2.539 1.611 747 HG11 VAL 96 HG11 VAL 96 5.150 0.535 1.739 748 HG12 VAL 96 HG12 VAL 96 6.379 0.344 0.487 749 HG13 VAL 96 HG13 VAL 96 4.710 0.690 0.037 750 HG21 VAL 96 HG21 VAL 96 5.641 2.782 -1.268 751 HG22 VAL 96 HG22 VAL 96 7.232 2.242 -0.735 752 HG23 VAL 96 HG23 VAL 96 6.691 3.881 -0.378 753 H THR 97 H THR 97 2.161 2.510 1.850 754 HA THR 97 HA THR 97 2.794 2.340 4.707 755 HB THR 97 HB THR 97 0.068 2.227 3.402 756 HG1 THR 97 HG1 THR 97 -0.016 4.473 4.132 757 HG21 THR 97 HG21 THR 97 0.151 1.312 5.666 758 HG22 THR 97 HG22 THR 97 -0.716 2.848 5.651 759 HG23 THR 97 HG23 THR 97 0.944 2.778 6.241 760 H ARG 98 H ARG 98 3.371 0.405 5.405 761 HA ARG 98 HA ARG 98 2.603 -1.975 3.916 762 HB2 ARG 98 HB2 ARG 98 4.483 -1.649 6.258 763 HB3 ARG 98 HB1 ARG 98 4.270 -3.112 5.304 764 HG2 ARG 98 HG2 ARG 98 5.196 -2.071 3.367 765 HG3 ARG 98 HG1 ARG 98 5.207 -0.495 4.159 766 HD2 ARG 98 HD2 ARG 98 6.800 -2.894 5.050 767 HD3 ARG 98 HD1 ARG 98 7.432 -1.556 4.091 768 HE ARG 98 HE ARG 98 6.258 -0.525 6.426 769 HH11 ARG 98 HH11 ARG 98 9.038 -2.401 5.418 770 HH12 ARG 98 HH12 ARG 98 10.027 -1.885 6.745 771 HH21 ARG 98 HH21 ARG 98 7.570 0.170 8.167 772 HH22 ARG 98 HH22 ARG 98 9.199 -0.414 8.297 773 H PHE 99 H PHE 99 1.557 -3.744 4.821 774 HA PHE 99 HA PHE 99 0.430 -3.450 7.493 775 HB2 PHE 99 HB2 PHE 99 -1.854 -4.018 6.640 776 HB3 PHE 99 HB1 PHE 99 -1.286 -2.426 6.157 777 HD1 PHE 99 HD1 PHE 99 -2.359 -5.692 5.038 778 HD2 PHE 99 HD2 PHE 99 -0.555 -2.035 3.820 779 HE1 PHE 99 HE1 PHE 99 -2.840 -6.241 2.689 780 HE2 PHE 99 HE2 PHE 99 -1.030 -2.581 1.469 781 HZ PHE 99 HZ PHE 99 -2.175 -4.685 0.901 782 H ASP 100 H ASP 100 -0.563 -5.435 8.270 783 HA ASP 100 HA ASP 100 0.785 -7.789 7.123 784 HB2 ASP 100 HB2 ASP 100 1.497 -7.128 9.410 785 HB3 ASP 100 HB1 ASP 100 -0.162 -7.313 9.962 786 H PHE 101 H PHE 101 -0.444 -9.480 6.458 787 HA PHE 101 HA PHE 101 -3.139 -9.826 7.429 788 HB2 PHE 101 HB2 PHE 101 -4.259 -9.590 5.299 789 HB3 PHE 101 HB1 PHE 101 -3.406 -8.096 5.663 790 HD1 PHE 101 HD1 PHE 101 -4.046 -10.523 3.212 791 HD2 PHE 101 HD2 PHE 101 -1.002 -7.902 4.614 792 HE1 PHE 101 HE1 PHE 101 -2.943 -10.627 1.015 793 HE2 PHE 101 HE2 PHE 101 0.102 -8.010 2.421 794 HZ PHE 101 HZ PHE 101 -0.871 -9.368 0.617 795 H THR 102 H THR 102 -4.202 -11.719 6.326 796 HA THR 102 HA THR 102 -2.485 -13.578 4.965 797 HB THR 102 HB THR 102 -1.768 -13.927 7.299 798 HG1 THR 102 HG1 THR 102 -2.011 -15.724 5.748 799 HG21 THR 102 HG21 THR 102 -3.821 -13.251 8.446 800 HG22 THR 102 HG22 THR 102 -3.321 -14.865 8.948 801 HG23 THR 102 HG23 THR 102 -4.652 -14.668 7.807 802 H THR 103 H THR 103 -3.645 -15.149 3.902 803 HA THR 103 HA THR 103 -6.515 -14.976 3.911 804 HB THR 103 HB THR 103 -5.680 -17.288 2.520 805 HG1 THR 103 HG1 THR 103 -3.726 -16.833 1.846 806 HG21 THR 103 HG21 THR 103 -6.286 -14.509 1.498 807 HG22 THR 103 HG22 THR 103 -7.478 -15.760 1.852 808 HG23 THR 103 HG23 THR 103 -6.321 -15.991 0.541 809 H THR 104 H THR 104 -7.242 -15.635 5.896 810 HA THR 104 HA THR 104 -6.319 -18.193 6.961 811 HB THR 104 HB THR 104 -6.266 -16.356 8.532 812 HG1 THR 104 HG1 THR 104 -6.754 -18.054 9.736 813 HG21 THR 104 HG21 THR 104 -9.223 -16.061 8.001 814 HG22 THR 104 HG22 THR 104 -7.959 -14.913 7.562 815 HG23 THR 104 HG23 THR 104 -8.323 -15.215 9.261 816 H SER 105 H SER 105 -7.581 -19.944 7.159 817 HA SER 105 HA SER 105 -10.276 -19.786 6.002 818 HB2 SER 105 HB2 SER 105 -9.872 -22.286 5.595 819 HB3 SER 105 HB1 SER 105 -8.927 -21.162 4.617 820 HG SER 105 HG SER 105 -7.467 -22.603 5.380 821 H THR 106 H THR 106 -8.394 -21.692 8.349 822 HA THR 106 HA THR 106 -10.808 -22.445 9.750 823 HB THR 106 HB THR 106 -9.124 -23.564 11.326 824 HG1 THR 106 HG1 THR 106 -7.420 -22.144 9.924 825 HG21 THR 106 HG21 THR 106 -9.164 -24.376 8.418 826 HG22 THR 106 HG22 THR 106 -10.396 -24.776 9.615 827 HG23 THR 106 HG23 THR 106 -8.764 -25.423 9.779 828 H SER 107 H SER 107 -11.202 -20.054 10.089 829 HA SER 107 HA SER 107 -9.752 -18.951 12.370 830 HB2 SER 107 HB2 SER 107 -12.065 -17.659 10.931 831 HB3 SER 107 HB1 SER 107 -10.773 -16.885 11.846 832 HG SER 107 HG SER 107 -9.336 -17.778 10.145 833 H THR 108 H THR 108 -10.672 -20.792 13.696 834 HA THR 108 HA THR 108 -13.220 -19.919 14.836 835 HB THR 108 HB THR 108 -13.887 -21.714 13.413 836 HG1 THR 108 HG1 THR 108 -14.966 -21.883 15.318 837 HG21 THR 108 HG21 THR 108 -11.745 -23.404 14.698 838 HG22 THR 108 HG22 THR 108 -11.725 -22.779 13.050 839 HG23 THR 108 HG23 THR 108 -12.939 -23.965 13.528 840 HA PRO 109 HA PRO 109 -10.022 -20.584 18.129 841 HB2 PRO 109 HB2 PRO 109 -10.991 -18.011 19.125 842 HB3 PRO 109 HB1 PRO 109 -9.351 -18.484 18.679 843 HG2 PRO 109 HG2 PRO 109 -10.794 -16.731 17.221 844 HG3 PRO 109 HG1 PRO 109 -9.620 -17.839 16.485 845 HD2 PRO 109 HD2 PRO 109 -12.609 -18.074 16.639 846 HD3 PRO 109 HD1 PRO 109 -11.523 -18.396 15.268 847 H GLY 110 H GLY 110 -10.387 -20.730 20.467 848 HA2 GLY 110 HA2 GLY 110 -11.804 -20.939 22.351 849 HA3 GLY 110 HA1 GLY 110 -13.199 -20.784 21.288 850 H SER 111 H SER 111 -10.390 -22.885 21.040 851 HA SER 111 HA SER 111 -11.845 -25.052 20.042 852 HB2 SER 111 HB2 SER 111 -9.399 -24.626 19.718 853 HB3 SER 111 HB1 SER 111 -9.134 -25.145 21.380 854 HG SER 111 HG SER 111 -8.800 -26.840 19.885 855 H ARG 112 H ARG 112 -11.159 -24.098 23.318 856 HA ARG 112 HA ARG 112 -11.581 -26.641 24.524 857 HB2 ARG 112 HB2 ARG 112 -11.745 -23.844 25.639 858 HB3 ARG 112 HB1 ARG 112 -11.941 -25.287 26.620 859 HG2 ARG 112 HG2 ARG 112 -9.483 -24.619 25.018 860 HG3 ARG 112 HG1 ARG 112 -9.685 -24.314 26.743 861 HD2 ARG 112 HD2 ARG 112 -10.096 -26.759 27.047 862 HD3 ARG 112 HD1 ARG 112 -9.671 -26.986 25.350 863 HE ARG 112 HE ARG 112 -7.599 -25.574 26.583 864 HH11 ARG 112 HH11 ARG 112 -9.062 -28.751 26.666 865 HH12 ARG 112 HH12 ARG 112 -7.611 -29.546 27.187 866 HH21 ARG 112 HH21 ARG 112 -5.681 -26.628 27.269 867 HH22 ARG 112 HH22 ARG 112 -5.696 -28.342 27.535 868 H SER 113 H SER 113 -13.690 -23.911 23.781 869 HA SER 113 HA SER 113 -15.928 -25.189 25.108 870 HB2 SER 113 HB2 SER 113 -15.809 -22.586 23.572 871 HB3 SER 113 HB1 SER 113 -17.148 -23.138 24.582 872 HG SER 113 HG SER 113 -14.509 -22.480 25.401 873 H HIS 114 H HIS 114 -14.648 -24.886 21.909 874 HA HIS 114 HA HIS 114 -17.078 -25.505 20.536 875 HB2 HIS 114 HB2 HIS 114 -14.184 -25.640 19.689 876 HB3 HIS 114 HB1 HIS 114 -15.505 -26.111 18.626 877 HD1 HIS 114 HD1 HIS 114 -17.467 -23.785 19.274 878 HD2 HIS 114 HD2 HIS 114 -13.411 -23.318 18.503 879 HE1 HIS 114 HE1 HIS 114 -17.199 -21.419 18.482 880 HE2 HIS 114 HE2 HIS 114 -14.713 -21.100 18.251 881 H HIS 115 H HIS 115 -18.077 -27.302 21.175 882 HA HIS 115 HA HIS 115 -16.554 -29.762 21.563 883 HB2 HIS 115 HB2 HIS 115 -18.302 -29.031 23.227 884 HB3 HIS 115 HB1 HIS 115 -19.517 -29.296 21.983 885 HD1 HIS 115 HD1 HIS 115 -20.138 -31.745 21.432 886 HD2 HIS 115 HD2 HIS 115 -17.226 -31.357 24.375 887 HE1 HIS 115 HE1 HIS 115 -19.906 -34.025 22.459 888 HE2 HIS 115 HE2 HIS 115 -18.086 -33.789 24.182 889 H HIS 116 H HIS 116 -16.133 -29.558 19.144 890 HA HIS 116 HA HIS 116 -18.339 -30.707 17.587 891 HB2 HIS 116 HB2 HIS 116 -15.742 -29.418 16.748 892 HB3 HIS 116 HB1 HIS 116 -16.745 -30.325 15.626 893 HD1 HIS 116 HD1 HIS 116 -18.434 -28.999 14.406 894 HD2 HIS 116 HD2 HIS 116 -17.216 -27.113 17.901 895 HE1 HIS 116 HE1 HIS 116 -19.520 -26.736 14.363 896 HE2 HIS 116 HE2 HIS 116 -18.568 -25.533 16.359 897 H HIS 117 H HIS 117 -14.886 -31.131 17.088 898 HA HIS 117 HA HIS 117 -13.628 -32.976 16.672 899 HB2 HIS 117 HB2 HIS 117 -15.178 -34.025 19.047 900 HB3 HIS 117 HB1 HIS 117 -13.705 -34.740 18.409 901 HD1 HIS 117 HD1 HIS 117 -14.649 -32.847 21.136 902 HD2 HIS 117 HD2 HIS 117 -11.654 -32.366 18.299 903 HE1 HIS 117 HE1 HIS 117 -12.938 -31.352 22.209 904 HE2 HIS 117 HE2 HIS 117 -11.258 -30.901 20.390 905 H HIS 118 H HIS 118 -15.914 -32.812 15.068 906 HA HIS 118 HA HIS 118 -16.753 -35.622 14.847 907 HB2 HIS 118 HB2 HIS 118 -18.593 -34.039 15.386 908 HB3 HIS 118 HB1 HIS 118 -18.241 -33.161 13.902 909 HD1 HIS 118 HD1 HIS 118 -19.348 -33.981 11.809 910 HD2 HIS 118 HD2 HIS 118 -19.589 -36.727 14.920 911 HE1 HIS 118 HE1 HIS 118 -20.874 -35.802 10.987 912 HE2 HIS 118 HE2 HIS 118 -20.897 -37.514 12.831 913 H HIS 119 H HIS 119 -16.446 -36.658 12.960 914 HA HIS 119 HA HIS 119 -14.805 -35.341 10.975 915 HB2 HIS 119 HB2 HIS 119 -14.268 -37.628 11.717 916 HB3 HIS 119 HB1 HIS 119 -15.822 -38.191 11.115 917 HD1 HIS 119 HD1 HIS 119 -15.798 -39.101 8.820 918 HD2 HIS 119 HD2 HIS 119 -12.577 -36.572 9.518 919 HE1 HIS 119 HE1 HIS 119 -14.373 -39.234 6.752 920 HE2 HIS 119 HE2 HIS 119 -12.353 -37.819 7.265 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 6.138 9.175 15.783 2 H2 GLY 1 HT2 GLY 1 7.570 9.137 16.676 3 H3 GLY 1 HT3 GLY 1 6.091 8.840 17.438 4 HA2 GLY 1 HA1 GLY 1 7.285 6.782 17.096 5 HA3 GLY 1 HA2 GLY 1 5.791 6.822 16.171 6 H SER 2 H SER 2 6.853 5.143 14.897 7 HA SER 2 HA SER 2 8.665 6.306 12.886 8 HB2 SER 2 HB2 SER 2 8.550 3.415 13.783 9 HB3 SER 2 HB1 SER 2 9.671 4.103 12.608 10 HG SER 2 HG SER 2 9.530 4.572 15.395 11 H GLN 3 H GLN 3 7.774 6.471 10.953 12 HA GLN 3 HA GLN 3 6.345 6.284 9.216 13 HB2 GLN 3 HB2 GLN 3 6.429 3.405 10.100 14 HB3 GLN 3 HB1 GLN 3 5.493 3.924 8.707 15 HG2 GLN 3 HG2 GLN 3 7.494 3.178 7.800 16 HG3 GLN 3 HG1 GLN 3 7.670 4.931 7.837 17 HE21 GLN 3 HE21 GLN 3 9.879 4.900 7.847 18 HE22 GLN 3 HE22 GLN 3 10.814 4.348 9.191 19 H THR 4 H THR 4 5.329 6.984 11.845 20 HA THR 4 HA THR 4 2.589 5.967 11.775 21 HB THR 4 HB THR 4 2.379 7.371 13.901 22 HG1 THR 4 HG1 THR 4 4.088 8.434 14.570 23 HG21 THR 4 HG21 THR 4 2.618 4.947 13.963 24 HG22 THR 4 HG22 THR 4 3.529 5.686 15.279 25 HG23 THR 4 HG23 THR 4 4.371 5.101 13.845 26 H THR 5 H THR 5 4.357 9.039 11.837 27 HA THR 5 HA THR 5 1.963 10.459 10.989 28 HB THR 5 HB THR 5 4.705 11.530 11.691 29 HG1 THR 5 HG1 THR 5 2.470 10.807 13.171 30 HG21 THR 5 HG21 THR 5 3.444 13.042 10.219 31 HG22 THR 5 HG22 THR 5 3.582 13.702 11.848 32 HG23 THR 5 HG23 THR 5 2.068 12.967 11.322 33 H ALA 6 H ALA 6 1.543 10.350 8.920 34 HA ALA 6 HA ALA 6 3.497 11.301 7.002 35 HB1 ALA 6 HB1 ALA 6 3.191 9.393 5.490 36 HB2 ALA 6 HB2 ALA 6 2.217 8.581 6.716 37 HB3 ALA 6 HB3 ALA 6 3.926 8.898 7.014 38 HA PRO 7 HA PRO 7 -0.725 12.990 6.503 39 HB2 PRO 7 HB2 PRO 7 0.764 15.103 5.082 40 HB3 PRO 7 HB1 PRO 7 -0.376 15.238 6.423 41 HG2 PRO 7 HG2 PRO 7 2.248 15.609 6.789 42 HG3 PRO 7 HG1 PRO 7 1.247 14.811 8.017 43 HD2 PRO 7 HD2 PRO 7 3.115 13.600 6.015 44 HD3 PRO 7 HD1 PRO 7 2.863 13.175 7.721 45 H ASP 8 H ASP 8 1.648 12.102 4.176 46 HA ASP 8 HA ASP 8 -0.210 12.554 1.950 47 HB2 ASP 8 HB2 ASP 8 2.687 11.679 1.923 48 HB3 ASP 8 HB1 ASP 8 1.705 11.985 0.497 49 H ALA 9 H ALA 9 0.492 10.181 4.141 50 HA ALA 9 HA ALA 9 0.089 7.984 2.229 51 HB1 ALA 9 HB1 ALA 9 1.178 6.549 3.802 52 HB2 ALA 9 HB2 ALA 9 1.206 7.828 5.014 53 HB3 ALA 9 HB3 ALA 9 2.185 7.976 3.558 54 HA PRO 10 HA PRO 10 -3.924 7.171 4.039 55 HB2 PRO 10 HB2 PRO 10 -3.279 4.359 3.340 56 HB3 PRO 10 HB1 PRO 10 -4.679 5.337 2.889 57 HG2 PRO 10 HG2 PRO 10 -2.775 4.773 1.110 58 HG3 PRO 10 HG1 PRO 10 -3.566 6.361 1.134 59 HD2 PRO 10 HD2 PRO 10 -0.870 5.579 2.150 60 HD3 PRO 10 HD1 PRO 10 -1.364 7.043 1.319 61 HA PRO 11 HA PRO 11 -2.388 6.479 8.146 62 HB2 PRO 11 HB2 PRO 11 -5.265 5.772 8.555 63 HB3 PRO 11 HB1 PRO 11 -4.215 6.816 9.521 64 HG2 PRO 11 HG2 PRO 11 -5.981 7.869 7.838 65 HG3 PRO 11 HG1 PRO 11 -4.366 8.580 8.021 66 HD2 PRO 11 HD2 PRO 11 -5.482 6.960 5.792 67 HD3 PRO 11 HD1 PRO 11 -4.255 8.241 5.758 68 H ASP 12 H ASP 12 -5.063 4.201 7.565 69 HA ASP 12 HA ASP 12 -3.229 1.972 8.026 70 HB2 ASP 12 HB2 ASP 12 -4.123 2.454 10.224 71 HB3 ASP 12 HB1 ASP 12 -5.765 2.477 9.591 72 HA PRO 13 HA PRO 13 -5.909 0.473 4.723 73 HB2 PRO 13 HB2 PRO 13 -3.920 -1.576 4.301 74 HB3 PRO 13 HB1 PRO 13 -4.324 -0.212 3.260 75 HG2 PRO 13 HG2 PRO 13 -1.947 -0.458 4.595 76 HG3 PRO 13 HG1 PRO 13 -2.654 1.094 4.112 77 HD2 PRO 13 HD2 PRO 13 -2.685 -0.255 6.786 78 HD3 PRO 13 HD1 PRO 13 -2.469 1.463 6.388 79 H THR 14 H THR 14 -7.468 -1.011 4.917 80 HA THR 14 HA THR 14 -7.145 -3.056 7.003 81 HB THR 14 HB THR 14 -9.640 -3.084 7.070 82 HG1 THR 14 HG1 THR 14 -10.370 -2.224 5.229 83 HG21 THR 14 HG21 THR 14 -9.874 -0.970 8.288 84 HG22 THR 14 HG22 THR 14 -8.356 -0.404 7.594 85 HG23 THR 14 HG23 THR 14 -8.362 -1.782 8.694 86 H VAL 15 H VAL 15 -7.612 -5.152 6.578 87 HA VAL 15 HA VAL 15 -8.201 -5.837 3.785 88 HB VAL 15 HB VAL 15 -6.997 -7.485 6.011 89 HG11 VAL 15 HG11 VAL 15 -7.787 -8.349 3.232 90 HG12 VAL 15 HG12 VAL 15 -8.478 -8.924 4.747 91 HG13 VAL 15 HG13 VAL 15 -6.801 -9.297 4.343 92 HG21 VAL 15 HG21 VAL 15 -5.094 -7.619 4.412 93 HG22 VAL 15 HG22 VAL 15 -5.421 -5.988 4.991 94 HG23 VAL 15 HG23 VAL 15 -5.939 -6.473 3.376 95 H ASP 16 H ASP 16 -10.253 -6.137 3.389 96 HA ASP 16 HA ASP 16 -11.950 -7.345 5.474 97 HB2 ASP 16 HB2 ASP 16 -12.691 -5.165 3.505 98 HB3 ASP 16 HB1 ASP 16 -13.799 -5.931 4.636 99 H GLN 17 H GLN 17 -13.892 -8.425 4.609 100 HA GLN 17 HA GLN 17 -14.802 -10.099 3.377 101 HB2 GLN 17 HB2 GLN 17 -14.018 -8.170 1.210 102 HB3 GLN 17 HB1 GLN 17 -14.867 -9.648 0.860 103 HG2 GLN 17 HG2 GLN 17 -16.559 -8.091 0.979 104 HG3 GLN 17 HG1 GLN 17 -16.591 -8.839 2.571 105 HE21 GLN 17 HE21 GLN 17 -14.232 -6.487 1.476 106 HE22 GLN 17 HE22 GLN 17 -14.716 -5.226 2.555 107 H VAL 18 H VAL 18 -12.951 -11.429 4.159 108 HA VAL 18 HA VAL 18 -11.025 -12.173 2.114 109 HB VAL 18 HB VAL 18 -11.486 -13.381 4.849 110 HG11 VAL 18 HG11 VAL 18 -9.183 -13.680 2.925 111 HG12 VAL 18 HG12 VAL 18 -10.367 -14.919 3.340 112 HG13 VAL 18 HG13 VAL 18 -9.242 -14.331 4.564 113 HG21 VAL 18 HG21 VAL 18 -9.508 -12.097 5.533 114 HG22 VAL 18 HG22 VAL 18 -10.832 -11.048 5.028 115 HG23 VAL 18 HG23 VAL 18 -9.467 -11.328 3.948 116 H ASP 19 H ASP 19 -11.429 -13.660 0.633 117 HA ASP 19 HA ASP 19 -13.717 -15.473 1.006 118 HB2 ASP 19 HB2 ASP 19 -12.189 -14.840 -1.530 119 HB3 ASP 19 HB1 ASP 19 -13.671 -15.778 -1.413 120 H ASP 20 H ASP 20 -12.963 -17.323 -0.956 121 HA ASP 20 HA ASP 20 -11.481 -19.227 0.401 122 HB2 ASP 20 HB2 ASP 20 -12.889 -19.904 -1.403 123 HB3 ASP 20 HB1 ASP 20 -12.044 -18.865 -2.542 124 H THR 21 H THR 21 -10.390 -17.128 -2.262 125 HA THR 21 HA THR 21 -7.672 -17.248 -1.203 126 HB THR 21 HB THR 21 -6.988 -17.485 -3.755 127 HG1 THR 21 HG1 THR 21 -9.333 -19.109 -3.649 128 HG21 THR 21 HG21 THR 21 -6.244 -18.983 -1.978 129 HG22 THR 21 HG22 THR 21 -6.701 -19.903 -3.412 130 HG23 THR 21 HG23 THR 21 -7.790 -19.828 -2.027 131 H SER 22 H SER 22 -9.693 -15.145 -1.307 132 HA SER 22 HA SER 22 -8.080 -13.137 -2.657 133 HB2 SER 22 HB2 SER 22 -10.186 -12.108 -3.644 134 HB3 SER 22 HB1 SER 22 -9.616 -13.586 -4.413 135 HG SER 22 HG SER 22 -11.853 -13.187 -2.737 136 H ILE 23 H ILE 23 -8.309 -11.055 -1.832 137 HA ILE 23 HA ILE 23 -10.144 -10.716 0.454 138 HB ILE 23 HB ILE 23 -8.492 -9.454 1.682 139 HG12 ILE 23 HG12 ILE 23 -6.417 -10.115 -0.393 140 HG13 ILE 23 HG11 ILE 23 -7.387 -8.654 -0.514 141 HG21 ILE 23 HG21 ILE 23 -7.338 -12.074 0.743 142 HG22 ILE 23 HG22 ILE 23 -8.464 -11.841 2.079 143 HG23 ILE 23 HG23 ILE 23 -6.826 -11.195 2.183 144 HD11 ILE 23 HD11 ILE 23 -5.357 -8.039 0.495 145 HD12 ILE 23 HD12 ILE 23 -5.414 -9.398 1.621 146 HD13 ILE 23 HD13 ILE 23 -6.555 -8.064 1.788 147 H VAL 24 H VAL 24 -10.621 -8.422 0.899 148 HA VAL 24 HA VAL 24 -10.068 -6.670 -1.405 149 HB VAL 24 HB VAL 24 -12.209 -6.285 0.697 150 HG11 VAL 24 HG11 VAL 24 -11.426 -4.220 -0.324 151 HG12 VAL 24 HG12 VAL 24 -13.067 -4.594 -0.849 152 HG13 VAL 24 HG13 VAL 24 -11.706 -4.893 -1.929 153 HG21 VAL 24 HG21 VAL 24 -12.488 -7.303 -2.125 154 HG22 VAL 24 HG22 VAL 24 -13.814 -6.935 -1.021 155 HG23 VAL 24 HG23 VAL 24 -12.700 -8.250 -0.654 156 H VAL 25 H VAL 25 -8.249 -5.612 -0.929 157 HA VAL 25 HA VAL 25 -7.817 -4.664 1.795 158 HB VAL 25 HB VAL 25 -5.882 -5.697 0.902 159 HG11 VAL 25 HG11 VAL 25 -4.810 -4.904 -1.210 160 HG12 VAL 25 HG12 VAL 25 -6.289 -3.998 -1.544 161 HG13 VAL 25 HG13 VAL 25 -6.338 -5.758 -1.413 162 HG21 VAL 25 HG21 VAL 25 -5.374 -3.695 2.150 163 HG22 VAL 25 HG22 VAL 25 -5.526 -2.714 0.692 164 HG23 VAL 25 HG23 VAL 25 -4.220 -3.894 0.829 165 H ARG 26 H ARG 26 -8.453 -2.727 2.369 166 HA ARG 26 HA ARG 26 -8.774 -0.667 0.285 167 HB2 ARG 26 HB2 ARG 26 -10.567 -1.171 2.668 168 HB3 ARG 26 HB1 ARG 26 -10.720 0.184 1.559 169 HG2 ARG 26 HG2 ARG 26 -11.054 -1.476 -0.280 170 HG3 ARG 26 HG1 ARG 26 -11.119 -2.731 0.958 171 HD2 ARG 26 HD2 ARG 26 -13.039 -1.696 1.974 172 HD3 ARG 26 HD1 ARG 26 -12.929 -0.322 0.874 173 HE ARG 26 HE ARG 26 -13.267 -2.896 -0.402 174 HH11 ARG 26 HH11 ARG 26 -14.873 -0.082 0.921 175 HH12 ARG 26 HH12 ARG 26 -16.325 -0.322 0.002 176 HH21 ARG 26 HH21 ARG 26 -15.171 -3.208 -1.626 177 HH22 ARG 26 HH22 ARG 26 -16.489 -2.090 -1.452 178 H TRP 27 H TRP 27 -8.225 1.420 0.835 179 HA TRP 27 HA TRP 27 -6.920 1.740 3.449 180 HB2 TRP 27 HB2 TRP 27 -5.310 3.292 2.140 181 HB3 TRP 27 HB1 TRP 27 -5.079 1.550 2.025 182 HD1 TRP 27 HD1 TRP 27 -6.171 4.570 -0.044 183 HE1 TRP 27 HE1 TRP 27 -6.213 3.894 -2.524 184 HE3 TRP 27 HE3 TRP 27 -5.381 -0.454 0.465 185 HZ2 TRP 27 HZ2 TRP 27 -5.941 1.542 -4.066 186 HZ3 TRP 27 HZ3 TRP 27 -5.285 -1.845 -1.559 187 HH2 TRP 27 HH2 TRP 27 -5.559 -0.866 -3.777 188 H SER 28 H SER 28 -7.286 3.583 4.518 189 HA SER 28 HA SER 28 -9.355 5.336 3.504 190 HB2 SER 28 HB2 SER 28 -7.891 5.452 6.149 191 HB3 SER 28 HB1 SER 28 -9.423 6.229 5.747 192 HG SER 28 HG SER 28 -9.392 3.514 5.317 193 H ARG 29 H ARG 29 -9.084 7.421 2.882 194 HA ARG 29 HA ARG 29 -6.440 8.305 2.236 195 HB2 ARG 29 HB2 ARG 29 -9.173 9.537 1.959 196 HB3 ARG 29 HB1 ARG 29 -7.709 10.399 1.508 197 HG2 ARG 29 HG2 ARG 29 -8.443 7.711 0.389 198 HG3 ARG 29 HG1 ARG 29 -8.907 9.239 -0.360 199 HD2 ARG 29 HD2 ARG 29 -6.074 8.390 0.232 200 HD3 ARG 29 HD1 ARG 29 -6.858 8.268 -1.343 201 HE ARG 29 HE ARG 29 -6.307 10.813 0.055 202 HH11 ARG 29 HH11 ARG 29 -6.599 8.919 -2.880 203 HH12 ARG 29 HH12 ARG 29 -6.334 10.276 -3.925 204 HH21 ARG 29 HH21 ARG 29 -5.911 12.594 -1.326 205 HH22 ARG 29 HH22 ARG 29 -5.952 12.362 -3.044 206 HA PRO 30 HA PRO 30 -5.606 10.486 5.994 207 HB2 PRO 30 HB2 PRO 30 -3.476 11.924 5.145 208 HB3 PRO 30 HB1 PRO 30 -3.388 10.187 5.454 209 HG2 PRO 30 HG2 PRO 30 -3.675 11.638 2.857 210 HG3 PRO 30 HG1 PRO 30 -2.671 10.231 3.247 211 HD2 PRO 30 HD2 PRO 30 -5.063 10.052 1.961 212 HD3 PRO 30 HD1 PRO 30 -4.417 8.767 2.986 213 H1 MET 31 HT1 MET 31 -21.636 36.005 -7.136 214 H2 MET 31 HT2 MET 31 -21.624 34.521 -6.322 215 H3 MET 31 HT3 MET 31 -21.925 34.571 -7.984 216 HA MET 31 HA MET 31 -19.708 35.362 -8.410 217 HB2 MET 31 HB2 MET 31 -19.538 35.224 -5.410 218 HB3 MET 31 HB1 MET 31 -18.099 35.129 -6.407 219 HG2 MET 31 HG2 MET 31 -20.067 37.402 -6.411 220 HG3 MET 31 HG1 MET 31 -18.524 37.386 -5.562 221 HE1 MET 31 HE1 MET 31 -16.774 35.737 -7.865 222 HE2 MET 31 HE2 MET 31 -16.198 37.038 -6.824 223 HE3 MET 31 HE3 MET 31 -15.992 37.151 -8.571 224 H ARG 32 H ARG 32 -18.415 33.818 -9.208 225 HA ARG 32 HA ARG 32 -17.819 31.410 -7.820 226 HB2 ARG 32 HB2 ARG 32 -20.104 30.880 -8.677 227 HB3 ARG 32 HB1 ARG 32 -19.509 31.130 -10.313 228 HG2 ARG 32 HG2 ARG 32 -17.941 29.291 -10.041 229 HG3 ARG 32 HG1 ARG 32 -18.493 29.054 -8.383 230 HD2 ARG 32 HD2 ARG 32 -19.516 27.449 -9.918 231 HD3 ARG 32 HD1 ARG 32 -20.719 28.505 -9.181 232 HE ARG 32 HE ARG 32 -20.320 29.799 -11.438 233 HH11 ARG 32 HH11 ARG 32 -20.561 26.349 -10.944 234 HH12 ARG 32 HH12 ARG 32 -21.269 26.045 -12.497 235 HH21 ARG 32 HH21 ARG 32 -21.252 29.417 -13.478 236 HH22 ARG 32 HH22 ARG 32 -21.662 27.794 -13.939 237 H GLY 33 H GLY 33 -15.888 32.768 -8.342 238 HA2 GLY 33 HA2 GLY 33 -14.882 32.117 -11.044 239 HA3 GLY 33 HA1 GLY 33 -14.493 33.615 -10.214 240 H SER 34 H SER 34 -14.606 31.159 -7.984 241 HA SER 34 HA SER 34 -11.685 30.974 -7.982 242 HB2 SER 34 HB2 SER 34 -12.909 31.746 -5.915 243 HB3 SER 34 HB1 SER 34 -13.611 30.135 -5.803 244 HG SER 34 HG SER 34 -10.861 30.840 -5.653 245 H ASN 35 H ASN 35 -11.217 29.375 -9.417 246 HA ASN 35 HA ASN 35 -12.161 26.685 -8.701 247 HB2 ASN 35 HB2 ASN 35 -13.366 27.585 -10.742 248 HB3 ASN 35 HB1 ASN 35 -11.809 27.620 -11.559 249 HD21 ASN 35 HD21 ASN 35 -14.156 26.130 -12.279 250 HD22 ASN 35 HD22 ASN 35 -13.715 24.459 -12.255 251 H ALA 36 H ALA 36 -10.188 26.367 -7.638 252 HA ALA 36 HA ALA 36 -7.848 26.186 -9.417 253 HB1 ALA 36 HB1 ALA 36 -7.841 26.860 -6.476 254 HB2 ALA 36 HB2 ALA 36 -7.588 28.001 -7.797 255 HB3 ALA 36 HB3 ALA 36 -6.421 26.711 -7.512 256 HA PRO 37 HA PRO 37 -8.621 21.882 -8.232 257 HB2 PRO 37 HB2 PRO 37 -6.842 20.846 -10.038 258 HB3 PRO 37 HB1 PRO 37 -8.509 21.275 -10.433 259 HG2 PRO 37 HG2 PRO 37 -5.990 22.814 -10.906 260 HG3 PRO 37 HG1 PRO 37 -7.395 22.607 -11.968 261 HD2 PRO 37 HD2 PRO 37 -6.999 24.851 -10.526 262 HD3 PRO 37 HD1 PRO 37 -8.623 24.223 -10.869 263 H GLN 38 H GLN 38 -7.574 20.594 -6.813 264 HA GLN 38 HA GLN 38 -5.107 21.581 -5.702 265 HB2 GLN 38 HB2 GLN 38 -6.849 19.241 -4.928 266 HB3 GLN 38 HB1 GLN 38 -5.416 19.745 -4.041 267 HG2 GLN 38 HG2 GLN 38 -6.464 21.933 -3.641 268 HG3 GLN 38 HG1 GLN 38 -7.911 21.372 -4.474 269 HE21 GLN 38 HE21 GLN 38 -5.989 19.323 -2.397 270 HE22 GLN 38 HE22 GLN 38 -7.155 19.184 -1.131 271 HA PRO 39 HA PRO 39 -2.605 18.913 -8.268 272 HB2 PRO 39 HB2 PRO 39 -0.229 19.623 -7.134 273 HB3 PRO 39 HB1 PRO 39 -1.062 20.608 -8.340 274 HG2 PRO 39 HG2 PRO 39 -0.990 20.907 -5.369 275 HG3 PRO 39 HG1 PRO 39 -0.914 22.155 -6.625 276 HD2 PRO 39 HD2 PRO 39 -3.171 21.604 -5.232 277 HD3 PRO 39 HD1 PRO 39 -3.195 22.185 -6.910 278 H SER 40 H SER 40 -2.800 18.980 -4.823 279 HA SER 40 HA SER 40 -1.190 16.639 -4.395 280 HB2 SER 40 HB2 SER 40 -1.385 18.466 -2.715 281 HB3 SER 40 HB1 SER 40 -3.078 18.041 -2.493 282 HG SER 40 HG SER 40 -1.017 17.025 -1.246 283 H HIS 41 H HIS 41 -2.468 15.382 -5.999 284 HA HIS 41 HA HIS 41 -4.409 13.844 -4.471 285 HB2 HIS 41 HB2 HIS 41 -5.979 13.640 -6.285 286 HB3 HIS 41 HB1 HIS 41 -5.714 15.343 -5.974 287 HD1 HIS 41 HD1 HIS 41 -5.216 16.745 -7.962 288 HD2 HIS 41 HD2 HIS 41 -4.559 12.700 -8.686 289 HE1 HIS 41 HE1 HIS 41 -4.786 16.554 -10.433 290 HE2 HIS 41 HE2 HIS 41 -4.501 14.091 -10.864 291 H ILE 42 H ILE 42 -4.385 11.656 -4.899 292 HA ILE 42 HA ILE 42 -1.812 10.763 -5.824 293 HB ILE 42 HB ILE 42 -4.125 9.370 -4.492 294 HG12 ILE 42 HG12 ILE 42 -2.347 8.870 -2.785 295 HG13 ILE 42 HG11 ILE 42 -1.246 9.883 -3.709 296 HG21 ILE 42 HG21 ILE 42 -2.814 7.294 -4.497 297 HG22 ILE 42 HG22 ILE 42 -1.628 8.058 -5.556 298 HG23 ILE 42 HG23 ILE 42 -3.276 7.793 -6.125 299 HD11 ILE 42 HD11 ILE 42 -2.708 11.803 -3.319 300 HD12 ILE 42 HD12 ILE 42 -2.147 11.079 -1.812 301 HD13 ILE 42 HD13 ILE 42 -3.791 10.779 -2.378 302 H SER 43 H SER 43 -1.338 9.999 -7.723 303 HA SER 43 HA SER 43 -3.280 9.928 -9.815 304 HB2 SER 43 HB2 SER 43 -0.398 9.004 -9.866 305 HB3 SER 43 HB1 SER 43 -1.389 9.456 -11.253 306 HG SER 43 HG SER 43 -0.893 11.462 -10.902 307 H LYS 44 H LYS 44 -1.430 7.518 -8.006 308 HA LYS 44 HA LYS 44 -3.363 5.488 -8.555 309 HB2 LYS 44 HB2 LYS 44 -1.821 3.923 -9.694 310 HB3 LYS 44 HB1 LYS 44 -2.170 5.348 -10.661 311 HG2 LYS 44 HG2 LYS 44 -0.002 6.314 -9.918 312 HG3 LYS 44 HG1 LYS 44 0.348 4.783 -9.108 313 HD2 LYS 44 HD2 LYS 44 0.209 3.606 -11.233 314 HD3 LYS 44 HD1 LYS 44 -0.207 5.109 -12.057 315 HE2 LYS 44 HE2 LYS 44 1.975 6.046 -11.370 316 HE3 LYS 44 HE1 LYS 44 2.386 4.491 -10.645 317 HZ1 LYS 44 HZ1 LYS 44 3.338 4.700 -12.849 318 HZ2 LYS 44 HZ2 LYS 44 1.810 4.972 -13.520 319 HZ3 LYS 44 HZ3 LYS 44 2.178 3.471 -12.835 320 H TYR 45 H TYR 45 -3.183 3.740 -7.188 321 HA TYR 45 HA TYR 45 -1.096 3.913 -5.114 322 HB2 TYR 45 HB2 TYR 45 -3.564 2.168 -5.047 323 HB3 TYR 45 HB1 TYR 45 -2.529 2.621 -3.704 324 HD1 TYR 45 HD1 TYR 45 -5.386 3.522 -5.724 325 HD2 TYR 45 HD2 TYR 45 -2.661 4.938 -2.778 326 HE1 TYR 45 HE1 TYR 45 -6.955 5.323 -5.150 327 HE2 TYR 45 HE2 TYR 45 -4.224 6.751 -2.202 328 HH TYR 45 HH TYR 45 -7.469 6.792 -3.310 329 H ILE 46 H ILE 46 0.361 2.253 -4.912 330 HA ILE 46 HA ILE 46 0.016 -0.027 -6.745 331 HB ILE 46 HB ILE 46 2.513 1.314 -5.733 332 HG12 ILE 46 HG12 ILE 46 3.103 1.136 -8.195 333 HG13 ILE 46 HG11 ILE 46 1.454 0.590 -8.469 334 HG21 ILE 46 HG21 ILE 46 2.355 -1.428 -6.973 335 HG22 ILE 46 HG22 ILE 46 2.848 -1.051 -5.322 336 HG23 ILE 46 HG23 ILE 46 3.839 -0.522 -6.679 337 HD11 ILE 46 HD11 ILE 46 2.282 3.256 -7.345 338 HD12 ILE 46 HD12 ILE 46 0.619 2.716 -7.588 339 HD13 ILE 46 HD13 ILE 46 1.684 2.943 -8.975 340 H LEU 47 H LEU 47 -0.534 -1.845 -5.824 341 HA LEU 47 HA LEU 47 0.076 -2.276 -2.982 342 HB2 LEU 47 HB2 LEU 47 -2.302 -2.495 -4.120 343 HB3 LEU 47 HB1 LEU 47 -1.698 -4.053 -4.633 344 HG LEU 47 HG LEU 47 -3.059 -4.330 -2.670 345 HD11 LEU 47 HD11 LEU 47 -1.267 -5.871 -2.749 346 HD12 LEU 47 HD12 LEU 47 -1.434 -5.337 -1.078 347 HD13 LEU 47 HD13 LEU 47 -0.135 -4.693 -2.085 348 HD21 LEU 47 HD21 LEU 47 -1.221 -2.351 -1.338 349 HD22 LEU 47 HD22 LEU 47 -2.459 -3.304 -0.521 350 HD23 LEU 47 HD23 LEU 47 -2.923 -2.116 -1.737 351 H ARG 48 H ARG 48 1.851 -3.442 -2.604 352 HA ARG 48 HA ARG 48 2.512 -5.595 -4.509 353 HB2 ARG 48 HB2 ARG 48 4.405 -4.022 -2.753 354 HB3 ARG 48 HB1 ARG 48 4.860 -5.374 -3.779 355 HG2 ARG 48 HG2 ARG 48 4.018 -4.042 -5.731 356 HG3 ARG 48 HG1 ARG 48 3.865 -2.673 -4.631 357 HD2 ARG 48 HD2 ARG 48 6.392 -4.182 -5.282 358 HD3 ARG 48 HD1 ARG 48 5.971 -2.555 -5.817 359 HE ARG 48 HE ARG 48 5.871 -2.266 -3.181 360 HH11 ARG 48 HH11 ARG 48 8.283 -3.791 -5.208 361 HH12 ARG 48 HH12 ARG 48 9.599 -3.436 -4.138 362 HH21 ARG 48 HH21 ARG 48 7.623 -1.791 -1.764 363 HH22 ARG 48 HH22 ARG 48 9.224 -2.304 -2.184 364 H TRP 49 H TRP 49 2.451 -7.608 -3.735 365 HA TRP 49 HA TRP 49 2.712 -7.946 -0.835 366 HB2 TRP 49 HB2 TRP 49 1.005 -9.703 -0.852 367 HB3 TRP 49 HB1 TRP 49 0.350 -8.156 -1.362 368 HD1 TRP 49 HD1 TRP 49 0.704 -11.722 -2.452 369 HE1 TRP 49 HE1 TRP 49 -0.405 -12.039 -4.755 370 HE3 TRP 49 HE3 TRP 49 0.017 -6.819 -3.694 371 HZ2 TRP 49 HZ2 TRP 49 -1.433 -10.413 -6.818 372 HZ3 TRP 49 HZ3 TRP 49 -1.039 -6.282 -5.847 373 HH2 TRP 49 HH2 TRP 49 -1.748 -8.043 -7.377 374 H ARG 50 H ARG 50 3.828 -9.626 -0.108 375 HA ARG 50 HA ARG 50 4.944 -11.549 -2.019 376 HB2 ARG 50 HB2 ARG 50 6.508 -9.601 -1.680 377 HB3 ARG 50 HB1 ARG 50 6.586 -10.028 0.020 378 HG2 ARG 50 HG2 ARG 50 7.311 -12.055 -2.044 379 HG3 ARG 50 HG1 ARG 50 8.454 -10.784 -1.618 380 HD2 ARG 50 HD2 ARG 50 7.190 -12.739 0.301 381 HD3 ARG 50 HD1 ARG 50 8.836 -12.829 -0.326 382 HE ARG 50 HE ARG 50 8.351 -10.333 0.948 383 HH11 ARG 50 HH11 ARG 50 8.996 -13.708 1.611 384 HH12 ARG 50 HH12 ARG 50 9.761 -13.395 3.138 385 HH21 ARG 50 HH21 ARG 50 9.339 -9.919 2.990 386 HH22 ARG 50 HH22 ARG 50 9.970 -11.249 3.909 387 HA PRO 51 HA PRO 51 3.673 -14.285 1.285 388 HB2 PRO 51 HB2 PRO 51 5.579 -16.186 0.097 389 HB3 PRO 51 HB1 PRO 51 3.841 -16.348 0.339 390 HG2 PRO 51 HG2 PRO 51 4.923 -15.988 -2.101 391 HG3 PRO 51 HG1 PRO 51 3.334 -15.340 -1.662 392 HD2 PRO 51 HD2 PRO 51 5.951 -13.935 -1.920 393 HD3 PRO 51 HD1 PRO 51 4.315 -13.364 -2.307 394 H LYS 52 H LYS 52 4.432 -14.070 3.248 395 HA LYS 52 HA LYS 52 6.935 -12.988 3.849 396 HB2 LYS 52 HB2 LYS 52 4.550 -13.401 5.139 397 HB3 LYS 52 HB1 LYS 52 5.641 -14.456 6.023 398 HG2 LYS 52 HG2 LYS 52 6.242 -11.566 5.518 399 HG3 LYS 52 HG1 LYS 52 5.321 -12.129 6.914 400 HD2 LYS 52 HD2 LYS 52 7.191 -13.429 7.681 401 HD3 LYS 52 HD1 LYS 52 8.102 -13.062 6.214 402 HE2 LYS 52 HE2 LYS 52 8.740 -11.712 8.232 403 HE3 LYS 52 HE1 LYS 52 8.296 -10.772 6.810 404 HZ1 LYS 52 HZ1 LYS 52 7.331 -9.950 8.924 405 HZ2 LYS 52 HZ2 LYS 52 6.427 -11.371 9.030 406 HZ3 LYS 52 HZ3 LYS 52 6.171 -10.302 7.740 407 H ASN 53 H ASN 53 5.791 -16.320 4.006 408 HA ASN 53 HA ASN 53 8.244 -17.211 5.276 409 HB2 ASN 53 HB2 ASN 53 7.144 -19.435 5.275 410 HB3 ASN 53 HB1 ASN 53 6.163 -18.189 6.040 411 HD21 ASN 53 HD21 ASN 53 6.474 -20.343 3.353 412 HD22 ASN 53 HD22 ASN 53 4.884 -20.107 2.716 413 H SER 54 H SER 54 7.335 -16.596 2.146 414 HA SER 54 HA SER 54 9.008 -18.763 1.073 415 HB2 SER 54 HB2 SER 54 7.083 -17.060 -0.508 416 HB3 SER 54 HB1 SER 54 7.819 -18.587 -0.983 417 HG SER 54 HG SER 54 6.649 -19.411 0.989 418 H VAL 55 H VAL 55 10.430 -18.246 -0.694 419 HA VAL 55 HA VAL 55 11.665 -15.639 -0.385 420 HB VAL 55 HB VAL 55 12.984 -17.758 -0.290 421 HG11 VAL 55 HG11 VAL 55 12.363 -17.918 -3.231 422 HG12 VAL 55 HG12 VAL 55 11.825 -19.038 -1.980 423 HG13 VAL 55 HG13 VAL 55 13.539 -18.916 -2.374 424 HG21 VAL 55 HG21 VAL 55 13.746 -15.833 -2.468 425 HG22 VAL 55 HG22 VAL 55 14.840 -16.963 -1.672 426 HG23 VAL 55 HG23 VAL 55 14.087 -15.665 -0.747 427 H GLY 56 H GLY 56 9.105 -15.890 -1.723 428 HA2 GLY 56 HA2 GLY 56 9.509 -15.666 -4.554 429 HA3 GLY 56 HA1 GLY 56 8.013 -15.360 -3.685 430 H ARG 57 H ARG 57 8.319 -13.672 -5.597 431 HA ARG 57 HA ARG 57 9.806 -11.338 -4.637 432 HB2 ARG 57 HB2 ARG 57 8.724 -12.134 -7.321 433 HB3 ARG 57 HB1 ARG 57 9.121 -10.457 -6.985 434 HG2 ARG 57 HG2 ARG 57 10.990 -11.429 -8.073 435 HG3 ARG 57 HG1 ARG 57 11.427 -11.216 -6.378 436 HD2 ARG 57 HD2 ARG 57 10.840 -13.594 -5.986 437 HD3 ARG 57 HD1 ARG 57 10.560 -13.770 -7.716 438 HE ARG 57 HE ARG 57 13.166 -12.749 -7.064 439 HH11 ARG 57 HH11 ARG 57 11.228 -15.622 -7.525 440 HH12 ARG 57 HH12 ARG 57 12.591 -16.650 -7.844 441 HH21 ARG 57 HH21 ARG 57 14.969 -14.096 -7.496 442 HH22 ARG 57 HH22 ARG 57 14.718 -15.780 -7.833 443 H TRP 58 H TRP 58 8.723 -9.196 -5.108 444 HA TRP 58 HA TRP 58 6.142 -9.195 -3.809 445 HB2 TRP 58 HB2 TRP 58 7.820 -6.906 -4.874 446 HB3 TRP 58 HB1 TRP 58 6.358 -6.729 -3.913 447 HD1 TRP 58 HD1 TRP 58 10.022 -7.832 -3.607 448 HE1 TRP 58 HE1 TRP 58 10.688 -7.765 -1.123 449 HE3 TRP 58 HE3 TRP 58 5.442 -6.827 -1.565 450 HZ2 TRP 58 HZ2 TRP 58 9.438 -7.339 1.369 451 HZ3 TRP 58 HZ3 TRP 58 5.266 -6.604 0.879 452 HH2 TRP 58 HH2 TRP 58 7.224 -6.855 2.313 453 H LYS 59 H LYS 59 4.346 -9.499 -4.935 454 HA LYS 59 HA LYS 59 4.265 -9.044 -7.783 455 HB2 LYS 59 HB2 LYS 59 2.030 -9.808 -5.890 456 HB3 LYS 59 HB1 LYS 59 1.982 -9.897 -7.643 457 HG2 LYS 59 HG2 LYS 59 3.770 -11.570 -7.605 458 HG3 LYS 59 HG1 LYS 59 3.788 -11.493 -5.844 459 HD2 LYS 59 HD2 LYS 59 2.504 -13.390 -6.363 460 HD3 LYS 59 HD1 LYS 59 1.330 -12.144 -5.945 461 HE2 LYS 59 HE2 LYS 59 2.125 -12.562 -8.797 462 HE3 LYS 59 HE1 LYS 59 0.960 -13.644 -8.043 463 HZ1 LYS 59 HZ1 LYS 59 0.690 -10.696 -8.282 464 HZ2 LYS 59 HZ2 LYS 59 -0.423 -11.726 -7.531 465 HZ3 LYS 59 HZ3 LYS 59 -0.144 -11.851 -9.191 466 H GLU 60 H GLU 60 3.129 -7.408 -8.851 467 HA GLU 60 HA GLU 60 2.514 -5.121 -7.093 468 HB2 GLU 60 HB2 GLU 60 3.528 -5.051 -9.937 469 HB3 GLU 60 HB1 GLU 60 3.248 -3.663 -8.898 470 HG2 GLU 60 HG2 GLU 60 5.005 -4.490 -7.378 471 HG3 GLU 60 HG1 GLU 60 5.317 -5.809 -8.507 472 H ALA 61 H ALA 61 0.653 -4.058 -7.309 473 HA ALA 61 HA ALA 61 -0.989 -4.524 -9.705 474 HB1 ALA 61 HB1 ALA 61 -1.911 -5.863 -7.882 475 HB2 ALA 61 HB2 ALA 61 -3.002 -4.547 -8.317 476 HB3 ALA 61 HB3 ALA 61 -2.007 -4.425 -6.866 477 H THR 62 H THR 62 -1.759 -2.694 -10.609 478 HA THR 62 HA THR 62 -1.241 -0.171 -9.209 479 HB THR 62 HB THR 62 -1.933 -0.650 -12.116 480 HG1 THR 62 HG1 THR 62 0.323 -1.100 -10.892 481 HG21 THR 62 HG21 THR 62 -1.256 1.686 -12.437 482 HG22 THR 62 HG22 THR 62 -1.015 1.856 -10.699 483 HG23 THR 62 HG23 THR 62 -2.631 1.563 -11.340 484 H ILE 63 H ILE 63 -2.872 0.734 -8.165 485 HA ILE 63 HA ILE 63 -5.616 0.283 -9.150 486 HB ILE 63 HB ILE 63 -4.739 1.155 -6.386 487 HG12 ILE 63 HG12 ILE 63 -5.905 -1.125 -5.839 488 HG13 ILE 63 HG11 ILE 63 -5.522 -1.509 -7.512 489 HG21 ILE 63 HG21 ILE 63 -7.091 0.846 -5.765 490 HG22 ILE 63 HG22 ILE 63 -7.479 0.485 -7.446 491 HG23 ILE 63 HG23 ILE 63 -6.895 2.088 -7.002 492 HD11 ILE 63 HD11 ILE 63 -3.152 -1.117 -7.046 493 HD12 ILE 63 HD12 ILE 63 -3.832 -2.372 -6.009 494 HD13 ILE 63 HD13 ILE 63 -3.550 -0.753 -5.367 495 HA PRO 64 HA PRO 64 -5.428 4.576 -10.597 496 HB2 PRO 64 HB2 PRO 64 -8.358 3.980 -10.456 497 HB3 PRO 64 HB1 PRO 64 -7.442 4.796 -11.728 498 HG2 PRO 64 HG2 PRO 64 -8.193 2.269 -12.040 499 HG3 PRO 64 HG1 PRO 64 -6.588 2.801 -12.572 500 HD2 PRO 64 HD2 PRO 64 -7.356 1.178 -10.199 501 HD3 PRO 64 HD1 PRO 64 -5.885 1.108 -11.189 502 H GLY 65 H GLY 65 -5.694 6.503 -9.556 503 HA2 GLY 65 HA2 GLY 65 -5.955 6.300 -6.714 504 HA3 GLY 65 HA1 GLY 65 -5.553 7.742 -7.624 505 H HIS 66 H HIS 66 -8.450 5.657 -7.549 506 HA HIS 66 HA HIS 66 -9.948 7.592 -6.066 507 HB2 HIS 66 HB2 HIS 66 -11.550 8.259 -7.710 508 HB3 HIS 66 HB1 HIS 66 -9.959 8.585 -8.378 509 HD1 HIS 66 HD1 HIS 66 -13.010 7.630 -9.583 510 HD2 HIS 66 HD2 HIS 66 -9.263 5.861 -9.902 511 HE1 HIS 66 HE1 HIS 66 -13.120 6.174 -11.629 512 HE2 HIS 66 HE2 HIS 66 -10.846 5.104 -11.802 513 H LEU 67 H LEU 67 -9.214 4.623 -6.417 514 HA LEU 67 HA LEU 67 -11.945 3.536 -6.360 515 HB2 LEU 67 HB2 LEU 67 -9.363 2.009 -6.677 516 HB3 LEU 67 HB1 LEU 67 -10.986 1.369 -6.835 517 HG LEU 67 HG LEU 67 -9.602 3.294 -8.698 518 HD11 LEU 67 HD11 LEU 67 -10.650 0.505 -9.126 519 HD12 LEU 67 HD12 LEU 67 -8.958 0.944 -8.911 520 HD13 LEU 67 HD13 LEU 67 -9.844 1.518 -10.322 521 HD21 LEU 67 HD21 LEU 67 -12.450 2.307 -8.741 522 HD22 LEU 67 HD22 LEU 67 -11.653 3.168 -10.057 523 HD23 LEU 67 HD23 LEU 67 -11.909 3.970 -8.510 524 H ASN 68 H ASN 68 -8.793 3.108 -4.806 525 HA ASN 68 HA ASN 68 -8.159 2.988 -2.637 526 HB2 ASN 68 HB2 ASN 68 -11.035 3.747 -2.115 527 HB3 ASN 68 HB1 ASN 68 -9.833 3.558 -0.843 528 HD21 ASN 68 HD21 ASN 68 -10.172 5.743 -0.280 529 HD22 ASN 68 HD22 ASN 68 -9.493 7.025 -1.219 530 H SER 69 H SER 69 -9.657 0.751 -4.174 531 HA SER 69 HA SER 69 -9.473 -1.151 -1.990 532 HB2 SER 69 HB2 SER 69 -11.661 -2.201 -2.660 533 HB3 SER 69 HB1 SER 69 -11.822 -0.616 -1.904 534 HG SER 69 HG SER 69 -12.593 0.167 -3.700 535 H TYR 70 H TYR 70 -8.783 -3.147 -2.649 536 HA TYR 70 HA TYR 70 -8.826 -3.787 -5.497 537 HB2 TYR 70 HB2 TYR 70 -6.659 -2.720 -5.177 538 HB3 TYR 70 HB1 TYR 70 -6.310 -3.770 -3.812 539 HD1 TYR 70 HD1 TYR 70 -7.199 -4.015 -7.438 540 HD2 TYR 70 HD2 TYR 70 -4.983 -5.615 -4.184 541 HE1 TYR 70 HE1 TYR 70 -6.148 -5.635 -8.959 542 HE2 TYR 70 HE2 TYR 70 -3.922 -7.241 -5.696 543 HH TYR 70 HH TYR 70 -4.036 -6.981 -9.045 544 H THR 71 H THR 71 -9.247 -5.878 -5.869 545 HA THR 71 HA THR 71 -9.419 -7.681 -3.586 546 HB THR 71 HB THR 71 -10.250 -8.159 -6.460 547 HG1 THR 71 HG1 THR 71 -12.148 -7.825 -4.443 548 HG21 THR 71 HG21 THR 71 -10.906 -9.657 -3.918 549 HG22 THR 71 HG22 THR 71 -9.841 -10.222 -5.207 550 HG23 THR 71 HG23 THR 71 -11.564 -10.007 -5.516 551 H ILE 72 H ILE 72 -7.376 -8.375 -3.111 552 HA ILE 72 HA ILE 72 -5.516 -9.178 -5.152 553 HB ILE 72 HB ILE 72 -5.386 -9.871 -2.214 554 HG12 ILE 72 HG12 ILE 72 -4.256 -7.454 -3.642 555 HG13 ILE 72 HG11 ILE 72 -5.572 -7.436 -2.472 556 HG21 ILE 72 HG21 ILE 72 -2.979 -10.052 -2.643 557 HG22 ILE 72 HG22 ILE 72 -3.265 -9.697 -4.347 558 HG23 ILE 72 HG23 ILE 72 -3.911 -11.174 -3.634 559 HD11 ILE 72 HD11 ILE 72 -3.934 -8.398 -0.816 560 HD12 ILE 72 HD12 ILE 72 -3.646 -6.730 -1.320 561 HD13 ILE 72 HD13 ILE 72 -2.674 -8.042 -1.997 562 H LYS 73 H LYS 73 -5.536 -11.063 -6.185 563 HA LYS 73 HA LYS 73 -7.085 -13.263 -4.996 564 HB2 LYS 73 HB2 LYS 73 -6.571 -12.634 -7.908 565 HB3 LYS 73 HB1 LYS 73 -7.451 -14.038 -7.319 566 HG2 LYS 73 HG2 LYS 73 -9.129 -12.558 -6.320 567 HG3 LYS 73 HG1 LYS 73 -8.252 -11.159 -6.942 568 HD2 LYS 73 HD2 LYS 73 -8.614 -11.919 -9.222 569 HD3 LYS 73 HD1 LYS 73 -9.428 -13.366 -8.627 570 HE2 LYS 73 HE2 LYS 73 -11.144 -11.941 -7.586 571 HE3 LYS 73 HE1 LYS 73 -10.346 -10.520 -8.255 572 HZ1 LYS 73 HZ1 LYS 73 -11.484 -12.746 -9.860 573 HZ2 LYS 73 HZ2 LYS 73 -10.790 -11.328 -10.467 574 HZ3 LYS 73 HZ3 LYS 73 -12.236 -11.254 -9.598 575 H GLY 74 H GLY 74 -6.262 -15.330 -5.030 576 HA2 GLY 74 HA2 GLY 74 -4.647 -16.974 -5.665 577 HA3 GLY 74 HA1 GLY 74 -3.522 -15.675 -6.039 578 H LEU 75 H LEU 75 -5.156 -15.058 -3.183 579 HA LEU 75 HA LEU 75 -2.757 -15.471 -1.644 580 HB2 LEU 75 HB2 LEU 75 -5.487 -14.467 -0.844 581 HB3 LEU 75 HB1 LEU 75 -4.095 -14.516 0.220 582 HG LEU 75 HG LEU 75 -4.399 -12.822 -2.266 583 HD11 LEU 75 HD11 LEU 75 -5.657 -11.997 -0.392 584 HD12 LEU 75 HD12 LEU 75 -4.246 -10.974 -0.663 585 HD13 LEU 75 HD13 LEU 75 -4.249 -12.142 0.658 586 HD21 LEU 75 HD21 LEU 75 -2.057 -13.098 -0.385 587 HD22 LEU 75 HD22 LEU 75 -2.222 -11.868 -1.636 588 HD23 LEU 75 HD23 LEU 75 -2.101 -13.568 -2.085 589 H LYS 76 H LYS 76 -2.271 -17.186 -0.480 590 HA LYS 76 HA LYS 76 -4.220 -19.341 -0.279 591 HB2 LYS 76 HB2 LYS 76 -1.271 -19.269 0.392 592 HB3 LYS 76 HB1 LYS 76 -2.286 -20.706 0.387 593 HG2 LYS 76 HG2 LYS 76 -2.623 -20.525 -1.984 594 HG3 LYS 76 HG1 LYS 76 -1.762 -18.987 -2.027 595 HD2 LYS 76 HD2 LYS 76 -0.325 -20.785 -2.807 596 HD3 LYS 76 HD1 LYS 76 0.286 -20.124 -1.290 597 HE2 LYS 76 HE2 LYS 76 0.406 -22.562 -1.312 598 HE3 LYS 76 HE1 LYS 76 -0.703 -21.987 -0.068 599 HZ1 LYS 76 HZ1 LYS 76 -1.497 -23.016 -2.739 600 HZ2 LYS 76 HZ2 LYS 76 -2.552 -22.497 -1.526 601 HZ3 LYS 76 HZ3 LYS 76 -1.605 -23.871 -1.285 602 HA PRO 77 HA PRO 77 -5.129 -18.256 3.998 603 HB2 PRO 77 HB2 PRO 77 -6.305 -20.971 3.975 604 HB3 PRO 77 HB1 PRO 77 -7.049 -19.427 4.403 605 HG2 PRO 77 HG2 PRO 77 -7.651 -20.666 2.111 606 HG3 PRO 77 HG1 PRO 77 -7.538 -18.900 2.208 607 HD2 PRO 77 HD2 PRO 77 -5.582 -20.866 1.090 608 HD3 PRO 77 HD1 PRO 77 -6.034 -19.255 0.494 609 H GLY 78 H GLY 78 -3.723 -18.492 5.611 610 HA2 GLY 78 HA2 GLY 78 -2.626 -19.902 7.238 611 HA3 GLY 78 HA1 GLY 78 -2.419 -21.112 5.980 612 H VAL 79 H VAL 79 -1.716 -18.882 4.097 613 HA VAL 79 HA VAL 79 1.107 -18.662 4.851 614 HB VAL 79 HB VAL 79 -0.275 -18.159 2.200 615 HG11 VAL 79 HG11 VAL 79 1.682 -16.744 2.411 616 HG12 VAL 79 HG12 VAL 79 1.987 -18.045 1.258 617 HG13 VAL 79 HG13 VAL 79 2.658 -18.135 2.887 618 HG21 VAL 79 HG21 VAL 79 -0.222 -20.517 2.775 619 HG22 VAL 79 HG22 VAL 79 1.511 -20.414 3.093 620 HG23 VAL 79 HG23 VAL 79 0.900 -20.174 1.456 621 H VAL 80 H VAL 80 1.717 -16.800 5.789 622 HA VAL 80 HA VAL 80 -0.015 -14.502 5.668 623 HB VAL 80 HB VAL 80 1.608 -13.415 7.186 624 HG11 VAL 80 HG11 VAL 80 0.774 -16.193 8.006 625 HG12 VAL 80 HG12 VAL 80 -0.204 -14.729 8.113 626 HG13 VAL 80 HG13 VAL 80 1.243 -14.897 9.107 627 HG21 VAL 80 HG21 VAL 80 3.710 -14.274 6.591 628 HG22 VAL 80 HG22 VAL 80 3.167 -15.944 6.747 629 HG23 VAL 80 HG23 VAL 80 3.381 -14.949 8.187 630 H TYR 81 H TYR 81 0.241 -12.701 4.502 631 HA TYR 81 HA TYR 81 2.549 -12.625 2.664 632 HB2 TYR 81 HB2 TYR 81 -0.278 -11.630 2.259 633 HB3 TYR 81 HB1 TYR 81 1.046 -11.315 1.147 634 HD1 TYR 81 HD1 TYR 81 1.855 -13.032 -0.338 635 HD2 TYR 81 HD2 TYR 81 -1.227 -13.876 2.468 636 HE1 TYR 81 HE1 TYR 81 1.346 -15.120 -1.531 637 HE2 TYR 81 HE2 TYR 81 -1.737 -15.970 1.286 638 HH TYR 81 HH TYR 81 0.311 -17.252 -1.147 639 H GLU 82 H GLU 82 3.502 -10.637 2.221 640 HA GLU 82 HA GLU 82 3.036 -8.555 4.243 641 HB2 GLU 82 HB2 GLU 82 5.339 -9.062 2.342 642 HB3 GLU 82 HB1 GLU 82 5.247 -7.690 3.436 643 HG2 GLU 82 HG2 GLU 82 4.984 -10.407 4.584 644 HG3 GLU 82 HG1 GLU 82 6.578 -9.885 4.038 645 H GLY 83 H GLY 83 2.036 -6.718 3.653 646 HA2 GLY 83 HA2 GLY 83 1.686 -6.249 0.758 647 HA3 GLY 83 HA1 GLY 83 0.470 -5.871 1.968 648 H GLN 84 H GLN 84 2.471 -4.452 -0.056 649 HA GLN 84 HA GLN 84 3.029 -2.194 1.767 650 HB2 GLN 84 HB2 GLN 84 4.363 -2.735 -0.892 651 HB3 GLN 84 HB1 GLN 84 4.829 -1.540 0.308 652 HG2 GLN 84 HG2 GLN 84 4.938 -4.508 0.757 653 HG3 GLN 84 HG1 GLN 84 6.296 -3.542 0.191 654 HE21 GLN 84 HE21 GLN 84 4.267 -4.332 2.891 655 HE22 GLN 84 HE22 GLN 84 5.250 -3.590 4.099 656 H LEU 85 H LEU 85 1.506 -0.650 1.506 657 HA LEU 85 HA LEU 85 0.306 -0.279 -1.137 658 HB2 LEU 85 HB2 LEU 85 -1.126 -0.397 0.931 659 HB3 LEU 85 HB1 LEU 85 -0.402 1.106 1.455 660 HG LEU 85 HG LEU 85 -2.711 1.236 0.385 661 HD11 LEU 85 HD11 LEU 85 -0.536 2.904 -0.864 662 HD12 LEU 85 HD12 LEU 85 -1.280 3.201 0.708 663 HD13 LEU 85 HD13 LEU 85 -2.248 3.315 -0.762 664 HD21 LEU 85 HD21 LEU 85 -2.830 1.240 -2.027 665 HD22 LEU 85 HD22 LEU 85 -2.246 -0.321 -1.457 666 HD23 LEU 85 HD23 LEU 85 -1.116 0.846 -2.140 667 H ILE 86 H ILE 86 1.318 1.021 -2.461 668 HA ILE 86 HA ILE 86 2.892 3.259 -1.361 669 HB ILE 86 HB ILE 86 3.191 2.051 -4.106 670 HG12 ILE 86 HG12 ILE 86 4.952 1.375 -1.762 671 HG13 ILE 86 HG11 ILE 86 3.522 0.419 -2.133 672 HG21 ILE 86 HG21 ILE 86 5.406 3.077 -4.012 673 HG22 ILE 86 HG22 ILE 86 5.062 3.683 -2.392 674 HG23 ILE 86 HG23 ILE 86 4.139 4.281 -3.773 675 HD11 ILE 86 HD11 ILE 86 5.742 0.925 -4.090 676 HD12 ILE 86 HD12 ILE 86 4.405 -0.218 -4.243 677 HD13 ILE 86 HD13 ILE 86 5.658 -0.481 -3.031 678 H SER 87 H SER 87 1.860 5.156 -1.566 679 HA SER 87 HA SER 87 -0.055 5.507 -3.753 680 HB2 SER 87 HB2 SER 87 0.509 7.287 -1.377 681 HB3 SER 87 HB1 SER 87 -0.820 7.470 -2.519 682 HG SER 87 HG SER 87 -0.611 4.986 -1.340 683 H ILE 88 H ILE 88 0.402 6.655 -5.508 684 HA ILE 88 HA ILE 88 2.914 8.189 -5.559 685 HB ILE 88 HB ILE 88 1.307 7.152 -7.900 686 HG12 ILE 88 HG12 ILE 88 2.186 5.287 -6.569 687 HG13 ILE 88 HG11 ILE 88 3.017 5.404 -8.115 688 HG21 ILE 88 HG21 ILE 88 3.313 7.628 -9.209 689 HG22 ILE 88 HG22 ILE 88 4.110 8.259 -7.768 690 HG23 ILE 88 HG23 ILE 88 2.699 9.085 -8.427 691 HD11 ILE 88 HD11 ILE 88 4.566 4.901 -6.328 692 HD12 ILE 88 HD12 ILE 88 4.067 6.354 -5.461 693 HD13 ILE 88 HD13 ILE 88 4.901 6.493 -7.009 694 H GLN 89 H GLN 89 2.740 10.344 -5.542 695 HA GLN 89 HA GLN 89 0.237 11.604 -6.399 696 HB2 GLN 89 HB2 GLN 89 2.673 12.735 -5.013 697 HB3 GLN 89 HB1 GLN 89 1.277 13.689 -5.487 698 HG2 GLN 89 HG2 GLN 89 -0.133 12.406 -3.988 699 HG3 GLN 89 HG1 GLN 89 1.245 11.397 -3.540 700 HE21 GLN 89 HE21 GLN 89 1.104 11.983 -1.382 701 HE22 GLN 89 HE22 GLN 89 1.576 13.551 -0.814 702 H GLN 90 H GLN 90 0.520 13.724 -7.644 703 HA GLN 90 HA GLN 90 1.909 13.291 -10.068 704 HB2 GLN 90 HB2 GLN 90 0.956 15.942 -8.976 705 HB3 GLN 90 HB1 GLN 90 1.296 15.561 -10.657 706 HG2 GLN 90 HG2 GLN 90 -0.563 13.912 -10.588 707 HG3 GLN 90 HG1 GLN 90 -0.945 14.490 -8.964 708 HE21 GLN 90 HE21 GLN 90 -1.674 16.641 -8.706 709 HE22 GLN 90 HE22 GLN 90 -2.396 17.503 -10.025 710 H TYR 91 H TYR 91 2.848 14.579 -7.044 711 HA TYR 91 HA TYR 91 5.043 16.182 -7.914 712 HB2 TYR 91 HB2 TYR 91 4.400 14.960 -5.223 713 HB3 TYR 91 HB1 TYR 91 5.716 16.091 -5.508 714 HD1 TYR 91 HD1 TYR 91 2.018 15.752 -5.655 715 HD2 TYR 91 HD2 TYR 91 5.337 18.400 -5.448 716 HE1 TYR 91 HE1 TYR 91 0.489 17.625 -5.217 717 HE2 TYR 91 HE2 TYR 91 3.818 20.281 -5.009 718 HH TYR 91 HH TYR 91 1.469 20.876 -5.366 719 H GLY 92 H GLY 92 4.572 12.863 -7.837 720 HA2 GLY 92 HA2 GLY 92 6.070 11.147 -8.264 721 HA3 GLY 92 HA1 GLY 92 7.386 12.311 -8.176 722 H HIS 93 H HIS 93 5.401 12.646 -5.536 723 HA HIS 93 HA HIS 93 7.361 11.507 -3.765 724 HB2 HIS 93 HB2 HIS 93 6.208 13.639 -3.233 725 HB3 HIS 93 HB1 HIS 93 4.676 12.776 -3.138 726 HD1 HIS 93 HD1 HIS 93 7.946 13.171 -1.305 727 HD2 HIS 93 HD2 HIS 93 4.186 11.498 -0.742 728 HE1 HIS 93 HE1 HIS 93 7.847 12.540 1.124 729 HE2 HIS 93 HE2 HIS 93 5.644 11.336 1.391 730 H GLN 94 H GLN 94 7.319 9.543 -2.922 731 HA GLN 94 HA GLN 94 4.926 7.896 -3.361 732 HB2 GLN 94 HB2 GLN 94 7.786 7.016 -2.922 733 HB3 GLN 94 HB1 GLN 94 6.424 5.970 -3.301 734 HG2 GLN 94 HG2 GLN 94 6.195 7.083 -5.475 735 HG3 GLN 94 HG1 GLN 94 7.593 8.087 -5.094 736 HE21 GLN 94 HE21 GLN 94 7.176 6.169 -7.263 737 HE22 GLN 94 HE22 GLN 94 8.452 5.010 -7.122 738 H GLU 95 H GLU 95 3.825 7.214 -1.650 739 HA GLU 95 HA GLU 95 5.175 7.175 0.971 740 HB2 GLU 95 HB2 GLU 95 2.317 7.730 0.224 741 HB3 GLU 95 HB1 GLU 95 2.756 7.224 1.848 742 HG2 GLU 95 HG2 GLU 95 3.839 9.652 0.443 743 HG3 GLU 95 HG1 GLU 95 2.522 9.659 1.613 744 H VAL 96 H VAL 96 5.315 5.268 1.996 745 HA VAL 96 HA VAL 96 3.890 2.995 0.777 746 HB VAL 96 HB VAL 96 6.635 2.902 2.033 747 HG11 VAL 96 HG11 VAL 96 5.390 0.808 2.179 748 HG12 VAL 96 HG12 VAL 96 6.750 0.663 1.068 749 HG13 VAL 96 HG13 VAL 96 5.113 0.844 0.437 750 HG21 VAL 96 HG21 VAL 96 6.760 4.191 -0.003 751 HG22 VAL 96 HG22 VAL 96 5.854 2.960 -0.881 752 HG23 VAL 96 HG23 VAL 96 7.472 2.601 -0.275 753 H THR 97 H THR 97 2.316 2.498 2.172 754 HA THR 97 HA THR 97 2.862 2.491 5.037 755 HB THR 97 HB THR 97 0.279 1.774 3.631 756 HG1 THR 97 HG1 THR 97 -0.181 4.050 4.507 757 HG21 THR 97 HG21 THR 97 -0.723 2.326 5.813 758 HG22 THR 97 HG22 THR 97 0.889 2.592 6.475 759 HG23 THR 97 HG23 THR 97 0.412 0.983 5.931 760 H ARG 98 H ARG 98 3.803 0.737 5.846 761 HA ARG 98 HA ARG 98 3.673 -1.780 4.412 762 HB2 ARG 98 HB2 ARG 98 5.176 -1.093 6.943 763 HB3 ARG 98 HB1 ARG 98 5.386 -2.542 5.969 764 HG2 ARG 98 HG2 ARG 98 6.088 -1.057 4.078 765 HG3 ARG 98 HG1 ARG 98 6.077 0.286 5.221 766 HD2 ARG 98 HD2 ARG 98 7.777 -2.200 5.349 767 HD3 ARG 98 HD1 ARG 98 8.321 -0.559 5.015 768 HE ARG 98 HE ARG 98 7.146 -0.375 7.465 769 HH11 ARG 98 HH11 ARG 98 9.682 -2.372 6.107 770 HH12 ARG 98 HH12 ARG 98 10.508 -2.575 7.621 771 HH21 ARG 98 HH21 ARG 98 8.247 -0.629 9.458 772 HH22 ARG 98 HH22 ARG 98 9.700 -1.579 9.523 773 H PHE 99 H PHE 99 2.505 -3.481 4.950 774 HA PHE 99 HA PHE 99 1.699 -4.006 7.664 775 HB2 PHE 99 HB2 PHE 99 -0.709 -4.106 7.203 776 HB3 PHE 99 HB1 PHE 99 -0.103 -2.480 6.929 777 HD1 PHE 99 HD1 PHE 99 0.328 -1.745 4.549 778 HD2 PHE 99 HD2 PHE 99 -1.838 -5.278 5.521 779 HE1 PHE 99 HE1 PHE 99 -0.660 -1.755 2.300 780 HE2 PHE 99 HE2 PHE 99 -2.828 -5.293 3.268 781 HZ PHE 99 HZ PHE 99 -2.238 -3.531 1.656 782 H ASP 100 H ASP 100 0.109 -6.085 7.469 783 HA ASP 100 HA ASP 100 0.769 -7.709 5.161 784 HB2 ASP 100 HB2 ASP 100 1.643 -9.584 6.442 785 HB3 ASP 100 HB1 ASP 100 2.636 -8.159 6.716 786 H PHE 101 H PHE 101 -0.413 -9.914 5.379 787 HA PHE 101 HA PHE 101 -2.876 -9.696 6.873 788 HB2 PHE 101 HB2 PHE 101 -4.270 -9.794 4.756 789 HB3 PHE 101 HB1 PHE 101 -3.521 -8.248 5.138 790 HD1 PHE 101 HD1 PHE 101 -1.972 -7.240 3.677 791 HD2 PHE 101 HD2 PHE 101 -3.304 -11.214 2.952 792 HE1 PHE 101 HE1 PHE 101 -0.957 -7.169 1.437 793 HE2 PHE 101 HE2 PHE 101 -2.287 -11.149 0.716 794 HZ PHE 101 HZ PHE 101 -1.112 -9.126 -0.043 795 H THR 102 H THR 102 -4.496 -11.429 5.889 796 HA THR 102 HA THR 102 -4.982 -13.636 5.937 797 HB THR 102 HB THR 102 -2.298 -14.118 4.624 798 HG1 THR 102 HG1 THR 102 -3.117 -13.271 2.866 799 HG21 THR 102 HG21 THR 102 -3.458 -16.129 5.435 800 HG22 THR 102 HG22 THR 102 -3.423 -16.079 3.672 801 HG23 THR 102 HG23 THR 102 -4.901 -15.657 4.536 802 H THR 103 H THR 103 -4.868 -13.560 8.205 803 HA THR 103 HA THR 103 -4.178 -14.138 10.292 804 HB THR 103 HB THR 103 -1.813 -15.600 9.108 805 HG1 THR 103 HG1 THR 103 -3.740 -16.267 8.030 806 HG21 THR 103 HG21 THR 103 -2.159 -17.077 11.049 807 HG22 THR 103 HG22 THR 103 -3.500 -16.061 11.574 808 HG23 THR 103 HG23 THR 103 -1.862 -15.412 11.540 809 H THR 104 H THR 104 -3.711 -11.718 9.718 810 HA THR 104 HA THR 104 -1.253 -10.631 9.226 811 HB THR 104 HB THR 104 -3.433 -9.536 11.006 812 HG1 THR 104 HG1 THR 104 -2.938 -8.689 8.372 813 HG21 THR 104 HG21 THR 104 -1.147 -8.100 9.651 814 HG22 THR 104 HG22 THR 104 -1.327 -8.352 11.386 815 HG23 THR 104 HG23 THR 104 -2.475 -7.332 10.520 816 H SER 105 H SER 105 0.557 -10.305 10.248 817 HA SER 105 HA SER 105 0.774 -11.220 13.037 818 HB2 SER 105 HB2 SER 105 3.226 -11.567 12.357 819 HB3 SER 105 HB1 SER 105 2.041 -12.680 11.677 820 HG SER 105 HG SER 105 2.015 -11.052 9.850 821 H THR 106 H THR 106 2.616 -9.129 10.814 822 HA THR 106 HA THR 106 3.548 -7.084 11.024 823 HB THR 106 HB THR 106 1.449 -6.592 13.143 824 HG1 THR 106 HG1 THR 106 1.276 -7.032 10.454 825 HG21 THR 106 HG21 THR 106 2.969 -4.699 11.339 826 HG22 THR 106 HG22 THR 106 3.201 -4.879 13.078 827 HG23 THR 106 HG23 THR 106 1.679 -4.243 12.453 828 H SER 107 H SER 107 5.543 -7.167 11.760 829 HA SER 107 HA SER 107 6.170 -8.172 14.366 830 HB2 SER 107 HB2 SER 107 8.013 -6.949 12.304 831 HB3 SER 107 HB1 SER 107 8.482 -7.968 13.665 832 HG SER 107 HG SER 107 8.147 -8.911 11.408 833 H THR 108 H THR 108 4.816 -6.280 15.301 834 HA THR 108 HA THR 108 6.777 -4.261 16.115 835 HB THR 108 HB THR 108 4.626 -2.775 16.505 836 HG1 THR 108 HG1 THR 108 3.039 -3.136 15.000 837 HG21 THR 108 HG21 THR 108 5.969 -3.139 13.825 838 HG22 THR 108 HG22 THR 108 6.548 -2.135 15.156 839 HG23 THR 108 HG23 THR 108 5.050 -1.718 14.325 840 HA PRO 109 HA PRO 109 3.772 -5.098 19.914 841 HB2 PRO 109 HB2 PRO 109 2.824 -7.802 19.132 842 HB3 PRO 109 HB1 PRO 109 1.965 -6.508 19.974 843 HG2 PRO 109 HG2 PRO 109 1.426 -7.065 17.427 844 HG3 PRO 109 HG1 PRO 109 1.453 -5.390 18.010 845 HD2 PRO 109 HD2 PRO 109 3.504 -6.880 16.428 846 HD3 PRO 109 HD1 PRO 109 2.971 -5.194 16.278 847 H GLY 110 H GLY 110 5.218 -5.581 21.432 848 HA2 GLY 110 HA2 GLY 110 6.115 -7.709 22.556 849 HA3 GLY 110 HA1 GLY 110 6.949 -7.928 21.024 850 H SER 111 H SER 111 8.998 -7.799 21.907 851 HA SER 111 HA SER 111 9.757 -5.583 23.567 852 HB2 SER 111 HB2 SER 111 10.751 -7.886 23.738 853 HB3 SER 111 HB1 SER 111 11.550 -7.599 22.195 854 HG SER 111 HG SER 111 12.069 -5.526 23.759 855 H ARG 112 H ARG 112 11.070 -6.697 20.435 856 HA ARG 112 HA ARG 112 11.957 -5.583 18.663 857 HB2 ARG 112 HB2 ARG 112 9.939 -3.491 19.484 858 HB3 ARG 112 HB1 ARG 112 10.813 -3.494 17.963 859 HG2 ARG 112 HG2 ARG 112 8.945 -5.680 18.852 860 HG3 ARG 112 HG1 ARG 112 8.489 -4.336 17.806 861 HD2 ARG 112 HD2 ARG 112 8.945 -6.089 16.332 862 HD3 ARG 112 HD1 ARG 112 10.400 -5.098 16.294 863 HE ARG 112 HE ARG 112 10.657 -7.140 18.231 864 HH11 ARG 112 HH11 ARG 112 10.668 -6.628 14.772 865 HH12 ARG 112 HH12 ARG 112 11.644 -8.020 14.436 866 HH21 ARG 112 HH21 ARG 112 11.963 -8.972 17.799 867 HH22 ARG 112 HH22 ARG 112 12.374 -9.359 16.159 868 H SER 113 H SER 113 13.758 -5.476 20.459 869 HA SER 113 HA SER 113 14.402 -2.807 21.335 870 HB2 SER 113 HB2 SER 113 15.982 -5.381 21.472 871 HB3 SER 113 HB1 SER 113 16.453 -3.862 22.236 872 HG SER 113 HG SER 113 13.907 -4.514 22.868 873 H HIS 114 H HIS 114 15.299 -1.348 20.071 874 HA HIS 114 HA HIS 114 16.823 -2.222 17.735 875 HB2 HIS 114 HB2 HIS 114 15.646 0.466 18.461 876 HB3 HIS 114 HB1 HIS 114 16.651 0.190 17.044 877 HD1 HIS 114 HD1 HIS 114 15.531 -0.762 14.994 878 HD2 HIS 114 HD2 HIS 114 13.093 -0.858 18.361 879 HE1 HIS 114 HE1 HIS 114 13.251 -1.414 14.162 880 HE2 HIS 114 HE2 HIS 114 11.765 -1.299 16.190 881 H HIS 115 H HIS 115 18.807 -2.702 18.432 882 HA HIS 115 HA HIS 115 20.973 -2.382 19.009 883 HB2 HIS 115 HB2 HIS 115 20.245 0.544 18.801 884 HB3 HIS 115 HB1 HIS 115 21.886 -0.068 18.970 885 HD1 HIS 115 HD1 HIS 115 19.385 0.786 16.480 886 HD2 HIS 115 HD2 HIS 115 22.685 -1.731 16.688 887 HE1 HIS 115 HE1 HIS 115 19.958 0.223 14.096 888 HE2 HIS 115 HE2 HIS 115 21.999 -1.245 14.246 889 H HIS 116 H HIS 116 19.741 -3.226 21.047 890 HA HIS 116 HA HIS 116 19.943 -3.487 23.282 891 HB2 HIS 116 HB2 HIS 116 21.873 -1.203 22.962 892 HB3 HIS 116 HB1 HIS 116 21.470 -1.849 24.546 893 HD1 HIS 116 HD1 HIS 116 23.500 -3.111 25.210 894 HD2 HIS 116 HD2 HIS 116 22.358 -3.929 21.299 895 HE1 HIS 116 HE1 HIS 116 25.050 -4.924 24.419 896 HE2 HIS 116 HE2 HIS 116 24.195 -5.546 22.135 897 H HIS 117 H HIS 117 18.032 -3.193 24.133 898 HA HIS 117 HA HIS 117 17.373 -0.580 25.227 899 HB2 HIS 117 HB2 HIS 117 16.258 -0.581 23.037 900 HB3 HIS 117 HB1 HIS 117 15.478 -2.110 23.427 901 HD1 HIS 117 HD1 HIS 117 13.374 -2.027 24.853 902 HD2 HIS 117 HD2 HIS 117 15.215 1.675 24.430 903 HE1 HIS 117 HE1 HIS 117 11.735 -0.354 25.753 904 HE2 HIS 117 HE2 HIS 117 12.799 1.887 25.336 905 H HIS 118 H HIS 118 16.249 -3.931 24.786 906 HA HIS 118 HA HIS 118 14.992 -3.908 27.405 907 HB2 HIS 118 HB2 HIS 118 13.926 -5.060 25.467 908 HB3 HIS 118 HB1 HIS 118 15.277 -6.186 25.431 909 HD1 HIS 118 HD1 HIS 118 15.347 -8.012 27.253 910 HD2 HIS 118 HD2 HIS 118 12.071 -5.476 27.526 911 HE1 HIS 118 HE1 HIS 118 13.772 -9.120 28.865 912 HE2 HIS 118 HE2 HIS 118 11.708 -7.678 28.835 913 H HIS 119 H HIS 119 16.419 -3.943 29.010 914 HA HIS 119 HA HIS 119 18.883 -5.379 28.935 915 HB2 HIS 119 HB2 HIS 119 17.369 -4.109 31.224 916 HB3 HIS 119 HB1 HIS 119 18.966 -4.831 31.386 917 HD1 HIS 119 HD1 HIS 119 17.204 -1.841 29.984 918 HD2 HIS 119 HD2 HIS 119 21.072 -3.317 30.347 919 HE1 HIS 119 HE1 HIS 119 18.717 0.078 29.399 920 HE2 HIS 119 HE2 HIS 119 21.039 -0.893 29.455 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 7.304 15.941 17.996 2 H2 GLY 1 HT2 GLY 1 8.430 14.974 17.185 3 H3 GLY 1 HT3 GLY 1 8.677 15.380 18.804 4 HA2 GLY 1 HA1 GLY 1 7.909 13.102 18.579 5 HA3 GLY 1 HA2 GLY 1 6.786 14.101 19.489 6 H SER 2 H SER 2 6.625 11.644 17.647 7 HA SER 2 HA SER 2 4.974 10.683 16.433 8 HB2 SER 2 HB2 SER 2 3.360 11.973 17.746 9 HB3 SER 2 HB1 SER 2 3.567 13.353 16.670 10 HG SER 2 HG SER 2 2.177 10.975 16.286 11 H GLN 3 H GLN 3 5.026 10.200 14.345 12 HA GLN 3 HA GLN 3 6.024 12.208 12.472 13 HB2 GLN 3 HB2 GLN 3 5.600 9.235 12.134 14 HB3 GLN 3 HB1 GLN 3 6.256 10.303 10.902 15 HG2 GLN 3 HG2 GLN 3 8.107 10.857 12.479 16 HG3 GLN 3 HG1 GLN 3 7.485 9.602 13.552 17 HE21 GLN 3 HE21 GLN 3 7.624 7.440 12.914 18 HE22 GLN 3 HE22 GLN 3 8.704 6.929 11.663 19 H THR 4 H THR 4 3.128 11.327 13.617 20 HA THR 4 HA THR 4 1.680 11.276 11.104 21 HB THR 4 HB THR 4 0.425 11.463 13.837 22 HG1 THR 4 HG1 THR 4 0.719 9.282 14.095 23 HG21 THR 4 HG21 THR 4 -0.407 10.093 11.273 24 HG22 THR 4 HG22 THR 4 -1.064 11.606 11.898 25 HG23 THR 4 HG23 THR 4 -1.326 10.100 12.779 26 H THR 5 H THR 5 3.246 13.634 12.404 27 HA THR 5 HA THR 5 1.393 15.697 12.898 28 HB THR 5 HB THR 5 3.642 15.982 13.665 29 HG1 THR 5 HG1 THR 5 2.570 17.910 12.969 30 HG21 THR 5 HG21 THR 5 5.544 16.258 12.117 31 HG22 THR 5 HG22 THR 5 4.487 15.831 10.772 32 HG23 THR 5 HG23 THR 5 4.834 14.647 12.031 33 H ALA 6 H ALA 6 2.881 14.485 9.957 34 HA ALA 6 HA ALA 6 0.932 16.052 8.428 35 HB1 ALA 6 HB1 ALA 6 3.839 15.739 7.689 36 HB2 ALA 6 HB2 ALA 6 3.061 17.225 8.231 37 HB3 ALA 6 HB3 ALA 6 2.601 16.500 6.691 38 HA PRO 7 HA PRO 7 0.712 11.568 7.393 39 HB2 PRO 7 HB2 PRO 7 -2.143 12.145 7.082 40 HB3 PRO 7 HB1 PRO 7 -1.351 10.976 8.139 41 HG2 PRO 7 HG2 PRO 7 -2.554 13.191 9.095 42 HG3 PRO 7 HG1 PRO 7 -1.118 12.487 9.860 43 HD2 PRO 7 HD2 PRO 7 -1.324 14.846 8.023 44 HD3 PRO 7 HD1 PRO 7 -0.352 14.648 9.499 45 H ASP 8 H ASP 8 1.791 12.062 5.426 46 HA ASP 8 HA ASP 8 0.177 13.030 3.196 47 HB2 ASP 8 HB2 ASP 8 2.599 13.720 3.590 48 HB3 ASP 8 HB1 ASP 8 3.051 12.084 3.125 49 H ALA 9 H ALA 9 1.076 10.168 4.703 50 HA ALA 9 HA ALA 9 0.663 8.486 2.351 51 HB1 ALA 9 HB1 ALA 9 1.508 6.678 3.699 52 HB2 ALA 9 HB2 ALA 9 1.479 7.692 5.140 53 HB3 ALA 9 HB3 ALA 9 2.601 8.057 3.829 54 HA PRO 10 HA PRO 10 -3.496 7.319 3.494 55 HB2 PRO 10 HB2 PRO 10 -2.711 4.587 2.656 56 HB3 PRO 10 HB1 PRO 10 -4.022 5.611 2.062 57 HG2 PRO 10 HG2 PRO 10 -1.840 5.186 0.591 58 HG3 PRO 10 HG1 PRO 10 -2.639 6.771 0.614 59 HD2 PRO 10 HD2 PRO 10 -0.155 5.887 2.017 60 HD3 PRO 10 HD1 PRO 10 -0.499 7.411 1.218 61 HA PRO 11 HA PRO 11 -2.919 5.467 7.547 62 HB2 PRO 11 HB2 PRO 11 -5.843 5.145 7.468 63 HB3 PRO 11 HB1 PRO 11 -4.845 6.045 8.610 64 HG2 PRO 11 HG2 PRO 11 -6.393 7.277 6.795 65 HG3 PRO 11 HG1 PRO 11 -4.833 7.942 7.308 66 HD2 PRO 11 HD2 PRO 11 -5.539 6.480 4.801 67 HD3 PRO 11 HD1 PRO 11 -4.451 7.862 5.037 68 H ASP 12 H ASP 12 -4.555 3.579 8.607 69 HA ASP 12 HA ASP 12 -3.448 1.214 7.761 70 HB2 ASP 12 HB2 ASP 12 -4.393 1.339 9.935 71 HB3 ASP 12 HB1 ASP 12 -5.981 1.751 9.297 72 HA PRO 13 HA PRO 13 -6.058 0.025 4.264 73 HB2 PRO 13 HB2 PRO 13 -4.074 -2.057 3.873 74 HB3 PRO 13 HB1 PRO 13 -4.478 -0.711 2.806 75 HG2 PRO 13 HG2 PRO 13 -2.105 -0.912 4.130 76 HG3 PRO 13 HG1 PRO 13 -2.840 0.634 3.673 77 HD2 PRO 13 HD2 PRO 13 -2.840 -0.753 6.326 78 HD3 PRO 13 HD1 PRO 13 -2.638 0.972 5.955 79 H THR 14 H THR 14 -7.754 -1.201 4.803 80 HA THR 14 HA THR 14 -7.387 -3.256 6.855 81 HB THR 14 HB THR 14 -10.005 -2.207 5.799 82 HG1 THR 14 HG1 THR 14 -8.183 -1.107 7.671 83 HG21 THR 14 HG21 THR 14 -10.850 -2.915 7.991 84 HG22 THR 14 HG22 THR 14 -9.237 -3.474 8.435 85 HG23 THR 14 HG23 THR 14 -10.114 -4.265 7.126 86 H VAL 15 H VAL 15 -7.736 -5.349 6.481 87 HA VAL 15 HA VAL 15 -8.270 -6.120 3.717 88 HB VAL 15 HB VAL 15 -6.952 -7.568 6.013 89 HG11 VAL 15 HG11 VAL 15 -7.668 -8.677 3.306 90 HG12 VAL 15 HG12 VAL 15 -8.259 -9.234 4.871 91 HG13 VAL 15 HG13 VAL 15 -6.559 -9.442 4.445 92 HG21 VAL 15 HG21 VAL 15 -5.575 -5.942 4.831 93 HG22 VAL 15 HG22 VAL 15 -5.944 -6.733 3.297 94 HG23 VAL 15 HG23 VAL 15 -5.010 -7.586 4.528 95 H ASP 16 H ASP 16 -10.340 -6.516 3.316 96 HA ASP 16 HA ASP 16 -11.926 -7.967 5.331 97 HB2 ASP 16 HB2 ASP 16 -12.750 -5.739 4.352 98 HB3 ASP 16 HB1 ASP 16 -13.000 -6.618 2.848 99 H GLN 17 H GLN 17 -12.266 -10.067 4.984 100 HA GLN 17 HA GLN 17 -11.398 -11.186 2.455 101 HB2 GLN 17 HB2 GLN 17 -11.588 -13.372 3.567 102 HB3 GLN 17 HB1 GLN 17 -10.554 -12.274 4.429 103 HG2 GLN 17 HG2 GLN 17 -13.408 -12.813 5.188 104 HG3 GLN 17 HG1 GLN 17 -12.035 -13.693 5.846 105 HE21 GLN 17 HE21 GLN 17 -13.875 -10.792 5.924 106 HE22 GLN 17 HE22 GLN 17 -13.043 -10.044 7.244 107 H VAL 18 H VAL 18 -12.808 -11.172 0.874 108 HA VAL 18 HA VAL 18 -15.651 -11.505 1.416 109 HB VAL 18 HB VAL 18 -15.948 -10.987 -0.997 110 HG11 VAL 18 HG11 VAL 18 -15.298 -8.632 -0.837 111 HG12 VAL 18 HG12 VAL 18 -14.265 -9.011 0.541 112 HG13 VAL 18 HG13 VAL 18 -16.012 -9.208 0.669 113 HG21 VAL 18 HG21 VAL 18 -14.006 -10.148 -2.267 114 HG22 VAL 18 HG22 VAL 18 -13.858 -11.857 -1.865 115 HG23 VAL 18 HG23 VAL 18 -12.947 -10.655 -0.952 116 H ASP 19 H ASP 19 -13.008 -13.399 0.547 117 HA ASP 19 HA ASP 19 -14.753 -15.668 0.063 118 HB2 ASP 19 HB2 ASP 19 -14.142 -14.614 -2.195 119 HB3 ASP 19 HB1 ASP 19 -12.490 -15.116 -1.858 120 H ASP 20 H ASP 20 -12.808 -17.516 -0.601 121 HA ASP 20 HA ASP 20 -11.487 -17.801 1.951 122 HB2 ASP 20 HB2 ASP 20 -11.416 -19.559 -0.515 123 HB3 ASP 20 HB1 ASP 20 -10.741 -19.982 1.053 124 H THR 21 H THR 21 -10.504 -17.607 -1.446 125 HA THR 21 HA THR 21 -7.734 -17.225 -0.564 126 HB THR 21 HB THR 21 -7.263 -17.800 -3.039 127 HG1 THR 21 HG1 THR 21 -9.134 -17.915 -4.078 128 HG21 THR 21 HG21 THR 21 -8.384 -19.879 -1.154 129 HG22 THR 21 HG22 THR 21 -6.720 -19.294 -1.190 130 HG23 THR 21 HG23 THR 21 -7.364 -20.212 -2.552 131 H SER 22 H SER 22 -10.017 -15.167 -1.027 132 HA SER 22 HA SER 22 -8.254 -13.266 -2.322 133 HB2 SER 22 HB2 SER 22 -10.210 -12.416 -3.728 134 HB3 SER 22 HB1 SER 22 -9.442 -13.914 -4.247 135 HG SER 22 HG SER 22 -11.983 -13.469 -3.233 136 H ILE 23 H ILE 23 -8.459 -11.218 -1.647 137 HA ILE 23 HA ILE 23 -10.517 -10.667 0.400 138 HB ILE 23 HB ILE 23 -8.923 -9.312 1.612 139 HG12 ILE 23 HG12 ILE 23 -6.772 -10.135 -0.332 140 HG13 ILE 23 HG11 ILE 23 -7.710 -8.667 -0.568 141 HG21 ILE 23 HG21 ILE 23 -7.698 -11.981 0.925 142 HG22 ILE 23 HG22 ILE 23 -8.941 -11.695 2.143 143 HG23 ILE 23 HG23 ILE 23 -7.327 -11.014 2.352 144 HD11 ILE 23 HD11 ILE 23 -5.658 -8.087 0.467 145 HD12 ILE 23 HD12 ILE 23 -5.876 -9.308 1.723 146 HD13 ILE 23 HD13 ILE 23 -6.937 -7.900 1.663 147 H VAL 24 H VAL 24 -11.000 -8.359 0.662 148 HA VAL 24 HA VAL 24 -10.217 -6.718 -1.657 149 HB VAL 24 HB VAL 24 -12.651 -6.377 0.118 150 HG11 VAL 24 HG11 VAL 24 -11.763 -4.781 -2.285 151 HG12 VAL 24 HG12 VAL 24 -11.721 -4.232 -0.611 152 HG13 VAL 24 HG13 VAL 24 -13.268 -4.559 -1.392 153 HG21 VAL 24 HG21 VAL 24 -12.904 -8.230 -1.438 154 HG22 VAL 24 HG22 VAL 24 -12.417 -7.191 -2.778 155 HG23 VAL 24 HG23 VAL 24 -13.927 -6.877 -1.921 156 H VAL 25 H VAL 25 -8.494 -5.617 -1.049 157 HA VAL 25 HA VAL 25 -8.213 -4.747 1.715 158 HB VAL 25 HB VAL 25 -6.241 -5.771 0.874 159 HG11 VAL 25 HG11 VAL 25 -6.504 -3.961 -1.506 160 HG12 VAL 25 HG12 VAL 25 -6.576 -5.725 -1.460 161 HG13 VAL 25 HG13 VAL 25 -5.055 -4.894 -1.137 162 HG21 VAL 25 HG21 VAL 25 -5.797 -3.811 2.233 163 HG22 VAL 25 HG22 VAL 25 -5.816 -2.791 0.793 164 HG23 VAL 25 HG23 VAL 25 -4.556 -4.012 0.992 165 H ARG 26 H ARG 26 -8.890 -2.836 2.317 166 HA ARG 26 HA ARG 26 -9.127 -0.714 0.283 167 HB2 ARG 26 HB2 ARG 26 -10.906 -1.257 2.663 168 HB3 ARG 26 HB1 ARG 26 -11.049 0.134 1.598 169 HG2 ARG 26 HG2 ARG 26 -11.489 -1.391 -0.285 170 HG3 ARG 26 HG1 ARG 26 -11.427 -2.750 0.838 171 HD2 ARG 26 HD2 ARG 26 -13.731 -2.040 0.373 172 HD3 ARG 26 HD1 ARG 26 -13.308 -1.854 2.074 173 HE ARG 26 HE ARG 26 -12.791 0.569 0.773 174 HH11 ARG 26 HH11 ARG 26 -15.522 -1.436 1.636 175 HH12 ARG 26 HH12 ARG 26 -16.619 -0.101 1.779 176 HH21 ARG 26 HH21 ARG 26 -14.226 2.330 0.956 177 HH22 ARG 26 HH22 ARG 26 -15.881 2.042 1.381 178 H TRP 27 H TRP 27 -8.004 1.052 0.653 179 HA TRP 27 HA TRP 27 -6.996 1.524 3.373 180 HB2 TRP 27 HB2 TRP 27 -5.202 2.879 2.182 181 HB3 TRP 27 HB1 TRP 27 -5.133 1.136 1.953 182 HD1 TRP 27 HD1 TRP 27 -5.834 4.380 0.066 183 HE1 TRP 27 HE1 TRP 27 -5.829 3.884 -2.457 184 HE3 TRP 27 HE3 TRP 27 -5.560 -0.721 0.237 185 HZ2 TRP 27 HZ2 TRP 27 -5.716 1.629 -4.154 186 HZ3 TRP 27 HZ3 TRP 27 -5.507 -1.973 -1.881 187 HH2 TRP 27 HH2 TRP 27 -5.585 -0.821 -4.030 188 H SER 28 H SER 28 -7.177 3.519 4.277 189 HA SER 28 HA SER 28 -9.257 5.222 3.298 190 HB2 SER 28 HB2 SER 28 -7.296 5.733 5.548 191 HB3 SER 28 HB1 SER 28 -8.861 6.509 5.311 192 HG SER 28 HG SER 28 -9.173 3.839 5.355 193 H ARG 29 H ARG 29 -9.047 7.302 2.442 194 HA ARG 29 HA ARG 29 -6.665 7.816 0.986 195 HB2 ARG 29 HB2 ARG 29 -8.606 8.579 -0.033 196 HB3 ARG 29 HB1 ARG 29 -9.201 9.371 1.419 197 HG2 ARG 29 HG2 ARG 29 -8.506 11.230 0.366 198 HG3 ARG 29 HG1 ARG 29 -6.912 10.750 0.952 199 HD2 ARG 29 HD2 ARG 29 -6.743 11.260 -1.388 200 HD3 ARG 29 HD1 ARG 29 -6.564 9.519 -1.181 201 HE ARG 29 HE ARG 29 -9.264 10.101 -1.671 202 HH11 ARG 29 HH11 ARG 29 -6.183 10.100 -3.335 203 HH12 ARG 29 HH12 ARG 29 -6.887 9.843 -4.901 204 HH21 ARG 29 HH21 ARG 29 -10.186 9.772 -3.731 205 HH22 ARG 29 HH22 ARG 29 -9.161 9.687 -5.126 206 HA PRO 30 HA PRO 30 -4.148 9.791 4.012 207 HB2 PRO 30 HB2 PRO 30 -2.787 11.377 2.167 208 HB3 PRO 30 HB1 PRO 30 -2.352 9.729 2.623 209 HG2 PRO 30 HG2 PRO 30 -3.861 10.701 0.244 210 HG3 PRO 30 HG1 PRO 30 -2.700 9.368 0.371 211 HD2 PRO 30 HD2 PRO 30 -5.354 8.926 0.235 212 HD3 PRO 30 HD1 PRO 30 -4.285 7.912 1.224 213 H1 MET 31 HT1 MET 31 -13.840 23.329 -26.746 214 H2 MET 31 HT2 MET 31 -13.332 22.637 -25.293 215 H3 MET 31 HT3 MET 31 -12.764 24.160 -25.743 216 HA MET 31 HA MET 31 -14.990 25.063 -25.593 217 HB2 MET 31 HB2 MET 31 -15.671 22.323 -24.508 218 HB3 MET 31 HB1 MET 31 -16.742 23.716 -24.493 219 HG2 MET 31 HG2 MET 31 -16.699 23.754 -26.947 220 HG3 MET 31 HG1 MET 31 -15.670 22.325 -26.934 221 HE1 MET 31 HE1 MET 31 -18.753 23.258 -24.667 222 HE2 MET 31 HE2 MET 31 -20.055 22.411 -25.502 223 HE3 MET 31 HE3 MET 31 -19.247 23.772 -26.281 224 H ARG 32 H ARG 32 -14.267 22.620 -23.072 225 HA ARG 32 HA ARG 32 -13.508 24.838 -21.299 226 HB2 ARG 32 HB2 ARG 32 -15.310 22.536 -20.517 227 HB3 ARG 32 HB1 ARG 32 -14.750 23.814 -19.449 228 HG2 ARG 32 HG2 ARG 32 -15.944 25.463 -20.832 229 HG3 ARG 32 HG1 ARG 32 -16.546 24.149 -21.840 230 HD2 ARG 32 HD2 ARG 32 -17.632 23.174 -19.837 231 HD3 ARG 32 HD1 ARG 32 -17.107 24.581 -18.909 232 HE ARG 32 HE ARG 32 -18.514 25.428 -21.201 233 HH11 ARG 32 HH11 ARG 32 -19.071 23.916 -18.095 234 HH12 ARG 32 HH12 ARG 32 -20.705 24.482 -17.975 235 HH21 ARG 32 HH21 ARG 32 -20.661 26.165 -21.051 236 HH22 ARG 32 HH22 ARG 32 -21.618 25.753 -19.663 237 H GLY 33 H GLY 33 -11.345 24.297 -21.571 238 HA2 GLY 33 HA2 GLY 33 -10.528 21.631 -20.639 239 HA3 GLY 33 HA1 GLY 33 -9.525 22.746 -21.559 240 H SER 34 H SER 34 -10.762 21.920 -18.414 241 HA SER 34 HA SER 34 -8.934 23.894 -17.220 242 HB2 SER 34 HB2 SER 34 -11.586 22.956 -16.098 243 HB3 SER 34 HB1 SER 34 -10.516 24.164 -15.383 244 HG SER 34 HG SER 34 -11.052 24.804 -17.945 245 H ASN 35 H ASN 35 -7.317 22.225 -17.210 246 HA ASN 35 HA ASN 35 -7.719 19.858 -15.631 247 HB2 ASN 35 HB2 ASN 35 -6.119 19.731 -17.429 248 HB3 ASN 35 HB1 ASN 35 -5.229 21.110 -16.800 249 HD21 ASN 35 HD21 ASN 35 -3.777 20.826 -15.158 250 HD22 ASN 35 HD22 ASN 35 -3.320 19.269 -14.561 251 H ALA 36 H ALA 36 -7.711 19.786 -13.509 252 HA ALA 36 HA ALA 36 -6.486 22.007 -12.031 253 HB1 ALA 36 HB1 ALA 36 -7.935 21.364 -10.177 254 HB2 ALA 36 HB2 ALA 36 -8.550 20.004 -11.117 255 HB3 ALA 36 HB3 ALA 36 -8.876 21.657 -11.639 256 HA PRO 37 HA PRO 37 -3.547 18.783 -10.812 257 HB2 PRO 37 HB2 PRO 37 -1.449 20.406 -10.447 258 HB3 PRO 37 HB1 PRO 37 -1.987 19.961 -12.071 259 HG2 PRO 37 HG2 PRO 37 -2.424 22.494 -10.557 260 HG3 PRO 37 HG1 PRO 37 -2.102 22.259 -12.283 261 HD2 PRO 37 HD2 PRO 37 -4.609 22.689 -11.151 262 HD3 PRO 37 HD1 PRO 37 -4.311 22.004 -12.760 263 H GLN 38 H GLN 38 -5.443 19.350 -9.053 264 HA GLN 38 HA GLN 38 -4.960 21.010 -6.896 265 HB2 GLN 38 HB2 GLN 38 -6.556 19.551 -5.661 266 HB3 GLN 38 HB1 GLN 38 -7.129 20.057 -7.242 267 HG2 GLN 38 HG2 GLN 38 -6.544 17.884 -8.164 268 HG3 GLN 38 HG1 GLN 38 -5.935 17.375 -6.589 269 HE21 GLN 38 HE21 GLN 38 -7.385 16.941 -4.936 270 HE22 GLN 38 HE22 GLN 38 -9.071 16.702 -5.231 271 HA PRO 39 HA PRO 39 -1.650 19.267 -4.615 272 HB2 PRO 39 HB2 PRO 39 -2.349 20.107 -2.109 273 HB3 PRO 39 HB1 PRO 39 -1.634 21.160 -3.335 274 HG2 PRO 39 HG2 PRO 39 -4.504 20.836 -2.556 275 HG3 PRO 39 HG1 PRO 39 -3.599 22.321 -2.909 276 HD2 PRO 39 HD2 PRO 39 -5.250 21.203 -4.712 277 HD3 PRO 39 HD1 PRO 39 -3.751 22.020 -5.194 278 H SER 40 H SER 40 -1.107 17.707 -3.054 279 HA SER 40 HA SER 40 -1.272 15.663 -2.090 280 HB2 SER 40 HB2 SER 40 -4.006 16.648 -1.238 281 HB3 SER 40 HB1 SER 40 -3.106 15.318 -0.508 282 HG SER 40 HG SER 40 -2.176 16.755 0.687 283 H HIS 41 H HIS 41 -2.006 15.859 -4.826 284 HA HIS 41 HA HIS 41 -4.281 14.090 -5.178 285 HB2 HIS 41 HB2 HIS 41 -4.081 15.915 -6.753 286 HB3 HIS 41 HB1 HIS 41 -2.436 15.441 -7.160 287 HD1 HIS 41 HD1 HIS 41 -5.997 14.188 -7.537 288 HD2 HIS 41 HD2 HIS 41 -2.240 13.675 -9.242 289 HE1 HIS 41 HE1 HIS 41 -6.363 12.765 -9.575 290 HE2 HIS 41 HE2 HIS 41 -4.063 12.339 -10.498 291 H ILE 42 H ILE 42 -3.968 11.989 -4.873 292 HA ILE 42 HA ILE 42 -1.434 10.735 -5.496 293 HB ILE 42 HB ILE 42 -4.047 9.619 -4.470 294 HG12 ILE 42 HG12 ILE 42 -2.566 8.925 -2.547 295 HG13 ILE 42 HG11 ILE 42 -1.272 9.858 -3.284 296 HG21 ILE 42 HG21 ILE 42 -2.973 7.423 -4.355 297 HG22 ILE 42 HG22 ILE 42 -1.551 8.077 -5.170 298 HG23 ILE 42 HG23 ILE 42 -3.095 7.997 -6.019 299 HD11 ILE 42 HD11 ILE 42 -2.285 11.123 -1.520 300 HD12 ILE 42 HD12 ILE 42 -3.882 10.914 -2.234 301 HD13 ILE 42 HD13 ILE 42 -2.664 11.882 -3.066 302 H SER 43 H SER 43 -0.923 9.954 -7.409 303 HA SER 43 HA SER 43 -2.821 10.074 -9.560 304 HB2 SER 43 HB2 SER 43 0.046 9.106 -9.577 305 HB3 SER 43 HB1 SER 43 -0.915 9.571 -10.980 306 HG SER 43 HG SER 43 -0.013 11.449 -10.617 307 H LYS 44 H LYS 44 -0.960 7.540 -7.902 308 HA LYS 44 HA LYS 44 -2.993 5.596 -8.530 309 HB2 LYS 44 HB2 LYS 44 -1.470 4.036 -9.679 310 HB3 LYS 44 HB1 LYS 44 -1.700 5.522 -10.590 311 HG2 LYS 44 HG2 LYS 44 0.455 6.352 -9.737 312 HG3 LYS 44 HG1 LYS 44 0.691 4.817 -8.898 313 HD2 LYS 44 HD2 LYS 44 0.620 3.637 -11.039 314 HD3 LYS 44 HD1 LYS 44 0.381 5.171 -11.877 315 HE2 LYS 44 HE2 LYS 44 2.545 5.957 -11.066 316 HE3 LYS 44 HE1 LYS 44 2.782 4.434 -10.211 317 HZ1 LYS 44 HZ1 LYS 44 2.505 4.730 -13.151 318 HZ2 LYS 44 HZ2 LYS 44 2.757 3.278 -12.325 319 HZ3 LYS 44 HZ3 LYS 44 3.956 4.471 -12.322 320 H TYR 45 H TYR 45 -2.930 3.807 -7.230 321 HA TYR 45 HA TYR 45 -0.891 3.789 -5.101 322 HB2 TYR 45 HB2 TYR 45 -3.548 2.341 -5.198 323 HB3 TYR 45 HB1 TYR 45 -2.449 2.412 -3.832 324 HD1 TYR 45 HD1 TYR 45 -5.189 3.983 -5.528 325 HD2 TYR 45 HD2 TYR 45 -2.105 4.636 -2.671 326 HE1 TYR 45 HE1 TYR 45 -6.421 5.918 -4.647 327 HE2 TYR 45 HE2 TYR 45 -3.328 6.578 -1.786 328 HH TYR 45 HH TYR 45 -6.563 7.193 -2.528 329 H ILE 46 H ILE 46 0.550 2.146 -5.058 330 HA ILE 46 HA ILE 46 0.061 -0.139 -6.845 331 HB ILE 46 HB ILE 46 2.650 0.931 -5.703 332 HG12 ILE 46 HG12 ILE 46 3.239 0.972 -8.189 333 HG13 ILE 46 HG11 ILE 46 1.531 0.697 -8.500 334 HG21 ILE 46 HG21 ILE 46 2.225 -1.588 -7.305 335 HG22 ILE 46 HG22 ILE 46 2.705 -1.499 -5.610 336 HG23 ILE 46 HG23 ILE 46 3.788 -0.900 -6.866 337 HD11 ILE 46 HD11 ILE 46 2.721 3.057 -7.067 338 HD12 ILE 46 HD12 ILE 46 1.001 2.784 -7.337 339 HD13 ILE 46 HD13 ILE 46 2.077 3.039 -8.709 340 H LEU 47 H LEU 47 -0.651 -1.896 -5.913 341 HA LEU 47 HA LEU 47 -0.184 -2.344 -3.057 342 HB2 LEU 47 HB2 LEU 47 -2.468 -2.546 -4.340 343 HB3 LEU 47 HB1 LEU 47 -1.846 -4.102 -4.840 344 HG LEU 47 HG LEU 47 -3.338 -4.378 -2.966 345 HD11 LEU 47 HD11 LEU 47 -0.468 -4.819 -2.198 346 HD12 LEU 47 HD12 LEU 47 -1.551 -5.949 -3.012 347 HD13 LEU 47 HD13 LEU 47 -1.852 -5.493 -1.338 348 HD21 LEU 47 HD21 LEU 47 -3.150 -2.161 -1.994 349 HD22 LEU 47 HD22 LEU 47 -1.515 -2.530 -1.442 350 HD23 LEU 47 HD23 LEU 47 -2.892 -3.413 -0.779 351 H ARG 48 H ARG 48 1.611 -3.441 -2.581 352 HA ARG 48 HA ARG 48 2.473 -5.576 -4.421 353 HB2 ARG 48 HB2 ARG 48 3.982 -3.733 -2.616 354 HB3 ARG 48 HB1 ARG 48 4.661 -5.305 -2.994 355 HG2 ARG 48 HG2 ARG 48 4.595 -4.762 -5.357 356 HG3 ARG 48 HG1 ARG 48 3.893 -3.184 -4.984 357 HD2 ARG 48 HD2 ARG 48 5.887 -2.611 -3.689 358 HD3 ARG 48 HD1 ARG 48 6.583 -4.189 -4.056 359 HE ARG 48 HE ARG 48 5.912 -2.864 -6.448 360 HH11 ARG 48 HH11 ARG 48 8.245 -2.739 -3.839 361 HH12 ARG 48 HH12 ARG 48 9.491 -2.036 -4.821 362 HH21 ARG 48 HH21 ARG 48 7.540 -1.955 -7.743 363 HH22 ARG 48 HH22 ARG 48 9.089 -1.579 -7.047 364 H TRP 49 H TRP 49 2.393 -7.618 -3.734 365 HA TRP 49 HA TRP 49 2.611 -8.153 -0.876 366 HB2 TRP 49 HB2 TRP 49 0.695 -9.595 -0.787 367 HB3 TRP 49 HB1 TRP 49 0.170 -8.043 -1.425 368 HD1 TRP 49 HD1 TRP 49 0.260 -11.703 -2.229 369 HE1 TRP 49 HE1 TRP 49 -0.857 -12.122 -4.506 370 HE3 TRP 49 HE3 TRP 49 -0.117 -6.872 -3.845 371 HZ2 TRP 49 HZ2 TRP 49 -1.773 -10.604 -6.701 372 HZ3 TRP 49 HZ3 TRP 49 -1.132 -6.436 -6.037 373 HH2 TRP 49 HH2 TRP 49 -1.943 -8.263 -7.435 374 H ARG 50 H ARG 50 3.289 -10.263 -0.365 375 HA ARG 50 HA ARG 50 3.899 -12.182 -2.421 376 HB2 ARG 50 HB2 ARG 50 6.267 -12.109 -2.331 377 HB3 ARG 50 HB1 ARG 50 5.778 -10.430 -2.514 378 HG2 ARG 50 HG2 ARG 50 6.142 -10.018 -0.177 379 HG3 ARG 50 HG1 ARG 50 6.465 -11.727 0.112 380 HD2 ARG 50 HD2 ARG 50 8.305 -11.321 -1.741 381 HD3 ARG 50 HD1 ARG 50 8.165 -9.657 -1.169 382 HE ARG 50 HE ARG 50 8.584 -11.791 0.788 383 HH11 ARG 50 HH11 ARG 50 9.862 -9.051 -0.967 384 HH12 ARG 50 HH12 ARG 50 11.207 -8.825 0.104 385 HH21 ARG 50 HH21 ARG 50 10.350 -11.504 2.198 386 HH22 ARG 50 HH22 ARG 50 11.470 -10.211 1.919 387 HA PRO 51 HA PRO 51 3.806 -14.905 1.162 388 HB2 PRO 51 HB2 PRO 51 6.105 -16.361 -0.002 389 HB3 PRO 51 HB1 PRO 51 4.496 -16.957 0.417 390 HG2 PRO 51 HG2 PRO 51 5.234 -16.621 -2.134 391 HG3 PRO 51 HG1 PRO 51 3.577 -16.288 -1.597 392 HD2 PRO 51 HD2 PRO 51 5.803 -14.375 -2.185 393 HD3 PRO 51 HD1 PRO 51 4.070 -14.237 -2.551 394 H LYS 52 H LYS 52 4.707 -14.648 3.132 395 HA LYS 52 HA LYS 52 7.019 -12.949 3.345 396 HB2 LYS 52 HB2 LYS 52 4.985 -12.741 4.764 397 HB3 LYS 52 HB1 LYS 52 5.387 -14.270 5.520 398 HG2 LYS 52 HG2 LYS 52 7.419 -12.108 5.590 399 HG3 LYS 52 HG1 LYS 52 5.996 -11.959 6.620 400 HD2 LYS 52 HD2 LYS 52 6.483 -14.149 7.605 401 HD3 LYS 52 HD1 LYS 52 7.914 -14.289 6.580 402 HE2 LYS 52 HE2 LYS 52 8.846 -12.275 7.629 403 HE3 LYS 52 HE1 LYS 52 7.425 -12.166 8.667 404 HZ1 LYS 52 HZ1 LYS 52 9.295 -13.207 9.797 405 HZ2 LYS 52 HZ2 LYS 52 9.355 -14.424 8.626 406 HZ3 LYS 52 HZ3 LYS 52 8.008 -14.293 9.638 407 H ASN 53 H ASN 53 6.553 -16.312 3.271 408 HA ASN 53 HA ASN 53 8.564 -17.147 5.077 409 HB2 ASN 53 HB2 ASN 53 7.574 -18.613 2.626 410 HB3 ASN 53 HB1 ASN 53 8.441 -19.321 3.980 411 HD21 ASN 53 HD21 ASN 53 5.421 -18.278 2.765 412 HD22 ASN 53 HD22 ASN 53 4.457 -18.760 4.121 413 H SER 54 H SER 54 8.642 -16.020 1.798 414 HA SER 54 HA SER 54 11.555 -16.050 1.902 415 HB2 SER 54 HB2 SER 54 9.971 -17.123 -0.446 416 HB3 SER 54 HB1 SER 54 11.720 -16.906 -0.406 417 HG SER 54 HG SER 54 11.452 -18.315 1.621 418 H VAL 55 H VAL 55 12.148 -14.972 -0.550 419 HA VAL 55 HA VAL 55 10.765 -12.415 -0.428 420 HB VAL 55 HB VAL 55 13.118 -12.147 -0.340 421 HG11 VAL 55 HG11 VAL 55 13.329 -13.834 -2.829 422 HG12 VAL 55 HG12 VAL 55 13.809 -14.318 -1.204 423 HG13 VAL 55 HG13 VAL 55 14.664 -13.013 -2.024 424 HG21 VAL 55 HG21 VAL 55 13.598 -10.854 -2.373 425 HG22 VAL 55 HG22 VAL 55 11.998 -10.515 -1.715 426 HG23 VAL 55 HG23 VAL 55 12.168 -11.553 -3.128 427 H GLY 56 H GLY 56 11.777 -14.790 -2.900 428 HA2 GLY 56 HA2 GLY 56 10.963 -15.229 -4.997 429 HA3 GLY 56 HA1 GLY 56 9.395 -14.828 -4.316 430 H ARG 57 H ARG 57 8.363 -13.349 -5.421 431 HA ARG 57 HA ARG 57 9.813 -10.987 -6.373 432 HB2 ARG 57 HB2 ARG 57 7.838 -12.590 -8.016 433 HB3 ARG 57 HB1 ARG 57 8.448 -11.005 -8.463 434 HG2 ARG 57 HG2 ARG 57 10.092 -13.508 -8.155 435 HG3 ARG 57 HG1 ARG 57 9.591 -12.771 -9.677 436 HD2 ARG 57 HD2 ARG 57 10.840 -10.727 -9.038 437 HD3 ARG 57 HD1 ARG 57 11.414 -11.567 -7.599 438 HE ARG 57 HE ARG 57 12.124 -12.216 -10.378 439 HH11 ARG 57 HH11 ARG 57 12.665 -12.605 -6.936 440 HH12 ARG 57 HH12 ARG 57 14.223 -13.344 -7.143 441 HH21 ARG 57 HH21 ARG 57 14.166 -13.192 -10.647 442 HH22 ARG 57 HH22 ARG 57 15.072 -13.687 -9.253 443 H TRP 58 H TRP 58 8.572 -9.096 -6.391 444 HA TRP 58 HA TRP 58 6.268 -9.171 -4.640 445 HB2 TRP 58 HB2 TRP 58 7.886 -6.959 -5.875 446 HB3 TRP 58 HB1 TRP 58 6.337 -6.623 -5.112 447 HD1 TRP 58 HD1 TRP 58 9.952 -7.191 -4.322 448 HE1 TRP 58 HE1 TRP 58 10.310 -7.058 -1.775 449 HE3 TRP 58 HE3 TRP 58 5.072 -7.296 -2.821 450 HZ2 TRP 58 HZ2 TRP 58 8.720 -7.020 0.559 451 HZ3 TRP 58 HZ3 TRP 58 4.573 -7.209 -0.415 452 HH2 TRP 58 HH2 TRP 58 6.362 -7.074 1.240 453 H LYS 59 H LYS 59 4.306 -9.547 -5.405 454 HA LYS 59 HA LYS 59 3.588 -9.059 -8.142 455 HB2 LYS 59 HB2 LYS 59 1.932 -9.794 -5.721 456 HB3 LYS 59 HB1 LYS 59 1.281 -9.644 -7.348 457 HG2 LYS 59 HG2 LYS 59 2.702 -11.454 -8.111 458 HG3 LYS 59 HG1 LYS 59 3.437 -11.571 -6.512 459 HD2 LYS 59 HD2 LYS 59 1.357 -12.266 -5.539 460 HD3 LYS 59 HD1 LYS 59 0.496 -11.960 -7.049 461 HE2 LYS 59 HE2 LYS 59 1.737 -13.723 -8.146 462 HE3 LYS 59 HE1 LYS 59 2.683 -14.003 -6.684 463 HZ1 LYS 59 HZ1 LYS 59 -0.244 -14.413 -6.982 464 HZ2 LYS 59 HZ2 LYS 59 0.628 -14.638 -5.551 465 HZ3 LYS 59 HZ3 LYS 59 0.930 -15.627 -6.885 466 H GLU 60 H GLU 60 2.660 -7.268 -8.976 467 HA GLU 60 HA GLU 60 2.144 -5.081 -7.079 468 HB2 GLU 60 HB2 GLU 60 3.352 -4.889 -9.843 469 HB3 GLU 60 HB1 GLU 60 3.010 -3.529 -8.782 470 HG2 GLU 60 HG2 GLU 60 4.612 -4.376 -7.166 471 HG3 GLU 60 HG1 GLU 60 4.945 -5.759 -8.201 472 H ALA 61 H ALA 61 0.263 -4.088 -7.212 473 HA ALA 61 HA ALA 61 -1.315 -4.362 -9.686 474 HB1 ALA 61 HB1 ALA 61 -3.341 -4.344 -8.325 475 HB2 ALA 61 HB2 ALA 61 -2.366 -4.254 -6.859 476 HB3 ALA 61 HB3 ALA 61 -2.296 -5.692 -7.876 477 H THR 62 H THR 62 -1.942 -2.492 -10.582 478 HA THR 62 HA THR 62 -1.299 -0.029 -9.127 479 HB THR 62 HB THR 62 -1.805 -0.341 -12.090 480 HG1 THR 62 HG1 THR 62 0.046 -1.434 -11.862 481 HG21 THR 62 HG21 THR 62 -2.068 1.937 -11.252 482 HG22 THR 62 HG22 THR 62 -0.611 1.805 -12.237 483 HG23 THR 62 HG23 THR 62 -0.487 1.848 -10.478 484 H ILE 63 H ILE 63 -2.964 0.874 -8.153 485 HA ILE 63 HA ILE 63 -5.633 0.703 -9.400 486 HB ILE 63 HB ILE 63 -4.930 1.268 -6.508 487 HG12 ILE 63 HG12 ILE 63 -6.302 -0.959 -6.267 488 HG13 ILE 63 HG11 ILE 63 -5.804 -1.220 -7.934 489 HG21 ILE 63 HG21 ILE 63 -7.327 1.120 -6.078 490 HG22 ILE 63 HG22 ILE 63 -7.628 0.891 -7.800 491 HG23 ILE 63 HG23 ILE 63 -6.964 2.417 -7.217 492 HD11 ILE 63 HD11 ILE 63 -3.958 -0.784 -5.596 493 HD12 ILE 63 HD12 ILE 63 -3.468 -1.073 -7.266 494 HD13 ILE 63 HD13 ILE 63 -4.315 -2.330 -6.366 495 HA PRO 64 HA PRO 64 -5.233 5.081 -10.412 496 HB2 PRO 64 HB2 PRO 64 -8.199 4.773 -10.206 497 HB3 PRO 64 HB1 PRO 64 -7.237 5.556 -11.464 498 HG2 PRO 64 HG2 PRO 64 -8.290 3.145 -11.866 499 HG3 PRO 64 HG1 PRO 64 -6.673 3.551 -12.473 500 HD2 PRO 64 HD2 PRO 64 -7.456 1.843 -10.165 501 HD3 PRO 64 HD1 PRO 64 -6.053 1.715 -11.244 502 H GLY 65 H GLY 65 -5.341 6.954 -9.227 503 HA2 GLY 65 HA2 GLY 65 -5.548 6.586 -6.399 504 HA3 GLY 65 HA1 GLY 65 -5.120 8.071 -7.226 505 H HIS 66 H HIS 66 -8.073 6.084 -7.241 506 HA HIS 66 HA HIS 66 -9.552 7.925 -5.660 507 HB2 HIS 66 HB2 HIS 66 -11.185 8.582 -7.471 508 HB3 HIS 66 HB1 HIS 66 -9.608 9.350 -7.568 509 HD1 HIS 66 HD1 HIS 66 -8.448 9.204 -9.758 510 HD2 HIS 66 HD2 HIS 66 -11.486 6.391 -9.406 511 HE1 HIS 66 HE1 HIS 66 -8.615 8.107 -12.012 512 HE2 HIS 66 HE2 HIS 66 -10.589 6.554 -11.827 513 H LEU 67 H LEU 67 -8.977 5.044 -6.002 514 HA LEU 67 HA LEU 67 -11.773 4.118 -6.082 515 HB2 LEU 67 HB2 LEU 67 -9.306 2.503 -6.732 516 HB3 LEU 67 HB1 LEU 67 -10.949 1.895 -6.712 517 HG LEU 67 HG LEU 67 -9.788 3.899 -8.642 518 HD11 LEU 67 HD11 LEU 67 -9.148 1.582 -9.047 519 HD12 LEU 67 HD12 LEU 67 -10.226 2.186 -10.303 520 HD13 LEU 67 HD13 LEU 67 -10.846 1.111 -9.050 521 HD21 LEU 67 HD21 LEU 67 -12.611 2.869 -8.393 522 HD22 LEU 67 HD22 LEU 67 -11.987 3.795 -9.757 523 HD23 LEU 67 HD23 LEU 67 -12.068 4.532 -8.159 524 H ASN 68 H ASN 68 -8.581 3.435 -4.736 525 HA ASN 68 HA ASN 68 -7.845 3.103 -2.630 526 HB2 ASN 68 HB2 ASN 68 -10.624 3.956 -1.799 527 HB3 ASN 68 HB1 ASN 68 -9.231 3.820 -0.732 528 HD21 ASN 68 HD21 ASN 68 -10.897 6.120 -1.364 529 HD22 ASN 68 HD22 ASN 68 -9.829 7.334 -1.970 530 H SER 69 H SER 69 -9.219 0.963 -4.162 531 HA SER 69 HA SER 69 -9.311 -0.975 -2.028 532 HB2 SER 69 HB2 SER 69 -11.562 -1.833 -2.714 533 HB3 SER 69 HB1 SER 69 -11.615 -0.231 -1.976 534 HG SER 69 HG SER 69 -11.824 -0.909 -4.720 535 H TYR 70 H TYR 70 -8.650 -2.956 -2.716 536 HA TYR 70 HA TYR 70 -8.823 -3.590 -5.567 537 HB2 TYR 70 HB2 TYR 70 -6.565 -2.673 -5.240 538 HB3 TYR 70 HB1 TYR 70 -6.276 -3.831 -3.948 539 HD1 TYR 70 HD1 TYR 70 -5.321 -5.897 -4.437 540 HD2 TYR 70 HD2 TYR 70 -7.090 -3.648 -7.584 541 HE1 TYR 70 HE1 TYR 70 -4.471 -7.528 -6.071 542 HE2 TYR 70 HE2 TYR 70 -6.248 -5.273 -9.226 543 HH TYR 70 HH TYR 70 -5.033 -8.305 -8.360 544 H THR 71 H THR 71 -9.105 -5.748 -6.005 545 HA THR 71 HA THR 71 -9.584 -7.468 -3.686 546 HB THR 71 HB THR 71 -10.304 -7.953 -6.585 547 HG1 THR 71 HG1 THR 71 -11.523 -6.494 -4.548 548 HG21 THR 71 HG21 THR 71 -10.195 -9.993 -5.226 549 HG22 THR 71 HG22 THR 71 -11.859 -9.613 -5.665 550 HG23 THR 71 HG23 THR 71 -11.276 -9.262 -4.039 551 H ILE 72 H ILE 72 -7.684 -8.364 -3.080 552 HA ILE 72 HA ILE 72 -5.760 -9.290 -5.034 553 HB ILE 72 HB ILE 72 -5.733 -9.701 -2.039 554 HG12 ILE 72 HG12 ILE 72 -4.407 -7.560 -3.717 555 HG13 ILE 72 HG11 ILE 72 -5.731 -7.310 -2.585 556 HG21 ILE 72 HG21 ILE 72 -3.343 -10.121 -2.358 557 HG22 ILE 72 HG22 ILE 72 -3.541 -9.930 -4.100 558 HG23 ILE 72 HG23 ILE 72 -4.328 -11.270 -3.265 559 HD11 ILE 72 HD11 ILE 72 -2.880 -8.014 -1.999 560 HD12 ILE 72 HD12 ILE 72 -4.161 -8.203 -0.803 561 HD13 ILE 72 HD13 ILE 72 -3.802 -6.605 -1.462 562 H LYS 73 H LYS 73 -6.003 -11.172 -6.020 563 HA LYS 73 HA LYS 73 -7.424 -13.322 -4.614 564 HB2 LYS 73 HB2 LYS 73 -6.945 -12.894 -7.566 565 HB3 LYS 73 HB1 LYS 73 -7.739 -14.305 -6.881 566 HG2 LYS 73 HG2 LYS 73 -9.535 -12.929 -6.030 567 HG3 LYS 73 HG1 LYS 73 -8.717 -11.472 -6.595 568 HD2 LYS 73 HD2 LYS 73 -8.926 -12.230 -8.897 569 HD3 LYS 73 HD1 LYS 73 -9.693 -13.719 -8.351 570 HE2 LYS 73 HE2 LYS 73 -10.801 -10.969 -7.821 571 HE3 LYS 73 HE1 LYS 73 -11.272 -11.967 -9.194 572 HZ1 LYS 73 HZ1 LYS 73 -11.632 -12.635 -6.324 573 HZ2 LYS 73 HZ2 LYS 73 -11.988 -13.680 -7.602 574 HZ3 LYS 73 HZ3 LYS 73 -12.849 -12.235 -7.426 575 H GLY 74 H GLY 74 -6.369 -15.106 -4.052 576 HA2 GLY 74 HA2 GLY 74 -4.734 -16.826 -4.703 577 HA3 GLY 74 HA1 GLY 74 -3.666 -15.512 -5.174 578 H LEU 75 H LEU 75 -5.565 -15.224 -2.286 579 HA LEU 75 HA LEU 75 -3.103 -15.501 -0.706 580 HB2 LEU 75 HB2 LEU 75 -5.701 -14.122 -0.021 581 HB3 LEU 75 HB1 LEU 75 -4.315 -14.237 1.045 582 HG LEU 75 HG LEU 75 -4.491 -12.704 -1.549 583 HD11 LEU 75 HD11 LEU 75 -4.027 -11.815 1.292 584 HD12 LEU 75 HD12 LEU 75 -5.532 -11.644 0.390 585 HD13 LEU 75 HD13 LEU 75 -4.089 -10.775 -0.132 586 HD21 LEU 75 HD21 LEU 75 -2.179 -11.992 -1.076 587 HD22 LEU 75 HD22 LEU 75 -2.294 -13.718 -1.416 588 HD23 LEU 75 HD23 LEU 75 -2.107 -13.157 0.246 589 H LYS 76 H LYS 76 -2.877 -17.214 0.555 590 HA LYS 76 HA LYS 76 -5.187 -18.963 0.956 591 HB2 LYS 76 HB2 LYS 76 -2.230 -19.514 1.298 592 HB3 LYS 76 HB1 LYS 76 -3.521 -20.698 1.468 593 HG2 LYS 76 HG2 LYS 76 -4.078 -20.488 -0.871 594 HG3 LYS 76 HG1 LYS 76 -2.888 -19.201 -1.067 595 HD2 LYS 76 HD2 LYS 76 -1.978 -21.283 -1.895 596 HD3 LYS 76 HD1 LYS 76 -1.108 -20.793 -0.442 597 HE2 LYS 76 HE2 LYS 76 -1.562 -23.177 -0.398 598 HE3 LYS 76 HE1 LYS 76 -2.451 -22.358 0.882 599 HZ1 LYS 76 HZ1 LYS 76 -3.584 -23.195 -1.732 600 HZ2 LYS 76 HZ2 LYS 76 -4.434 -22.443 -0.481 601 HZ3 LYS 76 HZ3 LYS 76 -3.813 -23.999 -0.261 602 HA PRO 77 HA PRO 77 -5.335 -17.604 5.254 603 HB2 PRO 77 HB2 PRO 77 -7.020 -20.043 5.450 604 HB3 PRO 77 HB1 PRO 77 -7.373 -18.387 5.957 605 HG2 PRO 77 HG2 PRO 77 -8.521 -19.411 3.785 606 HG3 PRO 77 HG1 PRO 77 -7.986 -17.721 3.824 607 HD2 PRO 77 HD2 PRO 77 -6.690 -20.088 2.530 608 HD3 PRO 77 HD1 PRO 77 -6.843 -18.422 1.937 609 H GLY 78 H GLY 78 -3.680 -18.036 6.546 610 HA2 GLY 78 HA2 GLY 78 -2.713 -19.593 8.161 611 HA3 GLY 78 HA1 GLY 78 -2.916 -20.864 6.960 612 H VAL 79 H VAL 79 -2.072 -18.734 4.929 613 HA VAL 79 HA VAL 79 0.805 -19.190 5.232 614 HB VAL 79 HB VAL 79 -0.762 -18.282 2.806 615 HG11 VAL 79 HG11 VAL 79 2.121 -19.110 3.079 616 HG12 VAL 79 HG12 VAL 79 1.529 -17.482 2.739 617 HG13 VAL 79 HG13 VAL 79 1.287 -18.775 1.562 618 HG21 VAL 79 HG21 VAL 79 -1.292 -20.577 3.406 619 HG22 VAL 79 HG22 VAL 79 0.427 -20.969 3.472 620 HG23 VAL 79 HG23 VAL 79 -0.317 -20.526 1.936 621 H VAL 80 H VAL 80 2.111 -17.568 5.760 622 HA VAL 80 HA VAL 80 1.002 -14.980 6.292 623 HB VAL 80 HB VAL 80 2.611 -15.937 7.833 624 HG11 VAL 80 HG11 VAL 80 4.483 -15.908 5.488 625 HG12 VAL 80 HG12 VAL 80 3.999 -17.276 6.486 626 HG13 VAL 80 HG13 VAL 80 5.039 -16.020 7.156 627 HG21 VAL 80 HG21 VAL 80 3.709 -13.495 6.453 628 HG22 VAL 80 HG22 VAL 80 4.122 -14.032 8.081 629 HG23 VAL 80 HG23 VAL 80 2.476 -13.519 7.714 630 H TYR 81 H TYR 81 1.063 -13.219 5.083 631 HA TYR 81 HA TYR 81 2.848 -13.154 2.740 632 HB2 TYR 81 HB2 TYR 81 -0.043 -12.340 2.974 633 HB3 TYR 81 HB1 TYR 81 0.994 -11.703 1.704 634 HD1 TYR 81 HD1 TYR 81 -0.829 -14.618 2.919 635 HD2 TYR 81 HD2 TYR 81 1.824 -13.168 -0.070 636 HE1 TYR 81 HE1 TYR 81 -1.321 -16.584 1.534 637 HE2 TYR 81 HE2 TYR 81 1.333 -15.128 -1.468 638 HH TYR 81 HH TYR 81 -1.219 -17.049 -1.112 639 H GLU 82 H GLU 82 3.745 -11.213 2.192 640 HA GLU 82 HA GLU 82 3.599 -9.065 4.198 641 HB2 GLU 82 HB2 GLU 82 5.650 -9.878 2.148 642 HB3 GLU 82 HB1 GLU 82 5.636 -8.243 2.787 643 HG2 GLU 82 HG2 GLU 82 5.755 -10.644 4.572 644 HG3 GLU 82 HG1 GLU 82 7.200 -9.911 3.878 645 H GLY 83 H GLY 83 2.695 -7.143 3.663 646 HA2 GLY 83 HA2 GLY 83 2.150 -6.646 0.812 647 HA3 GLY 83 HA1 GLY 83 0.856 -6.525 1.995 648 H GLN 84 H GLN 84 2.095 -4.534 0.170 649 HA GLN 84 HA GLN 84 2.246 -2.433 2.159 650 HB2 GLN 84 HB2 GLN 84 4.279 -1.448 0.999 651 HB3 GLN 84 HB1 GLN 84 4.559 -2.844 2.030 652 HG2 GLN 84 HG2 GLN 84 4.688 -4.286 0.099 653 HG3 GLN 84 HG1 GLN 84 4.295 -2.934 -0.959 654 HE21 GLN 84 HE21 GLN 84 6.723 -4.346 1.100 655 HE22 GLN 84 HE22 GLN 84 8.052 -3.424 0.488 656 H LEU 85 H LEU 85 1.412 -0.567 1.496 657 HA LEU 85 HA LEU 85 0.396 -0.452 -1.257 658 HB2 LEU 85 HB2 LEU 85 -1.198 -0.429 0.700 659 HB3 LEU 85 HB1 LEU 85 -0.505 1.105 1.174 660 HG LEU 85 HG LEU 85 -2.734 1.137 -0.066 661 HD11 LEU 85 HD11 LEU 85 -2.172 3.163 -1.295 662 HD12 LEU 85 HD12 LEU 85 -0.457 2.780 -1.155 663 HD13 LEU 85 HD13 LEU 85 -1.402 3.139 0.290 664 HD21 LEU 85 HD21 LEU 85 -0.958 0.710 -2.463 665 HD22 LEU 85 HD22 LEU 85 -2.700 0.992 -2.458 666 HD23 LEU 85 HD23 LEU 85 -2.047 -0.504 -1.796 667 H ILE 86 H ILE 86 1.756 0.667 -2.518 668 HA ILE 86 HA ILE 86 3.202 2.960 -1.386 669 HB ILE 86 HB ILE 86 3.643 1.688 -4.096 670 HG12 ILE 86 HG12 ILE 86 5.812 0.871 -2.871 671 HG13 ILE 86 HG11 ILE 86 4.840 1.050 -1.417 672 HG21 ILE 86 HG21 ILE 86 5.776 2.879 -4.034 673 HG22 ILE 86 HG22 ILE 86 5.346 3.569 -2.468 674 HG23 ILE 86 HG23 ILE 86 4.411 3.990 -3.905 675 HD11 ILE 86 HD11 ILE 86 4.827 -1.238 -2.247 676 HD12 ILE 86 HD12 ILE 86 4.154 -0.682 -3.780 677 HD13 ILE 86 HD13 ILE 86 3.215 -0.527 -2.295 678 H SER 87 H SER 87 2.324 4.898 -1.679 679 HA SER 87 HA SER 87 0.436 5.280 -3.882 680 HB2 SER 87 HB2 SER 87 1.059 7.104 -1.552 681 HB3 SER 87 HB1 SER 87 -0.286 7.264 -2.683 682 HG SER 87 HG SER 87 0.089 4.930 -1.140 683 H ILE 88 H ILE 88 1.113 6.160 -5.703 684 HA ILE 88 HA ILE 88 3.468 7.913 -5.681 685 HB ILE 88 HB ILE 88 1.965 6.781 -8.052 686 HG12 ILE 88 HG12 ILE 88 3.048 5.006 -6.749 687 HG13 ILE 88 HG11 ILE 88 3.853 5.233 -8.297 688 HG21 ILE 88 HG21 ILE 88 3.904 7.486 -9.359 689 HG22 ILE 88 HG22 ILE 88 4.635 8.176 -7.910 690 HG23 ILE 88 HG23 ILE 88 3.141 8.859 -8.555 691 HD11 ILE 88 HD11 ILE 88 5.469 4.882 -6.542 692 HD12 ILE 88 HD12 ILE 88 4.805 6.235 -5.627 693 HD13 ILE 88 HD13 ILE 88 5.606 6.525 -7.171 694 H GLN 89 H GLN 89 3.045 10.001 -5.430 695 HA GLN 89 HA GLN 89 0.393 10.996 -6.105 696 HB2 GLN 89 HB2 GLN 89 2.634 12.113 -4.442 697 HB3 GLN 89 HB1 GLN 89 1.207 13.053 -4.856 698 HG2 GLN 89 HG2 GLN 89 -0.214 11.498 -3.712 699 HG3 GLN 89 HG1 GLN 89 1.146 10.418 -3.410 700 HE21 GLN 89 HE21 GLN 89 2.608 10.914 -1.820 701 HE22 GLN 89 HE22 GLN 89 2.319 12.138 -0.627 702 H GLN 90 H GLN 90 0.302 13.301 -6.902 703 HA GLN 90 HA GLN 90 1.302 13.531 -9.467 704 HB2 GLN 90 HB2 GLN 90 -0.586 14.830 -8.479 705 HB3 GLN 90 HB1 GLN 90 0.585 15.807 -7.607 706 HG2 GLN 90 HG2 GLN 90 1.507 16.599 -9.721 707 HG3 GLN 90 HG1 GLN 90 0.344 15.607 -10.602 708 HE21 GLN 90 HE21 GLN 90 0.814 18.468 -8.698 709 HE22 GLN 90 HE22 GLN 90 -0.744 19.161 -8.988 710 H TYR 91 H TYR 91 2.654 14.712 -6.441 711 HA TYR 91 HA TYR 91 4.749 16.242 -7.618 712 HB2 TYR 91 HB2 TYR 91 4.617 15.120 -4.814 713 HB3 TYR 91 HB1 TYR 91 5.583 16.484 -5.365 714 HD1 TYR 91 HD1 TYR 91 2.247 15.356 -4.398 715 HD2 TYR 91 HD2 TYR 91 4.547 18.647 -5.802 716 HE1 TYR 91 HE1 TYR 91 0.408 16.880 -3.819 717 HE2 TYR 91 HE2 TYR 91 2.715 20.179 -5.226 718 HH TYR 91 HH TYR 91 0.334 20.136 -4.868 719 H GLY 92 H GLY 92 4.311 12.905 -7.050 720 HA2 GLY 92 HA2 GLY 92 5.781 11.227 -7.812 721 HA3 GLY 92 HA1 GLY 92 7.098 12.391 -7.761 722 H HIS 93 H HIS 93 5.531 12.853 -4.956 723 HA HIS 93 HA HIS 93 7.527 11.566 -3.398 724 HB2 HIS 93 HB2 HIS 93 6.303 13.678 -2.748 725 HB3 HIS 93 HB1 HIS 93 4.895 12.679 -2.402 726 HD1 HIS 93 HD1 HIS 93 4.701 12.468 0.078 727 HD2 HIS 93 HD2 HIS 93 8.659 12.279 -1.207 728 HE1 HIS 93 HE1 HIS 93 6.074 12.075 2.144 729 HE2 HIS 93 HE2 HIS 93 8.469 12.147 1.363 730 H GLN 94 H GLN 94 7.604 9.525 -2.792 731 HA GLN 94 HA GLN 94 5.269 7.836 -3.215 732 HB2 GLN 94 HB2 GLN 94 8.101 7.067 -2.493 733 HB3 GLN 94 HB1 GLN 94 6.821 5.975 -3.003 734 HG2 GLN 94 HG2 GLN 94 6.779 7.014 -5.193 735 HG3 GLN 94 HG1 GLN 94 8.015 8.163 -4.688 736 HE21 GLN 94 HE21 GLN 94 7.348 4.883 -5.588 737 HE22 GLN 94 HE22 GLN 94 8.992 4.385 -5.782 738 H GLU 95 H GLU 95 3.977 7.344 -1.600 739 HA GLU 95 HA GLU 95 5.081 7.269 1.129 740 HB2 GLU 95 HB2 GLU 95 2.351 8.044 0.122 741 HB3 GLU 95 HB1 GLU 95 2.626 7.598 1.800 742 HG2 GLU 95 HG2 GLU 95 4.031 9.837 0.359 743 HG3 GLU 95 HG1 GLU 95 2.642 10.031 1.427 744 H VAL 96 H VAL 96 5.141 5.330 2.054 745 HA VAL 96 HA VAL 96 3.600 3.171 0.771 746 HB VAL 96 HB VAL 96 6.243 2.922 2.212 747 HG11 VAL 96 HG11 VAL 96 4.944 0.895 2.357 748 HG12 VAL 96 HG12 VAL 96 6.272 0.659 1.221 749 HG13 VAL 96 HG13 VAL 96 4.636 0.929 0.622 750 HG21 VAL 96 HG21 VAL 96 5.645 2.939 -0.746 751 HG22 VAL 96 HG22 VAL 96 7.199 2.514 -0.029 752 HG23 VAL 96 HG23 VAL 96 6.562 4.148 0.153 753 H THR 97 H THR 97 2.084 2.295 1.979 754 HA THR 97 HA THR 97 2.399 2.318 4.909 755 HB THR 97 HB THR 97 -0.171 1.861 3.383 756 HG1 THR 97 HG1 THR 97 -0.435 4.188 4.278 757 HG21 THR 97 HG21 THR 97 0.396 2.648 6.245 758 HG22 THR 97 HG22 THR 97 -0.169 1.071 5.696 759 HG23 THR 97 HG23 THR 97 -1.206 2.488 5.527 760 H ARG 98 H ARG 98 3.203 0.428 5.598 761 HA ARG 98 HA ARG 98 2.831 -1.967 3.999 762 HB2 ARG 98 HB2 ARG 98 4.483 -1.476 6.480 763 HB3 ARG 98 HB1 ARG 98 4.454 -2.984 5.577 764 HG2 ARG 98 HG2 ARG 98 5.292 -1.769 3.595 765 HG3 ARG 98 HG1 ARG 98 5.413 -0.311 4.580 766 HD2 ARG 98 HD2 ARG 98 6.850 -2.908 5.106 767 HD3 ARG 98 HD1 ARG 98 7.567 -1.476 4.371 768 HE ARG 98 HE ARG 98 6.997 -0.341 6.549 769 HH11 ARG 98 HH11 ARG 98 7.582 -3.794 6.391 770 HH12 ARG 98 HH12 ARG 98 8.177 -3.893 8.016 771 HH21 ARG 98 HH21 ARG 98 7.775 -0.473 8.683 772 HH22 ARG 98 HH22 ARG 98 8.282 -2.005 9.321 773 H PHE 99 H PHE 99 2.021 -3.918 4.761 774 HA PHE 99 HA PHE 99 0.764 -4.036 7.370 775 HB2 PHE 99 HB2 PHE 99 -1.425 -4.757 6.435 776 HB3 PHE 99 HB1 PHE 99 -1.047 -3.079 6.076 777 HD1 PHE 99 HD1 PHE 99 -0.510 -2.385 3.801 778 HD2 PHE 99 HD2 PHE 99 -1.592 -6.403 4.695 779 HE1 PHE 99 HE1 PHE 99 -0.934 -2.796 1.414 780 HE2 PHE 99 HE2 PHE 99 -2.013 -6.824 2.307 781 HZ PHE 99 HZ PHE 99 -1.685 -5.018 0.664 782 H ASP 100 H ASP 100 -0.398 -6.339 7.475 783 HA ASP 100 HA ASP 100 1.172 -8.297 5.980 784 HB2 ASP 100 HB2 ASP 100 1.822 -9.523 7.969 785 HB3 ASP 100 HB1 ASP 100 2.411 -7.871 8.090 786 H PHE 101 H PHE 101 0.162 -10.234 5.662 787 HA PHE 101 HA PHE 101 -2.496 -10.560 6.865 788 HB2 PHE 101 HB2 PHE 101 -2.934 -9.783 4.633 789 HB3 PHE 101 HB1 PHE 101 -1.743 -10.887 3.952 790 HD1 PHE 101 HD1 PHE 101 -5.077 -10.654 5.507 791 HD2 PHE 101 HD2 PHE 101 -2.309 -13.137 3.434 792 HE1 PHE 101 HE1 PHE 101 -6.850 -12.322 5.138 793 HE2 PHE 101 HE2 PHE 101 -4.076 -14.807 3.064 794 HZ PHE 101 HZ PHE 101 -6.352 -14.399 3.916 795 H THR 102 H THR 102 -3.069 -12.637 7.386 796 HA THR 102 HA THR 102 -1.473 -14.868 6.456 797 HB THR 102 HB THR 102 -1.760 -14.380 9.431 798 HG1 THR 102 HG1 THR 102 0.093 -13.509 7.632 799 HG21 THR 102 HG21 THR 102 -0.220 -16.286 9.630 800 HG22 THR 102 HG22 THR 102 -0.249 -16.487 7.879 801 HG23 THR 102 HG23 THR 102 -1.717 -16.747 8.821 802 H THR 103 H THR 103 -4.175 -13.668 8.411 803 HA THR 103 HA THR 103 -5.959 -15.551 7.251 804 HB THR 103 HB THR 103 -4.785 -17.047 8.849 805 HG1 THR 103 HG1 THR 103 -7.343 -16.821 9.948 806 HG21 THR 103 HG21 THR 103 -4.269 -15.454 10.610 807 HG22 THR 103 HG22 THR 103 -5.217 -16.790 11.259 808 HG23 THR 103 HG23 THR 103 -5.987 -15.236 10.944 809 H THR 104 H THR 104 -5.268 -13.055 9.592 810 HA THR 104 HA THR 104 -6.541 -11.490 10.630 811 HB THR 104 HB THR 104 -8.569 -11.923 8.424 812 HG1 THR 104 HG1 THR 104 -6.966 -9.906 7.834 813 HG21 THR 104 HG21 THR 104 -8.972 -9.511 8.746 814 HG22 THR 104 HG22 THR 104 -7.799 -9.500 10.061 815 HG23 THR 104 HG23 THR 104 -9.289 -10.431 10.217 816 H SER 105 H SER 105 -6.748 -13.312 12.209 817 HA SER 105 HA SER 105 -9.330 -14.610 12.341 818 HB2 SER 105 HB2 SER 105 -8.234 -15.483 14.545 819 HB3 SER 105 HB1 SER 105 -7.626 -16.054 12.992 820 HG SER 105 HG SER 105 -6.512 -13.794 14.282 821 H THR 106 H THR 106 -10.994 -13.458 13.052 822 HA THR 106 HA THR 106 -10.573 -11.313 14.979 823 HB THR 106 HB THR 106 -13.036 -10.857 14.430 824 HG1 THR 106 HG1 THR 106 -13.582 -11.808 12.314 825 HG21 THR 106 HG21 THR 106 -10.964 -10.711 12.234 826 HG22 THR 106 HG22 THR 106 -11.208 -9.521 13.513 827 HG23 THR 106 HG23 THR 106 -12.457 -9.777 12.295 828 H SER 107 H SER 107 -10.647 -14.275 15.623 829 HA SER 107 HA SER 107 -11.064 -15.425 17.524 830 HB2 SER 107 HB2 SER 107 -10.990 -13.196 18.668 831 HB3 SER 107 HB1 SER 107 -12.740 -13.095 18.474 832 HG SER 107 HG SER 107 -11.216 -14.856 20.063 833 H THR 108 H THR 108 -13.990 -13.724 16.386 834 HA THR 108 HA THR 108 -15.857 -15.570 17.329 835 HB THR 108 HB THR 108 -16.255 -14.036 14.772 836 HG1 THR 108 HG1 THR 108 -16.348 -13.039 17.451 837 HG21 THR 108 HG21 THR 108 -18.063 -15.520 15.495 838 HG22 THR 108 HG22 THR 108 -18.544 -13.828 15.625 839 HG23 THR 108 HG23 THR 108 -18.088 -14.729 17.071 840 HA PRO 109 HA PRO 109 -15.681 -17.831 13.015 841 HB2 PRO 109 HB2 PRO 109 -13.421 -17.447 11.535 842 HB3 PRO 109 HB1 PRO 109 -14.900 -16.504 11.310 843 HG2 PRO 109 HG2 PRO 109 -12.426 -15.805 12.846 844 HG3 PRO 109 HG1 PRO 109 -13.369 -14.799 11.730 845 HD2 PRO 109 HD2 PRO 109 -13.633 -14.558 14.388 846 HD3 PRO 109 HD1 PRO 109 -15.025 -14.390 13.299 847 H GLY 110 H GLY 110 -13.232 -17.358 15.301 848 HA2 GLY 110 HA2 GLY 110 -11.446 -19.464 14.672 849 HA3 GLY 110 HA1 GLY 110 -11.616 -18.683 16.237 850 H SER 111 H SER 111 -14.579 -19.463 16.080 851 HA SER 111 HA SER 111 -14.300 -22.047 17.336 852 HB2 SER 111 HB2 SER 111 -16.806 -20.475 16.678 853 HB3 SER 111 HB1 SER 111 -16.690 -21.841 17.788 854 HG SER 111 HG SER 111 -14.945 -20.308 18.756 855 H ARG 112 H ARG 112 -13.501 -22.005 14.629 856 HA ARG 112 HA ARG 112 -13.786 -22.920 12.574 857 HB2 ARG 112 HB2 ARG 112 -13.775 -24.952 14.074 858 HB3 ARG 112 HB1 ARG 112 -15.533 -24.929 14.007 859 HG2 ARG 112 HG2 ARG 112 -15.443 -25.205 11.581 860 HG3 ARG 112 HG1 ARG 112 -13.681 -25.233 11.652 861 HD2 ARG 112 HD2 ARG 112 -13.779 -27.243 13.049 862 HD3 ARG 112 HD1 ARG 112 -15.543 -27.214 12.958 863 HE ARG 112 HE ARG 112 -14.609 -27.189 10.354 864 HH11 ARG 112 HH11 ARG 112 -14.505 -29.368 13.093 865 HH12 ARG 112 HH12 ARG 112 -14.378 -30.790 12.107 866 HH21 ARG 112 HH21 ARG 112 -14.434 -29.040 9.071 867 HH22 ARG 112 HH22 ARG 112 -14.328 -30.604 9.818 868 H SER 113 H SER 113 -15.262 -20.790 12.703 869 HA SER 113 HA SER 113 -17.849 -21.575 11.544 870 HB2 SER 113 HB2 SER 113 -18.075 -20.630 13.866 871 HB3 SER 113 HB1 SER 113 -17.394 -19.121 13.259 872 HG SER 113 HG SER 113 -19.295 -18.634 12.551 873 H HIS 114 H HIS 114 -16.887 -21.417 9.484 874 HA HIS 114 HA HIS 114 -16.352 -18.645 8.648 875 HB2 HIS 114 HB2 HIS 114 -15.142 -21.211 7.609 876 HB3 HIS 114 HB1 HIS 114 -14.985 -19.663 6.787 877 HD1 HIS 114 HD1 HIS 114 -13.210 -18.073 7.631 878 HD2 HIS 114 HD2 HIS 114 -13.799 -21.338 10.140 879 HE1 HIS 114 HE1 HIS 114 -11.361 -17.964 9.332 880 HE2 HIS 114 HE2 HIS 114 -11.652 -20.034 10.742 881 H HIS 115 H HIS 115 -18.615 -18.400 8.287 882 HA HIS 115 HA HIS 115 -19.842 -19.974 6.184 883 HB2 HIS 115 HB2 HIS 115 -20.805 -17.689 7.895 884 HB3 HIS 115 HB1 HIS 115 -21.733 -18.257 6.514 885 HD1 HIS 115 HD1 HIS 115 -23.567 -19.696 7.280 886 HD2 HIS 115 HD2 HIS 115 -20.143 -20.227 9.578 887 HE1 HIS 115 HE1 HIS 115 -24.149 -21.473 8.961 888 HE2 HIS 115 HE2 HIS 115 -22.097 -21.707 10.407 889 H HIS 116 H HIS 116 -19.549 -19.546 4.123 890 HA HIS 116 HA HIS 116 -18.710 -16.833 3.355 891 HB2 HIS 116 HB2 HIS 116 -18.216 -19.495 2.003 892 HB3 HIS 116 HB1 HIS 116 -17.787 -17.939 1.301 893 HD1 HIS 116 HD1 HIS 116 -16.547 -20.546 3.537 894 HD2 HIS 116 HD2 HIS 116 -15.750 -16.528 2.829 895 HE1 HIS 116 HE1 HIS 116 -14.307 -20.109 4.590 896 HE2 HIS 116 HE2 HIS 116 -13.913 -17.640 4.275 897 H HIS 117 H HIS 117 -21.267 -16.835 3.709 898 HA HIS 117 HA HIS 117 -22.782 -17.721 1.435 899 HB2 HIS 117 HB2 HIS 117 -23.767 -17.518 3.717 900 HB3 HIS 117 HB1 HIS 117 -23.571 -15.773 3.617 901 HD1 HIS 117 HD1 HIS 117 -25.496 -18.588 1.987 902 HD2 HIS 117 HD2 HIS 117 -25.625 -14.450 2.366 903 HE1 HIS 117 HE1 HIS 117 -27.700 -17.887 0.999 904 HE2 HIS 117 HE2 HIS 117 -27.804 -15.393 1.334 905 H HIS 118 H HIS 118 -21.389 -16.701 -0.147 906 HA HIS 118 HA HIS 118 -21.540 -13.798 -0.327 907 HB2 HIS 118 HB2 HIS 118 -19.387 -14.969 -0.735 908 HB3 HIS 118 HB1 HIS 118 -20.115 -15.785 -2.110 909 HD1 HIS 118 HD1 HIS 118 -18.663 -12.532 -1.037 910 HD2 HIS 118 HD2 HIS 118 -20.492 -14.160 -4.395 911 HE1 HIS 118 HE1 HIS 118 -18.195 -10.923 -2.911 912 HE2 HIS 118 HE2 HIS 118 -19.386 -11.882 -4.910 913 H HIS 119 H HIS 119 -22.863 -12.745 -1.649 914 HA HIS 119 HA HIS 119 -24.432 -12.269 -3.207 915 HB2 HIS 119 HB2 HIS 119 -22.637 -13.179 -4.725 916 HB3 HIS 119 HB1 HIS 119 -23.462 -14.732 -4.670 917 HD1 HIS 119 HD1 HIS 119 -23.830 -11.242 -6.002 918 HD2 HIS 119 HD2 HIS 119 -25.711 -14.938 -6.282 919 HE1 HIS 119 HE1 HIS 119 -25.468 -11.026 -7.899 920 HE2 HIS 119 HE2 HIS 119 -26.669 -13.239 -7.977 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 11.741 22.987 7.086 2 H2 GLY 1 HT2 GLY 1 12.293 21.501 7.677 3 H3 GLY 1 HT3 GLY 1 11.433 22.547 8.690 4 HA2 GLY 1 HA1 GLY 1 9.453 22.285 7.338 5 HA3 GLY 1 HA2 GLY 1 10.346 21.203 6.280 6 H SER 2 H SER 2 7.931 20.763 7.959 7 HA SER 2 HA SER 2 8.876 18.850 9.936 8 HB2 SER 2 HB2 SER 2 6.049 19.644 9.187 9 HB3 SER 2 HB1 SER 2 6.516 18.655 10.570 10 HG SER 2 HG SER 2 7.596 20.435 11.434 11 H GLN 3 H GLN 3 9.463 16.922 9.183 12 HA GLN 3 HA GLN 3 8.368 15.862 6.743 13 HB2 GLN 3 HB2 GLN 3 10.307 14.669 8.725 14 HB3 GLN 3 HB1 GLN 3 9.857 13.924 7.198 15 HG2 GLN 3 HG2 GLN 3 10.758 15.886 6.013 16 HG3 GLN 3 HG1 GLN 3 11.276 16.552 7.562 17 HE21 GLN 3 HE21 GLN 3 11.827 14.112 5.159 18 HE22 GLN 3 HE22 GLN 3 13.366 13.592 5.743 19 H THR 4 H THR 4 7.275 15.871 9.894 20 HA THR 4 HA THR 4 6.251 13.194 9.958 21 HB THR 4 HB THR 4 6.729 14.506 12.033 22 HG1 THR 4 HG1 THR 4 3.997 13.695 11.871 23 HG21 THR 4 HG21 THR 4 5.083 16.121 12.827 24 HG22 THR 4 HG22 THR 4 4.180 15.961 11.322 25 HG23 THR 4 HG23 THR 4 5.796 16.664 11.309 26 H THR 5 H THR 5 5.181 16.205 8.639 27 HA THR 5 HA THR 5 2.541 15.034 8.083 28 HB THR 5 HB THR 5 1.959 17.440 7.430 29 HG1 THR 5 HG1 THR 5 3.331 19.027 8.321 30 HG21 THR 5 HG21 THR 5 1.163 16.417 9.501 31 HG22 THR 5 HG22 THR 5 1.574 18.112 9.761 32 HG23 THR 5 HG23 THR 5 2.673 16.845 10.305 33 H ALA 6 H ALA 6 5.431 15.131 6.744 34 HA ALA 6 HA ALA 6 4.883 16.146 4.131 35 HB1 ALA 6 HB1 ALA 6 7.178 14.432 5.070 36 HB2 ALA 6 HB2 ALA 6 7.139 16.195 5.047 37 HB3 ALA 6 HB3 ALA 6 7.081 15.292 3.534 38 HA PRO 7 HA PRO 7 4.625 11.501 2.905 39 HB2 PRO 7 HB2 PRO 7 3.975 9.995 5.315 40 HB3 PRO 7 HB1 PRO 7 5.287 9.736 4.163 41 HG2 PRO 7 HG2 PRO 7 5.713 10.599 6.692 42 HG3 PRO 7 HG1 PRO 7 6.751 11.064 5.331 43 HD2 PRO 7 HD2 PRO 7 4.537 12.605 6.637 44 HD3 PRO 7 HD1 PRO 7 6.137 13.165 6.108 45 H ASP 8 H ASP 8 2.732 11.185 1.930 46 HA ASP 8 HA ASP 8 0.273 11.635 3.473 47 HB2 ASP 8 HB2 ASP 8 0.838 11.680 0.512 48 HB3 ASP 8 HB1 ASP 8 -0.797 11.686 1.164 49 H ALA 9 H ALA 9 1.385 9.371 4.153 50 HA ALA 9 HA ALA 9 0.515 7.160 2.510 51 HB1 ALA 9 HB1 ALA 9 1.517 5.757 4.214 52 HB2 ALA 9 HB2 ALA 9 1.720 7.150 5.273 53 HB3 ALA 9 HB3 ALA 9 2.627 7.051 3.764 54 HA PRO 10 HA PRO 10 -3.564 6.800 4.304 55 HB2 PRO 10 HB2 PRO 10 -3.143 3.928 3.659 56 HB3 PRO 10 HB1 PRO 10 -4.477 4.998 3.211 57 HG2 PRO 10 HG2 PRO 10 -2.644 4.280 1.416 58 HG3 PRO 10 HG1 PRO 10 -3.311 5.923 1.433 59 HD2 PRO 10 HD2 PRO 10 -0.665 4.950 2.405 60 HD3 PRO 10 HD1 PRO 10 -1.068 6.450 1.591 61 HA PRO 11 HA PRO 11 -2.546 5.984 8.519 62 HB2 PRO 11 HB2 PRO 11 -5.335 4.897 8.542 63 HB3 PRO 11 HB1 PRO 11 -4.553 6.005 9.675 64 HG2 PRO 11 HG2 PRO 11 -6.235 6.920 7.826 65 HG3 PRO 11 HG1 PRO 11 -4.773 7.823 8.257 66 HD2 PRO 11 HD2 PRO 11 -5.371 6.254 5.812 67 HD3 PRO 11 HD1 PRO 11 -4.306 7.655 6.025 68 H ASP 12 H ASP 12 -4.722 3.441 7.277 69 HA ASP 12 HA ASP 12 -2.718 1.412 7.694 70 HB2 ASP 12 HB2 ASP 12 -3.512 1.582 9.964 71 HB3 ASP 12 HB1 ASP 12 -5.188 1.525 9.430 72 HA PRO 13 HA PRO 13 -5.377 -0.161 4.390 73 HB2 PRO 13 HB2 PRO 13 -3.168 -2.056 4.041 74 HB3 PRO 13 HB1 PRO 13 -3.831 -0.894 2.888 75 HG2 PRO 13 HG2 PRO 13 -1.391 -0.582 3.993 76 HG3 PRO 13 HG1 PRO 13 -2.428 0.797 3.586 77 HD2 PRO 13 HD2 PRO 13 -1.954 -0.493 6.251 78 HD3 PRO 13 HD1 PRO 13 -2.055 1.234 5.836 79 H THR 14 H THR 14 -6.964 -1.425 5.091 80 HA THR 14 HA THR 14 -6.330 -3.576 6.994 81 HB THR 14 HB THR 14 -9.071 -2.457 6.462 82 HG1 THR 14 HG1 THR 14 -6.919 -1.360 7.905 83 HG21 THR 14 HG21 THR 14 -9.498 -3.230 8.750 84 HG22 THR 14 HG22 THR 14 -7.831 -3.789 8.874 85 HG23 THR 14 HG23 THR 14 -8.933 -4.553 7.729 86 H VAL 15 H VAL 15 -7.025 -5.642 6.653 87 HA VAL 15 HA VAL 15 -7.896 -6.264 3.939 88 HB VAL 15 HB VAL 15 -6.756 -8.007 6.128 89 HG11 VAL 15 HG11 VAL 15 -6.714 -9.821 4.509 90 HG12 VAL 15 HG12 VAL 15 -7.524 -8.798 3.323 91 HG13 VAL 15 HG13 VAL 15 -8.370 -9.280 4.795 92 HG21 VAL 15 HG21 VAL 15 -4.877 -8.229 4.508 93 HG22 VAL 15 HG22 VAL 15 -5.098 -6.595 5.136 94 HG23 VAL 15 HG23 VAL 15 -5.653 -7.000 3.511 95 H ASP 16 H ASP 16 -9.940 -6.706 3.527 96 HA ASP 16 HA ASP 16 -11.658 -7.704 5.706 97 HB2 ASP 16 HB2 ASP 16 -12.107 -5.335 5.410 98 HB3 ASP 16 HB1 ASP 16 -12.282 -5.548 3.674 99 H GLN 17 H GLN 17 -13.117 -9.249 5.174 100 HA GLN 17 HA GLN 17 -14.230 -10.849 4.041 101 HB2 GLN 17 HB2 GLN 17 -13.993 -8.935 1.727 102 HB3 GLN 17 HB1 GLN 17 -15.044 -10.326 1.776 103 HG2 GLN 17 HG2 GLN 17 -16.231 -9.359 3.685 104 HG3 GLN 17 HG1 GLN 17 -15.183 -7.944 3.603 105 HE21 GLN 17 HE21 GLN 17 -16.763 -6.495 3.186 106 HE22 GLN 17 HE22 GLN 17 -17.667 -6.454 1.705 107 H VAL 18 H VAL 18 -12.505 -12.332 4.259 108 HA VAL 18 HA VAL 18 -10.710 -12.700 2.035 109 HB VAL 18 HB VAL 18 -9.879 -13.272 4.232 110 HG11 VAL 18 HG11 VAL 18 -12.096 -15.308 4.363 111 HG12 VAL 18 HG12 VAL 18 -11.939 -13.857 5.354 112 HG13 VAL 18 HG13 VAL 18 -10.769 -15.167 5.516 113 HG21 VAL 18 HG21 VAL 18 -10.281 -15.733 2.538 114 HG22 VAL 18 HG22 VAL 18 -9.080 -15.558 3.818 115 HG23 VAL 18 HG23 VAL 18 -8.987 -14.547 2.375 116 H ASP 19 H ASP 19 -11.348 -13.536 0.211 117 HA ASP 19 HA ASP 19 -13.747 -15.178 0.046 118 HB2 ASP 19 HB2 ASP 19 -12.823 -13.247 -1.579 119 HB3 ASP 19 HB1 ASP 19 -12.059 -14.633 -2.349 120 H ASP 20 H ASP 20 -12.944 -16.738 -2.246 121 HA ASP 20 HA ASP 20 -11.940 -19.010 -0.958 122 HB2 ASP 20 HB2 ASP 20 -11.896 -20.088 -3.070 123 HB3 ASP 20 HB1 ASP 20 -13.224 -18.941 -3.154 124 H THR 21 H THR 21 -10.253 -16.718 -3.081 125 HA THR 21 HA THR 21 -7.803 -17.163 -1.583 126 HB THR 21 HB THR 21 -6.533 -17.207 -3.846 127 HG1 THR 21 HG1 THR 21 -9.059 -18.281 -4.651 128 HG21 THR 21 HG21 THR 21 -6.436 -19.053 -2.292 129 HG22 THR 21 HG22 THR 21 -6.624 -19.675 -3.931 130 HG23 THR 21 HG23 THR 21 -8.009 -19.639 -2.841 131 H SER 22 H SER 22 -9.558 -14.992 -1.616 132 HA SER 22 HA SER 22 -7.894 -12.922 -2.816 133 HB2 SER 22 HB2 SER 22 -10.877 -13.047 -3.307 134 HB3 SER 22 HB1 SER 22 -9.744 -11.859 -3.953 135 HG SER 22 HG SER 22 -8.756 -14.145 -4.661 136 H ILE 23 H ILE 23 -8.308 -10.805 -1.944 137 HA ILE 23 HA ILE 23 -10.041 -10.723 0.436 138 HB ILE 23 HB ILE 23 -8.421 -9.455 1.694 139 HG12 ILE 23 HG12 ILE 23 -6.392 -9.856 -0.493 140 HG13 ILE 23 HG11 ILE 23 -7.435 -8.441 -0.459 141 HG21 ILE 23 HG21 ILE 23 -7.108 -11.920 0.559 142 HG22 ILE 23 HG22 ILE 23 -8.258 -11.879 1.897 143 HG23 ILE 23 HG23 ILE 23 -6.675 -11.122 2.070 144 HD11 ILE 23 HD11 ILE 23 -5.337 -9.250 1.526 145 HD12 ILE 23 HD12 ILE 23 -6.544 -8.009 1.858 146 HD13 ILE 23 HD13 ILE 23 -5.407 -7.793 0.527 147 H VAL 24 H VAL 24 -10.720 -8.529 0.986 148 HA VAL 24 HA VAL 24 -10.288 -6.591 -1.186 149 HB VAL 24 HB VAL 24 -12.353 -6.476 1.027 150 HG11 VAL 24 HG11 VAL 24 -12.024 -4.819 -1.475 151 HG12 VAL 24 HG12 VAL 24 -11.727 -4.282 0.179 152 HG13 VAL 24 HG13 VAL 24 -13.362 -4.699 -0.332 153 HG21 VAL 24 HG21 VAL 24 -13.996 -7.042 -0.709 154 HG22 VAL 24 HG22 VAL 24 -12.826 -8.338 -0.465 155 HG23 VAL 24 HG23 VAL 24 -12.685 -7.275 -1.865 156 H VAL 25 H VAL 25 -8.475 -5.511 -0.725 157 HA VAL 25 HA VAL 25 -7.886 -4.788 2.039 158 HB VAL 25 HB VAL 25 -5.987 -5.677 0.930 159 HG11 VAL 25 HG11 VAL 25 -6.620 -3.801 -1.321 160 HG12 VAL 25 HG12 VAL 25 -6.564 -5.565 -1.341 161 HG13 VAL 25 HG13 VAL 25 -5.076 -4.638 -1.160 162 HG21 VAL 25 HG21 VAL 25 -4.372 -3.846 0.931 163 HG22 VAL 25 HG22 VAL 25 -5.457 -3.770 2.321 164 HG23 VAL 25 HG23 VAL 25 -5.698 -2.682 0.955 165 H ARG 26 H ARG 26 -8.411 -2.898 2.843 166 HA ARG 26 HA ARG 26 -9.249 -0.776 0.971 167 HB2 ARG 26 HB2 ARG 26 -10.263 -1.222 3.780 168 HB3 ARG 26 HB1 ARG 26 -10.897 -0.096 2.592 169 HG2 ARG 26 HG2 ARG 26 -11.564 -2.019 1.188 170 HG3 ARG 26 HG1 ARG 26 -11.030 -3.098 2.479 171 HD2 ARG 26 HD2 ARG 26 -12.605 -1.819 4.002 172 HD3 ARG 26 HD1 ARG 26 -13.266 -1.089 2.541 173 HE ARG 26 HE ARG 26 -13.373 -3.954 3.214 174 HH11 ARG 26 HH11 ARG 26 -14.599 -1.197 1.431 175 HH12 ARG 26 HH12 ARG 26 -15.976 -2.053 0.817 176 HH21 ARG 26 HH21 ARG 26 -15.173 -5.068 2.447 177 HH22 ARG 26 HH22 ARG 26 -16.307 -4.265 1.399 178 H TRP 27 H TRP 27 -8.588 1.310 1.348 179 HA TRP 27 HA TRP 27 -7.238 1.963 3.834 180 HB2 TRP 27 HB2 TRP 27 -5.243 2.866 2.699 181 HB3 TRP 27 HB1 TRP 27 -5.396 1.131 2.453 182 HD1 TRP 27 HD1 TRP 27 -5.550 4.452 0.578 183 HE1 TRP 27 HE1 TRP 27 -5.459 3.982 -1.950 184 HE3 TRP 27 HE3 TRP 27 -5.954 -0.642 0.682 185 HZ2 TRP 27 HZ2 TRP 27 -5.539 1.746 -3.672 186 HZ3 TRP 27 HZ3 TRP 27 -5.933 -1.870 -1.450 187 HH2 TRP 27 HH2 TRP 27 -5.731 -0.699 -3.580 188 H SER 28 H SER 28 -7.118 4.224 4.211 189 HA SER 28 HA SER 28 -8.784 5.806 2.381 190 HB2 SER 28 HB2 SER 28 -9.116 7.276 4.451 191 HB3 SER 28 HB1 SER 28 -9.893 5.694 4.470 192 HG SER 28 HG SER 28 -8.246 6.660 6.252 193 H ARG 29 H ARG 29 -7.886 7.550 1.399 194 HA ARG 29 HA ARG 29 -5.136 8.161 2.091 195 HB2 ARG 29 HB2 ARG 29 -4.853 9.098 0.008 196 HB3 ARG 29 HB1 ARG 29 -6.083 7.894 -0.329 197 HG2 ARG 29 HG2 ARG 29 -6.591 10.822 0.143 198 HG3 ARG 29 HG1 ARG 29 -6.534 10.026 -1.430 199 HD2 ARG 29 HD2 ARG 29 -8.425 8.642 -0.821 200 HD3 ARG 29 HD1 ARG 29 -8.450 9.361 0.790 201 HE ARG 29 HE ARG 29 -8.679 11.489 -0.907 202 HH11 ARG 29 HH11 ARG 29 -10.481 8.524 -0.458 203 HH12 ARG 29 HH12 ARG 29 -11.981 9.205 -0.996 204 HH21 ARG 29 HH21 ARG 29 -10.644 12.384 -1.624 205 HH22 ARG 29 HH22 ARG 29 -12.073 11.401 -1.670 206 HA PRO 30 HA PRO 30 -5.906 11.811 4.432 207 HB2 PRO 30 HB2 PRO 30 -3.908 13.241 2.775 208 HB3 PRO 30 HB1 PRO 30 -3.937 12.972 4.520 209 HG2 PRO 30 HG2 PRO 30 -2.236 11.638 2.961 210 HG3 PRO 30 HG1 PRO 30 -3.023 10.850 4.344 211 HD2 PRO 30 HD2 PRO 30 -3.669 10.647 1.428 212 HD3 PRO 30 HD1 PRO 30 -3.648 9.381 2.664 213 H1 MET 31 HT1 MET 31 -0.679 24.592 -3.651 214 H2 MET 31 HT2 MET 31 0.102 24.388 -2.164 215 H3 MET 31 HT3 MET 31 -0.394 25.926 -2.654 216 HA MET 31 HA MET 31 -2.205 23.657 -2.097 217 HB2 MET 31 HB2 MET 31 -1.095 24.503 -0.055 218 HB3 MET 31 HB1 MET 31 -1.652 26.126 -0.435 219 HG2 MET 31 HG2 MET 31 -3.974 25.357 -0.241 220 HG3 MET 31 HG1 MET 31 -3.392 23.752 0.195 221 HE1 MET 31 HE1 MET 31 -2.018 23.231 2.404 222 HE2 MET 31 HE2 MET 31 -1.614 24.440 3.623 223 HE3 MET 31 HE3 MET 31 -0.849 24.500 2.034 224 H ARG 32 H ARG 32 -2.108 27.227 -2.193 225 HA ARG 32 HA ARG 32 -4.716 27.153 -3.550 226 HB2 ARG 32 HB2 ARG 32 -3.423 29.332 -1.903 227 HB3 ARG 32 HB1 ARG 32 -4.929 29.527 -2.786 228 HG2 ARG 32 HG2 ARG 32 -5.940 27.750 -1.436 229 HG3 ARG 32 HG1 ARG 32 -4.430 27.593 -0.535 230 HD2 ARG 32 HD2 ARG 32 -4.630 29.909 0.210 231 HD3 ARG 32 HD1 ARG 32 -6.129 30.080 -0.701 232 HE ARG 32 HE ARG 32 -6.453 27.917 1.016 233 HH11 ARG 32 HH11 ARG 32 -5.937 31.370 1.249 234 HH12 ARG 32 HH12 ARG 32 -6.765 31.521 2.762 235 HH21 ARG 32 HH21 ARG 32 -7.541 28.115 3.021 236 HH22 ARG 32 HH22 ARG 32 -7.664 29.670 3.780 237 H GLY 33 H GLY 33 -5.052 28.399 -5.391 238 HA2 GLY 33 HA2 GLY 33 -3.211 30.143 -6.564 239 HA3 GLY 33 HA1 GLY 33 -2.861 28.527 -7.160 240 H SER 34 H SER 34 -3.594 28.513 -9.198 241 HA SER 34 HA SER 34 -6.015 29.882 -9.927 242 HB2 SER 34 HB2 SER 34 -4.079 29.732 -11.469 243 HB3 SER 34 HB1 SER 34 -4.311 27.987 -11.563 244 HG SER 34 HG SER 34 -5.294 29.365 -13.269 245 H ASN 35 H ASN 35 -4.980 26.467 -9.883 246 HA ASN 35 HA ASN 35 -7.828 25.707 -9.812 247 HB2 ASN 35 HB2 ASN 35 -7.223 23.632 -10.957 248 HB3 ASN 35 HB1 ASN 35 -6.724 25.026 -11.908 249 HD21 ASN 35 HD21 ASN 35 -5.745 22.304 -12.004 250 HD22 ASN 35 HD22 ASN 35 -4.048 22.380 -11.677 251 H ALA 36 H ALA 36 -6.150 26.355 -7.587 252 HA ALA 36 HA ALA 36 -5.410 25.641 -5.563 253 HB1 ALA 36 HB1 ALA 36 -7.804 25.163 -5.363 254 HB2 ALA 36 HB2 ALA 36 -6.832 24.021 -4.435 255 HB3 ALA 36 HB3 ALA 36 -7.528 23.534 -5.980 256 HA PRO 37 HA PRO 37 -2.781 22.251 -7.437 257 HB2 PRO 37 HB2 PRO 37 -0.556 23.998 -6.667 258 HB3 PRO 37 HB1 PRO 37 -0.928 23.295 -8.243 259 HG2 PRO 37 HG2 PRO 37 -1.191 25.932 -7.751 260 HG3 PRO 37 HG1 PRO 37 -2.263 25.063 -8.865 261 HD2 PRO 37 HD2 PRO 37 -2.753 25.902 -6.029 262 HD3 PRO 37 HD1 PRO 37 -3.844 25.976 -7.430 263 H GLN 38 H GLN 38 -3.138 20.833 -5.779 264 HA GLN 38 HA GLN 38 -1.655 21.304 -3.280 265 HB2 GLN 38 HB2 GLN 38 -4.249 19.814 -3.712 266 HB3 GLN 38 HB1 GLN 38 -3.360 19.839 -2.195 267 HG2 GLN 38 HG2 GLN 38 -3.657 22.260 -2.064 268 HG3 GLN 38 HG1 GLN 38 -4.557 22.229 -3.580 269 HE21 GLN 38 HE21 GLN 38 -6.624 21.363 -3.615 270 HE22 GLN 38 HE22 GLN 38 -7.532 21.082 -2.170 271 HA PRO 39 HA PRO 39 0.748 17.676 -4.253 272 HB2 PRO 39 HB2 PRO 39 0.860 17.478 -1.288 273 HB3 PRO 39 HB1 PRO 39 2.175 17.491 -2.466 274 HG2 PRO 39 HG2 PRO 39 1.673 19.632 -0.967 275 HG3 PRO 39 HG1 PRO 39 2.151 19.800 -2.668 276 HD2 PRO 39 HD2 PRO 39 -0.549 20.071 -1.418 277 HD3 PRO 39 HD1 PRO 39 0.183 20.999 -2.744 278 H SER 40 H SER 40 -1.922 17.751 -2.006 279 HA SER 40 HA SER 40 -2.288 14.944 -1.789 280 HB2 SER 40 HB2 SER 40 -3.237 16.568 -0.162 281 HB3 SER 40 HB1 SER 40 -4.318 17.166 -1.420 282 HG SER 40 HG SER 40 -4.299 14.647 -0.134 283 H HIS 41 H HIS 41 -2.116 14.212 -3.923 284 HA HIS 41 HA HIS 41 -4.625 14.014 -5.274 285 HB2 HIS 41 HB2 HIS 41 -3.707 16.218 -6.114 286 HB3 HIS 41 HB1 HIS 41 -2.371 15.313 -6.819 287 HD1 HIS 41 HD1 HIS 41 -2.767 14.271 -9.080 288 HD2 HIS 41 HD2 HIS 41 -6.273 15.589 -7.281 289 HE1 HIS 41 HE1 HIS 41 -4.555 14.011 -10.816 290 HE2 HIS 41 HE2 HIS 41 -6.692 14.649 -9.650 291 H ILE 42 H ILE 42 -4.306 11.833 -4.916 292 HA ILE 42 HA ILE 42 -1.864 10.533 -5.683 293 HB ILE 42 HB ILE 42 -4.507 9.394 -4.759 294 HG12 ILE 42 HG12 ILE 42 -3.035 8.713 -2.772 295 HG13 ILE 42 HG11 ILE 42 -1.840 9.832 -3.409 296 HG21 ILE 42 HG21 ILE 42 -1.916 7.957 -5.314 297 HG22 ILE 42 HG22 ILE 42 -3.409 7.813 -6.242 298 HG23 ILE 42 HG23 ILE 42 -3.349 7.243 -4.573 299 HD11 ILE 42 HD11 ILE 42 -4.625 10.541 -2.518 300 HD12 ILE 42 HD12 ILE 42 -3.428 11.669 -3.157 301 HD13 ILE 42 HD13 ILE 42 -3.132 10.843 -1.626 302 H SER 43 H SER 43 -1.356 9.824 -7.595 303 HA SER 43 HA SER 43 -3.229 9.887 -9.779 304 HB2 SER 43 HB2 SER 43 -0.367 8.897 -9.701 305 HB3 SER 43 HB1 SER 43 -1.297 9.298 -11.145 306 HG SER 43 HG SER 43 -1.421 11.473 -10.262 307 H LYS 44 H LYS 44 -1.441 7.428 -7.957 308 HA LYS 44 HA LYS 44 -3.400 5.421 -8.529 309 HB2 LYS 44 HB2 LYS 44 -1.878 3.863 -9.686 310 HB3 LYS 44 HB1 LYS 44 -2.169 5.318 -10.631 311 HG2 LYS 44 HG2 LYS 44 -0.001 6.215 -9.855 312 HG3 LYS 44 HG1 LYS 44 0.291 4.695 -9.003 313 HD2 LYS 44 HD2 LYS 44 0.222 3.478 -11.100 314 HD3 LYS 44 HD1 LYS 44 -0.158 4.963 -11.974 315 HE2 LYS 44 HE2 LYS 44 1.991 5.910 -11.330 316 HE3 LYS 44 HE1 LYS 44 2.369 4.457 -10.405 317 HZ1 LYS 44 HZ1 LYS 44 1.901 4.528 -13.337 318 HZ2 LYS 44 HZ2 LYS 44 2.366 3.179 -12.429 319 HZ3 LYS 44 HZ3 LYS 44 3.422 4.487 -12.601 320 H TYR 45 H TYR 45 -3.042 3.473 -7.361 321 HA TYR 45 HA TYR 45 -0.964 3.664 -5.271 322 HB2 TYR 45 HB2 TYR 45 -3.570 2.124 -5.167 323 HB3 TYR 45 HB1 TYR 45 -2.389 2.250 -3.875 324 HD1 TYR 45 HD1 TYR 45 -5.298 3.692 -5.387 325 HD2 TYR 45 HD2 TYR 45 -2.021 4.524 -2.806 326 HE1 TYR 45 HE1 TYR 45 -6.517 5.621 -4.472 327 HE2 TYR 45 HE2 TYR 45 -3.228 6.459 -1.888 328 HH TYR 45 HH TYR 45 -5.074 8.024 -2.677 329 H ILE 46 H ILE 46 0.505 2.019 -5.188 330 HA ILE 46 HA ILE 46 0.006 -0.255 -6.992 331 HB ILE 46 HB ILE 46 2.624 0.913 -6.043 332 HG12 ILE 46 HG12 ILE 46 3.054 0.903 -8.555 333 HG13 ILE 46 HG11 ILE 46 1.347 0.529 -8.755 334 HG21 ILE 46 HG21 ILE 46 2.788 -1.511 -5.878 335 HG22 ILE 46 HG22 ILE 46 3.754 -0.916 -7.227 336 HG23 ILE 46 HG23 ILE 46 2.193 -1.677 -7.530 337 HD11 ILE 46 HD11 ILE 46 0.780 2.629 -7.615 338 HD12 ILE 46 HD12 ILE 46 1.736 2.883 -9.074 339 HD13 ILE 46 HD13 ILE 46 2.498 3.002 -7.489 340 H LEU 47 H LEU 47 -0.470 -2.101 -6.107 341 HA LEU 47 HA LEU 47 0.060 -2.503 -3.250 342 HB2 LEU 47 HB2 LEU 47 -2.255 -2.776 -4.551 343 HB3 LEU 47 HB1 LEU 47 -1.611 -4.364 -4.894 344 HG LEU 47 HG LEU 47 -3.106 -4.492 -3.012 345 HD11 LEU 47 HD11 LEU 47 -1.244 -5.997 -2.886 346 HD12 LEU 47 HD12 LEU 47 -1.613 -5.403 -1.268 347 HD13 LEU 47 HD13 LEU 47 -0.231 -4.754 -2.152 348 HD21 LEU 47 HD21 LEU 47 -2.988 -2.179 -2.281 349 HD22 LEU 47 HD22 LEU 47 -1.354 -2.442 -1.668 350 HD23 LEU 47 HD23 LEU 47 -2.721 -3.287 -0.936 351 H ARG 48 H ARG 48 1.863 -3.577 -2.819 352 HA ARG 48 HA ARG 48 2.688 -5.760 -4.626 353 HB2 ARG 48 HB2 ARG 48 4.306 -4.002 -2.784 354 HB3 ARG 48 HB1 ARG 48 4.942 -5.483 -3.472 355 HG2 ARG 48 HG2 ARG 48 4.637 -4.567 -5.701 356 HG3 ARG 48 HG1 ARG 48 3.976 -3.085 -5.008 357 HD2 ARG 48 HD2 ARG 48 6.080 -2.681 -3.846 358 HD3 ARG 48 HD1 ARG 48 6.743 -4.178 -4.500 359 HE ARG 48 HE ARG 48 6.017 -2.808 -6.712 360 HH11 ARG 48 HH11 ARG 48 7.951 -1.952 -3.920 361 HH12 ARG 48 HH12 ARG 48 8.989 -0.885 -4.808 362 HH21 ARG 48 HH21 ARG 48 7.384 -1.420 -7.885 363 HH22 ARG 48 HH22 ARG 48 8.664 -0.576 -7.069 364 H TRP 49 H TRP 49 2.733 -7.807 -3.817 365 HA TRP 49 HA TRP 49 2.843 -8.132 -0.919 366 HB2 TRP 49 HB2 TRP 49 0.979 -9.671 -0.845 367 HB3 TRP 49 HB1 TRP 49 0.449 -8.135 -1.510 368 HD1 TRP 49 HD1 TRP 49 0.719 -11.805 -2.319 369 HE1 TRP 49 HE1 TRP 49 -0.409 -12.268 -4.582 370 HE3 TRP 49 HE3 TRP 49 0.047 -6.989 -3.885 371 HZ2 TRP 49 HZ2 TRP 49 -1.443 -10.783 -6.753 372 HZ3 TRP 49 HZ3 TRP 49 -1.019 -6.595 -6.065 373 HH2 TRP 49 HH2 TRP 49 -1.746 -8.453 -7.468 374 H ARG 50 H ARG 50 3.607 -10.101 -0.183 375 HA ARG 50 HA ARG 50 4.416 -12.165 -2.063 376 HB2 ARG 50 HB2 ARG 50 6.754 -12.109 -1.500 377 HB3 ARG 50 HB1 ARG 50 6.307 -10.489 -2.017 378 HG2 ARG 50 HG2 ARG 50 6.305 -9.704 0.221 379 HG3 ARG 50 HG1 ARG 50 6.445 -11.344 0.859 380 HD2 ARG 50 HD2 ARG 50 8.627 -11.404 -0.562 381 HD3 ARG 50 HD1 ARG 50 8.500 -9.646 -0.482 382 HE ARG 50 HE ARG 50 8.267 -10.995 2.047 383 HH11 ARG 50 HH11 ARG 50 10.485 -9.584 -0.259 384 HH12 ARG 50 HH12 ARG 50 11.696 -9.230 0.930 385 HH21 ARG 50 HH21 ARG 50 9.873 -10.540 3.619 386 HH22 ARG 50 HH22 ARG 50 11.353 -9.775 3.129 387 HA PRO 51 HA PRO 51 3.714 -14.773 1.526 388 HB2 PRO 51 HB2 PRO 51 5.797 -16.570 1.201 389 HB3 PRO 51 HB1 PRO 51 4.225 -16.696 0.408 390 HG2 PRO 51 HG2 PRO 51 6.807 -15.633 -0.653 391 HG3 PRO 51 HG1 PRO 51 5.569 -16.605 -1.473 392 HD2 PRO 51 HD2 PRO 51 5.787 -13.961 -1.891 393 HD3 PRO 51 HD1 PRO 51 4.207 -14.770 -1.862 394 H LYS 52 H LYS 52 4.197 -14.055 3.488 395 HA LYS 52 HA LYS 52 6.512 -12.496 4.014 396 HB2 LYS 52 HB2 LYS 52 4.265 -12.135 5.018 397 HB3 LYS 52 HB1 LYS 52 4.463 -13.612 5.940 398 HG2 LYS 52 HG2 LYS 52 6.489 -11.451 6.239 399 HG3 LYS 52 HG1 LYS 52 4.912 -11.272 7.008 400 HD2 LYS 52 HD2 LYS 52 5.249 -13.433 8.143 401 HD3 LYS 52 HD1 LYS 52 6.851 -13.548 7.409 402 HE2 LYS 52 HE2 LYS 52 7.544 -11.520 8.551 403 HE3 LYS 52 HE1 LYS 52 5.930 -11.329 9.226 404 HZ1 LYS 52 HZ1 LYS 52 6.223 -13.375 10.453 405 HZ2 LYS 52 HZ2 LYS 52 7.460 -12.285 10.822 406 HZ3 LYS 52 HZ3 LYS 52 7.767 -13.586 9.790 407 H ASN 53 H ASN 53 5.726 -15.834 4.467 408 HA ASN 53 HA ASN 53 7.672 -16.390 6.476 409 HB2 ASN 53 HB2 ASN 53 7.220 -18.784 5.871 410 HB3 ASN 53 HB1 ASN 53 5.786 -17.854 6.295 411 HD21 ASN 53 HD21 ASN 53 7.477 -19.529 3.793 412 HD22 ASN 53 HD22 ASN 53 6.217 -19.451 2.610 413 H SER 54 H SER 54 7.951 -15.745 3.187 414 HA SER 54 HA SER 54 10.725 -16.678 3.235 415 HB2 SER 54 HB2 SER 54 8.830 -17.128 0.912 416 HB3 SER 54 HB1 SER 54 10.548 -17.521 0.932 417 HG SER 54 HG SER 54 9.893 -18.833 2.893 418 H VAL 55 H VAL 55 11.556 -15.781 0.759 419 HA VAL 55 HA VAL 55 11.013 -12.937 0.884 420 HB VAL 55 HB VAL 55 13.344 -13.703 0.624 421 HG11 VAL 55 HG11 VAL 55 14.077 -14.567 -1.588 422 HG12 VAL 55 HG12 VAL 55 12.381 -14.776 -2.021 423 HG13 VAL 55 HG13 VAL 55 13.070 -15.692 -0.681 424 HG21 VAL 55 HG21 VAL 55 13.952 -12.199 -1.203 425 HG22 VAL 55 HG22 VAL 55 12.711 -11.507 -0.158 426 HG23 VAL 55 HG23 VAL 55 12.269 -12.176 -1.728 427 H GLY 56 H GLY 56 10.527 -15.703 -1.228 428 HA2 GLY 56 HA2 GLY 56 9.139 -16.054 -3.009 429 HA3 GLY 56 HA1 GLY 56 8.089 -14.885 -2.229 430 H ARG 57 H ARG 57 7.358 -13.908 -4.037 431 HA ARG 57 HA ARG 57 9.266 -12.156 -5.397 432 HB2 ARG 57 HB2 ARG 57 7.218 -13.925 -6.732 433 HB3 ARG 57 HB1 ARG 57 7.979 -12.559 -7.535 434 HG2 ARG 57 HG2 ARG 57 10.143 -13.590 -7.342 435 HG3 ARG 57 HG1 ARG 57 9.464 -14.912 -6.390 436 HD2 ARG 57 HD2 ARG 57 8.642 -14.254 -9.208 437 HD3 ARG 57 HD1 ARG 57 9.853 -15.463 -8.791 438 HE ARG 57 HE ARG 57 7.913 -16.462 -7.420 439 HH11 ARG 57 HH11 ARG 57 7.540 -14.812 -10.490 440 HH12 ARG 57 HH12 ARG 57 6.154 -15.740 -10.961 441 HH21 ARG 57 HH21 ARG 57 6.092 -17.681 -8.042 442 HH22 ARG 57 HH22 ARG 57 5.332 -17.375 -9.571 443 H TRP 58 H TRP 58 8.481 -10.113 -5.746 444 HA TRP 58 HA TRP 58 6.011 -9.429 -4.429 445 HB2 TRP 58 HB2 TRP 58 8.052 -7.765 -5.907 446 HB3 TRP 58 HB1 TRP 58 6.599 -7.088 -5.186 447 HD1 TRP 58 HD1 TRP 58 10.120 -7.948 -4.392 448 HE1 TRP 58 HE1 TRP 58 10.580 -7.585 -1.886 449 HE3 TRP 58 HE3 TRP 58 5.305 -7.433 -2.750 450 HZ2 TRP 58 HZ2 TRP 58 9.096 -7.144 0.475 451 HZ3 TRP 58 HZ3 TRP 58 4.913 -7.045 -0.352 452 HH2 TRP 58 HH2 TRP 58 6.770 -6.905 1.226 453 H LYS 59 H LYS 59 4.114 -9.671 -5.414 454 HA LYS 59 HA LYS 59 3.877 -9.290 -8.293 455 HB2 LYS 59 HB2 LYS 59 1.783 -9.915 -6.199 456 HB3 LYS 59 HB1 LYS 59 1.478 -9.823 -7.925 457 HG2 LYS 59 HG2 LYS 59 3.024 -11.705 -8.276 458 HG3 LYS 59 HG1 LYS 59 3.252 -11.815 -6.531 459 HD2 LYS 59 HD2 LYS 59 0.834 -12.213 -6.264 460 HD3 LYS 59 HD1 LYS 59 0.647 -12.158 -8.017 461 HE2 LYS 59 HE2 LYS 59 0.724 -14.453 -7.331 462 HE3 LYS 59 HE1 LYS 59 2.217 -14.076 -8.188 463 HZ1 LYS 59 HZ1 LYS 59 2.577 -15.390 -6.166 464 HZ2 LYS 59 HZ2 LYS 59 1.935 -14.132 -5.234 465 HZ3 LYS 59 HZ3 LYS 59 3.365 -13.894 -6.100 466 H GLU 60 H GLU 60 2.938 -7.491 -9.245 467 HA GLU 60 HA GLU 60 2.348 -5.284 -7.385 468 HB2 GLU 60 HB2 GLU 60 3.449 -5.082 -10.191 469 HB3 GLU 60 HB1 GLU 60 3.136 -3.737 -9.104 470 HG2 GLU 60 HG2 GLU 60 4.801 -4.834 -7.531 471 HG3 GLU 60 HG1 GLU 60 5.249 -5.852 -8.896 472 H ALA 61 H ALA 61 0.336 -4.596 -7.383 473 HA ALA 61 HA ALA 61 -1.239 -4.813 -9.868 474 HB1 ALA 61 HB1 ALA 61 -3.240 -4.814 -8.464 475 HB2 ALA 61 HB2 ALA 61 -2.234 -4.706 -7.020 476 HB3 ALA 61 HB3 ALA 61 -2.166 -6.146 -8.036 477 H THR 62 H THR 62 -2.126 -2.975 -10.696 478 HA THR 62 HA THR 62 -1.371 -0.472 -9.358 479 HB THR 62 HB THR 62 -2.265 -0.788 -12.227 480 HG1 THR 62 HG1 THR 62 -0.050 -1.721 -11.138 481 HG21 THR 62 HG21 THR 62 -1.107 1.347 -12.531 482 HG22 THR 62 HG22 THR 62 -0.670 1.362 -10.823 483 HG23 THR 62 HG23 THR 62 -2.362 1.488 -11.300 484 H ILE 63 H ILE 63 -2.913 0.526 -8.279 485 HA ILE 63 HA ILE 63 -5.722 0.130 -9.084 486 HB ILE 63 HB ILE 63 -4.612 0.980 -6.395 487 HG12 ILE 63 HG12 ILE 63 -5.822 -1.240 -5.744 488 HG13 ILE 63 HG11 ILE 63 -5.625 -1.638 -7.444 489 HG21 ILE 63 HG21 ILE 63 -7.461 0.401 -7.184 490 HG22 ILE 63 HG22 ILE 63 -6.786 2.002 -6.890 491 HG23 ILE 63 HG23 ILE 63 -6.891 0.833 -5.572 492 HD11 ILE 63 HD11 ILE 63 -3.843 -2.591 -6.123 493 HD12 ILE 63 HD12 ILE 63 -3.423 -0.995 -5.498 494 HD13 ILE 63 HD13 ILE 63 -3.205 -1.358 -7.211 495 HA PRO 64 HA PRO 64 -5.731 4.434 -10.429 496 HB2 PRO 64 HB2 PRO 64 -8.625 4.020 -9.834 497 HB3 PRO 64 HB1 PRO 64 -7.861 4.711 -11.270 498 HG2 PRO 64 HG2 PRO 64 -8.851 2.241 -11.317 499 HG3 PRO 64 HG1 PRO 64 -7.337 2.631 -12.152 500 HD2 PRO 64 HD2 PRO 64 -7.765 1.171 -9.590 501 HD3 PRO 64 HD1 PRO 64 -6.532 0.922 -10.840 502 H GLY 65 H GLY 65 -5.676 6.319 -9.314 503 HA2 GLY 65 HA2 GLY 65 -5.663 6.130 -6.458 504 HA3 GLY 65 HA1 GLY 65 -5.283 7.553 -7.411 505 H HIS 66 H HIS 66 -8.240 5.612 -7.131 506 HA HIS 66 HA HIS 66 -9.572 7.628 -5.591 507 HB2 HIS 66 HB2 HIS 66 -11.404 7.989 -7.286 508 HB3 HIS 66 HB1 HIS 66 -9.866 8.746 -7.672 509 HD1 HIS 66 HD1 HIS 66 -9.041 8.359 -9.980 510 HD2 HIS 66 HD2 HIS 66 -11.772 5.455 -8.799 511 HE1 HIS 66 HE1 HIS 66 -9.426 6.930 -12.009 512 HE2 HIS 66 HE2 HIS 66 -11.174 5.258 -11.308 513 H LEU 67 H LEU 67 -9.040 4.527 -6.223 514 HA LEU 67 HA LEU 67 -11.777 3.610 -5.744 515 HB2 LEU 67 HB2 LEU 67 -9.257 2.009 -6.185 516 HB3 LEU 67 HB1 LEU 67 -10.864 1.338 -6.002 517 HG LEU 67 HG LEU 67 -9.844 3.011 -8.291 518 HD11 LEU 67 HD11 LEU 67 -10.886 0.188 -8.205 519 HD12 LEU 67 HD12 LEU 67 -9.184 0.638 -8.245 520 HD13 LEU 67 HD13 LEU 67 -10.230 1.036 -9.606 521 HD21 LEU 67 HD21 LEU 67 -12.628 1.953 -7.813 522 HD22 LEU 67 HD22 LEU 67 -12.057 2.733 -9.289 523 HD23 LEU 67 HD23 LEU 67 -12.144 3.647 -7.784 524 H ASN 68 H ASN 68 -8.550 3.291 -4.351 525 HA ASN 68 HA ASN 68 -7.783 3.130 -2.239 526 HB2 ASN 68 HB2 ASN 68 -10.508 4.264 -1.623 527 HB3 ASN 68 HB1 ASN 68 -9.257 4.028 -0.403 528 HD21 ASN 68 HD21 ASN 68 -7.418 5.298 -0.451 529 HD22 ASN 68 HD22 ASN 68 -7.313 6.748 -1.388 530 H SER 69 H SER 69 -9.348 0.938 -3.513 531 HA SER 69 HA SER 69 -9.070 -0.908 -1.363 532 HB2 SER 69 HB2 SER 69 -11.477 -1.774 -1.660 533 HB3 SER 69 HB1 SER 69 -11.267 -0.304 -0.707 534 HG SER 69 HG SER 69 -11.821 0.894 -2.580 535 H TYR 70 H TYR 70 -8.800 -3.014 -2.163 536 HA TYR 70 HA TYR 70 -9.258 -3.440 -5.016 537 HB2 TYR 70 HB2 TYR 70 -6.986 -2.444 -4.785 538 HB3 TYR 70 HB1 TYR 70 -6.524 -3.802 -3.762 539 HD1 TYR 70 HD1 TYR 70 -5.593 -5.696 -4.730 540 HD2 TYR 70 HD2 TYR 70 -7.841 -3.034 -7.167 541 HE1 TYR 70 HE1 TYR 70 -4.929 -6.972 -6.725 542 HE2 TYR 70 HE2 TYR 70 -7.188 -4.304 -9.168 543 HH TYR 70 HH TYR 70 -5.800 -7.362 -9.039 544 H THR 71 H THR 71 -9.599 -5.548 -5.563 545 HA THR 71 HA THR 71 -9.637 -7.492 -3.383 546 HB THR 71 HB THR 71 -10.660 -7.845 -6.209 547 HG1 THR 71 HG1 THR 71 -11.605 -6.135 -4.614 548 HG21 THR 71 HG21 THR 71 -10.282 -9.935 -4.994 549 HG22 THR 71 HG22 THR 71 -12.007 -9.641 -5.208 550 HG23 THR 71 HG23 THR 71 -11.247 -9.336 -3.646 551 H ILE 72 H ILE 72 -7.583 -8.229 -3.106 552 HA ILE 72 HA ILE 72 -5.844 -8.798 -5.330 553 HB ILE 72 HB ILE 72 -5.479 -9.661 -2.458 554 HG12 ILE 72 HG12 ILE 72 -4.510 -7.123 -3.795 555 HG13 ILE 72 HG11 ILE 72 -5.807 -7.209 -2.607 556 HG21 ILE 72 HG21 ILE 72 -3.100 -9.708 -3.052 557 HG22 ILE 72 HG22 ILE 72 -3.508 -9.257 -4.707 558 HG23 ILE 72 HG23 ILE 72 -4.045 -10.806 -4.057 559 HD11 ILE 72 HD11 ILE 72 -2.890 -7.785 -2.185 560 HD12 ILE 72 HD12 ILE 72 -4.139 -8.151 -0.997 561 HD13 ILE 72 HD13 ILE 72 -3.850 -6.477 -1.482 562 H LYS 73 H LYS 73 -6.163 -10.531 -6.571 563 HA LYS 73 HA LYS 73 -7.380 -12.913 -5.362 564 HB2 LYS 73 HB2 LYS 73 -7.180 -12.118 -8.277 565 HB3 LYS 73 HB1 LYS 73 -7.985 -13.557 -7.662 566 HG2 LYS 73 HG2 LYS 73 -9.546 -12.117 -6.410 567 HG3 LYS 73 HG1 LYS 73 -8.769 -10.701 -7.118 568 HD2 LYS 73 HD2 LYS 73 -9.398 -11.468 -9.352 569 HD3 LYS 73 HD1 LYS 73 -10.165 -12.895 -8.647 570 HE2 LYS 73 HE2 LYS 73 -11.691 -11.416 -7.393 571 HE3 LYS 73 HE1 LYS 73 -10.956 -10.021 -8.182 572 HZ1 LYS 73 HZ1 LYS 73 -12.408 -12.222 -9.551 573 HZ2 LYS 73 HZ2 LYS 73 -11.691 -10.894 -10.317 574 HZ3 LYS 73 HZ3 LYS 73 -12.999 -10.662 -9.275 575 H GLY 74 H GLY 74 -6.127 -14.604 -4.990 576 HA2 GLY 74 HA2 GLY 74 -4.490 -16.163 -6.097 577 HA3 GLY 74 HA1 GLY 74 -3.524 -14.724 -6.387 578 H LEU 75 H LEU 75 -5.261 -14.859 -3.439 579 HA LEU 75 HA LEU 75 -2.735 -15.218 -1.989 580 HB2 LEU 75 HB2 LEU 75 -5.376 -14.052 -1.099 581 HB3 LEU 75 HB1 LEU 75 -3.951 -14.196 -0.089 582 HG LEU 75 HG LEU 75 -4.110 -12.522 -2.597 583 HD11 LEU 75 HD11 LEU 75 -4.282 -11.767 0.310 584 HD12 LEU 75 HD12 LEU 75 -5.541 -11.594 -0.913 585 HD13 LEU 75 HD13 LEU 75 -4.070 -10.626 -1.016 586 HD21 LEU 75 HD21 LEU 75 -1.990 -12.774 -0.467 587 HD22 LEU 75 HD22 LEU 75 -1.996 -11.575 -1.759 588 HD23 LEU 75 HD23 LEU 75 -1.857 -13.289 -2.149 589 H LYS 76 H LYS 76 -2.420 -16.961 -0.742 590 HA LYS 76 HA LYS 76 -4.500 -18.988 -0.713 591 HB2 LYS 76 HB2 LYS 76 -1.676 -19.116 0.361 592 HB3 LYS 76 HB1 LYS 76 -2.751 -20.477 0.062 593 HG2 LYS 76 HG2 LYS 76 -2.669 -20.102 -2.306 594 HG3 LYS 76 HG1 LYS 76 -1.748 -18.614 -2.077 595 HD2 LYS 76 HD2 LYS 76 0.050 -19.987 -1.020 596 HD3 LYS 76 HD1 LYS 76 -0.851 -21.428 -1.489 597 HE2 LYS 76 HE2 LYS 76 0.213 -19.317 -3.360 598 HE3 LYS 76 HE1 LYS 76 0.919 -20.908 -3.094 599 HZ1 LYS 76 HZ1 LYS 76 -1.184 -21.874 -3.917 600 HZ2 LYS 76 HZ2 LYS 76 -0.381 -20.950 -5.080 601 HZ3 LYS 76 HZ3 LYS 76 -1.734 -20.318 -4.290 602 HA PRO 77 HA PRO 77 -5.901 -17.680 3.339 603 HB2 PRO 77 HB2 PRO 77 -7.164 -20.362 3.294 604 HB3 PRO 77 HB1 PRO 77 -7.897 -18.778 3.564 605 HG2 PRO 77 HG2 PRO 77 -8.254 -20.078 1.266 606 HG3 PRO 77 HG1 PRO 77 -8.051 -18.316 1.300 607 HD2 PRO 77 HD2 PRO 77 -6.083 -20.440 0.548 608 HD3 PRO 77 HD1 PRO 77 -6.357 -18.843 -0.179 609 H GLY 78 H GLY 78 -4.646 -17.791 5.069 610 HA2 GLY 78 HA2 GLY 78 -3.951 -19.016 7.015 611 HA3 GLY 78 HA1 GLY 78 -3.758 -20.438 6.000 612 H VAL 79 H VAL 79 -2.512 -18.349 4.027 613 HA VAL 79 HA VAL 79 0.206 -18.707 5.034 614 HB VAL 79 HB VAL 79 -0.773 -17.769 2.326 615 HG11 VAL 79 HG11 VAL 79 1.424 -16.865 2.800 616 HG12 VAL 79 HG12 VAL 79 1.537 -18.144 1.589 617 HG13 VAL 79 HG13 VAL 79 2.007 -18.467 3.257 618 HG21 VAL 79 HG21 VAL 79 0.338 -20.427 3.205 619 HG22 VAL 79 HG22 VAL 79 -0.007 -19.966 1.540 620 HG23 VAL 79 HG23 VAL 79 -1.322 -20.096 2.710 621 H VAL 80 H VAL 80 1.362 -17.075 5.849 622 HA VAL 80 HA VAL 80 0.183 -14.476 6.110 623 HB VAL 80 HB VAL 80 1.500 -15.387 7.944 624 HG11 VAL 80 HG11 VAL 80 3.772 -15.361 5.980 625 HG12 VAL 80 HG12 VAL 80 3.118 -16.733 6.871 626 HG13 VAL 80 HG13 VAL 80 4.001 -15.469 7.723 627 HG21 VAL 80 HG21 VAL 80 2.779 -12.950 6.715 628 HG22 VAL 80 HG22 VAL 80 2.945 -13.454 8.397 629 HG23 VAL 80 HG23 VAL 80 1.366 -12.979 7.772 630 H TYR 81 H TYR 81 0.503 -12.720 4.890 631 HA TYR 81 HA TYR 81 2.665 -12.813 2.888 632 HB2 TYR 81 HB2 TYR 81 -0.147 -11.757 2.606 633 HB3 TYR 81 HB1 TYR 81 1.138 -11.379 1.467 634 HD1 TYR 81 HD1 TYR 81 -1.306 -13.832 2.522 635 HD2 TYR 81 HD2 TYR 81 2.132 -13.208 0.095 636 HE1 TYR 81 HE1 TYR 81 -1.847 -15.861 1.241 637 HE2 TYR 81 HE2 TYR 81 1.603 -15.236 -1.187 638 HH TYR 81 HH TYR 81 0.346 -17.336 -0.873 639 H GLU 82 H GLU 82 3.604 -10.865 2.294 640 HA GLU 82 HA GLU 82 3.365 -8.669 4.235 641 HB2 GLU 82 HB2 GLU 82 5.516 -9.543 2.317 642 HB3 GLU 82 HB1 GLU 82 5.494 -7.903 2.946 643 HG2 GLU 82 HG2 GLU 82 5.478 -10.307 4.735 644 HG3 GLU 82 HG1 GLU 82 6.967 -9.580 4.134 645 H GLY 83 H GLY 83 2.348 -6.850 3.608 646 HA2 GLY 83 HA2 GLY 83 1.888 -6.505 0.708 647 HA3 GLY 83 HA1 GLY 83 0.686 -6.110 1.928 648 H GLN 84 H GLN 84 2.130 -4.517 -0.182 649 HA GLN 84 HA GLN 84 2.816 -2.289 1.613 650 HB2 GLN 84 HB2 GLN 84 4.219 -2.893 -0.996 651 HB3 GLN 84 HB1 GLN 84 4.564 -1.556 0.090 652 HG2 GLN 84 HG2 GLN 84 5.279 -3.154 1.807 653 HG3 GLN 84 HG1 GLN 84 4.974 -4.479 0.683 654 HE21 GLN 84 HE21 GLN 84 6.279 -4.664 -1.166 655 HE22 GLN 84 HE22 GLN 84 7.853 -3.955 -1.234 656 H LEU 85 H LEU 85 1.527 -0.616 1.271 657 HA LEU 85 HA LEU 85 0.207 -0.345 -1.338 658 HB2 LEU 85 HB2 LEU 85 -1.164 -0.395 0.788 659 HB3 LEU 85 HB1 LEU 85 -0.414 1.121 1.233 660 HG LEU 85 HG LEU 85 -2.739 1.277 0.258 661 HD11 LEU 85 HD11 LEU 85 -1.204 3.204 0.342 662 HD12 LEU 85 HD12 LEU 85 -2.296 3.255 -1.042 663 HD13 LEU 85 HD13 LEU 85 -0.614 2.774 -1.265 664 HD21 LEU 85 HD21 LEU 85 -1.304 0.621 -2.308 665 HD22 LEU 85 HD22 LEU 85 -2.988 1.116 -2.144 666 HD23 LEU 85 HD23 LEU 85 -2.455 -0.425 -1.477 667 H ILE 86 H ILE 86 1.366 0.850 -2.689 668 HA ILE 86 HA ILE 86 2.986 3.055 -1.624 669 HB ILE 86 HB ILE 86 3.042 1.962 -4.433 670 HG12 ILE 86 HG12 ILE 86 4.921 1.154 -2.219 671 HG13 ILE 86 HG11 ILE 86 3.464 0.237 -2.579 672 HG21 ILE 86 HG21 ILE 86 5.093 3.472 -2.810 673 HG22 ILE 86 HG22 ILE 86 4.075 4.163 -4.074 674 HG23 ILE 86 HG23 ILE 86 5.278 2.939 -4.481 675 HD11 ILE 86 HD11 ILE 86 5.477 -0.700 -3.616 676 HD12 ILE 86 HD12 ILE 86 5.673 0.791 -4.539 677 HD13 ILE 86 HD13 ILE 86 4.255 -0.229 -4.797 678 H SER 87 H SER 87 1.826 4.889 -1.524 679 HA SER 87 HA SER 87 -0.160 5.471 -3.556 680 HB2 SER 87 HB2 SER 87 -0.437 7.588 -2.101 681 HB3 SER 87 HB1 SER 87 -0.913 6.040 -1.406 682 HG SER 87 HG SER 87 0.896 7.775 -0.503 683 H ILE 88 H ILE 88 0.462 6.319 -5.398 684 HA ILE 88 HA ILE 88 2.854 7.999 -5.542 685 HB ILE 88 HB ILE 88 1.082 7.072 -7.809 686 HG12 ILE 88 HG12 ILE 88 1.978 5.118 -6.625 687 HG13 ILE 88 HG11 ILE 88 2.716 5.288 -8.212 688 HG21 ILE 88 HG21 ILE 88 3.063 7.529 -9.195 689 HG22 ILE 88 HG22 ILE 88 3.902 8.138 -7.768 690 HG23 ILE 88 HG23 ILE 88 2.469 8.970 -8.371 691 HD11 ILE 88 HD11 ILE 88 3.965 6.100 -5.599 692 HD12 ILE 88 HD12 ILE 88 4.708 6.233 -7.193 693 HD13 ILE 88 HD13 ILE 88 4.340 4.645 -6.523 694 H GLN 89 H GLN 89 2.532 10.134 -5.206 695 HA GLN 89 HA GLN 89 -0.058 11.252 -5.988 696 HB2 GLN 89 HB2 GLN 89 2.047 12.203 -4.072 697 HB3 GLN 89 HB1 GLN 89 0.757 13.264 -4.628 698 HG2 GLN 89 HG2 GLN 89 -0.882 11.584 -3.809 699 HG3 GLN 89 HG1 GLN 89 0.461 10.678 -3.120 700 HE21 GLN 89 HE21 GLN 89 1.914 13.080 -2.325 701 HE22 GLN 89 HE22 GLN 89 1.082 13.699 -0.942 702 H GLN 90 H GLN 90 -0.080 13.474 -6.823 703 HA GLN 90 HA GLN 90 0.856 13.494 -9.377 704 HB2 GLN 90 HB2 GLN 90 -0.934 14.921 -8.385 705 HB3 GLN 90 HB1 GLN 90 0.319 15.961 -7.729 706 HG2 GLN 90 HG2 GLN 90 1.037 16.586 -9.919 707 HG3 GLN 90 HG1 GLN 90 -0.036 15.399 -10.658 708 HE21 GLN 90 HE21 GLN 90 0.187 18.499 -9.128 709 HE22 GLN 90 HE22 GLN 90 -1.429 19.013 -9.474 710 H TYR 91 H TYR 91 2.441 15.017 -6.595 711 HA TYR 91 HA TYR 91 4.471 16.239 -8.231 712 HB2 TYR 91 HB2 TYR 91 4.043 16.081 -5.251 713 HB3 TYR 91 HB1 TYR 91 5.444 16.869 -5.969 714 HD1 TYR 91 HD1 TYR 91 5.324 19.104 -6.595 715 HD2 TYR 91 HD2 TYR 91 1.715 16.931 -6.012 716 HE1 TYR 91 HE1 TYR 91 4.038 21.180 -6.865 717 HE2 TYR 91 HE2 TYR 91 0.417 19.003 -6.281 718 HH TYR 91 HH TYR 91 1.702 21.816 -7.562 719 H GLY 92 H GLY 92 4.141 13.165 -7.837 720 HA2 GLY 92 HA2 GLY 92 5.657 11.449 -8.132 721 HA3 GLY 92 HA1 GLY 92 6.954 12.632 -8.044 722 H HIS 93 H HIS 93 4.687 12.643 -5.501 723 HA HIS 93 HA HIS 93 6.709 11.786 -3.617 724 HB2 HIS 93 HB2 HIS 93 4.745 13.640 -3.465 725 HB3 HIS 93 HB1 HIS 93 3.921 12.273 -2.725 726 HD1 HIS 93 HD1 HIS 93 4.403 11.863 -0.294 727 HD2 HIS 93 HD2 HIS 93 7.233 14.327 -2.094 728 HE1 HIS 93 HE1 HIS 93 5.816 12.764 1.573 729 HE2 HIS 93 HE2 HIS 93 7.394 14.385 0.482 730 H GLN 94 H GLN 94 6.929 9.711 -3.030 731 HA GLN 94 HA GLN 94 4.633 7.918 -3.471 732 HB2 GLN 94 HB2 GLN 94 7.563 7.176 -3.495 733 HB3 GLN 94 HB1 GLN 94 6.210 6.129 -3.895 734 HG2 GLN 94 HG2 GLN 94 5.709 7.514 -5.841 735 HG3 GLN 94 HG1 GLN 94 7.064 8.563 -5.441 736 HE21 GLN 94 HE21 GLN 94 6.610 7.010 -7.853 737 HE22 GLN 94 HE22 GLN 94 7.963 5.944 -8.005 738 H GLU 95 H GLU 95 3.756 7.195 -1.680 739 HA GLU 95 HA GLU 95 5.457 6.873 0.698 740 HB2 GLU 95 HB2 GLU 95 2.697 7.825 0.325 741 HB3 GLU 95 HB1 GLU 95 2.912 6.695 1.653 742 HG2 GLU 95 HG2 GLU 95 3.100 8.939 2.466 743 HG3 GLU 95 HG1 GLU 95 4.666 8.142 2.575 744 H VAL 96 H VAL 96 5.989 4.856 1.107 745 HA VAL 96 HA VAL 96 4.289 2.701 0.096 746 HB VAL 96 HB VAL 96 7.053 2.511 1.309 747 HG11 VAL 96 HG11 VAL 96 5.435 0.499 -0.253 748 HG12 VAL 96 HG12 VAL 96 5.766 0.448 1.478 749 HG13 VAL 96 HG13 VAL 96 7.087 0.274 0.322 750 HG21 VAL 96 HG21 VAL 96 7.814 2.169 -1.033 751 HG22 VAL 96 HG22 VAL 96 7.198 3.791 -0.720 752 HG23 VAL 96 HG23 VAL 96 6.199 2.622 -1.584 753 H THR 97 H THR 97 2.716 2.234 1.480 754 HA THR 97 HA THR 97 3.227 2.296 4.354 755 HB THR 97 HB THR 97 0.624 1.600 2.991 756 HG1 THR 97 HG1 THR 97 1.771 3.796 2.549 757 HG21 THR 97 HG21 THR 97 1.285 2.745 5.707 758 HG22 THR 97 HG22 THR 97 0.740 1.101 5.375 759 HG23 THR 97 HG23 THR 97 -0.342 2.464 5.088 760 H ARG 98 H ARG 98 4.137 0.507 5.162 761 HA ARG 98 HA ARG 98 3.747 -2.037 3.811 762 HB2 ARG 98 HB2 ARG 98 5.552 -1.216 6.083 763 HB3 ARG 98 HB1 ARG 98 5.447 -2.860 5.475 764 HG2 ARG 98 HG2 ARG 98 6.078 -1.929 3.216 765 HG3 ARG 98 HG1 ARG 98 6.452 -0.419 4.046 766 HD2 ARG 98 HD2 ARG 98 8.457 -1.774 3.755 767 HD3 ARG 98 HD1 ARG 98 8.060 -1.593 5.463 768 HE ARG 98 HE ARG 98 6.854 -3.934 4.731 769 HH11 ARG 98 HH11 ARG 98 10.126 -2.707 4.575 770 HH12 ARG 98 HH12 ARG 98 10.855 -4.269 4.753 771 HH21 ARG 98 HH21 ARG 98 7.807 -5.999 4.986 772 HH22 ARG 98 HH22 ARG 98 9.540 -6.141 4.983 773 H PHE 99 H PHE 99 2.545 -3.650 4.503 774 HA PHE 99 HA PHE 99 1.723 -3.782 7.290 775 HB2 PHE 99 HB2 PHE 99 -0.649 -4.133 6.687 776 HB3 PHE 99 HB1 PHE 99 -0.094 -2.520 6.268 777 HD1 PHE 99 HD1 PHE 99 0.380 -1.977 3.876 778 HD2 PHE 99 HD2 PHE 99 -1.499 -5.609 5.054 779 HE1 PHE 99 HE1 PHE 99 -0.454 -2.283 1.585 780 HE2 PHE 99 HE2 PHE 99 -2.333 -5.923 2.760 781 HZ PHE 99 HZ PHE 99 -1.811 -4.259 1.022 782 H ASP 100 H ASP 100 0.252 -5.884 7.447 783 HA ASP 100 HA ASP 100 1.246 -7.986 5.686 784 HB2 ASP 100 HB2 ASP 100 1.904 -9.413 7.577 785 HB3 ASP 100 HB1 ASP 100 2.860 -7.936 7.549 786 H PHE 101 H PHE 101 -0.046 -9.925 5.805 787 HA PHE 101 HA PHE 101 -2.452 -9.786 7.407 788 HB2 PHE 101 HB2 PHE 101 -3.940 -10.090 5.416 789 HB3 PHE 101 HB1 PHE 101 -3.220 -8.495 5.572 790 HD1 PHE 101 HD1 PHE 101 -1.550 -7.724 4.000 791 HD2 PHE 101 HD2 PHE 101 -3.343 -11.561 3.602 792 HE1 PHE 101 HE1 PHE 101 -0.733 -7.860 1.684 793 HE2 PHE 101 HE2 PHE 101 -2.521 -11.707 1.291 794 HZ PHE 101 HZ PHE 101 -1.218 -9.855 0.326 795 H THR 102 H THR 102 -3.542 -11.677 7.624 796 HA THR 102 HA THR 102 -2.779 -14.058 6.164 797 HB THR 102 HB THR 102 -2.531 -14.114 9.175 798 HG1 THR 102 HG1 THR 102 -0.703 -13.232 7.277 799 HG21 THR 102 HG21 THR 102 -2.906 -16.252 8.047 800 HG22 THR 102 HG22 THR 102 -1.282 -16.182 8.731 801 HG23 THR 102 HG23 THR 102 -1.521 -15.952 6.999 802 H THR 103 H THR 103 -4.386 -12.769 9.026 803 HA THR 103 HA THR 103 -6.976 -13.656 8.129 804 HB THR 103 HB THR 103 -5.822 -14.732 10.722 805 HG1 THR 103 HG1 THR 103 -5.825 -15.707 8.208 806 HG21 THR 103 HG21 THR 103 -8.556 -15.126 9.495 807 HG22 THR 103 HG22 THR 103 -8.200 -14.162 10.928 808 HG23 THR 103 HG23 THR 103 -7.958 -15.909 10.958 809 H THR 104 H THR 104 -8.408 -12.114 8.718 810 HA THR 104 HA THR 104 -7.498 -9.813 10.107 811 HB THR 104 HB THR 104 -10.378 -10.468 9.477 812 HG1 THR 104 HG1 THR 104 -9.194 -8.949 7.590 813 HG21 THR 104 HG21 THR 104 -8.866 -7.856 9.604 814 HG22 THR 104 HG22 THR 104 -9.957 -8.466 10.847 815 HG23 THR 104 HG23 THR 104 -10.583 -8.048 9.253 816 H SER 105 H SER 105 -6.927 -10.367 12.199 817 HA SER 105 HA SER 105 -8.752 -11.803 13.902 818 HB2 SER 105 HB2 SER 105 -6.889 -11.223 15.627 819 HB3 SER 105 HB1 SER 105 -6.528 -12.361 14.328 820 HG SER 105 HG SER 105 -5.652 -9.725 14.700 821 H THR 106 H THR 106 -10.195 -9.758 13.193 822 HA THR 106 HA THR 106 -9.967 -7.629 15.170 823 HB THR 106 HB THR 106 -10.549 -6.937 12.912 824 HG1 THR 106 HG1 THR 106 -11.530 -5.688 14.492 825 HG21 THR 106 HG21 THR 106 -12.948 -8.743 13.201 826 HG22 THR 106 HG22 THR 106 -11.584 -8.986 12.111 827 HG23 THR 106 HG23 THR 106 -12.672 -7.620 11.871 828 H SER 107 H SER 107 -11.423 -7.315 16.823 829 HA SER 107 HA SER 107 -12.838 -7.900 18.492 830 HB2 SER 107 HB2 SER 107 -14.377 -9.168 16.213 831 HB3 SER 107 HB1 SER 107 -15.025 -8.836 17.819 832 HG SER 107 HG SER 107 -15.059 -7.219 15.798 833 H THR 108 H THR 108 -10.845 -9.366 18.906 834 HA THR 108 HA THR 108 -11.837 -12.120 19.158 835 HB THR 108 HB THR 108 -10.040 -12.221 17.606 836 HG1 THR 108 HG1 THR 108 -9.881 -13.886 19.075 837 HG21 THR 108 HG21 THR 108 -8.387 -10.627 19.566 838 HG22 THR 108 HG22 THR 108 -9.002 -10.058 18.016 839 HG23 THR 108 HG23 THR 108 -7.791 -11.339 18.067 840 HA PRO 109 HA PRO 109 -11.168 -10.672 23.438 841 HB2 PRO 109 HB2 PRO 109 -13.480 -11.535 24.454 842 HB3 PRO 109 HB1 PRO 109 -13.407 -10.058 23.486 843 HG2 PRO 109 HG2 PRO 109 -14.312 -12.796 22.709 844 HG3 PRO 109 HG1 PRO 109 -15.003 -11.224 22.276 845 HD2 PRO 109 HD2 PRO 109 -13.318 -12.722 20.661 846 HD3 PRO 109 HD1 PRO 109 -13.595 -10.977 20.499 847 H GLY 110 H GLY 110 -9.553 -12.532 22.952 848 HA2 GLY 110 HA2 GLY 110 -10.239 -15.187 23.685 849 HA3 GLY 110 HA1 GLY 110 -8.613 -14.533 23.565 850 H SER 111 H SER 111 -11.072 -15.565 25.640 851 HA SER 111 HA SER 111 -10.283 -14.189 27.997 852 HB2 SER 111 HB2 SER 111 -11.733 -16.838 27.763 853 HB3 SER 111 HB1 SER 111 -11.727 -15.757 29.157 854 HG SER 111 HG SER 111 -12.521 -14.218 27.286 855 H ARG 112 H ARG 112 -8.052 -14.381 28.177 856 HA ARG 112 HA ARG 112 -6.762 -16.941 28.152 857 HB2 ARG 112 HB2 ARG 112 -5.748 -14.220 28.980 858 HB3 ARG 112 HB1 ARG 112 -4.750 -15.662 28.876 859 HG2 ARG 112 HG2 ARG 112 -5.428 -15.803 26.448 860 HG3 ARG 112 HG1 ARG 112 -6.114 -14.189 26.644 861 HD2 ARG 112 HD2 ARG 112 -3.852 -14.075 25.738 862 HD3 ARG 112 HD1 ARG 112 -3.930 -13.342 27.340 863 HE ARG 112 HE ARG 112 -3.208 -15.975 27.739 864 HH11 ARG 112 HH11 ARG 112 -1.874 -13.215 26.051 865 HH12 ARG 112 HH12 ARG 112 -0.229 -13.720 26.269 866 HH21 ARG 112 HH21 ARG 112 -1.053 -16.662 27.998 867 HH22 ARG 112 HH22 ARG 112 0.237 -15.687 27.367 868 H SER 113 H SER 113 -8.424 -17.661 29.807 869 HA SER 113 HA SER 113 -7.966 -16.922 32.534 870 HB2 SER 113 HB2 SER 113 -10.162 -17.742 31.723 871 HB3 SER 113 HB1 SER 113 -9.436 -19.315 31.393 872 HG SER 113 HG SER 113 -9.286 -18.155 33.963 873 H HIS 114 H HIS 114 -6.598 -19.163 30.305 874 HA HIS 114 HA HIS 114 -5.367 -20.786 32.376 875 HB2 HIS 114 HB2 HIS 114 -5.079 -20.854 29.366 876 HB3 HIS 114 HB1 HIS 114 -4.310 -21.986 30.469 877 HD1 HIS 114 HD1 HIS 114 -7.600 -21.142 28.924 878 HD2 HIS 114 HD2 HIS 114 -6.019 -23.917 31.586 879 HE1 HIS 114 HE1 HIS 114 -9.366 -22.908 29.189 880 HE2 HIS 114 HE2 HIS 114 -8.340 -24.640 30.702 881 H HIS 115 H HIS 115 -4.571 -18.423 32.985 882 HA HIS 115 HA HIS 115 -1.840 -18.177 31.904 883 HB2 HIS 115 HB2 HIS 115 -3.467 -16.292 31.303 884 HB3 HIS 115 HB1 HIS 115 -3.457 -15.875 33.012 885 HD1 HIS 115 HD1 HIS 115 -1.189 -14.935 33.981 886 HD2 HIS 115 HD2 HIS 115 -1.263 -15.474 29.860 887 HE1 HIS 115 HE1 HIS 115 0.789 -13.662 33.095 888 HE2 HIS 115 HE2 HIS 115 0.616 -13.857 30.589 889 H HIS 116 H HIS 116 -1.261 -19.663 33.609 890 HA HIS 116 HA HIS 116 -1.361 -18.506 36.311 891 HB2 HIS 116 HB2 HIS 116 -1.023 -21.340 35.342 892 HB3 HIS 116 HB1 HIS 116 -0.613 -20.874 36.986 893 HD1 HIS 116 HD1 HIS 116 -3.091 -22.690 35.644 894 HD2 HIS 116 HD2 HIS 116 -3.229 -19.099 37.731 895 HE1 HIS 116 HE1 HIS 116 -5.406 -22.560 36.616 896 HE2 HIS 116 HE2 HIS 116 -5.436 -20.431 37.961 897 H HIS 117 H HIS 117 0.380 -17.073 35.241 898 HA HIS 117 HA HIS 117 2.974 -18.307 34.938 899 HB2 HIS 117 HB2 HIS 117 2.282 -16.392 33.523 900 HB3 HIS 117 HB1 HIS 117 2.218 -15.374 34.955 901 HD1 HIS 117 HD1 HIS 117 4.723 -17.282 32.849 902 HD2 HIS 117 HD2 HIS 117 4.600 -14.235 35.672 903 HE1 HIS 117 HE1 HIS 117 7.047 -16.330 32.917 904 HE2 HIS 117 HE2 HIS 117 6.903 -14.383 34.506 905 H HIS 118 H HIS 118 2.814 -19.196 37.177 906 HA HIS 118 HA HIS 118 4.168 -17.342 39.009 907 HB2 HIS 118 HB2 HIS 118 1.879 -19.163 39.787 908 HB3 HIS 118 HB1 HIS 118 2.897 -18.296 40.929 909 HD1 HIS 118 HD1 HIS 118 -0.272 -18.039 39.396 910 HD2 HIS 118 HD2 HIS 118 2.745 -15.318 40.264 911 HE1 HIS 118 HE1 HIS 118 -1.375 -15.784 39.379 912 HE2 HIS 118 HE2 HIS 118 0.510 -14.146 39.692 913 H HIS 119 H HIS 119 4.633 -19.845 37.223 914 HA HIS 119 HA HIS 119 6.180 -21.321 39.239 915 HB2 HIS 119 HB2 HIS 119 4.594 -22.526 36.957 916 HB3 HIS 119 HB1 HIS 119 5.732 -23.417 37.960 917 HD1 HIS 119 HD1 HIS 119 5.032 -23.792 40.476 918 HD2 HIS 119 HD2 HIS 119 2.082 -22.170 38.041 919 HE1 HIS 119 HE1 HIS 119 2.884 -24.059 41.750 920 HE2 HIS 119 HE2 HIS 119 1.140 -22.925 40.330 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 6.496 5.346 12.150 2 H2 GLY 1 HT2 GLY 1 6.235 3.762 12.662 3 H3 GLY 1 HT3 GLY 1 7.708 4.525 12.991 4 HA2 GLY 1 HA1 GLY 1 6.324 4.446 14.964 5 HA3 GLY 1 HA2 GLY 1 6.625 6.097 14.444 6 H SER 2 H SER 2 4.601 6.106 15.975 7 HA SER 2 HA SER 2 2.113 5.348 14.824 8 HB2 SER 2 HB2 SER 2 2.698 7.353 17.012 9 HB3 SER 2 HB1 SER 2 1.122 6.653 16.648 10 HG SER 2 HG SER 2 1.690 5.155 17.991 11 H GLN 3 H GLN 3 3.869 8.421 15.055 12 HA GLN 3 HA GLN 3 1.806 9.805 13.580 13 HB2 GLN 3 HB2 GLN 3 4.500 10.737 14.576 14 HB3 GLN 3 HB1 GLN 3 3.297 11.769 13.816 15 HG2 GLN 3 HG2 GLN 3 2.920 10.248 16.386 16 HG3 GLN 3 HG1 GLN 3 3.286 11.968 16.252 17 HE21 GLN 3 HE21 GLN 3 1.696 13.379 15.543 18 HE22 GLN 3 HE22 GLN 3 0.026 12.936 15.476 19 H THR 4 H THR 4 1.669 9.385 11.501 20 HA THR 4 HA THR 4 3.823 8.494 9.887 21 HB THR 4 HB THR 4 1.220 9.666 8.897 22 HG1 THR 4 HG1 THR 4 1.735 6.998 9.787 23 HG21 THR 4 HG21 THR 4 2.885 9.137 7.179 24 HG22 THR 4 HG22 THR 4 1.514 8.031 7.088 25 HG23 THR 4 HG23 THR 4 3.030 7.499 7.816 26 H THR 5 H THR 5 5.350 9.657 8.907 27 HA THR 5 HA THR 5 5.503 12.468 9.210 28 HB THR 5 HB THR 5 7.512 12.288 7.724 29 HG1 THR 5 HG1 THR 5 7.324 10.611 6.413 30 HG21 THR 5 HG21 THR 5 7.366 10.284 9.978 31 HG22 THR 5 HG22 THR 5 7.705 12.006 10.149 32 HG23 THR 5 HG23 THR 5 8.843 10.963 9.294 33 H ALA 6 H ALA 6 4.414 10.382 6.634 34 HA ALA 6 HA ALA 6 3.945 12.689 4.894 35 HB1 ALA 6 HB1 ALA 6 3.574 9.741 4.364 36 HB2 ALA 6 HB2 ALA 6 4.951 10.720 3.857 37 HB3 ALA 6 HB3 ALA 6 3.351 11.034 3.187 38 HA PRO 7 HA PRO 7 -0.036 12.692 6.987 39 HB2 PRO 7 HB2 PRO 7 -0.977 14.959 5.805 40 HB3 PRO 7 HB1 PRO 7 0.144 14.965 7.169 41 HG2 PRO 7 HG2 PRO 7 0.714 15.292 4.249 42 HG3 PRO 7 HG1 PRO 7 1.375 16.192 5.627 43 HD2 PRO 7 HD2 PRO 7 2.756 14.223 4.416 44 HD3 PRO 7 HD1 PRO 7 2.879 14.520 6.161 45 H ASP 8 H ASP 8 0.535 12.677 3.556 46 HA ASP 8 HA ASP 8 -2.286 12.345 2.933 47 HB2 ASP 8 HB2 ASP 8 0.124 12.307 1.100 48 HB3 ASP 8 HB1 ASP 8 -1.559 12.319 0.584 49 H ALA 9 H ALA 9 0.025 10.375 4.093 50 HA ALA 9 HA ALA 9 -0.409 8.064 2.420 51 HB1 ALA 9 HB1 ALA 9 1.114 6.932 3.890 52 HB2 ALA 9 HB2 ALA 9 0.994 8.228 5.078 53 HB3 ALA 9 HB3 ALA 9 1.762 8.529 3.521 54 HA PRO 10 HA PRO 10 -3.859 6.417 4.776 55 HB2 PRO 10 HB2 PRO 10 -3.022 3.770 3.848 56 HB3 PRO 10 HB1 PRO 10 -4.502 4.658 3.487 57 HG2 PRO 10 HG2 PRO 10 -2.562 4.230 1.650 58 HG3 PRO 10 HG1 PRO 10 -3.602 5.663 1.634 59 HD2 PRO 10 HD2 PRO 10 -0.784 5.385 2.565 60 HD3 PRO 10 HD1 PRO 10 -1.549 6.714 1.714 61 HA PRO 11 HA PRO 11 -1.443 5.457 8.428 62 HB2 PRO 11 HB2 PRO 11 -4.147 4.853 9.501 63 HB3 PRO 11 HB1 PRO 11 -2.896 5.927 10.137 64 HG2 PRO 11 HG2 PRO 11 -5.066 6.913 8.947 65 HG3 PRO 11 HG1 PRO 11 -3.475 7.663 8.717 66 HD2 PRO 11 HD2 PRO 11 -5.027 5.900 6.869 67 HD3 PRO 11 HD1 PRO 11 -4.008 7.307 6.501 68 H ASP 12 H ASP 12 -4.131 3.379 7.377 69 HA ASP 12 HA ASP 12 -2.483 1.035 7.679 70 HB2 ASP 12 HB2 ASP 12 -3.196 1.158 9.950 71 HB3 ASP 12 HB1 ASP 12 -4.852 1.522 9.483 72 HA PRO 13 HA PRO 13 -5.477 -0.004 4.445 73 HB2 PRO 13 HB2 PRO 13 -3.578 -2.043 3.660 74 HB3 PRO 13 HB1 PRO 13 -4.070 -0.603 2.768 75 HG2 PRO 13 HG2 PRO 13 -1.569 -0.957 3.815 76 HG3 PRO 13 HG1 PRO 13 -2.306 0.630 3.537 77 HD2 PRO 13 HD2 PRO 13 -2.048 -0.920 6.084 78 HD3 PRO 13 HD1 PRO 13 -1.874 0.826 5.797 79 H THR 14 H THR 14 -7.107 -1.187 5.261 80 HA THR 14 HA THR 14 -6.463 -3.681 6.691 81 HB THR 14 HB THR 14 -9.178 -2.418 6.774 82 HG1 THR 14 HG1 THR 14 -6.835 -1.520 8.136 83 HG21 THR 14 HG21 THR 14 -8.831 -4.605 7.812 84 HG22 THR 14 HG22 THR 14 -9.185 -3.381 9.031 85 HG23 THR 14 HG23 THR 14 -7.529 -3.939 8.796 86 H VAL 15 H VAL 15 -7.435 -5.614 6.011 87 HA VAL 15 HA VAL 15 -8.705 -5.402 3.402 88 HB VAL 15 HB VAL 15 -7.774 -7.362 2.748 89 HG11 VAL 15 HG11 VAL 15 -6.023 -5.722 3.111 90 HG12 VAL 15 HG12 VAL 15 -5.416 -7.358 3.366 91 HG13 VAL 15 HG13 VAL 15 -5.783 -6.328 4.749 92 HG21 VAL 15 HG21 VAL 15 -8.635 -8.704 4.611 93 HG22 VAL 15 HG22 VAL 15 -7.261 -8.182 5.587 94 HG23 VAL 15 HG23 VAL 15 -6.996 -9.149 4.130 95 H ASP 16 H ASP 16 -10.645 -6.190 2.980 96 HA ASP 16 HA ASP 16 -12.102 -7.532 5.168 97 HB2 ASP 16 HB2 ASP 16 -13.141 -5.479 3.194 98 HB3 ASP 16 HB1 ASP 16 -14.160 -6.406 4.285 99 H GLN 17 H GLN 17 -14.177 -8.559 4.205 100 HA GLN 17 HA GLN 17 -15.130 -10.157 2.913 101 HB2 GLN 17 HB2 GLN 17 -13.937 -8.447 0.740 102 HB3 GLN 17 HB1 GLN 17 -15.118 -9.696 0.466 103 HG2 GLN 17 HG2 GLN 17 -15.565 -7.297 2.215 104 HG3 GLN 17 HG1 GLN 17 -16.066 -7.417 0.532 105 HE21 GLN 17 HE21 GLN 17 -18.219 -7.161 1.038 106 HE22 GLN 17 HE22 GLN 17 -19.154 -8.400 1.800 107 H VAL 18 H VAL 18 -13.466 -11.622 3.861 108 HA VAL 18 HA VAL 18 -11.336 -12.448 2.098 109 HB VAL 18 HB VAL 18 -10.924 -14.228 3.825 110 HG11 VAL 18 HG11 VAL 18 -11.023 -11.375 4.802 111 HG12 VAL 18 HG12 VAL 18 -9.725 -12.108 3.860 112 HG13 VAL 18 HG13 VAL 18 -10.049 -12.668 5.501 113 HG21 VAL 18 HG21 VAL 18 -12.046 -14.046 5.979 114 HG22 VAL 18 HG22 VAL 18 -13.212 -14.389 4.702 115 HG23 VAL 18 HG23 VAL 18 -13.072 -12.757 5.353 116 H ASP 19 H ASP 19 -11.645 -13.714 0.448 117 HA ASP 19 HA ASP 19 -13.943 -15.538 0.399 118 HB2 ASP 19 HB2 ASP 19 -13.411 -13.843 -1.470 119 HB3 ASP 19 HB1 ASP 19 -12.087 -14.919 -1.899 120 H ASP 20 H ASP 20 -12.746 -17.377 -1.553 121 HA ASP 20 HA ASP 20 -11.552 -19.126 0.351 122 HB2 ASP 20 HB2 ASP 20 -11.621 -20.793 -1.262 123 HB3 ASP 20 HB1 ASP 20 -12.918 -19.733 -1.791 124 H THR 21 H THR 21 -10.274 -17.118 -2.239 125 HA THR 21 HA THR 21 -7.649 -17.249 -0.998 126 HB THR 21 HB THR 21 -6.697 -17.452 -3.446 127 HG1 THR 21 HG1 THR 21 -9.074 -19.031 -3.650 128 HG21 THR 21 HG21 THR 21 -6.159 -18.982 -1.624 129 HG22 THR 21 HG22 THR 21 -6.411 -19.863 -3.129 130 HG23 THR 21 HG23 THR 21 -7.670 -19.849 -1.896 131 H SER 22 H SER 22 -9.804 -15.217 -1.457 132 HA SER 22 HA SER 22 -8.098 -13.196 -2.715 133 HB2 SER 22 HB2 SER 22 -11.055 -13.488 -3.290 134 HB3 SER 22 HB1 SER 22 -9.999 -12.226 -3.915 135 HG SER 22 HG SER 22 -9.656 -15.006 -4.391 136 H ILE 23 H ILE 23 -8.218 -11.176 -1.819 137 HA ILE 23 HA ILE 23 -10.164 -10.757 0.360 138 HB ILE 23 HB ILE 23 -8.526 -9.659 1.723 139 HG12 ILE 23 HG12 ILE 23 -6.435 -10.222 -0.378 140 HG13 ILE 23 HG11 ILE 23 -7.306 -8.696 -0.301 141 HG21 ILE 23 HG21 ILE 23 -7.316 -12.213 0.672 142 HG22 ILE 23 HG22 ILE 23 -8.581 -12.101 1.896 143 HG23 ILE 23 HG23 ILE 23 -6.971 -11.463 2.230 144 HD11 ILE 23 HD11 ILE 23 -5.164 -9.753 1.425 145 HD12 ILE 23 HD12 ILE 23 -6.433 -8.817 2.217 146 HD13 ILE 23 HD13 ILE 23 -5.499 -8.097 0.893 147 H VAL 24 H VAL 24 -10.570 -8.446 0.791 148 HA VAL 24 HA VAL 24 -9.846 -6.733 -1.498 149 HB VAL 24 HB VAL 24 -12.175 -6.378 0.402 150 HG11 VAL 24 HG11 VAL 24 -11.432 -4.902 -2.122 151 HG12 VAL 24 HG12 VAL 24 -11.330 -4.271 -0.479 152 HG13 VAL 24 HG13 VAL 24 -12.902 -4.653 -1.180 153 HG21 VAL 24 HG21 VAL 24 -12.149 -7.331 -2.459 154 HG22 VAL 24 HG22 VAL 24 -13.588 -6.997 -1.496 155 HG23 VAL 24 HG23 VAL 24 -12.507 -8.314 -1.040 156 H VAL 25 H VAL 25 -8.078 -5.644 -0.908 157 HA VAL 25 HA VAL 25 -7.760 -4.786 1.853 158 HB VAL 25 HB VAL 25 -5.765 -5.715 1.052 159 HG11 VAL 25 HG11 VAL 25 -6.258 -4.177 -1.468 160 HG12 VAL 25 HG12 VAL 25 -6.095 -5.924 -1.235 161 HG13 VAL 25 HG13 VAL 25 -4.687 -4.875 -1.078 162 HG21 VAL 25 HG21 VAL 25 -4.142 -3.885 0.949 163 HG22 VAL 25 HG22 VAL 25 -5.333 -3.647 2.230 164 HG23 VAL 25 HG23 VAL 25 -5.464 -2.737 0.726 165 H ARG 26 H ARG 26 -8.302 -2.863 2.530 166 HA ARG 26 HA ARG 26 -8.865 -0.773 0.530 167 HB2 ARG 26 HB2 ARG 26 -10.282 -1.372 3.130 168 HB3 ARG 26 HB1 ARG 26 -10.645 -0.011 2.078 169 HG2 ARG 26 HG2 ARG 26 -11.386 -1.471 0.338 170 HG3 ARG 26 HG1 ARG 26 -10.839 -2.889 1.231 171 HD2 ARG 26 HD2 ARG 26 -12.506 -2.567 2.905 172 HD3 ARG 26 HD1 ARG 26 -12.947 -0.993 2.241 173 HE ARG 26 HE ARG 26 -13.437 -2.589 0.165 174 HH11 ARG 26 HH11 ARG 26 -14.273 -2.977 3.537 175 HH12 ARG 26 HH12 ARG 26 -15.766 -3.797 3.198 176 HH21 ARG 26 HH21 ARG 26 -15.370 -3.691 -0.284 177 HH22 ARG 26 HH22 ARG 26 -16.381 -4.221 1.026 178 H TRP 27 H TRP 27 -7.899 1.128 0.794 179 HA TRP 27 HA TRP 27 -6.710 1.744 3.413 180 HB2 TRP 27 HB2 TRP 27 -4.862 2.895 2.140 181 HB3 TRP 27 HB1 TRP 27 -4.875 1.142 1.993 182 HD1 TRP 27 HD1 TRP 27 -5.421 4.322 -0.042 183 HE1 TRP 27 HE1 TRP 27 -5.448 3.718 -2.538 184 HE3 TRP 27 HE3 TRP 27 -5.393 -0.770 0.352 185 HZ2 TRP 27 HZ2 TRP 27 -5.449 1.394 -4.136 186 HZ3 TRP 27 HZ3 TRP 27 -5.403 -2.112 -1.709 187 HH2 TRP 27 HH2 TRP 27 -5.430 -1.052 -3.906 188 H SER 28 H SER 28 -7.401 3.613 4.246 189 HA SER 28 HA SER 28 -8.569 5.580 2.398 190 HB2 SER 28 HB2 SER 28 -10.137 4.584 4.067 191 HB3 SER 28 HB1 SER 28 -9.127 5.236 5.356 192 HG SER 28 HG SER 28 -10.965 6.488 3.740 193 H ARG 29 H ARG 29 -7.063 7.071 1.969 194 HA ARG 29 HA ARG 29 -5.337 8.044 4.100 195 HB2 ARG 29 HB2 ARG 29 -4.017 9.084 2.421 196 HB3 ARG 29 HB1 ARG 29 -4.388 7.462 1.872 197 HG2 ARG 29 HG2 ARG 29 -4.699 8.662 -0.043 198 HG3 ARG 29 HG1 ARG 29 -6.341 8.659 0.610 199 HD2 ARG 29 HD2 ARG 29 -6.016 10.839 1.558 200 HD3 ARG 29 HD1 ARG 29 -4.324 10.843 1.069 201 HE ARG 29 HE ARG 29 -6.113 10.505 -1.143 202 HH11 ARG 29 HH11 ARG 29 -4.656 12.866 0.980 203 HH12 ARG 29 HH12 ARG 29 -4.743 14.156 -0.177 204 HH21 ARG 29 HH21 ARG 29 -6.234 12.195 -2.678 205 HH22 ARG 29 HH22 ARG 29 -5.661 13.777 -2.251 206 HA PRO 30 HA PRO 30 -7.786 11.663 4.718 207 HB2 PRO 30 HB2 PRO 30 -5.565 13.259 5.566 208 HB3 PRO 30 HB1 PRO 30 -6.751 12.431 6.569 209 HG2 PRO 30 HG2 PRO 30 -4.070 11.767 6.397 210 HG3 PRO 30 HG1 PRO 30 -5.352 10.698 6.987 211 HD2 PRO 30 HD2 PRO 30 -3.997 10.752 4.336 212 HD3 PRO 30 HD1 PRO 30 -4.627 9.378 5.254 213 H1 MET 31 HT1 MET 31 3.077 31.513 -3.816 214 H2 MET 31 HT2 MET 31 4.531 31.507 -4.677 215 H3 MET 31 HT3 MET 31 4.161 32.803 -3.659 216 HA MET 31 HA MET 31 4.687 30.009 -2.827 217 HB2 MET 31 HB2 MET 31 6.280 32.545 -2.421 218 HB3 MET 31 HB1 MET 31 6.643 31.007 -1.661 219 HG2 MET 31 HG2 MET 31 7.117 30.003 -3.784 220 HG3 MET 31 HG1 MET 31 6.584 31.451 -4.633 221 HE1 MET 31 HE1 MET 31 9.289 29.907 -2.248 222 HE2 MET 31 HE2 MET 31 8.738 31.303 -1.322 223 HE3 MET 31 HE3 MET 31 10.369 31.278 -1.990 224 H ARG 32 H ARG 32 4.364 33.347 -1.571 225 HA ARG 32 HA ARG 32 3.340 32.420 0.946 226 HB2 ARG 32 HB2 ARG 32 3.213 35.193 -0.266 227 HB3 ARG 32 HB1 ARG 32 2.933 34.785 1.422 228 HG2 ARG 32 HG2 ARG 32 5.267 33.987 1.574 229 HG3 ARG 32 HG1 ARG 32 5.524 34.529 -0.084 230 HD2 ARG 32 HD2 ARG 32 4.884 36.820 0.628 231 HD3 ARG 32 HD1 ARG 32 4.799 36.237 2.289 232 HE ARG 32 HE ARG 32 7.249 36.325 0.652 233 HH11 ARG 32 HH11 ARG 32 5.663 36.302 3.781 234 HH12 ARG 32 HH12 ARG 32 7.129 36.601 4.657 235 HH21 ARG 32 HH21 ARG 32 9.160 36.713 1.801 236 HH22 ARG 32 HH22 ARG 32 9.118 36.845 3.531 237 H GLY 33 H GLY 33 2.021 33.804 -2.008 238 HA2 GLY 33 HA2 GLY 33 -0.663 32.934 -1.199 239 HA3 GLY 33 HA1 GLY 33 -0.285 33.973 -2.573 240 H SER 34 H SER 34 -1.915 31.721 -2.846 241 HA SER 34 HA SER 34 -2.200 29.783 -3.990 242 HB2 SER 34 HB2 SER 34 0.310 30.647 -5.452 243 HB3 SER 34 HB1 SER 34 -0.899 29.504 -6.036 244 HG SER 34 HG SER 34 -2.124 31.769 -5.327 245 H ASN 35 H ASN 35 -1.470 28.986 -1.750 246 HA ASN 35 HA ASN 35 1.148 27.819 -1.572 247 HB2 ASN 35 HB2 ASN 35 -1.284 27.620 0.207 248 HB3 ASN 35 HB1 ASN 35 0.248 26.831 0.569 249 HD21 ASN 35 HD21 ASN 35 -1.434 29.859 0.330 250 HD22 ASN 35 HD22 ASN 35 -0.235 30.821 1.122 251 H ALA 36 H ALA 36 -1.696 26.911 -3.054 252 HA ALA 36 HA ALA 36 -0.693 24.161 -3.287 253 HB1 ALA 36 HB1 ALA 36 -2.976 23.326 -3.403 254 HB2 ALA 36 HB2 ALA 36 -3.599 24.959 -3.164 255 HB3 ALA 36 HB3 ALA 36 -2.696 24.162 -1.876 256 HA PRO 37 HA PRO 37 -1.115 26.131 -7.493 257 HB2 PRO 37 HB2 PRO 37 1.352 25.388 -8.373 258 HB3 PRO 37 HB1 PRO 37 1.054 26.911 -7.528 259 HG2 PRO 37 HG2 PRO 37 2.173 24.346 -6.479 260 HG3 PRO 37 HG1 PRO 37 2.663 26.013 -6.126 261 HD2 PRO 37 HD2 PRO 37 1.113 24.530 -4.452 262 HD3 PRO 37 HD1 PRO 37 1.010 26.298 -4.557 263 H GLN 38 H GLN 38 -2.649 24.547 -7.937 264 HA GLN 38 HA GLN 38 -3.568 22.620 -8.681 265 HB2 GLN 38 HB2 GLN 38 -1.872 22.889 -10.525 266 HB3 GLN 38 HB1 GLN 38 -0.800 21.836 -9.611 267 HG2 GLN 38 HG2 GLN 38 -1.902 20.554 -11.305 268 HG3 GLN 38 HG1 GLN 38 -2.502 20.055 -9.725 269 HE21 GLN 38 HE21 GLN 38 -4.416 19.245 -10.518 270 HE22 GLN 38 HE22 GLN 38 -5.673 20.254 -11.143 271 HA PRO 39 HA PRO 39 -2.676 20.873 -4.617 272 HB2 PRO 39 HB2 PRO 39 -5.128 19.356 -5.363 273 HB3 PRO 39 HB1 PRO 39 -4.751 20.231 -3.876 274 HG2 PRO 39 HG2 PRO 39 -6.422 21.270 -5.658 275 HG3 PRO 39 HG1 PRO 39 -5.253 22.297 -4.806 276 HD2 PRO 39 HD2 PRO 39 -5.187 21.267 -7.610 277 HD3 PRO 39 HD1 PRO 39 -4.664 22.839 -6.969 278 H SER 40 H SER 40 -1.687 19.067 -3.924 279 HA SER 40 HA SER 40 -0.818 17.160 -5.880 280 HB2 SER 40 HB2 SER 40 -0.338 17.247 -2.889 281 HB3 SER 40 HB1 SER 40 0.528 16.234 -4.043 282 HG SER 40 HG SER 40 0.444 19.063 -4.239 283 H HIS 41 H HIS 41 -2.205 15.644 -6.525 284 HA HIS 41 HA HIS 41 -3.701 14.170 -4.463 285 HB2 HIS 41 HB2 HIS 41 -4.423 14.836 -7.311 286 HB3 HIS 41 HB1 HIS 41 -5.227 13.545 -6.429 287 HD1 HIS 41 HD1 HIS 41 -7.088 14.210 -4.867 288 HD2 HIS 41 HD2 HIS 41 -4.852 17.459 -6.183 289 HE1 HIS 41 HE1 HIS 41 -8.310 16.247 -4.053 290 HE2 HIS 41 HE2 HIS 41 -6.872 18.193 -4.746 291 H ILE 42 H ILE 42 -3.974 11.898 -4.819 292 HA ILE 42 HA ILE 42 -1.573 10.680 -5.838 293 HB ILE 42 HB ILE 42 -3.998 9.506 -4.476 294 HG12 ILE 42 HG12 ILE 42 -2.251 8.920 -2.733 295 HG13 ILE 42 HG11 ILE 42 -1.130 9.943 -3.618 296 HG21 ILE 42 HG21 ILE 42 -2.801 7.370 -4.437 297 HG22 ILE 42 HG22 ILE 42 -1.524 8.069 -5.433 298 HG23 ILE 42 HG23 ILE 42 -3.153 7.889 -6.085 299 HD11 ILE 42 HD11 ILE 42 -3.702 10.837 -2.340 300 HD12 ILE 42 HD12 ILE 42 -2.569 11.868 -3.217 301 HD13 ILE 42 HD13 ILE 42 -2.076 11.098 -1.708 302 H SER 43 H SER 43 -1.310 9.916 -7.794 303 HA SER 43 HA SER 43 -3.529 9.920 -9.647 304 HB2 SER 43 HB2 SER 43 -0.612 9.264 -10.114 305 HB3 SER 43 HB1 SER 43 -1.820 9.611 -11.353 306 HG SER 43 HG SER 43 -2.028 11.674 -9.950 307 H LYS 44 H LYS 44 -1.366 7.576 -8.132 308 HA LYS 44 HA LYS 44 -3.233 5.464 -8.697 309 HB2 LYS 44 HB2 LYS 44 -1.645 4.007 -9.875 310 HB3 LYS 44 HB1 LYS 44 -1.992 5.462 -10.795 311 HG2 LYS 44 HG2 LYS 44 0.142 6.425 -10.070 312 HG3 LYS 44 HG1 LYS 44 0.485 4.954 -9.150 313 HD2 LYS 44 HD2 LYS 44 0.464 3.643 -11.193 314 HD3 LYS 44 HD1 LYS 44 0.040 5.073 -12.134 315 HE2 LYS 44 HE2 LYS 44 2.564 4.800 -10.509 316 HE3 LYS 44 HE1 LYS 44 2.456 4.442 -12.230 317 HZ1 LYS 44 HZ1 LYS 44 3.298 6.675 -11.798 318 HZ2 LYS 44 HZ2 LYS 44 1.861 7.080 -11.004 319 HZ3 LYS 44 HZ3 LYS 44 1.840 6.720 -12.654 320 H TYR 45 H TYR 45 -3.015 3.727 -7.367 321 HA TYR 45 HA TYR 45 -0.918 3.884 -5.304 322 HB2 TYR 45 HB2 TYR 45 -3.472 2.262 -5.259 323 HB3 TYR 45 HB1 TYR 45 -2.347 2.486 -3.931 324 HD1 TYR 45 HD1 TYR 45 -5.247 3.749 -5.622 325 HD2 TYR 45 HD2 TYR 45 -2.164 4.779 -2.877 326 HE1 TYR 45 HE1 TYR 45 -6.618 5.613 -4.793 327 HE2 TYR 45 HE2 TYR 45 -3.524 6.654 -2.048 328 HH TYR 45 HH TYR 45 -6.796 6.948 -2.645 329 H ILE 46 H ILE 46 0.583 2.284 -5.216 330 HA ILE 46 HA ILE 46 0.152 -0.040 -6.968 331 HB ILE 46 HB ILE 46 2.714 1.219 -5.984 332 HG12 ILE 46 HG12 ILE 46 3.219 1.153 -8.475 333 HG13 ILE 46 HG11 ILE 46 1.539 0.697 -8.721 334 HG21 ILE 46 HG21 ILE 46 3.932 -0.611 -7.061 335 HG22 ILE 46 HG22 ILE 46 2.406 -1.427 -7.398 336 HG23 ILE 46 HG23 ILE 46 2.931 -1.194 -5.731 337 HD11 ILE 46 HD11 ILE 46 1.831 3.056 -9.109 338 HD12 ILE 46 HD12 ILE 46 2.539 3.259 -7.508 339 HD13 ILE 46 HD13 ILE 46 0.843 2.807 -7.669 340 H LEU 47 H LEU 47 -0.430 -1.819 -5.997 341 HA LEU 47 HA LEU 47 0.091 -2.155 -3.133 342 HB2 LEU 47 HB2 LEU 47 -2.216 -2.445 -4.349 343 HB3 LEU 47 HB1 LEU 47 -1.573 -3.993 -4.844 344 HG LEU 47 HG LEU 47 -3.032 -4.263 -2.933 345 HD11 LEU 47 HD11 LEU 47 -1.197 -5.805 -3.038 346 HD12 LEU 47 HD12 LEU 47 -1.533 -5.392 -1.358 347 HD13 LEU 47 HD13 LEU 47 -0.150 -4.673 -2.182 348 HD21 LEU 47 HD21 LEU 47 -2.883 -2.075 -1.952 349 HD22 LEU 47 HD22 LEU 47 -1.198 -2.349 -1.508 350 HD23 LEU 47 HD23 LEU 47 -2.479 -3.295 -0.746 351 H ARG 48 H ARG 48 1.722 -3.388 -2.506 352 HA ARG 48 HA ARG 48 2.703 -5.491 -4.328 353 HB2 ARG 48 HB2 ARG 48 4.238 -3.618 -2.535 354 HB3 ARG 48 HB1 ARG 48 4.937 -5.111 -3.137 355 HG2 ARG 48 HG2 ARG 48 4.628 -4.345 -5.407 356 HG3 ARG 48 HG1 ARG 48 3.889 -2.855 -4.818 357 HD2 ARG 48 HD2 ARG 48 5.968 -2.294 -3.653 358 HD3 ARG 48 HD1 ARG 48 6.705 -3.779 -4.254 359 HE ARG 48 HE ARG 48 5.888 -2.546 -6.505 360 HH11 ARG 48 HH11 ARG 48 7.805 -1.461 -3.785 361 HH12 ARG 48 HH12 ARG 48 8.766 -0.376 -4.738 362 HH21 ARG 48 HH21 ARG 48 7.132 -1.141 -7.760 363 HH22 ARG 48 HH22 ARG 48 8.376 -0.180 -7.010 364 H TRP 49 H TRP 49 3.083 -7.497 -3.451 365 HA TRP 49 HA TRP 49 3.185 -7.784 -0.576 366 HB2 TRP 49 HB2 TRP 49 1.386 -9.408 -0.416 367 HB3 TRP 49 HB1 TRP 49 0.772 -7.882 -1.031 368 HD1 TRP 49 HD1 TRP 49 0.899 -11.528 -1.795 369 HE1 TRP 49 HE1 TRP 49 -0.262 -12.002 -4.042 370 HE3 TRP 49 HE3 TRP 49 0.484 -6.736 -3.520 371 HZ2 TRP 49 HZ2 TRP 49 -1.222 -10.534 -6.255 372 HZ3 TRP 49 HZ3 TRP 49 -0.568 -6.357 -5.710 373 HH2 TRP 49 HH2 TRP 49 -1.398 -8.216 -7.050 374 H ARG 50 H ARG 50 4.253 -9.537 0.124 375 HA ARG 50 HA ARG 50 5.154 -11.501 -1.867 376 HB2 ARG 50 HB2 ARG 50 7.365 -11.553 -0.722 377 HB3 ARG 50 HB1 ARG 50 7.026 -10.020 -1.510 378 HG2 ARG 50 HG2 ARG 50 6.470 -9.008 0.610 379 HG3 ARG 50 HG1 ARG 50 6.678 -10.555 1.431 380 HD2 ARG 50 HD2 ARG 50 8.899 -9.272 -0.130 381 HD3 ARG 50 HD1 ARG 50 8.598 -8.868 1.558 382 HE ARG 50 HE ARG 50 8.746 -11.623 1.393 383 HH11 ARG 50 HH11 ARG 50 10.863 -8.888 0.836 384 HH12 ARG 50 HH12 ARG 50 12.302 -9.752 1.271 385 HH21 ARG 50 HH21 ARG 50 10.648 -12.758 1.963 386 HH22 ARG 50 HH22 ARG 50 12.180 -11.949 1.903 387 HA PRO 51 HA PRO 51 3.556 -14.277 1.262 388 HB2 PRO 51 HB2 PRO 51 4.781 -16.412 -0.311 389 HB3 PRO 51 HB1 PRO 51 3.073 -16.098 0.003 390 HG2 PRO 51 HG2 PRO 51 4.209 -15.751 -2.433 391 HG3 PRO 51 HG1 PRO 51 2.838 -14.785 -1.864 392 HD2 PRO 51 HD2 PRO 51 5.737 -14.074 -1.994 393 HD3 PRO 51 HD1 PRO 51 4.308 -13.074 -2.333 394 H LYS 52 H LYS 52 4.499 -14.749 3.134 395 HA LYS 52 HA LYS 52 7.301 -14.730 3.517 396 HB2 LYS 52 HB2 LYS 52 4.917 -15.304 5.195 397 HB3 LYS 52 HB1 LYS 52 6.475 -15.862 5.784 398 HG2 LYS 52 HG2 LYS 52 6.017 -13.023 4.925 399 HG3 LYS 52 HG1 LYS 52 5.691 -13.577 6.569 400 HD2 LYS 52 HD2 LYS 52 8.019 -14.341 6.759 401 HD3 LYS 52 HD1 LYS 52 8.338 -13.761 5.125 402 HE2 LYS 52 HE2 LYS 52 9.118 -12.197 6.857 403 HE3 LYS 52 HE1 LYS 52 7.896 -11.487 5.805 404 HZ1 LYS 52 HZ1 LYS 52 6.308 -11.546 7.466 405 HZ2 LYS 52 HZ2 LYS 52 7.712 -11.143 8.325 406 HZ3 LYS 52 HZ3 LYS 52 7.128 -12.728 8.365 407 H ASN 53 H ASN 53 5.192 -17.170 2.469 408 HA ASN 53 HA ASN 53 6.900 -19.362 3.339 409 HB2 ASN 53 HB2 ASN 53 4.282 -19.275 1.841 410 HB3 ASN 53 HB1 ASN 53 5.186 -20.765 2.081 411 HD21 ASN 53 HD21 ASN 53 5.195 -18.288 4.485 412 HD22 ASN 53 HD22 ASN 53 4.194 -19.110 5.638 413 H SER 54 H SER 54 7.230 -17.173 1.054 414 HA SER 54 HA SER 54 8.270 -19.099 -0.922 415 HB2 SER 54 HB2 SER 54 7.729 -17.544 -2.704 416 HB3 SER 54 HB1 SER 54 6.281 -17.847 -1.747 417 HG SER 54 HG SER 54 6.997 -15.848 -0.564 418 H VAL 55 H VAL 55 9.728 -17.420 -2.537 419 HA VAL 55 HA VAL 55 12.045 -16.971 -0.991 420 HB VAL 55 HB VAL 55 12.149 -17.611 -3.356 421 HG11 VAL 55 HG11 VAL 55 11.748 -15.950 -5.118 422 HG12 VAL 55 HG12 VAL 55 11.114 -14.837 -3.908 423 HG13 VAL 55 HG13 VAL 55 10.278 -16.355 -4.236 424 HG21 VAL 55 HG21 VAL 55 13.904 -16.031 -4.052 425 HG22 VAL 55 HG22 VAL 55 14.086 -16.580 -2.388 426 HG23 VAL 55 HG23 VAL 55 13.441 -14.974 -2.722 427 H GLY 56 H GLY 56 9.540 -14.816 -2.270 428 HA2 GLY 56 HA2 GLY 56 8.976 -13.002 -0.676 429 HA3 GLY 56 HA1 GLY 56 10.697 -12.708 -0.565 430 H ARG 57 H ARG 57 9.073 -13.384 -3.564 431 HA ARG 57 HA ARG 57 9.948 -10.861 -4.648 432 HB2 ARG 57 HB2 ARG 57 8.392 -13.151 -5.849 433 HB3 ARG 57 HB1 ARG 57 8.793 -11.687 -6.735 434 HG2 ARG 57 HG2 ARG 57 10.734 -13.663 -5.560 435 HG3 ARG 57 HG1 ARG 57 10.365 -13.426 -7.269 436 HD2 ARG 57 HD2 ARG 57 11.667 -11.436 -5.414 437 HD3 ARG 57 HD1 ARG 57 12.453 -12.331 -6.709 438 HE ARG 57 HE ARG 57 10.694 -11.075 -8.151 439 HH11 ARG 57 HH11 ARG 57 12.417 -9.779 -5.379 440 HH12 ARG 57 HH12 ARG 57 12.378 -8.147 -5.970 441 HH21 ARG 57 HH21 ARG 57 10.649 -8.918 -8.908 442 HH22 ARG 57 HH22 ARG 57 11.381 -7.662 -7.958 443 H TRP 58 H TRP 58 8.697 -9.153 -5.262 444 HA TRP 58 HA TRP 58 6.127 -8.977 -3.905 445 HB2 TRP 58 HB2 TRP 58 7.807 -6.854 -5.257 446 HB3 TRP 58 HB1 TRP 58 6.305 -6.554 -4.387 447 HD1 TRP 58 HD1 TRP 58 9.988 -7.326 -3.828 448 HE1 TRP 58 HE1 TRP 58 10.541 -6.986 -1.339 449 HE3 TRP 58 HE3 TRP 58 5.253 -6.661 -2.032 450 HZ2 TRP 58 HZ2 TRP 58 9.148 -6.521 1.068 451 HZ3 TRP 58 HZ3 TRP 58 4.948 -6.269 0.373 452 HH2 TRP 58 HH2 TRP 58 6.857 -6.197 1.892 453 H LYS 59 H LYS 59 4.295 -9.337 -4.978 454 HA LYS 59 HA LYS 59 4.158 -8.998 -7.853 455 HB2 LYS 59 HB2 LYS 59 1.926 -9.496 -5.868 456 HB3 LYS 59 HB1 LYS 59 1.786 -9.583 -7.617 457 HG2 LYS 59 HG2 LYS 59 3.491 -11.437 -7.546 458 HG3 LYS 59 HG1 LYS 59 3.295 -11.428 -5.793 459 HD2 LYS 59 HD2 LYS 59 0.884 -11.835 -6.080 460 HD3 LYS 59 HD1 LYS 59 1.118 -11.904 -7.827 461 HE2 LYS 59 HE2 LYS 59 1.048 -14.145 -7.062 462 HE3 LYS 59 HE1 LYS 59 2.734 -13.788 -7.426 463 HZ1 LYS 59 HZ1 LYS 59 2.592 -14.959 -5.359 464 HZ2 LYS 59 HZ2 LYS 59 1.481 -13.850 -4.740 465 HZ3 LYS 59 HZ3 LYS 59 3.072 -13.370 -5.039 466 H GLU 60 H GLU 60 3.350 -7.214 -8.898 467 HA GLU 60 HA GLU 60 2.652 -4.954 -7.143 468 HB2 GLU 60 HB2 GLU 60 4.010 -4.949 -9.842 469 HB3 GLU 60 HB1 GLU 60 3.495 -3.500 -8.989 470 HG2 GLU 60 HG2 GLU 60 5.002 -4.066 -7.148 471 HG3 GLU 60 HG1 GLU 60 5.538 -5.490 -8.034 472 H ALA 61 H ALA 61 0.682 -4.208 -7.279 473 HA ALA 61 HA ALA 61 -0.788 -4.508 -9.821 474 HB1 ALA 61 HB1 ALA 61 -2.851 -4.594 -8.523 475 HB2 ALA 61 HB2 ALA 61 -1.930 -4.444 -7.027 476 HB3 ALA 61 HB3 ALA 61 -1.752 -5.883 -8.032 477 H THR 62 H THR 62 -1.608 -2.670 -10.709 478 HA THR 62 HA THR 62 -1.083 -0.174 -9.259 479 HB THR 62 HB THR 62 -1.682 -0.518 -12.204 480 HG1 THR 62 HG1 THR 62 0.394 -1.434 -11.141 481 HG21 THR 62 HG21 THR 62 -0.705 1.731 -12.384 482 HG22 THR 62 HG22 THR 62 -0.519 1.785 -10.631 483 HG23 THR 62 HG23 THR 62 -2.130 1.724 -11.345 484 H ILE 63 H ILE 63 -2.736 0.769 -8.311 485 HA ILE 63 HA ILE 63 -5.455 0.332 -9.374 486 HB ILE 63 HB ILE 63 -4.594 1.022 -6.553 487 HG12 ILE 63 HG12 ILE 63 -5.882 -1.236 -6.180 488 HG13 ILE 63 HG11 ILE 63 -5.481 -1.516 -7.868 489 HG21 ILE 63 HG21 ILE 63 -6.937 0.828 -5.939 490 HG22 ILE 63 HG22 ILE 63 -7.366 0.526 -7.620 491 HG23 ILE 63 HG23 ILE 63 -6.712 2.093 -7.147 492 HD11 ILE 63 HD11 ILE 63 -3.862 -2.551 -6.385 493 HD12 ILE 63 HD12 ILE 63 -3.515 -0.984 -5.652 494 HD13 ILE 63 HD13 ILE 63 -3.112 -1.275 -7.344 495 HA PRO 64 HA PRO 64 -5.430 4.692 -10.550 496 HB2 PRO 64 HB2 PRO 64 -8.347 4.178 -10.144 497 HB3 PRO 64 HB1 PRO 64 -7.524 4.995 -11.479 498 HG2 PRO 64 HG2 PRO 64 -8.412 2.503 -11.764 499 HG3 PRO 64 HG1 PRO 64 -6.864 3.003 -12.466 500 HD2 PRO 64 HD2 PRO 64 -7.400 1.322 -10.071 501 HD3 PRO 64 HD1 PRO 64 -6.056 1.250 -11.227 502 H GLY 65 H GLY 65 -5.504 6.555 -9.392 503 HA2 GLY 65 HA2 GLY 65 -5.646 6.311 -6.547 504 HA3 GLY 65 HA1 GLY 65 -5.276 7.767 -7.451 505 H HIS 66 H HIS 66 -8.155 5.703 -7.349 506 HA HIS 66 HA HIS 66 -9.657 7.557 -5.790 507 HB2 HIS 66 HB2 HIS 66 -11.423 7.908 -7.618 508 HB3 HIS 66 HB1 HIS 66 -9.959 8.874 -7.707 509 HD1 HIS 66 HD1 HIS 66 -8.825 8.903 -9.902 510 HD2 HIS 66 HD2 HIS 66 -11.309 5.592 -9.482 511 HE1 HIS 66 HE1 HIS 66 -8.804 7.750 -12.139 512 HE2 HIS 66 HE2 HIS 66 -10.334 5.764 -11.874 513 H LEU 67 H LEU 67 -8.924 4.593 -6.373 514 HA LEU 67 HA LEU 67 -11.651 3.528 -6.132 515 HB2 LEU 67 HB2 LEU 67 -9.042 2.085 -6.612 516 HB3 LEU 67 HB1 LEU 67 -10.595 1.299 -6.427 517 HG LEU 67 HG LEU 67 -9.726 3.101 -8.682 518 HD11 LEU 67 HD11 LEU 67 -8.904 0.814 -8.804 519 HD12 LEU 67 HD12 LEU 67 -10.107 1.126 -10.052 520 HD13 LEU 67 HD13 LEU 67 -10.547 0.204 -8.615 521 HD21 LEU 67 HD21 LEU 67 -11.949 2.660 -9.648 522 HD22 LEU 67 HD22 LEU 67 -12.025 3.619 -8.172 523 HD23 LEU 67 HD23 LEU 67 -12.436 1.905 -8.132 524 H ASN 68 H ASN 68 -8.461 3.375 -4.655 525 HA ASN 68 HA ASN 68 -7.765 3.336 -2.509 526 HB2 ASN 68 HB2 ASN 68 -10.669 3.817 -1.810 527 HB3 ASN 68 HB1 ASN 68 -9.305 3.979 -0.709 528 HD21 ASN 68 HD21 ASN 68 -11.265 5.950 -1.522 529 HD22 ASN 68 HD22 ASN 68 -10.374 7.261 -2.216 530 H SER 69 H SER 69 -9.045 0.938 -3.928 531 HA SER 69 HA SER 69 -8.646 -0.899 -1.759 532 HB2 SER 69 HB2 SER 69 -10.889 -1.998 -2.081 533 HB3 SER 69 HB1 SER 69 -10.963 -0.405 -1.328 534 HG SER 69 HG SER 69 -12.324 0.010 -2.869 535 H TYR 70 H TYR 70 -8.292 -3.027 -2.483 536 HA TYR 70 HA TYR 70 -8.595 -3.557 -5.340 537 HB2 TYR 70 HB2 TYR 70 -6.297 -2.683 -5.058 538 HB3 TYR 70 HB1 TYR 70 -5.974 -3.942 -3.874 539 HD1 TYR 70 HD1 TYR 70 -4.937 -5.878 -4.595 540 HD2 TYR 70 HD2 TYR 70 -7.148 -3.575 -7.407 541 HE1 TYR 70 HE1 TYR 70 -4.230 -7.403 -6.391 542 HE2 TYR 70 HE2 TYR 70 -6.448 -5.094 -9.210 543 HH TYR 70 HH TYR 70 -5.036 -8.108 -8.627 544 H THR 71 H THR 71 -9.050 -5.656 -5.801 545 HA THR 71 HA THR 71 -9.354 -7.476 -3.538 546 HB THR 71 HB THR 71 -10.157 -7.940 -6.416 547 HG1 THR 71 HG1 THR 71 -11.132 -6.131 -4.809 548 HG21 THR 71 HG21 THR 71 -10.038 -9.962 -5.040 549 HG22 THR 71 HG22 THR 71 -11.712 -9.569 -5.435 550 HG23 THR 71 HG23 THR 71 -11.077 -9.208 -3.830 551 H ILE 72 H ILE 72 -7.393 -8.337 -3.047 552 HA ILE 72 HA ILE 72 -5.540 -9.141 -5.114 553 HB ILE 72 HB ILE 72 -5.386 -9.734 -2.153 554 HG12 ILE 72 HG12 ILE 72 -4.108 -7.461 -3.689 555 HG13 ILE 72 HG11 ILE 72 -5.505 -7.292 -2.631 556 HG21 ILE 72 HG21 ILE 72 -3.970 -11.161 -3.514 557 HG22 ILE 72 HG22 ILE 72 -2.987 -10.014 -2.603 558 HG23 ILE 72 HG23 ILE 72 -3.288 -9.748 -4.319 559 HD11 ILE 72 HD11 ILE 72 -3.525 -6.583 -1.471 560 HD12 ILE 72 HD12 ILE 72 -2.725 -8.117 -1.825 561 HD13 ILE 72 HD13 ILE 72 -4.118 -8.077 -0.745 562 H LYS 73 H LYS 73 -5.995 -10.895 -6.254 563 HA LYS 73 HA LYS 73 -7.331 -13.155 -4.947 564 HB2 LYS 73 HB2 LYS 73 -6.856 -12.637 -7.891 565 HB3 LYS 73 HB1 LYS 73 -7.840 -13.924 -7.206 566 HG2 LYS 73 HG2 LYS 73 -9.389 -12.293 -6.299 567 HG3 LYS 73 HG1 LYS 73 -8.384 -10.977 -6.908 568 HD2 LYS 73 HD2 LYS 73 -8.764 -11.789 -9.205 569 HD3 LYS 73 HD1 LYS 73 -9.823 -13.047 -8.564 570 HE2 LYS 73 HE2 LYS 73 -11.293 -11.330 -7.629 571 HE3 LYS 73 HE1 LYS 73 -10.236 -10.074 -8.267 572 HZ1 LYS 73 HZ1 LYS 73 -10.726 -10.826 -10.497 573 HZ2 LYS 73 HZ2 LYS 73 -12.162 -10.454 -9.682 574 HZ3 LYS 73 HZ3 LYS 73 -11.710 -12.065 -9.900 575 H GLY 74 H GLY 74 -6.209 -14.900 -4.414 576 HA2 GLY 74 HA2 GLY 74 -4.649 -16.637 -5.235 577 HA3 GLY 74 HA1 GLY 74 -3.587 -15.322 -5.716 578 H LEU 75 H LEU 75 -5.323 -15.089 -2.726 579 HA LEU 75 HA LEU 75 -2.795 -15.470 -1.276 580 HB2 LEU 75 HB2 LEU 75 -5.328 -14.100 -0.372 581 HB3 LEU 75 HB1 LEU 75 -3.853 -14.233 0.562 582 HG LEU 75 HG LEU 75 -4.305 -12.618 -1.936 583 HD11 LEU 75 HD11 LEU 75 -5.065 -11.640 0.169 584 HD12 LEU 75 HD12 LEU 75 -3.697 -10.755 -0.506 585 HD13 LEU 75 HD13 LEU 75 -3.452 -11.857 0.849 586 HD21 LEU 75 HD21 LEU 75 -2.120 -13.683 -2.109 587 HD22 LEU 75 HD22 LEU 75 -1.708 -13.131 -0.486 588 HD23 LEU 75 HD23 LEU 75 -1.950 -11.959 -1.782 589 H LYS 76 H LYS 76 -2.560 -17.064 0.161 590 HA LYS 76 HA LYS 76 -4.806 -18.917 0.460 591 HB2 LYS 76 HB2 LYS 76 -1.847 -19.232 0.974 592 HB3 LYS 76 HB1 LYS 76 -3.040 -20.489 1.269 593 HG2 LYS 76 HG2 LYS 76 -3.610 -20.534 -1.091 594 HG3 LYS 76 HG1 LYS 76 -2.463 -19.230 -1.405 595 HD2 LYS 76 HD2 LYS 76 -1.549 -21.744 -0.082 596 HD3 LYS 76 HD1 LYS 76 -1.761 -21.702 -1.832 597 HE2 LYS 76 HE2 LYS 76 -0.222 -19.777 -1.925 598 HE3 LYS 76 HE1 LYS 76 0.013 -19.908 -0.182 599 HZ1 LYS 76 HZ1 LYS 76 0.919 -22.116 -0.496 600 HZ2 LYS 76 HZ2 LYS 76 1.788 -20.998 -1.420 601 HZ3 LYS 76 HZ3 LYS 76 0.666 -22.020 -2.165 602 HA PRO 77 HA PRO 77 -5.415 -17.412 4.660 603 HB2 PRO 77 HB2 PRO 77 -7.064 -19.866 4.829 604 HB3 PRO 77 HB1 PRO 77 -7.509 -18.188 5.157 605 HG2 PRO 77 HG2 PRO 77 -8.371 -19.439 2.961 606 HG3 PRO 77 HG1 PRO 77 -7.926 -17.723 2.927 607 HD2 PRO 77 HD2 PRO 77 -6.382 -20.104 1.972 608 HD3 PRO 77 HD1 PRO 77 -6.550 -18.496 1.233 609 H GLY 78 H GLY 78 -3.891 -17.758 6.122 610 HA2 GLY 78 HA2 GLY 78 -3.088 -19.238 7.897 611 HA3 GLY 78 HA1 GLY 78 -3.110 -20.546 6.720 612 H VAL 79 H VAL 79 -2.124 -18.435 4.746 613 HA VAL 79 HA VAL 79 0.723 -18.800 5.330 614 HB VAL 79 HB VAL 79 -0.677 -17.972 2.773 615 HG11 VAL 79 HG11 VAL 79 2.204 -18.656 3.301 616 HG12 VAL 79 HG12 VAL 79 1.558 -17.105 2.754 617 HG13 VAL 79 HG13 VAL 79 1.482 -18.521 1.698 618 HG21 VAL 79 HG21 VAL 79 -1.208 -20.254 3.344 619 HG22 VAL 79 HG22 VAL 79 0.500 -20.612 3.607 620 HG23 VAL 79 HG23 VAL 79 -0.079 -20.226 1.986 621 H VAL 80 H VAL 80 2.018 -17.075 5.809 622 HA VAL 80 HA VAL 80 0.731 -14.535 6.278 623 HB VAL 80 HB VAL 80 3.621 -15.324 6.688 624 HG11 VAL 80 HG11 VAL 80 3.744 -13.345 8.136 625 HG12 VAL 80 HG12 VAL 80 2.097 -12.914 7.673 626 HG13 VAL 80 HG13 VAL 80 3.381 -12.914 6.464 627 HG21 VAL 80 HG21 VAL 80 1.373 -15.121 8.684 628 HG22 VAL 80 HG22 VAL 80 3.050 -15.546 9.034 629 HG23 VAL 80 HG23 VAL 80 2.051 -16.620 8.056 630 H TYR 81 H TYR 81 0.872 -12.728 5.120 631 HA TYR 81 HA TYR 81 2.757 -12.667 2.858 632 HB2 TYR 81 HB2 TYR 81 -0.088 -11.636 2.956 633 HB3 TYR 81 HB1 TYR 81 1.041 -11.300 1.650 634 HD1 TYR 81 HD1 TYR 81 1.719 -13.072 0.106 635 HD2 TYR 81 HD2 TYR 81 -1.138 -13.801 3.172 636 HE1 TYR 81 HE1 TYR 81 1.042 -15.148 -1.024 637 HE2 TYR 81 HE2 TYR 81 -1.818 -15.881 2.050 638 HH TYR 81 HH TYR 81 -0.010 -17.266 -0.495 639 H GLU 82 H GLU 82 3.909 -10.835 2.579 640 HA GLU 82 HA GLU 82 3.532 -8.670 4.538 641 HB2 GLU 82 HB2 GLU 82 5.866 -9.298 2.704 642 HB3 GLU 82 HB1 GLU 82 5.809 -7.960 3.842 643 HG2 GLU 82 HG2 GLU 82 5.661 -10.863 4.606 644 HG3 GLU 82 HG1 GLU 82 7.133 -9.894 4.612 645 H GLY 83 H GLY 83 2.446 -6.910 3.799 646 HA2 GLY 83 HA2 GLY 83 2.546 -6.436 0.887 647 HA3 GLY 83 HA1 GLY 83 1.056 -6.296 1.807 648 H GLN 84 H GLN 84 2.283 -4.349 0.128 649 HA GLN 84 HA GLN 84 2.485 -2.164 2.063 650 HB2 GLN 84 HB2 GLN 84 4.382 -2.508 -0.268 651 HB3 GLN 84 HB1 GLN 84 4.340 -1.141 0.834 652 HG2 GLN 84 HG2 GLN 84 4.935 -2.649 2.682 653 HG3 GLN 84 HG1 GLN 84 5.041 -3.979 1.533 654 HE21 GLN 84 HE21 GLN 84 7.182 -4.341 1.962 655 HE22 GLN 84 HE22 GLN 84 8.437 -3.272 1.438 656 H LEU 85 H LEU 85 1.512 -0.321 1.421 657 HA LEU 85 HA LEU 85 0.398 -0.252 -1.303 658 HB2 LEU 85 HB2 LEU 85 -1.219 -0.290 0.630 659 HB3 LEU 85 HB1 LEU 85 -0.564 1.250 1.140 660 HG LEU 85 HG LEU 85 -2.771 1.275 -0.143 661 HD11 LEU 85 HD11 LEU 85 -1.422 3.283 0.242 662 HD12 LEU 85 HD12 LEU 85 -2.235 3.321 -1.321 663 HD13 LEU 85 HD13 LEU 85 -0.514 2.947 -1.231 664 HD21 LEU 85 HD21 LEU 85 -2.028 -0.350 -1.867 665 HD22 LEU 85 HD22 LEU 85 -0.945 0.882 -2.507 666 HD23 LEU 85 HD23 LEU 85 -2.690 1.139 -2.532 667 H ILE 86 H ILE 86 1.265 1.180 -2.623 668 HA ILE 86 HA ILE 86 2.829 3.402 -1.469 669 HB ILE 86 HB ILE 86 3.317 2.127 -4.157 670 HG12 ILE 86 HG12 ILE 86 4.968 1.551 -1.713 671 HG13 ILE 86 HG11 ILE 86 3.542 0.586 -2.076 672 HG21 ILE 86 HG21 ILE 86 4.209 4.387 -3.816 673 HG22 ILE 86 HG22 ILE 86 5.502 3.195 -3.961 674 HG23 ILE 86 HG23 ILE 86 5.062 3.828 -2.374 675 HD11 ILE 86 HD11 ILE 86 4.485 -0.071 -4.192 676 HD12 ILE 86 HD12 ILE 86 5.607 -0.436 -2.881 677 HD13 ILE 86 HD13 ILE 86 5.887 0.965 -3.915 678 H SER 87 H SER 87 1.757 5.261 -1.761 679 HA SER 87 HA SER 87 -0.009 5.556 -4.056 680 HB2 SER 87 HB2 SER 87 -0.471 7.814 -2.843 681 HB3 SER 87 HB1 SER 87 -1.082 6.323 -2.131 682 HG SER 87 HG SER 87 0.561 8.118 -1.056 683 H ILE 88 H ILE 88 0.590 6.541 -5.849 684 HA ILE 88 HA ILE 88 3.026 8.190 -5.832 685 HB ILE 88 HB ILE 88 1.549 7.090 -8.229 686 HG12 ILE 88 HG12 ILE 88 2.375 5.242 -6.850 687 HG13 ILE 88 HG11 ILE 88 3.288 5.363 -8.349 688 HG21 ILE 88 HG21 ILE 88 3.636 7.569 -9.424 689 HG22 ILE 88 HG22 ILE 88 4.319 8.249 -7.947 690 HG23 ILE 88 HG23 ILE 88 2.934 9.025 -8.717 691 HD11 ILE 88 HD11 ILE 88 4.183 6.318 -5.641 692 HD12 ILE 88 HD12 ILE 88 5.101 6.474 -7.140 693 HD13 ILE 88 HD13 ILE 88 4.745 4.875 -6.484 694 H GLN 89 H GLN 89 2.617 10.300 -5.605 695 HA GLN 89 HA GLN 89 0.045 11.380 -6.351 696 HB2 GLN 89 HB2 GLN 89 2.479 12.711 -5.184 697 HB3 GLN 89 HB1 GLN 89 0.941 13.510 -5.467 698 HG2 GLN 89 HG2 GLN 89 -0.144 12.020 -3.887 699 HG3 GLN 89 HG1 GLN 89 1.388 11.185 -3.615 700 HE21 GLN 89 HE21 GLN 89 1.490 11.699 -1.462 701 HE22 GLN 89 HE22 GLN 89 1.825 13.311 -0.913 702 H GLN 90 H GLN 90 0.225 13.729 -7.299 703 HA GLN 90 HA GLN 90 0.762 13.412 -10.013 704 HB2 GLN 90 HB2 GLN 90 -0.866 15.007 -9.057 705 HB3 GLN 90 HB1 GLN 90 0.468 15.996 -8.480 706 HG2 GLN 90 HG2 GLN 90 1.177 16.431 -10.742 707 HG3 GLN 90 HG1 GLN 90 -0.065 15.346 -11.366 708 HE21 GLN 90 HE21 GLN 90 0.593 18.450 -9.981 709 HE22 GLN 90 HE22 GLN 90 -0.959 19.139 -10.283 710 H TYR 91 H TYR 91 2.689 15.006 -7.489 711 HA TYR 91 HA TYR 91 4.664 15.772 -9.500 712 HB2 TYR 91 HB2 TYR 91 4.527 16.459 -6.558 713 HB3 TYR 91 HB1 TYR 91 5.694 17.103 -7.709 714 HD1 TYR 91 HD1 TYR 91 2.458 17.521 -6.259 715 HD2 TYR 91 HD2 TYR 91 4.783 18.406 -9.706 716 HE1 TYR 91 HE1 TYR 91 0.879 19.302 -6.855 717 HE2 TYR 91 HE2 TYR 91 3.213 20.193 -10.311 718 HH TYR 91 HH TYR 91 0.740 21.294 -8.178 719 H GLY 92 H GLY 92 4.131 13.001 -8.227 720 HA2 GLY 92 HA2 GLY 92 5.617 11.208 -8.391 721 HA3 GLY 92 HA1 GLY 92 6.957 12.334 -8.274 722 H HIS 93 H HIS 93 4.818 13.070 -5.832 723 HA HIS 93 HA HIS 93 6.517 12.121 -3.785 724 HB2 HIS 93 HB2 HIS 93 4.718 14.007 -3.653 725 HB3 HIS 93 HB1 HIS 93 3.594 12.697 -3.338 726 HD1 HIS 93 HD1 HIS 93 3.872 11.393 -1.090 727 HD2 HIS 93 HD2 HIS 93 6.363 14.700 -1.530 728 HE1 HIS 93 HE1 HIS 93 4.787 11.872 1.204 729 HE2 HIS 93 HE2 HIS 93 6.110 13.996 0.944 730 H GLN 94 H GLN 94 6.608 10.194 -2.777 731 HA GLN 94 HA GLN 94 4.477 8.248 -3.376 732 HB2 GLN 94 HB2 GLN 94 7.381 7.606 -2.855 733 HB3 GLN 94 HB1 GLN 94 6.123 6.487 -3.355 734 HG2 GLN 94 HG2 GLN 94 5.944 7.673 -5.495 735 HG3 GLN 94 HG1 GLN 94 7.249 8.745 -4.991 736 HE21 GLN 94 HE21 GLN 94 7.130 6.943 -7.254 737 HE22 GLN 94 HE22 GLN 94 8.456 5.845 -7.075 738 H GLU 95 H GLU 95 3.388 7.598 -1.649 739 HA GLU 95 HA GLU 95 4.748 7.631 0.963 740 HB2 GLU 95 HB2 GLU 95 1.780 7.409 0.424 741 HB3 GLU 95 HB1 GLU 95 2.547 7.567 1.994 742 HG2 GLU 95 HG2 GLU 95 1.755 9.690 1.596 743 HG3 GLU 95 HG1 GLU 95 3.435 9.808 1.077 744 H VAL 96 H VAL 96 5.108 5.736 1.999 745 HA VAL 96 HA VAL 96 3.952 3.322 0.768 746 HB VAL 96 HB VAL 96 6.659 3.555 2.093 747 HG11 VAL 96 HG11 VAL 96 5.352 1.216 0.705 748 HG12 VAL 96 HG12 VAL 96 5.610 1.374 2.443 749 HG13 VAL 96 HG13 VAL 96 6.994 1.250 1.353 750 HG21 VAL 96 HG21 VAL 96 6.697 4.636 -0.063 751 HG22 VAL 96 HG22 VAL 96 5.896 3.256 -0.813 752 HG23 VAL 96 HG23 VAL 96 7.536 3.088 -0.182 753 H THR 97 H THR 97 2.480 2.482 2.063 754 HA THR 97 HA THR 97 3.086 2.352 4.935 755 HB THR 97 HB THR 97 1.167 3.841 4.462 756 HG1 THR 97 HG1 THR 97 -0.148 2.949 6.034 757 HG21 THR 97 HG21 THR 97 -0.935 2.835 3.681 758 HG22 THR 97 HG22 THR 97 -0.068 1.326 3.383 759 HG23 THR 97 HG23 THR 97 0.343 2.772 2.465 760 H ARG 98 H ARG 98 3.128 0.355 5.820 761 HA ARG 98 HA ARG 98 2.724 -1.865 3.951 762 HB2 ARG 98 HB2 ARG 98 4.187 -1.999 6.579 763 HB3 ARG 98 HB1 ARG 98 4.286 -3.116 5.228 764 HG2 ARG 98 HG2 ARG 98 5.276 -1.199 3.895 765 HG3 ARG 98 HG1 ARG 98 5.423 -0.347 5.429 766 HD2 ARG 98 HD2 ARG 98 6.707 -2.955 4.654 767 HD3 ARG 98 HD1 ARG 98 7.511 -1.419 4.970 768 HE ARG 98 HE ARG 98 6.160 -2.022 7.285 769 HH11 ARG 98 HH11 ARG 98 8.654 -3.538 5.354 770 HH12 ARG 98 HH12 ARG 98 9.331 -4.413 6.688 771 HH21 ARG 98 HH21 ARG 98 7.052 -3.171 9.044 772 HH22 ARG 98 HH22 ARG 98 8.421 -4.207 8.784 773 H PHE 99 H PHE 99 1.771 -3.852 4.704 774 HA PHE 99 HA PHE 99 0.243 -3.674 7.179 775 HB2 PHE 99 HB2 PHE 99 -1.845 -4.377 6.134 776 HB3 PHE 99 HB1 PHE 99 -1.298 -2.854 5.451 777 HD1 PHE 99 HD1 PHE 99 -1.869 -6.406 4.819 778 HD2 PHE 99 HD2 PHE 99 -0.579 -2.711 3.145 779 HE1 PHE 99 HE1 PHE 99 -2.088 -7.357 2.560 780 HE2 PHE 99 HE2 PHE 99 -0.795 -3.655 0.885 781 HZ PHE 99 HZ PHE 99 -1.551 -5.982 0.591 782 H ASP 100 H ASP 100 -0.780 -5.774 7.737 783 HA ASP 100 HA ASP 100 0.882 -8.024 6.817 784 HB2 ASP 100 HB2 ASP 100 1.687 -7.470 8.995 785 HB3 ASP 100 HB1 ASP 100 0.056 -7.271 9.624 786 H PHE 101 H PHE 101 -0.155 -9.909 6.399 787 HA PHE 101 HA PHE 101 -2.854 -10.331 7.362 788 HB2 PHE 101 HB2 PHE 101 -3.328 -9.119 5.315 789 HB3 PHE 101 HB1 PHE 101 -2.232 -10.156 4.404 790 HD1 PHE 101 HD1 PHE 101 -5.348 -10.251 6.432 791 HD2 PHE 101 HD2 PHE 101 -3.042 -12.051 3.340 792 HE1 PHE 101 HE1 PHE 101 -7.208 -11.786 5.945 793 HE2 PHE 101 HE2 PHE 101 -4.899 -13.589 2.846 794 HZ PHE 101 HZ PHE 101 -6.984 -13.458 4.149 795 H THR 102 H THR 102 -3.397 -12.455 7.504 796 HA THR 102 HA THR 102 -2.017 -14.470 6.013 797 HB THR 102 HB THR 102 -0.380 -14.123 7.815 798 HG1 THR 102 HG1 THR 102 -0.833 -16.258 6.942 799 HG21 THR 102 HG21 THR 102 -1.908 -13.337 9.568 800 HG22 THR 102 HG22 THR 102 -0.905 -14.677 10.125 801 HG23 THR 102 HG23 THR 102 -2.591 -14.958 9.689 802 H THR 103 H THR 103 -4.189 -13.683 8.678 803 HA THR 103 HA THR 103 -6.229 -15.344 7.490 804 HB THR 103 HB THR 103 -5.449 -15.833 10.374 805 HG1 THR 103 HG1 THR 103 -4.440 -16.872 8.104 806 HG21 THR 103 HG21 THR 103 -7.839 -16.120 9.907 807 HG22 THR 103 HG22 THR 103 -7.066 -17.669 10.244 808 HG23 THR 103 HG23 THR 103 -7.449 -17.217 8.583 809 H THR 104 H THR 104 -5.296 -13.431 10.342 810 HA THR 104 HA THR 104 -7.863 -12.376 10.864 811 HB THR 104 HB THR 104 -5.183 -11.125 11.506 812 HG1 THR 104 HG1 THR 104 -6.585 -12.690 13.367 813 HG21 THR 104 HG21 THR 104 -7.894 -10.867 12.817 814 HG22 THR 104 HG22 THR 104 -7.058 -9.622 11.889 815 HG23 THR 104 HG23 THR 104 -6.396 -10.166 13.430 816 H SER 105 H SER 105 -8.951 -10.741 9.933 817 HA SER 105 HA SER 105 -7.915 -9.532 7.546 818 HB2 SER 105 HB2 SER 105 -10.496 -8.957 9.021 819 HB3 SER 105 HB1 SER 105 -10.118 -8.502 7.360 820 HG SER 105 HG SER 105 -10.000 -11.201 8.161 821 H THR 106 H THR 106 -8.240 -8.641 10.882 822 HA THR 106 HA THR 106 -7.754 -5.855 10.565 823 HB THR 106 HB THR 106 -7.032 -7.496 12.997 824 HG1 THR 106 HG1 THR 106 -9.556 -6.761 11.965 825 HG21 THR 106 HG21 THR 106 -7.993 -4.652 12.650 826 HG22 THR 106 HG22 THR 106 -6.341 -5.148 13.018 827 HG23 THR 106 HG23 THR 106 -7.630 -5.432 14.189 828 H SER 107 H SER 107 -5.921 -4.979 9.843 829 HA SER 107 HA SER 107 -3.631 -6.651 9.389 830 HB2 SER 107 HB2 SER 107 -2.826 -4.393 8.346 831 HB3 SER 107 HB1 SER 107 -4.131 -5.297 7.574 832 HG SER 107 HG SER 107 -4.179 -2.823 8.697 833 H THR 108 H THR 108 -4.510 -4.335 11.788 834 HA THR 108 HA THR 108 -1.758 -4.388 12.813 835 HB THR 108 HB THR 108 -2.395 -1.942 13.618 836 HG1 THR 108 HG1 THR 108 -3.508 -1.672 11.088 837 HG21 THR 108 HG21 THR 108 -1.383 -2.624 10.858 838 HG22 THR 108 HG22 THR 108 -0.417 -2.456 12.324 839 HG23 THR 108 HG23 THR 108 -1.222 -1.049 11.632 840 HA PRO 109 HA PRO 109 -3.875 -4.906 16.734 841 HB2 PRO 109 HB2 PRO 109 -1.798 -4.661 18.390 842 HB3 PRO 109 HB1 PRO 109 -1.919 -6.038 17.287 843 HG2 PRO 109 HG2 PRO 109 -0.248 -3.576 17.071 844 HG3 PRO 109 HG1 PRO 109 0.155 -5.245 16.638 845 HD2 PRO 109 HD2 PRO 109 -0.672 -3.262 14.862 846 HD3 PRO 109 HD1 PRO 109 -0.698 -5.006 14.543 847 H GLY 110 H GLY 110 -2.898 -2.098 15.451 848 HA2 GLY 110 HA2 GLY 110 -4.312 -0.494 17.334 849 HA3 GLY 110 HA1 GLY 110 -2.577 -0.209 17.410 850 H SER 111 H SER 111 -5.454 0.530 15.815 851 HA SER 111 HA SER 111 -4.575 1.047 13.203 852 HB2 SER 111 HB2 SER 111 -6.619 2.592 13.177 853 HB3 SER 111 HB1 SER 111 -6.911 0.895 13.561 854 HG SER 111 HG SER 111 -7.911 1.775 15.213 855 H ARG 112 H ARG 112 -5.377 3.479 15.664 856 HA ARG 112 HA ARG 112 -3.067 5.067 14.792 857 HB2 ARG 112 HB2 ARG 112 -5.849 6.137 15.324 858 HB3 ARG 112 HB1 ARG 112 -4.431 7.117 14.990 859 HG2 ARG 112 HG2 ARG 112 -4.268 6.103 12.762 860 HG3 ARG 112 HG1 ARG 112 -5.719 5.156 13.103 861 HD2 ARG 112 HD2 ARG 112 -6.307 7.104 11.801 862 HD3 ARG 112 HD1 ARG 112 -6.974 7.249 13.426 863 HE ARG 112 HE ARG 112 -4.402 8.521 12.971 864 HH11 ARG 112 HH11 ARG 112 -7.877 8.887 13.221 865 HH12 ARG 112 HH12 ARG 112 -7.805 10.608 13.414 866 HH21 ARG 112 HH21 ARG 112 -4.309 10.781 13.227 867 HH22 ARG 112 HH22 ARG 112 -5.776 11.685 13.426 868 H SER 113 H SER 113 -1.939 5.973 16.441 869 HA SER 113 HA SER 113 -2.568 5.158 19.108 870 HB2 SER 113 HB2 SER 113 -0.440 7.042 18.075 871 HB3 SER 113 HB1 SER 113 -0.527 6.408 19.720 872 HG SER 113 HG SER 113 -0.692 4.424 17.877 873 H HIS 114 H HIS 114 -3.116 6.447 20.862 874 HA HIS 114 HA HIS 114 -4.390 7.977 21.936 875 HB2 HIS 114 HB2 HIS 114 -2.491 9.478 21.333 876 HB3 HIS 114 HB1 HIS 114 -3.348 9.924 19.864 877 HD1 HIS 114 HD1 HIS 114 -4.927 11.861 20.043 878 HD2 HIS 114 HD2 HIS 114 -3.894 10.304 23.755 879 HE1 HIS 114 HE1 HIS 114 -5.897 13.446 21.736 880 HE2 HIS 114 HE2 HIS 114 -5.110 12.575 23.962 881 H HIS 115 H HIS 115 -6.155 6.686 21.082 882 HA HIS 115 HA HIS 115 -7.599 7.440 18.761 883 HB2 HIS 115 HB2 HIS 115 -8.473 5.879 21.201 884 HB3 HIS 115 HB1 HIS 115 -9.425 6.040 19.732 885 HD1 HIS 115 HD1 HIS 115 -6.787 4.041 21.276 886 HD2 HIS 115 HD2 HIS 115 -8.213 4.739 17.437 887 HE1 HIS 115 HE1 HIS 115 -5.889 2.160 19.871 888 HE2 HIS 115 HE2 HIS 115 -6.909 2.510 17.596 889 H HIS 116 H HIS 116 -9.211 8.884 18.470 890 HA HIS 116 HA HIS 116 -9.566 10.917 20.447 891 HB2 HIS 116 HB2 HIS 116 -11.086 11.976 18.828 892 HB3 HIS 116 HB1 HIS 116 -9.559 11.523 18.092 893 HD1 HIS 116 HD1 HIS 116 -9.722 10.269 15.960 894 HD2 HIS 116 HD2 HIS 116 -13.249 10.067 18.150 895 HE1 HIS 116 HE1 HIS 116 -11.375 9.095 14.475 896 HE2 HIS 116 HE2 HIS 116 -13.544 9.151 15.750 897 H HIS 117 H HIS 117 -10.837 7.938 20.296 898 HA HIS 117 HA HIS 117 -13.532 8.397 21.069 899 HB2 HIS 117 HB2 HIS 117 -12.594 6.228 20.192 900 HB3 HIS 117 HB1 HIS 117 -11.789 6.016 21.740 901 HD1 HIS 117 HD1 HIS 117 -15.221 6.069 20.192 902 HD2 HIS 117 HD2 HIS 117 -13.387 5.049 23.780 903 HE1 HIS 117 HE1 HIS 117 -16.976 4.866 21.532 904 HE2 HIS 117 HE2 HIS 117 -15.883 4.374 23.746 905 H HIS 118 H HIS 118 -10.545 8.803 22.618 906 HA HIS 118 HA HIS 118 -11.593 8.569 25.316 907 HB2 HIS 118 HB2 HIS 118 -8.888 9.355 24.222 908 HB3 HIS 118 HB1 HIS 118 -9.277 9.418 25.936 909 HD1 HIS 118 HD1 HIS 118 -8.291 7.459 27.076 910 HD2 HIS 118 HD2 HIS 118 -9.693 6.490 23.284 911 HE1 HIS 118 HE1 HIS 118 -7.878 4.995 26.809 912 HE2 HIS 118 HE2 HIS 118 -8.908 4.403 24.591 913 H HIS 119 H HIS 119 -12.013 10.287 26.679 914 HA HIS 119 HA HIS 119 -12.143 12.921 25.365 915 HB2 HIS 119 HB2 HIS 119 -14.361 11.883 25.837 916 HB3 HIS 119 HB1 HIS 119 -13.948 11.842 27.545 917 HD1 HIS 119 HD1 HIS 119 -14.204 14.011 28.871 918 HD2 HIS 119 HD2 HIS 119 -14.911 14.469 24.803 919 HE1 HIS 119 HE1 HIS 119 -15.226 16.292 28.617 920 HE2 HIS 119 HE2 HIS 119 -15.786 16.482 26.171 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 -11.088 17.537 5.866 2 H2 GLY 1 HT2 GLY 1 -10.921 16.712 7.331 3 H3 GLY 1 HT3 GLY 1 -11.042 15.847 5.882 4 HA2 GLY 1 HA1 GLY 1 -8.769 15.857 6.624 5 HA3 GLY 1 HA2 GLY 1 -8.939 16.764 5.129 6 H SER 2 H SER 2 -8.347 16.938 8.545 7 HA SER 2 HA SER 2 -6.892 19.390 8.200 8 HB2 SER 2 HB2 SER 2 -9.302 20.129 8.493 9 HB3 SER 2 HB1 SER 2 -9.244 19.430 10.110 10 HG SER 2 HG SER 2 -7.803 20.946 10.736 11 H GLN 3 H GLN 3 -5.820 17.074 8.828 12 HA GLN 3 HA GLN 3 -5.608 16.975 11.764 13 HB2 GLN 3 HB2 GLN 3 -4.888 14.889 9.696 14 HB3 GLN 3 HB1 GLN 3 -4.653 14.707 11.428 15 HG2 GLN 3 HG2 GLN 3 -7.301 15.073 10.046 16 HG3 GLN 3 HG1 GLN 3 -6.650 13.547 10.636 17 HE21 GLN 3 HE21 GLN 3 -5.519 14.766 13.040 18 HE22 GLN 3 HE22 GLN 3 -6.857 15.090 14.085 19 H THR 4 H THR 4 -4.202 18.618 9.526 20 HA THR 4 HA THR 4 -2.167 19.554 9.146 21 HB THR 4 HB THR 4 -1.140 18.397 11.728 22 HG1 THR 4 HG1 THR 4 -2.859 19.246 12.643 23 HG21 THR 4 HG21 THR 4 0.369 19.783 10.376 24 HG22 THR 4 HG22 THR 4 -0.036 20.580 11.895 25 HG23 THR 4 HG23 THR 4 -0.812 21.092 10.397 26 H THR 5 H THR 5 -2.621 17.124 7.955 27 HA THR 5 HA THR 5 -0.501 15.266 8.523 28 HB THR 5 HB THR 5 -1.504 14.181 6.361 29 HG1 THR 5 HG1 THR 5 -2.918 15.555 5.530 30 HG21 THR 5 HG21 THR 5 -3.025 14.407 8.960 31 HG22 THR 5 HG22 THR 5 -1.774 13.228 8.569 32 HG23 THR 5 HG23 THR 5 -3.321 13.185 7.723 33 H ALA 6 H ALA 6 1.482 16.022 7.987 34 HA ALA 6 HA ALA 6 2.083 17.328 5.540 35 HB1 ALA 6 HB1 ALA 6 4.426 16.927 6.104 36 HB2 ALA 6 HB2 ALA 6 3.935 15.832 7.395 37 HB3 ALA 6 HB3 ALA 6 3.532 17.545 7.493 38 HA PRO 7 HA PRO 7 3.102 12.943 3.861 39 HB2 PRO 7 HB2 PRO 7 2.421 10.774 5.296 40 HB3 PRO 7 HB1 PRO 7 3.980 11.579 5.519 41 HG2 PRO 7 HG2 PRO 7 1.475 11.820 7.149 42 HG3 PRO 7 HG1 PRO 7 3.152 11.635 7.700 43 HD2 PRO 7 HD2 PRO 7 1.882 14.036 7.621 44 HD3 PRO 7 HD1 PRO 7 3.632 13.861 7.390 45 H ASP 8 H ASP 8 1.697 11.850 2.496 46 HA ASP 8 HA ASP 8 -1.170 12.187 3.110 47 HB2 ASP 8 HB2 ASP 8 0.230 12.175 0.426 48 HB3 ASP 8 HB1 ASP 8 -1.519 12.181 0.629 49 H ALA 9 H ALA 9 0.350 10.023 4.009 50 HA ALA 9 HA ALA 9 -0.236 7.783 2.237 51 HB1 ALA 9 HB1 ALA 9 1.192 6.489 3.646 52 HB2 ALA 9 HB2 ALA 9 1.205 7.749 4.878 53 HB3 ALA 9 HB3 ALA 9 1.997 8.026 3.331 54 HA PRO 10 HA PRO 10 -3.975 6.649 4.457 55 HB2 PRO 10 HB2 PRO 10 -3.122 3.933 3.585 56 HB3 PRO 10 HB1 PRO 10 -4.680 4.743 3.380 57 HG2 PRO 10 HG2 PRO 10 -3.018 4.474 1.323 58 HG3 PRO 10 HG1 PRO 10 -3.949 5.967 1.547 59 HD2 PRO 10 HD2 PRO 10 -1.068 5.438 2.105 60 HD3 PRO 10 HD1 PRO 10 -1.830 6.881 1.458 61 HA PRO 11 HA PRO 11 -1.921 5.823 8.338 62 HB2 PRO 11 HB2 PRO 11 -4.733 5.286 9.150 63 HB3 PRO 11 HB1 PRO 11 -3.525 6.336 9.895 64 HG2 PRO 11 HG2 PRO 11 -5.509 7.368 8.462 65 HG3 PRO 11 HG1 PRO 11 -3.871 8.043 8.363 66 HD2 PRO 11 HD2 PRO 11 -5.321 6.292 6.428 67 HD3 PRO 11 HD1 PRO 11 -4.192 7.627 6.121 68 H ASP 12 H ASP 12 -4.548 3.654 7.264 69 HA ASP 12 HA ASP 12 -2.844 1.377 7.773 70 HB2 ASP 12 HB2 ASP 12 -4.186 0.248 9.357 71 HB3 ASP 12 HB1 ASP 12 -4.036 1.887 9.974 72 HA PRO 13 HA PRO 13 -5.496 -0.088 4.439 73 HB2 PRO 13 HB2 PRO 13 -3.728 -2.399 4.382 74 HB3 PRO 13 HB1 PRO 13 -3.961 -1.155 3.150 75 HG2 PRO 13 HG2 PRO 13 -1.663 -1.404 4.570 76 HG3 PRO 13 HG1 PRO 13 -2.255 0.154 3.963 77 HD2 PRO 13 HD2 PRO 13 -2.488 -1.017 6.717 78 HD3 PRO 13 HD1 PRO 13 -2.061 0.640 6.230 79 H THR 14 H THR 14 -7.343 -1.000 5.048 80 HA THR 14 HA THR 14 -7.344 -2.995 7.198 81 HB THR 14 HB THR 14 -9.778 -1.692 5.996 82 HG1 THR 14 HG1 THR 14 -7.949 -0.649 7.922 83 HG21 THR 14 HG21 THR 14 -9.200 -2.822 8.740 84 HG22 THR 14 HG22 THR 14 -10.150 -3.603 7.476 85 HG23 THR 14 HG23 THR 14 -10.729 -2.114 8.222 86 H VAL 15 H VAL 15 -7.547 -5.079 6.653 87 HA VAL 15 HA VAL 15 -8.456 -5.722 3.956 88 HB VAL 15 HB VAL 15 -7.084 -7.437 6.034 89 HG11 VAL 15 HG11 VAL 15 -6.909 -9.134 4.253 90 HG12 VAL 15 HG12 VAL 15 -7.936 -8.134 3.227 91 HG13 VAL 15 HG13 VAL 15 -8.582 -8.817 4.719 92 HG21 VAL 15 HG21 VAL 15 -5.190 -7.378 4.502 93 HG22 VAL 15 HG22 VAL 15 -5.653 -5.744 4.974 94 HG23 VAL 15 HG23 VAL 15 -6.104 -6.366 3.384 95 H ASP 16 H ASP 16 -10.508 -6.175 3.661 96 HA ASP 16 HA ASP 16 -11.991 -7.558 5.805 97 HB2 ASP 16 HB2 ASP 16 -13.015 -5.597 3.739 98 HB3 ASP 16 HB1 ASP 16 -14.051 -6.537 4.805 99 H GLN 17 H GLN 17 -13.878 -8.827 4.926 100 HA GLN 17 HA GLN 17 -14.620 -10.625 3.766 101 HB2 GLN 17 HB2 GLN 17 -13.689 -8.890 1.487 102 HB3 GLN 17 HB1 GLN 17 -14.577 -10.371 1.253 103 HG2 GLN 17 HG2 GLN 17 -16.454 -9.476 2.502 104 HG3 GLN 17 HG1 GLN 17 -15.553 -7.992 2.807 105 HE21 GLN 17 HE21 GLN 17 -15.293 -6.510 1.172 106 HE22 GLN 17 HE22 GLN 17 -16.183 -6.576 -0.307 107 H VAL 18 H VAL 18 -12.547 -11.486 4.907 108 HA VAL 18 HA VAL 18 -10.460 -12.345 3.111 109 HB VAL 18 HB VAL 18 -10.977 -13.176 5.975 110 HG11 VAL 18 HG11 VAL 18 -8.617 -13.862 5.960 111 HG12 VAL 18 HG12 VAL 18 -8.525 -13.470 4.243 112 HG13 VAL 18 HG13 VAL 18 -9.579 -14.772 4.795 113 HG21 VAL 18 HG21 VAL 18 -9.235 -11.561 6.564 114 HG22 VAL 18 HG22 VAL 18 -10.609 -10.770 5.792 115 HG23 VAL 18 HG23 VAL 18 -9.129 -11.058 4.877 116 H ASP 19 H ASP 19 -10.764 -13.955 1.748 117 HA ASP 19 HA ASP 19 -12.538 -16.177 2.525 118 HB2 ASP 19 HB2 ASP 19 -13.031 -14.754 0.428 119 HB3 ASP 19 HB1 ASP 19 -11.638 -15.552 -0.290 120 H ASP 20 H ASP 20 -11.443 -17.880 0.371 121 HA ASP 20 HA ASP 20 -9.209 -18.940 1.837 122 HB2 ASP 20 HB2 ASP 20 -10.573 -19.780 -0.719 123 HB3 ASP 20 HB1 ASP 20 -9.128 -20.586 -0.126 124 H THR 21 H THR 21 -9.611 -17.589 -1.438 125 HA THR 21 HA THR 21 -6.695 -17.205 -1.515 126 HB THR 21 HB THR 21 -7.004 -17.489 -4.059 127 HG1 THR 21 HG1 THR 21 -9.308 -17.505 -4.032 128 HG21 THR 21 HG21 THR 21 -5.799 -19.096 -2.705 129 HG22 THR 21 HG22 THR 21 -6.804 -19.937 -3.884 130 HG23 THR 21 HG23 THR 21 -7.315 -19.845 -2.198 131 H SER 22 H SER 22 -9.114 -15.350 -0.944 132 HA SER 22 HA SER 22 -8.110 -13.168 -2.571 133 HB2 SER 22 HB2 SER 22 -10.417 -12.480 -3.255 134 HB3 SER 22 HB1 SER 22 -9.877 -13.987 -3.996 135 HG SER 22 HG SER 22 -11.203 -15.124 -2.685 136 H ILE 23 H ILE 23 -8.311 -11.186 -1.653 137 HA ILE 23 HA ILE 23 -9.958 -10.914 0.770 138 HB ILE 23 HB ILE 23 -8.263 -9.633 1.914 139 HG12 ILE 23 HG12 ILE 23 -6.229 -10.249 -0.203 140 HG13 ILE 23 HG11 ILE 23 -7.288 -8.855 -0.390 141 HG21 ILE 23 HG21 ILE 23 -7.089 -12.217 0.897 142 HG22 ILE 23 HG22 ILE 23 -8.182 -12.033 2.269 143 HG23 ILE 23 HG23 ILE 23 -6.560 -11.343 2.336 144 HD11 ILE 23 HD11 ILE 23 -6.486 -8.137 1.908 145 HD12 ILE 23 HD12 ILE 23 -5.334 -8.026 0.579 146 HD13 ILE 23 HD13 ILE 23 -5.231 -9.364 1.728 147 H VAL 24 H VAL 24 -10.597 -8.709 1.200 148 HA VAL 24 HA VAL 24 -10.223 -6.895 -1.090 149 HB VAL 24 HB VAL 24 -12.357 -6.825 1.059 150 HG11 VAL 24 HG11 VAL 24 -13.368 -5.035 -0.281 151 HG12 VAL 24 HG12 VAL 24 -11.982 -5.074 -1.371 152 HG13 VAL 24 HG13 VAL 24 -11.769 -4.583 0.309 153 HG21 VAL 24 HG21 VAL 24 -12.674 -8.649 -0.532 154 HG22 VAL 24 HG22 VAL 24 -12.546 -7.511 -1.873 155 HG23 VAL 24 HG23 VAL 24 -13.900 -7.400 -0.747 156 H VAL 25 H VAL 25 -8.500 -5.675 -0.694 157 HA VAL 25 HA VAL 25 -7.955 -4.820 2.044 158 HB VAL 25 HB VAL 25 -6.043 -5.810 1.042 159 HG11 VAL 25 HG11 VAL 25 -6.473 -3.983 -1.306 160 HG12 VAL 25 HG12 VAL 25 -6.639 -5.741 -1.268 161 HG13 VAL 25 HG13 VAL 25 -5.053 -5.002 -1.062 162 HG21 VAL 25 HG21 VAL 25 -4.396 -4.011 1.005 163 HG22 VAL 25 HG22 VAL 25 -5.528 -3.835 2.349 164 HG23 VAL 25 HG23 VAL 25 -5.696 -2.821 0.915 165 H ARG 26 H ARG 26 -8.641 -2.954 2.688 166 HA ARG 26 HA ARG 26 -9.204 -0.840 0.716 167 HB2 ARG 26 HB2 ARG 26 -10.365 -1.343 3.465 168 HB3 ARG 26 HB1 ARG 26 -10.735 0.059 2.471 169 HG2 ARG 26 HG2 ARG 26 -11.795 -1.300 0.822 170 HG3 ARG 26 HG1 ARG 26 -11.249 -2.778 1.616 171 HD2 ARG 26 HD2 ARG 26 -12.675 -2.410 3.476 172 HD3 ARG 26 HD1 ARG 26 -13.040 -0.767 2.955 173 HE ARG 26 HE ARG 26 -14.030 -2.039 0.914 174 HH11 ARG 26 HH11 ARG 26 -14.149 -3.128 4.243 175 HH12 ARG 26 HH12 ARG 26 -15.710 -3.873 4.063 176 HH21 ARG 26 HH21 ARG 26 -16.048 -3.055 0.672 177 HH22 ARG 26 HH22 ARG 26 -16.782 -3.845 2.034 178 H TRP 27 H TRP 27 -8.728 1.349 1.341 179 HA TRP 27 HA TRP 27 -7.078 1.719 3.706 180 HB2 TRP 27 HB2 TRP 27 -5.331 2.946 2.409 181 HB3 TRP 27 HB1 TRP 27 -5.379 1.223 2.063 182 HD1 TRP 27 HD1 TRP 27 -6.132 4.623 0.451 183 HE1 TRP 27 HE1 TRP 27 -6.282 4.302 -2.098 184 HE3 TRP 27 HE3 TRP 27 -5.883 -0.482 0.254 185 HZ2 TRP 27 HZ2 TRP 27 -6.284 2.173 -3.945 186 HZ3 TRP 27 HZ3 TRP 27 -5.961 -1.579 -1.945 187 HH2 TRP 27 HH2 TRP 27 -6.158 -0.277 -4.001 188 H SER 28 H SER 28 -7.370 3.695 4.623 189 HA SER 28 HA SER 28 -9.388 5.398 3.507 190 HB2 SER 28 HB2 SER 28 -7.574 5.934 5.872 191 HB3 SER 28 HB1 SER 28 -9.098 6.743 5.504 192 HG SER 28 HG SER 28 -8.630 4.165 6.505 193 H ARG 29 H ARG 29 -8.928 6.650 1.847 194 HA ARG 29 HA ARG 29 -6.221 7.578 1.409 195 HB2 ARG 29 HB2 ARG 29 -7.040 8.290 -0.798 196 HB3 ARG 29 HB1 ARG 29 -7.377 6.597 -0.481 197 HG2 ARG 29 HG2 ARG 29 -9.309 7.399 -1.497 198 HG3 ARG 29 HG1 ARG 29 -9.706 7.376 0.220 199 HD2 ARG 29 HD2 ARG 29 -9.096 9.771 0.334 200 HD3 ARG 29 HD1 ARG 29 -8.876 9.760 -1.415 201 HE ARG 29 HE ARG 29 -11.417 8.768 -0.918 202 HH11 ARG 29 HH11 ARG 29 -9.678 11.776 -0.440 203 HH12 ARG 29 HH12 ARG 29 -11.109 12.753 -0.565 204 HH21 ARG 29 HH21 ARG 29 -13.288 10.061 -1.080 205 HH22 ARG 29 HH22 ARG 29 -13.155 11.782 -0.923 206 HA PRO 30 HA PRO 30 -6.578 11.745 2.806 207 HB2 PRO 30 HB2 PRO 30 -5.778 13.077 0.472 208 HB3 PRO 30 HB1 PRO 30 -4.717 12.529 1.772 209 HG2 PRO 30 HG2 PRO 30 -5.338 11.240 -0.842 210 HG3 PRO 30 HG1 PRO 30 -3.816 11.267 0.067 211 HD2 PRO 30 HD2 PRO 30 -5.358 9.087 0.022 212 HD3 PRO 30 HD1 PRO 30 -4.496 9.563 1.491 213 H1 MET 31 HT1 MET 31 -8.054 31.441 2.250 214 H2 MET 31 HT2 MET 31 -7.633 31.977 0.704 215 H3 MET 31 HT3 MET 31 -9.260 31.791 1.117 216 HA MET 31 HA MET 31 -8.604 34.112 1.102 217 HB2 MET 31 HB2 MET 31 -9.193 33.000 3.856 218 HB3 MET 31 HB1 MET 31 -9.381 34.684 3.389 219 HG2 MET 31 HG2 MET 31 -11.055 33.994 1.714 220 HG3 MET 31 HG1 MET 31 -10.910 32.337 2.294 221 HE1 MET 31 HE1 MET 31 -13.521 32.203 2.731 222 HE2 MET 31 HE2 MET 31 -13.694 33.849 2.119 223 HE3 MET 31 HE3 MET 31 -14.418 33.403 3.663 224 H ARG 32 H ARG 32 -7.121 32.530 3.934 225 HA ARG 32 HA ARG 32 -4.889 34.420 3.732 226 HB2 ARG 32 HB2 ARG 32 -5.773 32.592 5.971 227 HB3 ARG 32 HB1 ARG 32 -4.302 33.553 6.017 228 HG2 ARG 32 HG2 ARG 32 -7.070 34.696 5.712 229 HG3 ARG 32 HG1 ARG 32 -6.199 34.564 7.242 230 HD2 ARG 32 HD2 ARG 32 -4.431 35.992 6.380 231 HD3 ARG 32 HD1 ARG 32 -5.244 36.086 4.820 232 HE ARG 32 HE ARG 32 -7.017 36.965 6.803 233 HH11 ARG 32 HH11 ARG 32 -4.033 37.944 5.272 234 HH12 ARG 32 HH12 ARG 32 -4.317 39.640 5.498 235 HH21 ARG 32 HH21 ARG 32 -7.403 39.207 7.104 236 HH22 ARG 32 HH22 ARG 32 -6.232 40.355 6.538 237 H GLY 33 H GLY 33 -2.864 33.748 3.267 238 HA2 GLY 33 HA2 GLY 33 -1.112 32.229 2.957 239 HA3 GLY 33 HA1 GLY 33 -2.230 30.908 3.272 240 H SER 34 H SER 34 -0.322 31.142 1.118 241 HA SER 34 HA SER 34 -1.875 31.680 -1.260 242 HB2 SER 34 HB2 SER 34 0.912 30.528 -0.982 243 HB3 SER 34 HB1 SER 34 0.183 31.157 -2.461 244 HG SER 34 HG SER 34 1.203 32.511 -0.249 245 H ASN 35 H ASN 35 -2.452 30.154 -2.810 246 HA ASN 35 HA ASN 35 -2.914 27.482 -1.730 247 HB2 ASN 35 HB2 ASN 35 -3.963 28.804 -4.246 248 HB3 ASN 35 HB1 ASN 35 -4.433 27.211 -3.663 249 HD21 ASN 35 HD21 ASN 35 -5.853 27.035 -1.968 250 HD22 ASN 35 HD22 ASN 35 -6.708 28.388 -1.311 251 H ALA 36 H ALA 36 -1.664 25.835 -2.265 252 HA ALA 36 HA ALA 36 -0.117 25.981 -4.772 253 HB1 ALA 36 HB1 ALA 36 1.648 24.708 -3.648 254 HB2 ALA 36 HB2 ALA 36 0.708 24.714 -2.156 255 HB3 ALA 36 HB3 ALA 36 1.332 26.228 -2.812 256 HA PRO 37 HA PRO 37 -2.190 22.287 -6.130 257 HB2 PRO 37 HB2 PRO 37 0.561 21.462 -6.947 258 HB3 PRO 37 HB1 PRO 37 -0.938 21.457 -7.883 259 HG2 PRO 37 HG2 PRO 37 0.887 23.350 -8.278 260 HG3 PRO 37 HG1 PRO 37 -0.842 23.740 -8.297 261 HD2 PRO 37 HD2 PRO 37 1.200 24.279 -6.192 262 HD3 PRO 37 HD1 PRO 37 -0.208 25.245 -6.675 263 H GLN 38 H GLN 38 -2.807 21.074 -4.450 264 HA GLN 38 HA GLN 38 -1.062 20.240 -2.391 265 HB2 GLN 38 HB2 GLN 38 -3.897 19.421 -3.027 266 HB3 GLN 38 HB1 GLN 38 -3.048 18.987 -1.551 267 HG2 GLN 38 HG2 GLN 38 -2.789 21.396 -1.045 268 HG3 GLN 38 HG1 GLN 38 -3.762 21.761 -2.468 269 HE21 GLN 38 HE21 GLN 38 -5.495 19.431 -2.035 270 HE22 GLN 38 HE22 GLN 38 -6.533 19.859 -0.722 271 HA PRO 39 HA PRO 39 0.336 16.349 -4.021 272 HB2 PRO 39 HB2 PRO 39 1.373 15.357 -1.730 273 HB3 PRO 39 HB1 PRO 39 2.165 16.639 -2.653 274 HG2 PRO 39 HG2 PRO 39 0.458 16.843 -0.205 275 HG3 PRO 39 HG1 PRO 39 1.969 17.688 -0.587 276 HD2 PRO 39 HD2 PRO 39 -0.479 18.833 -0.868 277 HD3 PRO 39 HD1 PRO 39 0.909 19.256 -1.889 278 H SER 40 H SER 40 -2.146 16.863 -1.814 279 HA SER 40 HA SER 40 -2.796 14.147 -1.187 280 HB2 SER 40 HB2 SER 40 -4.622 16.558 -1.085 281 HB3 SER 40 HB1 SER 40 -4.759 15.067 -0.155 282 HG SER 40 HG SER 40 -2.651 15.651 0.767 283 H HIS 41 H HIS 41 -2.366 14.381 -3.890 284 HA HIS 41 HA HIS 41 -4.956 13.609 -4.981 285 HB2 HIS 41 HB2 HIS 41 -4.512 16.050 -5.544 286 HB3 HIS 41 HB1 HIS 41 -3.119 15.504 -6.467 287 HD1 HIS 41 HD1 HIS 41 -6.776 15.889 -6.630 288 HD2 HIS 41 HD2 HIS 41 -3.795 13.985 -8.815 289 HE1 HIS 41 HE1 HIS 41 -7.821 15.311 -8.842 290 HE2 HIS 41 HE2 HIS 41 -6.045 14.040 -10.093 291 H ILE 42 H ILE 42 -4.139 11.530 -4.863 292 HA ILE 42 HA ILE 42 -1.534 10.876 -5.869 293 HB ILE 42 HB ILE 42 -3.796 9.227 -4.753 294 HG12 ILE 42 HG12 ILE 42 -2.059 8.707 -3.010 295 HG13 ILE 42 HG11 ILE 42 -1.008 9.888 -3.779 296 HG21 ILE 42 HG21 ILE 42 -2.332 7.264 -4.861 297 HG22 ILE 42 HG22 ILE 42 -1.162 8.202 -5.791 298 HG23 ILE 42 HG23 ILE 42 -2.758 7.868 -6.462 299 HD11 ILE 42 HD11 ILE 42 -3.671 10.432 -2.488 300 HD12 ILE 42 HD12 ILE 42 -2.666 11.633 -3.296 301 HD13 ILE 42 HD13 ILE 42 -2.081 10.832 -1.838 302 H SER 43 H SER 43 -0.983 9.903 -7.737 303 HA SER 43 HA SER 43 -2.867 10.111 -9.915 304 HB2 SER 43 HB2 SER 43 -0.493 10.868 -10.111 305 HB3 SER 43 HB1 SER 43 0.021 9.191 -9.944 306 HG SER 43 HG SER 43 -0.423 10.317 -12.159 307 H LYS 44 H LYS 44 -1.212 7.596 -8.103 308 HA LYS 44 HA LYS 44 -3.162 5.648 -8.811 309 HB2 LYS 44 HB2 LYS 44 -1.690 4.065 -9.957 310 HB3 LYS 44 HB1 LYS 44 -1.828 5.562 -10.869 311 HG2 LYS 44 HG2 LYS 44 0.341 6.288 -9.995 312 HG3 LYS 44 HG1 LYS 44 0.481 4.770 -9.106 313 HD2 LYS 44 HD2 LYS 44 0.381 3.540 -11.233 314 HD3 LYS 44 HD1 LYS 44 0.299 5.075 -12.101 315 HE2 LYS 44 HE2 LYS 44 2.476 5.703 -11.137 316 HE3 LYS 44 HE1 LYS 44 2.559 4.133 -10.342 317 HZ1 LYS 44 HZ1 LYS 44 3.822 4.128 -12.380 318 HZ2 LYS 44 HZ2 LYS 44 2.463 4.597 -13.268 319 HZ3 LYS 44 HZ3 LYS 44 2.500 3.081 -12.524 320 H TYR 45 H TYR 45 -3.024 3.791 -7.537 321 HA TYR 45 HA TYR 45 -1.027 3.911 -5.366 322 HB2 TYR 45 HB2 TYR 45 -3.748 2.568 -5.405 323 HB3 TYR 45 HB1 TYR 45 -2.634 2.576 -4.046 324 HD1 TYR 45 HD1 TYR 45 -2.323 4.582 -2.705 325 HD2 TYR 45 HD2 TYR 45 -5.052 4.533 -5.965 326 HE1 TYR 45 HE1 TYR 45 -3.350 6.652 -1.867 327 HE2 TYR 45 HE2 TYR 45 -6.085 6.604 -5.140 328 HH TYR 45 HH TYR 45 -6.318 7.817 -3.000 329 H ILE 46 H ILE 46 0.290 2.160 -5.059 330 HA ILE 46 HA ILE 46 -0.159 -0.140 -6.844 331 HB ILE 46 HB ILE 46 2.457 0.990 -5.833 332 HG12 ILE 46 HG12 ILE 46 2.936 0.912 -8.360 333 HG13 ILE 46 HG11 ILE 46 1.202 0.700 -8.559 334 HG21 ILE 46 HG21 ILE 46 3.563 -0.866 -7.003 335 HG22 ILE 46 HG22 ILE 46 1.986 -1.588 -7.323 336 HG23 ILE 46 HG23 ILE 46 2.560 -1.427 -5.663 337 HD11 ILE 46 HD11 ILE 46 1.793 3.007 -8.862 338 HD12 ILE 46 HD12 ILE 46 2.589 3.046 -7.289 339 HD13 ILE 46 HD13 ILE 46 0.841 2.834 -7.389 340 H LEU 47 H LEU 47 -0.701 -1.933 -5.885 341 HA LEU 47 HA LEU 47 -0.180 -2.272 -3.023 342 HB2 LEU 47 HB2 LEU 47 -2.465 -2.659 -4.309 343 HB3 LEU 47 HB1 LEU 47 -1.749 -4.204 -4.703 344 HG LEU 47 HG LEU 47 -3.245 -4.432 -2.812 345 HD11 LEU 47 HD11 LEU 47 -0.353 -4.685 -2.021 346 HD12 LEU 47 HD12 LEU 47 -1.373 -5.915 -2.773 347 HD13 LEU 47 HD13 LEU 47 -1.707 -5.378 -1.127 348 HD21 LEU 47 HD21 LEU 47 -1.500 -2.418 -1.410 349 HD22 LEU 47 HD22 LEU 47 -2.849 -3.304 -0.700 350 HD23 LEU 47 HD23 LEU 47 -3.140 -2.141 -1.993 351 H ARG 48 H ARG 48 1.643 -3.299 -2.512 352 HA ARG 48 HA ARG 48 2.597 -5.437 -4.304 353 HB2 ARG 48 HB2 ARG 48 4.075 -3.550 -2.495 354 HB3 ARG 48 HB1 ARG 48 4.790 -5.079 -2.974 355 HG2 ARG 48 HG2 ARG 48 4.550 -4.413 -5.324 356 HG3 ARG 48 HG1 ARG 48 3.915 -2.852 -4.791 357 HD2 ARG 48 HD2 ARG 48 6.004 -2.451 -3.560 358 HD3 ARG 48 HD1 ARG 48 6.634 -3.987 -4.149 359 HE ARG 48 HE ARG 48 5.935 -2.627 -6.400 360 HH11 ARG 48 HH11 ARG 48 7.987 -1.900 -3.664 361 HH12 ARG 48 HH12 ARG 48 9.099 -0.945 -4.592 362 HH21 ARG 48 HH21 ARG 48 7.391 -1.395 -7.631 363 HH22 ARG 48 HH22 ARG 48 8.760 -0.653 -6.851 364 H TRP 49 H TRP 49 2.884 -7.462 -3.499 365 HA TRP 49 HA TRP 49 2.886 -7.861 -0.626 366 HB2 TRP 49 HB2 TRP 49 1.052 -9.443 -0.611 367 HB3 TRP 49 HB1 TRP 49 0.489 -7.903 -1.246 368 HD1 TRP 49 HD1 TRP 49 0.811 -11.548 -2.130 369 HE1 TRP 49 HE1 TRP 49 -0.238 -11.972 -4.442 370 HE3 TRP 49 HE3 TRP 49 0.166 -6.707 -3.636 371 HZ2 TRP 49 HZ2 TRP 49 -1.205 -10.454 -6.615 372 HZ3 TRP 49 HZ3 TRP 49 -0.829 -6.279 -5.840 373 HH2 TRP 49 HH2 TRP 49 -1.497 -8.115 -7.302 374 H ARG 50 H ARG 50 3.836 -9.749 0.037 375 HA ARG 50 HA ARG 50 4.569 -11.741 -1.974 376 HB2 ARG 50 HB2 ARG 50 6.878 -11.865 -1.204 377 HB3 ARG 50 HB1 ARG 50 6.536 -10.237 -1.769 378 HG2 ARG 50 HG2 ARG 50 6.477 -9.407 0.432 379 HG3 ARG 50 HG1 ARG 50 6.417 -11.034 1.117 380 HD2 ARG 50 HD2 ARG 50 8.684 -11.403 -0.000 381 HD3 ARG 50 HD1 ARG 50 8.726 -9.651 -0.221 382 HE ARG 50 HE ARG 50 8.192 -10.641 2.456 383 HH11 ARG 50 HH11 ARG 50 10.609 -9.444 0.212 384 HH12 ARG 50 HH12 ARG 50 11.649 -8.837 1.461 385 HH21 ARG 50 HH21 ARG 50 9.549 -9.825 4.093 386 HH22 ARG 50 HH22 ARG 50 11.054 -9.065 3.666 387 HA PRO 51 HA PRO 51 3.395 -14.540 1.293 388 HB2 PRO 51 HB2 PRO 51 4.920 -16.693 0.545 389 HB3 PRO 51 HB1 PRO 51 3.384 -16.266 -0.216 390 HG2 PRO 51 HG2 PRO 51 6.175 -15.690 -1.127 391 HG3 PRO 51 HG1 PRO 51 4.771 -16.212 -2.078 392 HD2 PRO 51 HD2 PRO 51 5.591 -13.651 -2.041 393 HD3 PRO 51 HD1 PRO 51 3.872 -14.083 -2.150 394 H LYS 52 H LYS 52 4.124 -14.241 3.271 395 HA LYS 52 HA LYS 52 6.707 -13.343 3.916 396 HB2 LYS 52 HB2 LYS 52 4.403 -13.153 5.138 397 HB3 LYS 52 HB1 LYS 52 4.880 -14.661 5.893 398 HG2 LYS 52 HG2 LYS 52 6.526 -12.149 6.015 399 HG3 LYS 52 HG1 LYS 52 5.324 -12.604 7.223 400 HD2 LYS 52 HD2 LYS 52 6.571 -14.683 7.644 401 HD3 LYS 52 HD1 LYS 52 7.791 -14.170 6.476 402 HE2 LYS 52 HE2 LYS 52 8.267 -12.199 7.834 403 HE3 LYS 52 HE1 LYS 52 7.036 -12.693 8.993 404 HZ1 LYS 52 HZ1 LYS 52 8.326 -14.707 9.418 405 HZ2 LYS 52 HZ2 LYS 52 9.215 -13.313 9.766 406 HZ3 LYS 52 HZ3 LYS 52 9.524 -14.177 8.347 407 H ASN 53 H ASN 53 5.223 -16.531 4.041 408 HA ASN 53 HA ASN 53 7.473 -17.686 5.434 409 HB2 ASN 53 HB2 ASN 53 6.179 -19.832 5.173 410 HB3 ASN 53 HB1 ASN 53 5.364 -18.565 6.072 411 HD21 ASN 53 HD21 ASN 53 5.644 -18.916 2.534 412 HD22 ASN 53 HD22 ASN 53 3.946 -19.094 2.269 413 H SER 54 H SER 54 7.305 -16.672 2.442 414 HA SER 54 HA SER 54 8.916 -18.888 1.388 415 HB2 SER 54 HB2 SER 54 6.847 -17.375 -0.216 416 HB3 SER 54 HB1 SER 54 7.808 -18.753 -0.755 417 HG SER 54 HG SER 54 6.507 -20.074 0.260 418 H VAL 55 H VAL 55 10.255 -18.203 -0.481 419 HA VAL 55 HA VAL 55 11.317 -15.537 -0.095 420 HB VAL 55 HB VAL 55 12.779 -17.542 -0.307 421 HG11 VAL 55 HG11 VAL 55 11.808 -17.566 -3.155 422 HG12 VAL 55 HG12 VAL 55 11.515 -18.799 -1.931 423 HG13 VAL 55 HG13 VAL 55 13.151 -18.521 -2.528 424 HG21 VAL 55 HG21 VAL 55 14.410 -16.538 -1.826 425 HG22 VAL 55 HG22 VAL 55 13.678 -15.341 -0.759 426 HG23 VAL 55 HG23 VAL 55 13.162 -15.455 -2.440 427 H GLY 56 H GLY 56 8.704 -15.688 -1.093 428 HA2 GLY 56 HA2 GLY 56 8.565 -15.486 -3.924 429 HA3 GLY 56 HA1 GLY 56 7.311 -15.019 -2.787 430 H ARG 57 H ARG 57 7.819 -13.586 -5.084 431 HA ARG 57 HA ARG 57 9.402 -11.270 -4.231 432 HB2 ARG 57 HB2 ARG 57 8.404 -11.994 -6.993 433 HB3 ARG 57 HB1 ARG 57 9.497 -10.675 -6.594 434 HG2 ARG 57 HG2 ARG 57 10.058 -13.622 -6.315 435 HG3 ARG 57 HG1 ARG 57 10.754 -12.517 -7.503 436 HD2 ARG 57 HD2 ARG 57 11.874 -11.288 -5.764 437 HD3 ARG 57 HD1 ARG 57 11.081 -12.247 -4.520 438 HE ARG 57 HE ARG 57 12.534 -13.945 -6.233 439 HH11 ARG 57 HH11 ARG 57 13.051 -11.501 -3.784 440 HH12 ARG 57 HH12 ARG 57 14.529 -12.201 -3.212 441 HH21 ARG 57 HH21 ARG 57 14.481 -14.874 -5.486 442 HH22 ARG 57 HH22 ARG 57 15.348 -14.122 -4.186 443 H TRP 58 H TRP 58 8.579 -9.137 -4.755 444 HA TRP 58 HA TRP 58 5.899 -8.861 -3.801 445 HB2 TRP 58 HB2 TRP 58 7.823 -6.781 -4.866 446 HB3 TRP 58 HB1 TRP 58 6.304 -6.432 -4.052 447 HD1 TRP 58 HD1 TRP 58 9.891 -7.490 -3.378 448 HE1 TRP 58 HE1 TRP 58 10.344 -7.359 -0.854 449 HE3 TRP 58 HE3 TRP 58 5.118 -6.660 -1.747 450 HZ2 TRP 58 HZ2 TRP 58 8.868 -6.962 1.518 451 HZ3 TRP 58 HZ3 TRP 58 4.726 -6.413 0.667 452 HH2 TRP 58 HH2 TRP 58 6.564 -6.561 2.266 453 H LYS 59 H LYS 59 4.202 -9.181 -5.072 454 HA LYS 59 HA LYS 59 4.294 -8.594 -7.903 455 HB2 LYS 59 HB2 LYS 59 2.087 -9.561 -6.083 456 HB3 LYS 59 HB1 LYS 59 1.847 -9.235 -7.794 457 HG2 LYS 59 HG2 LYS 59 3.453 -10.942 -8.382 458 HG3 LYS 59 HG1 LYS 59 3.806 -11.228 -6.677 459 HD2 LYS 59 HD2 LYS 59 1.548 -11.999 -6.298 460 HD3 LYS 59 HD1 LYS 59 1.101 -11.602 -7.959 461 HE2 LYS 59 HE2 LYS 59 1.515 -14.005 -7.656 462 HE3 LYS 59 HE1 LYS 59 2.633 -13.274 -8.804 463 HZ1 LYS 59 HZ1 LYS 59 4.328 -13.228 -7.113 464 HZ2 LYS 59 HZ2 LYS 59 3.729 -14.803 -7.260 465 HZ3 LYS 59 HZ3 LYS 59 3.255 -13.838 -5.957 466 H GLU 60 H GLU 60 3.226 -6.908 -8.921 467 HA GLU 60 HA GLU 60 2.438 -4.733 -7.103 468 HB2 GLU 60 HB2 GLU 60 3.717 -4.551 -9.837 469 HB3 GLU 60 HB1 GLU 60 3.217 -3.178 -8.858 470 HG2 GLU 60 HG2 GLU 60 4.820 -3.791 -7.145 471 HG3 GLU 60 HG1 GLU 60 5.299 -5.206 -8.079 472 H ALA 61 H ALA 61 0.412 -4.147 -7.185 473 HA ALA 61 HA ALA 61 -1.081 -4.503 -9.702 474 HB1 ALA 61 HB1 ALA 61 -3.111 -4.597 -8.343 475 HB2 ALA 61 HB2 ALA 61 -2.147 -4.398 -6.881 476 HB3 ALA 61 HB3 ALA 61 -1.970 -5.852 -7.862 477 H THR 62 H THR 62 -1.857 -2.708 -10.655 478 HA THR 62 HA THR 62 -1.309 -0.165 -9.316 479 HB THR 62 HB THR 62 -1.946 -0.659 -12.231 480 HG1 THR 62 HG1 THR 62 0.029 -1.631 -11.711 481 HG21 THR 62 HG21 THR 62 -1.001 1.586 -12.554 482 HG22 THR 62 HG22 THR 62 -0.787 1.745 -10.809 483 HG23 THR 62 HG23 THR 62 -2.410 1.628 -11.492 484 H ILE 63 H ILE 63 -2.929 0.790 -8.331 485 HA ILE 63 HA ILE 63 -5.674 0.412 -9.338 486 HB ILE 63 HB ILE 63 -4.773 1.340 -6.599 487 HG12 ILE 63 HG12 ILE 63 -6.027 -0.938 -6.049 488 HG13 ILE 63 HG11 ILE 63 -5.498 -1.342 -7.676 489 HG21 ILE 63 HG21 ILE 63 -7.531 0.624 -7.569 490 HG22 ILE 63 HG22 ILE 63 -6.939 2.262 -7.295 491 HG23 ILE 63 HG23 ILE 63 -7.095 1.141 -5.941 492 HD11 ILE 63 HD11 ILE 63 -3.725 -0.520 -5.386 493 HD12 ILE 63 HD12 ILE 63 -3.183 -0.897 -7.022 494 HD13 ILE 63 HD13 ILE 63 -3.924 -2.152 -6.029 495 HA PRO 64 HA PRO 64 -5.616 4.602 -10.899 496 HB2 PRO 64 HB2 PRO 64 -8.472 4.446 -10.049 497 HB3 PRO 64 HB1 PRO 64 -7.784 4.975 -11.588 498 HG2 PRO 64 HG2 PRO 64 -8.925 2.578 -11.351 499 HG3 PRO 64 HG1 PRO 64 -7.483 2.813 -12.352 500 HD2 PRO 64 HD2 PRO 64 -7.751 1.524 -9.688 501 HD3 PRO 64 HD1 PRO 64 -6.616 1.174 -11.005 502 H GLY 65 H GLY 65 -5.434 6.611 -10.020 503 HA2 GLY 65 HA2 GLY 65 -5.265 6.771 -7.162 504 HA3 GLY 65 HA1 GLY 65 -4.899 8.055 -8.302 505 H HIS 66 H HIS 66 -7.890 6.252 -7.739 506 HA HIS 66 HA HIS 66 -9.092 8.439 -6.321 507 HB2 HIS 66 HB2 HIS 66 -11.007 8.711 -7.890 508 HB3 HIS 66 HB1 HIS 66 -9.484 9.281 -8.552 509 HD1 HIS 66 HD1 HIS 66 -8.763 8.315 -10.761 510 HD2 HIS 66 HD2 HIS 66 -11.919 6.218 -9.043 511 HE1 HIS 66 HE1 HIS 66 -9.560 6.715 -12.529 512 HE2 HIS 66 HE2 HIS 66 -11.546 5.546 -11.510 513 H LEU 67 H LEU 67 -8.423 5.530 -6.183 514 HA LEU 67 HA LEU 67 -11.081 4.605 -5.314 515 HB2 LEU 67 HB2 LEU 67 -8.795 2.882 -6.283 516 HB3 LEU 67 HB1 LEU 67 -10.348 2.305 -5.718 517 HG LEU 67 HG LEU 67 -9.814 3.864 -8.244 518 HD11 LEU 67 HD11 LEU 67 -10.811 1.060 -7.797 519 HD12 LEU 67 HD12 LEU 67 -9.189 1.505 -8.315 520 HD13 LEU 67 HD13 LEU 67 -10.568 1.846 -9.356 521 HD21 LEU 67 HD21 LEU 67 -11.939 4.559 -7.253 522 HD22 LEU 67 HD22 LEU 67 -12.440 2.872 -7.139 523 HD23 LEU 67 HD23 LEU 67 -12.192 3.614 -8.719 524 H ASN 68 H ASN 68 -10.999 3.138 -3.430 525 HA ASN 68 HA ASN 68 -8.576 3.505 -1.803 526 HB2 ASN 68 HB2 ASN 68 -9.848 4.096 0.140 527 HB3 ASN 68 HB1 ASN 68 -10.355 5.161 -1.164 528 HD21 ASN 68 HD21 ASN 68 -11.703 4.345 1.296 529 HD22 ASN 68 HD22 ASN 68 -13.219 3.668 0.814 530 H SER 69 H SER 69 -9.962 1.261 -3.351 531 HA SER 69 HA SER 69 -9.599 -0.753 -1.306 532 HB2 SER 69 HB2 SER 69 -11.977 -0.145 -1.066 533 HB3 SER 69 HB1 SER 69 -12.236 -0.488 -2.773 534 HG SER 69 HG SER 69 -11.110 -2.480 -1.154 535 H TYR 70 H TYR 70 -8.786 -2.594 -2.119 536 HA TYR 70 HA TYR 70 -9.136 -3.146 -4.981 537 HB2 TYR 70 HB2 TYR 70 -6.914 -2.150 -4.723 538 HB3 TYR 70 HB1 TYR 70 -6.522 -3.307 -3.457 539 HD1 TYR 70 HD1 TYR 70 -5.296 -5.167 -4.029 540 HD2 TYR 70 HD2 TYR 70 -7.634 -3.264 -7.030 541 HE1 TYR 70 HE1 TYR 70 -4.398 -6.723 -5.707 542 HE2 TYR 70 HE2 TYR 70 -6.742 -4.815 -8.717 543 HH TYR 70 HH TYR 70 -4.994 -7.625 -7.884 544 H THR 71 H THR 71 -9.337 -5.318 -5.487 545 HA THR 71 HA THR 71 -9.486 -7.146 -3.192 546 HB THR 71 HB THR 71 -10.619 -7.547 -5.969 547 HG1 THR 71 HG1 THR 71 -11.459 -5.856 -4.181 548 HG21 THR 71 HG21 THR 71 -10.225 -9.624 -4.729 549 HG22 THR 71 HG22 THR 71 -11.951 -9.304 -4.895 550 HG23 THR 71 HG23 THR 71 -11.139 -8.986 -3.362 551 H ILE 72 H ILE 72 -7.777 -8.442 -2.923 552 HA ILE 72 HA ILE 72 -5.965 -8.895 -5.168 553 HB ILE 72 HB ILE 72 -5.615 -9.886 -2.337 554 HG12 ILE 72 HG12 ILE 72 -4.613 -7.300 -3.557 555 HG13 ILE 72 HG11 ILE 72 -5.849 -7.437 -2.310 556 HG21 ILE 72 HG21 ILE 72 -3.235 -9.959 -2.971 557 HG22 ILE 72 HG22 ILE 72 -3.667 -9.443 -4.600 558 HG23 ILE 72 HG23 ILE 72 -4.229 -10.998 -3.991 559 HD11 ILE 72 HD11 ILE 72 -2.921 -8.048 -2.086 560 HD12 ILE 72 HD12 ILE 72 -4.100 -8.553 -0.879 561 HD13 ILE 72 HD13 ILE 72 -3.857 -6.830 -1.206 562 H LYS 73 H LYS 73 -6.037 -10.677 -6.343 563 HA LYS 73 HA LYS 73 -7.333 -13.067 -5.208 564 HB2 LYS 73 HB2 LYS 73 -7.397 -12.151 -8.092 565 HB3 LYS 73 HB1 LYS 73 -8.157 -13.600 -7.454 566 HG2 LYS 73 HG2 LYS 73 -9.683 -12.282 -6.140 567 HG3 LYS 73 HG1 LYS 73 -8.864 -10.795 -6.621 568 HD2 LYS 73 HD2 LYS 73 -9.471 -11.264 -8.969 569 HD3 LYS 73 HD1 LYS 73 -10.360 -12.690 -8.429 570 HE2 LYS 73 HE2 LYS 73 -11.833 -11.288 -7.097 571 HE3 LYS 73 HE1 LYS 73 -10.924 -9.855 -7.568 572 HZ1 LYS 73 HZ1 LYS 73 -11.585 -10.228 -9.857 573 HZ2 LYS 73 HZ2 LYS 73 -12.948 -10.105 -8.867 574 HZ3 LYS 73 HZ3 LYS 73 -12.437 -11.620 -9.415 575 H GLY 74 H GLY 74 -6.360 -15.040 -5.644 576 HA2 GLY 74 HA2 GLY 74 -4.742 -16.434 -6.693 577 HA3 GLY 74 HA1 GLY 74 -3.863 -14.992 -7.190 578 H LEU 75 H LEU 75 -5.024 -15.079 -3.971 579 HA LEU 75 HA LEU 75 -2.335 -15.322 -2.915 580 HB2 LEU 75 HB2 LEU 75 -5.007 -14.948 -1.548 581 HB3 LEU 75 HB1 LEU 75 -3.463 -14.963 -0.725 582 HG LEU 75 HG LEU 75 -4.274 -12.905 -2.790 583 HD11 LEU 75 HD11 LEU 75 -4.201 -12.761 0.215 584 HD12 LEU 75 HD12 LEU 75 -5.634 -12.689 -0.809 585 HD13 LEU 75 HD13 LEU 75 -4.443 -11.390 -0.868 586 HD21 LEU 75 HD21 LEU 75 -2.310 -11.696 -1.974 587 HD22 LEU 75 HD22 LEU 75 -1.869 -13.247 -2.688 588 HD23 LEU 75 HD23 LEU 75 -1.904 -13.061 -0.933 589 H LYS 76 H LYS 76 -1.979 -16.873 -1.042 590 HA LYS 76 HA LYS 76 -3.324 -19.427 -1.639 591 HB2 LYS 76 HB2 LYS 76 -0.568 -18.925 -0.501 592 HB3 LYS 76 HB1 LYS 76 -1.290 -20.512 -0.728 593 HG2 LYS 76 HG2 LYS 76 -1.397 -20.101 -3.148 594 HG3 LYS 76 HG1 LYS 76 -0.628 -18.533 -2.900 595 HD2 LYS 76 HD2 LYS 76 1.028 -20.153 -3.601 596 HD3 LYS 76 HD1 LYS 76 1.328 -19.677 -1.928 597 HE2 LYS 76 HE2 LYS 76 0.207 -21.717 -1.159 598 HE3 LYS 76 HE1 LYS 76 -0.076 -22.190 -2.831 599 HZ1 LYS 76 HZ1 LYS 76 2.295 -22.329 -3.175 600 HZ2 LYS 76 HZ2 LYS 76 1.852 -23.302 -1.866 601 HZ3 LYS 76 HZ3 LYS 76 2.594 -21.811 -1.594 602 HA PRO 77 HA PRO 77 -5.175 -19.005 2.352 603 HB2 PRO 77 HB2 PRO 77 -6.127 -21.558 2.573 604 HB3 PRO 77 HB1 PRO 77 -6.902 -20.304 1.598 605 HG2 PRO 77 HG2 PRO 77 -5.081 -22.514 0.745 606 HG3 PRO 77 HG1 PRO 77 -6.547 -21.901 -0.043 607 HD2 PRO 77 HD2 PRO 77 -4.067 -21.241 -0.884 608 HD3 PRO 77 HD1 PRO 77 -5.438 -20.122 -0.999 609 H GLY 78 H GLY 78 -4.147 -18.975 4.208 610 HA2 GLY 78 HA2 GLY 78 -3.317 -20.145 6.135 611 HA3 GLY 78 HA1 GLY 78 -2.654 -21.369 5.059 612 H VAL 79 H VAL 79 -1.842 -18.967 3.316 613 HA VAL 79 HA VAL 79 0.785 -18.678 4.527 614 HB VAL 79 HB VAL 79 -0.265 -17.795 1.829 615 HG11 VAL 79 HG11 VAL 79 2.537 -17.732 2.934 616 HG12 VAL 79 HG12 VAL 79 1.541 -16.338 2.508 617 HG13 VAL 79 HG13 VAL 79 2.101 -17.443 1.250 618 HG21 VAL 79 HG21 VAL 79 -0.131 -20.203 2.018 619 HG22 VAL 79 HG22 VAL 79 1.522 -20.085 2.625 620 HG23 VAL 79 HG23 VAL 79 1.155 -19.607 0.968 621 H VAL 80 H VAL 80 1.344 -16.943 5.680 622 HA VAL 80 HA VAL 80 -0.357 -14.606 5.709 623 HB VAL 80 HB VAL 80 1.088 -13.727 7.444 624 HG11 VAL 80 HG11 VAL 80 -0.577 -15.338 8.141 625 HG12 VAL 80 HG12 VAL 80 0.873 -15.495 9.132 626 HG13 VAL 80 HG13 VAL 80 0.551 -16.663 7.851 627 HG21 VAL 80 HG21 VAL 80 3.016 -15.150 8.266 628 HG22 VAL 80 HG22 VAL 80 3.272 -14.271 6.762 629 HG23 VAL 80 HG23 VAL 80 2.918 -16.000 6.722 630 H TYR 81 H TYR 81 0.151 -12.613 4.847 631 HA TYR 81 HA TYR 81 2.423 -12.650 2.975 632 HB2 TYR 81 HB2 TYR 81 -0.360 -11.556 2.662 633 HB3 TYR 81 HB1 TYR 81 0.967 -11.002 1.649 634 HD1 TYR 81 HD1 TYR 81 1.851 -12.372 -0.091 635 HD2 TYR 81 HD2 TYR 81 -1.169 -13.885 2.493 636 HE1 TYR 81 HE1 TYR 81 1.489 -14.252 -1.628 637 HE2 TYR 81 HE2 TYR 81 -1.539 -15.773 0.960 638 HH TYR 81 HH TYR 81 0.601 -16.476 -1.631 639 H GLU 82 H GLU 82 3.577 -10.809 2.642 640 HA GLU 82 HA GLU 82 3.202 -8.626 4.575 641 HB2 GLU 82 HB2 GLU 82 5.557 -9.263 2.775 642 HB3 GLU 82 HB1 GLU 82 5.497 -7.974 3.968 643 HG2 GLU 82 HG2 GLU 82 5.466 -9.521 5.762 644 HG3 GLU 82 HG1 GLU 82 5.213 -10.880 4.666 645 H GLY 83 H GLY 83 2.418 -6.713 3.830 646 HA2 GLY 83 HA2 GLY 83 2.450 -6.326 0.906 647 HA3 GLY 83 HA1 GLY 83 0.973 -6.101 1.831 648 H GLN 84 H GLN 84 2.231 -4.190 0.164 649 HA GLN 84 HA GLN 84 2.571 -2.062 2.141 650 HB2 GLN 84 HB2 GLN 84 4.392 -2.406 -0.251 651 HB3 GLN 84 HB1 GLN 84 4.439 -1.082 0.906 652 HG2 GLN 84 HG2 GLN 84 4.989 -2.713 2.681 653 HG3 GLN 84 HG1 GLN 84 5.056 -3.975 1.454 654 HE21 GLN 84 HE21 GLN 84 7.187 -4.426 1.810 655 HE22 GLN 84 HE22 GLN 84 8.468 -3.354 1.357 656 H LEU 85 H LEU 85 1.340 -0.370 1.675 657 HA LEU 85 HA LEU 85 0.102 -0.212 -0.974 658 HB2 LEU 85 HB2 LEU 85 -1.252 -0.141 1.177 659 HB3 LEU 85 HB1 LEU 85 -0.534 1.424 1.486 660 HG LEU 85 HG LEU 85 -2.870 1.448 0.528 661 HD11 LEU 85 HD11 LEU 85 -0.785 2.859 -1.127 662 HD12 LEU 85 HD12 LEU 85 -1.381 3.406 0.439 663 HD13 LEU 85 HD13 LEU 85 -2.477 3.321 -0.939 664 HD21 LEU 85 HD21 LEU 85 -1.451 0.618 -1.998 665 HD22 LEU 85 HD22 LEU 85 -3.143 1.090 -1.854 666 HD23 LEU 85 HD23 LEU 85 -2.569 -0.383 -1.074 667 H ILE 86 H ILE 86 1.231 0.915 -2.398 668 HA ILE 86 HA ILE 86 2.869 3.178 -1.470 669 HB ILE 86 HB ILE 86 3.032 1.709 -4.103 670 HG12 ILE 86 HG12 ILE 86 4.937 1.388 -1.793 671 HG13 ILE 86 HG11 ILE 86 3.514 0.362 -1.959 672 HG21 ILE 86 HG21 ILE 86 4.943 3.607 -2.742 673 HG22 ILE 86 HG22 ILE 86 3.942 3.969 -4.150 674 HG23 ILE 86 HG23 ILE 86 5.233 2.773 -4.269 675 HD11 ILE 86 HD11 ILE 86 5.668 0.652 -4.032 676 HD12 ILE 86 HD12 ILE 86 4.297 -0.462 -4.069 677 HD13 ILE 86 HD13 ILE 86 5.560 -0.653 -2.852 678 H SER 87 H SER 87 1.965 5.107 -1.772 679 HA SER 87 HA SER 87 0.061 5.452 -3.980 680 HB2 SER 87 HB2 SER 87 0.576 7.394 -1.739 681 HB3 SER 87 HB1 SER 87 -0.848 7.266 -2.765 682 HG SER 87 HG SER 87 -0.109 5.069 -1.198 683 H ILE 88 H ILE 88 0.707 6.467 -5.760 684 HA ILE 88 HA ILE 88 3.202 8.000 -5.710 685 HB ILE 88 HB ILE 88 1.532 7.143 -8.080 686 HG12 ILE 88 HG12 ILE 88 2.451 5.205 -6.900 687 HG13 ILE 88 HG11 ILE 88 3.254 5.430 -8.450 688 HG21 ILE 88 HG21 ILE 88 3.525 7.689 -9.401 689 HG22 ILE 88 HG22 ILE 88 4.317 8.286 -7.943 690 HG23 ILE 88 HG23 ILE 88 2.879 9.100 -8.561 691 HD11 ILE 88 HD11 ILE 88 4.852 4.827 -6.749 692 HD12 ILE 88 HD12 ILE 88 4.340 6.187 -5.750 693 HD13 ILE 88 HD13 ILE 88 5.144 6.480 -7.292 694 H GLN 89 H GLN 89 3.032 10.125 -5.365 695 HA GLN 89 HA GLN 89 0.536 11.506 -5.860 696 HB2 GLN 89 HB2 GLN 89 3.170 12.687 -4.988 697 HB3 GLN 89 HB1 GLN 89 1.584 13.432 -4.863 698 HG2 GLN 89 HG2 GLN 89 0.922 11.690 -3.261 699 HG3 GLN 89 HG1 GLN 89 2.551 11.017 -3.355 700 HE21 GLN 89 HE21 GLN 89 1.191 12.086 -1.049 701 HE22 GLN 89 HE22 GLN 89 2.154 13.400 -0.478 702 H GLN 90 H GLN 90 0.697 13.745 -6.912 703 HA GLN 90 HA GLN 90 1.417 13.562 -9.597 704 HB2 GLN 90 HB2 GLN 90 1.120 16.049 -7.900 705 HB3 GLN 90 HB1 GLN 90 1.131 16.017 -9.657 706 HG2 GLN 90 HG2 GLN 90 -0.895 14.638 -9.634 707 HG3 GLN 90 HG1 GLN 90 -0.912 14.715 -7.873 708 HE21 GLN 90 HE21 GLN 90 -1.485 16.649 -6.858 709 HE22 GLN 90 HE22 GLN 90 -2.278 17.926 -7.709 710 H TYR 91 H TYR 91 3.179 14.835 -6.832 711 HA TYR 91 HA TYR 91 5.355 15.858 -8.398 712 HB2 TYR 91 HB2 TYR 91 5.036 15.469 -5.418 713 HB3 TYR 91 HB1 TYR 91 6.408 16.271 -6.175 714 HD1 TYR 91 HD1 TYR 91 2.786 16.510 -5.507 715 HD2 TYR 91 HD2 TYR 91 6.243 18.514 -6.970 716 HE1 TYR 91 HE1 TYR 91 1.561 18.640 -5.466 717 HE2 TYR 91 HE2 TYR 91 5.027 20.650 -6.931 718 HH TYR 91 HH TYR 91 1.877 20.947 -5.464 719 H GLY 92 H GLY 92 4.547 12.788 -7.947 720 HA2 GLY 92 HA2 GLY 92 5.780 10.884 -8.388 721 HA3 GLY 92 HA1 GLY 92 7.232 11.873 -8.412 722 H HIS 93 H HIS 93 5.575 12.517 -5.609 723 HA HIS 93 HA HIS 93 7.484 11.194 -3.968 724 HB2 HIS 93 HB2 HIS 93 4.866 12.545 -3.258 725 HB3 HIS 93 HB1 HIS 93 5.997 11.907 -2.075 726 HD1 HIS 93 HD1 HIS 93 5.173 14.911 -2.253 727 HD2 HIS 93 HD2 HIS 93 8.636 13.261 -3.856 728 HE1 HIS 93 HE1 HIS 93 6.812 16.809 -2.424 729 HE2 HIS 93 HE2 HIS 93 8.963 15.729 -3.161 730 H GLN 94 H GLN 94 7.354 9.292 -2.888 731 HA GLN 94 HA GLN 94 4.986 7.650 -3.470 732 HB2 GLN 94 HB2 GLN 94 7.768 6.794 -2.654 733 HB3 GLN 94 HB1 GLN 94 6.428 5.710 -2.994 734 HG2 GLN 94 HG2 GLN 94 6.373 6.568 -5.309 735 HG3 GLN 94 HG1 GLN 94 7.789 7.554 -4.943 736 HE21 GLN 94 HE21 GLN 94 7.443 5.391 -6.886 737 HE22 GLN 94 HE22 GLN 94 8.654 4.218 -6.505 738 H GLU 95 H GLU 95 3.610 7.436 -1.877 739 HA GLU 95 HA GLU 95 4.570 7.596 0.895 740 HB2 GLU 95 HB2 GLU 95 1.741 7.671 -0.177 741 HB3 GLU 95 HB1 GLU 95 2.218 7.930 1.489 742 HG2 GLU 95 HG2 GLU 95 2.965 9.689 -0.836 743 HG3 GLU 95 HG1 GLU 95 1.695 10.022 0.338 744 H VAL 96 H VAL 96 4.977 5.680 1.835 745 HA VAL 96 HA VAL 96 3.564 3.326 0.765 746 HB VAL 96 HB VAL 96 6.375 3.381 1.864 747 HG11 VAL 96 HG11 VAL 96 6.517 1.113 0.933 748 HG12 VAL 96 HG12 VAL 96 4.817 1.207 0.471 749 HG13 VAL 96 HG13 VAL 96 5.272 1.242 2.176 750 HG21 VAL 96 HG21 VAL 96 5.428 3.263 -0.998 751 HG22 VAL 96 HG22 VAL 96 7.094 3.031 -0.468 752 HG23 VAL 96 HG23 VAL 96 6.303 4.590 -0.234 753 H THR 97 H THR 97 2.144 2.641 2.200 754 HA THR 97 HA THR 97 2.913 2.542 5.037 755 HB THR 97 HB THR 97 0.167 2.161 3.817 756 HG1 THR 97 HG1 THR 97 -0.162 4.284 4.845 757 HG21 THR 97 HG21 THR 97 1.054 2.497 6.685 758 HG22 THR 97 HG22 THR 97 0.434 1.015 5.955 759 HG23 THR 97 HG23 THR 97 -0.619 2.419 6.134 760 H ARG 98 H ARG 98 3.714 0.651 5.688 761 HA ARG 98 HA ARG 98 3.265 -1.742 4.106 762 HB2 ARG 98 HB2 ARG 98 4.910 -1.411 6.620 763 HB3 ARG 98 HB1 ARG 98 4.955 -2.772 5.511 764 HG2 ARG 98 HG2 ARG 98 5.830 -1.292 3.754 765 HG3 ARG 98 HG1 ARG 98 5.826 0.046 4.904 766 HD2 ARG 98 HD2 ARG 98 7.425 -2.502 5.082 767 HD3 ARG 98 HD1 ARG 98 8.045 -0.880 4.776 768 HE ARG 98 HE ARG 98 7.090 -0.389 7.099 769 HH11 ARG 98 HH11 ARG 98 8.472 -3.451 6.119 770 HH12 ARG 98 HH12 ARG 98 8.913 -3.917 7.727 771 HH21 ARG 98 HH21 ARG 98 7.671 -0.991 9.224 772 HH22 ARG 98 HH22 ARG 98 8.458 -2.513 9.498 773 H PHE 99 H PHE 99 2.412 -3.682 4.931 774 HA PHE 99 HA PHE 99 1.285 -3.799 7.572 775 HB2 PHE 99 HB2 PHE 99 -1.044 -4.031 6.912 776 HB3 PHE 99 HB1 PHE 99 -0.436 -2.472 6.377 777 HD1 PHE 99 HD1 PHE 99 -2.160 -5.406 5.435 778 HD2 PHE 99 HD2 PHE 99 0.367 -2.341 3.907 779 HE1 PHE 99 HE1 PHE 99 -2.950 -5.893 3.159 780 HE2 PHE 99 HE2 PHE 99 -0.420 -2.825 1.628 781 HZ PHE 99 HZ PHE 99 -2.080 -4.603 1.252 782 H ASP 100 H ASP 100 -0.180 -5.894 7.643 783 HA ASP 100 HA ASP 100 0.882 -7.936 5.830 784 HB2 ASP 100 HB2 ASP 100 1.355 -9.477 7.623 785 HB3 ASP 100 HB1 ASP 100 2.217 -7.981 7.953 786 H PHE 101 H PHE 101 -0.438 -9.882 5.788 787 HA PHE 101 HA PHE 101 -3.002 -9.826 7.079 788 HB2 PHE 101 HB2 PHE 101 -4.320 -9.845 4.970 789 HB3 PHE 101 HB1 PHE 101 -3.522 -8.309 5.273 790 HD1 PHE 101 HD1 PHE 101 -3.819 -11.147 3.047 791 HD2 PHE 101 HD2 PHE 101 -1.541 -7.665 3.942 792 HE1 PHE 101 HE1 PHE 101 -2.827 -11.216 0.796 793 HE2 PHE 101 HE2 PHE 101 -0.546 -7.732 1.694 794 HZ PHE 101 HZ PHE 101 -1.191 -9.507 0.116 795 H THR 102 H THR 102 -4.187 -11.772 6.801 796 HA THR 102 HA THR 102 -2.662 -13.951 5.541 797 HB THR 102 HB THR 102 -4.223 -14.195 8.119 798 HG1 THR 102 HG1 THR 102 -2.123 -12.919 8.069 799 HG21 THR 102 HG21 THR 102 -2.303 -16.084 6.746 800 HG22 THR 102 HG22 THR 102 -4.055 -16.269 6.823 801 HG23 THR 102 HG23 THR 102 -3.094 -16.364 8.298 802 H THR 103 H THR 103 -3.827 -14.804 3.942 803 HA THR 103 HA THR 103 -6.735 -14.651 4.051 804 HB THR 103 HB THR 103 -5.661 -14.004 1.942 805 HG1 THR 103 HG1 THR 103 -6.921 -16.460 1.354 806 HG21 THR 103 HG21 THR 103 -4.617 -16.830 1.942 807 HG22 THR 103 HG22 THR 103 -3.680 -15.335 1.926 808 HG23 THR 103 HG23 THR 103 -4.640 -15.792 0.520 809 H THR 104 H THR 104 -7.928 -16.315 4.735 810 HA THR 104 HA THR 104 -7.383 -19.024 4.301 811 HB THR 104 HB THR 104 -5.495 -18.683 5.837 812 HG1 THR 104 HG1 THR 104 -5.910 -20.482 7.009 813 HG21 THR 104 HG21 THR 104 -5.867 -18.138 8.195 814 HG22 THR 104 HG22 THR 104 -7.584 -17.900 7.876 815 HG23 THR 104 HG23 THR 104 -6.395 -16.819 7.151 816 H SER 105 H SER 105 -9.056 -20.312 4.968 817 HA SER 105 HA SER 105 -11.133 -19.057 6.634 818 HB2 SER 105 HB2 SER 105 -11.806 -19.311 4.233 819 HB3 SER 105 HB1 SER 105 -11.583 -21.053 4.396 820 HG SER 105 HG SER 105 -13.416 -21.195 5.431 821 H THR 106 H THR 106 -8.962 -21.611 6.160 822 HA THR 106 HA THR 106 -10.348 -23.586 7.710 823 HB THR 106 HB THR 106 -8.676 -24.169 5.941 824 HG1 THR 106 HG1 THR 106 -9.225 -25.618 7.708 825 HG21 THR 106 HG21 THR 106 -6.664 -23.201 7.974 826 HG22 THR 106 HG22 THR 106 -7.010 -22.442 6.420 827 HG23 THR 106 HG23 THR 106 -6.291 -24.051 6.474 828 H SER 107 H SER 107 -8.530 -20.816 8.407 829 HA SER 107 HA SER 107 -8.171 -21.694 11.191 830 HB2 SER 107 HB2 SER 107 -6.094 -20.925 10.062 831 HB3 SER 107 HB1 SER 107 -6.854 -19.363 9.765 832 HG SER 107 HG SER 107 -6.326 -20.525 12.307 833 H THR 108 H THR 108 -9.532 -20.886 12.636 834 HA THR 108 HA THR 108 -10.912 -18.357 12.041 835 HB THR 108 HB THR 108 -12.173 -20.793 13.324 836 HG1 THR 108 HG1 THR 108 -12.416 -19.670 10.712 837 HG21 THR 108 HG21 THR 108 -13.379 -18.155 12.478 838 HG22 THR 108 HG22 THR 108 -13.097 -18.672 14.141 839 HG23 THR 108 HG23 THR 108 -14.265 -19.531 13.135 840 HA PRO 109 HA PRO 109 -9.141 -17.643 16.098 841 HB2 PRO 109 HB2 PRO 109 -9.314 -14.974 16.083 842 HB3 PRO 109 HB1 PRO 109 -8.151 -15.827 15.061 843 HG2 PRO 109 HG2 PRO 109 -10.784 -14.618 14.333 844 HG3 PRO 109 HG1 PRO 109 -9.260 -14.615 13.429 845 HD2 PRO 109 HD2 PRO 109 -11.379 -16.337 12.959 846 HD3 PRO 109 HD1 PRO 109 -9.700 -16.635 12.471 847 H GLY 110 H GLY 110 -11.666 -18.656 16.274 848 HA2 GLY 110 HA2 GLY 110 -13.363 -16.701 17.615 849 HA3 GLY 110 HA1 GLY 110 -13.774 -18.375 17.267 850 H SER 111 H SER 111 -12.246 -16.197 19.500 851 HA SER 111 HA SER 111 -11.249 -18.248 21.238 852 HB2 SER 111 HB2 SER 111 -10.226 -15.979 21.097 853 HB3 SER 111 HB1 SER 111 -11.685 -15.306 21.818 854 HG SER 111 HG SER 111 -10.363 -17.398 23.141 855 H ARG 112 H ARG 112 -12.734 -19.560 22.098 856 HA ARG 112 HA ARG 112 -14.711 -18.392 23.881 857 HB2 ARG 112 HB2 ARG 112 -16.530 -19.808 22.982 858 HB3 ARG 112 HB1 ARG 112 -15.977 -18.606 21.826 859 HG2 ARG 112 HG2 ARG 112 -14.714 -20.293 20.630 860 HG3 ARG 112 HG1 ARG 112 -15.173 -21.508 21.825 861 HD2 ARG 112 HD2 ARG 112 -17.538 -21.152 21.234 862 HD3 ARG 112 HD1 ARG 112 -17.036 -20.004 19.996 863 HE ARG 112 HE ARG 112 -15.702 -22.423 19.548 864 HH11 ARG 112 HH11 ARG 112 -18.948 -21.130 19.470 865 HH12 ARG 112 HH12 ARG 112 -19.488 -22.204 18.223 866 HH21 ARG 112 HH21 ARG 112 -16.408 -23.859 17.924 867 HH22 ARG 112 HH22 ARG 112 -18.043 -23.769 17.349 868 H SER 113 H SER 113 -12.390 -19.641 24.583 869 HA SER 113 HA SER 113 -12.519 -22.412 24.925 870 HB2 SER 113 HB2 SER 113 -10.881 -21.937 26.843 871 HB3 SER 113 HB1 SER 113 -10.410 -21.402 25.231 872 HG SER 113 HG SER 113 -10.092 -19.605 26.331 873 H HIS 114 H HIS 114 -13.814 -19.784 26.878 874 HA HIS 114 HA HIS 114 -15.291 -21.810 28.417 875 HB2 HIS 114 HB2 HIS 114 -13.995 -19.301 29.487 876 HB3 HIS 114 HB1 HIS 114 -15.214 -20.210 30.373 877 HD1 HIS 114 HD1 HIS 114 -14.476 -22.340 31.540 878 HD2 HIS 114 HD2 HIS 114 -11.502 -20.634 29.195 879 HE1 HIS 114 HE1 HIS 114 -12.365 -23.576 32.124 880 HE2 HIS 114 HE2 HIS 114 -10.631 -22.659 30.540 881 H HIS 115 H HIS 115 -15.202 -18.334 27.619 882 HA HIS 115 HA HIS 115 -18.086 -18.439 27.110 883 HB2 HIS 115 HB2 HIS 115 -16.712 -16.514 28.991 884 HB3 HIS 115 HB1 HIS 115 -18.301 -16.202 28.305 885 HD1 HIS 115 HD1 HIS 115 -20.275 -17.295 29.419 886 HD2 HIS 115 HD2 HIS 115 -16.637 -18.725 30.830 887 HE1 HIS 115 HE1 HIS 115 -20.833 -18.717 31.414 888 HE2 HIS 115 HE2 HIS 115 -18.612 -19.492 32.309 889 H HIS 116 H HIS 116 -18.812 -16.942 25.592 890 HA HIS 116 HA HIS 116 -17.104 -14.825 24.659 891 HB2 HIS 116 HB2 HIS 116 -16.187 -16.770 23.424 892 HB3 HIS 116 HB1 HIS 116 -17.785 -17.077 22.752 893 HD1 HIS 116 HD1 HIS 116 -18.328 -15.917 20.609 894 HD2 HIS 116 HD2 HIS 116 -15.090 -14.189 22.565 895 HE1 HIS 116 HE1 HIS 116 -17.440 -14.170 19.036 896 HE2 HIS 116 HE2 HIS 116 -15.537 -13.080 20.273 897 H HIS 117 H HIS 117 -18.470 -13.196 24.449 898 HA HIS 117 HA HIS 117 -20.799 -13.461 22.773 899 HB2 HIS 117 HB2 HIS 117 -22.339 -12.479 24.515 900 HB3 HIS 117 HB1 HIS 117 -21.866 -14.149 24.787 901 HD1 HIS 117 HD1 HIS 117 -21.443 -14.581 27.170 902 HD2 HIS 117 HD2 HIS 117 -20.393 -10.697 26.116 903 HE1 HIS 117 HE1 HIS 117 -20.603 -13.506 29.284 904 HE2 HIS 117 HE2 HIS 117 -19.803 -11.226 28.578 905 H HIS 118 H HIS 118 -22.052 -11.224 22.906 906 HA HIS 118 HA HIS 118 -22.055 -9.002 22.478 907 HB2 HIS 118 HB2 HIS 118 -21.069 -8.858 24.783 908 HB3 HIS 118 HB1 HIS 118 -19.472 -8.866 24.049 909 HD1 HIS 118 HD1 HIS 118 -18.566 -6.569 24.172 910 HD2 HIS 118 HD2 HIS 118 -22.621 -6.582 23.253 911 HE1 HIS 118 HE1 HIS 118 -19.191 -4.157 23.833 912 HE2 HIS 118 HE2 HIS 118 -21.665 -4.182 23.366 913 H HIS 119 H HIS 119 -21.023 -10.752 20.599 914 HA HIS 119 HA HIS 119 -18.669 -9.570 19.413 915 HB2 HIS 119 HB2 HIS 119 -19.044 -11.974 19.194 916 HB3 HIS 119 HB1 HIS 119 -20.585 -11.684 18.400 917 HD1 HIS 119 HD1 HIS 119 -20.540 -11.591 15.925 918 HD2 HIS 119 HD2 HIS 119 -16.770 -11.019 17.575 919 HE1 HIS 119 HE1 HIS 119 -18.949 -11.549 13.981 920 HE2 HIS 119 HE2 HIS 119 -16.703 -11.022 14.987 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 12.806 9.312 9.438 2 H2 GLY 1 HT2 GLY 1 14.054 8.573 10.307 3 H3 GLY 1 HT3 GLY 1 13.930 10.257 10.272 4 HA2 GLY 1 HA1 GLY 1 13.152 9.355 12.380 5 HA3 GLY 1 HA2 GLY 1 11.888 10.203 11.502 6 H SER 2 H SER 2 11.492 8.237 13.526 7 HA SER 2 HA SER 2 10.534 5.887 12.092 8 HB2 SER 2 HB2 SER 2 11.676 5.622 14.277 9 HB3 SER 2 HB1 SER 2 10.408 6.574 15.042 10 HG SER 2 HG SER 2 10.016 4.121 13.660 11 H GLN 3 H GLN 3 9.312 8.622 13.954 12 HA GLN 3 HA GLN 3 6.579 7.913 13.144 13 HB2 GLN 3 HB2 GLN 3 7.007 8.125 15.583 14 HB3 GLN 3 HB1 GLN 3 7.473 9.800 15.332 15 HG2 GLN 3 HG2 GLN 3 5.209 9.649 16.166 16 HG3 GLN 3 HG1 GLN 3 5.229 10.312 14.533 17 HE21 GLN 3 HE21 GLN 3 5.671 6.909 15.202 18 HE22 GLN 3 HE22 GLN 3 4.158 6.394 14.546 19 H THR 4 H THR 4 5.814 8.985 11.485 20 HA THR 4 HA THR 4 6.995 11.505 10.653 21 HB THR 4 HB THR 4 4.709 10.018 9.349 22 HG1 THR 4 HG1 THR 4 7.468 9.484 9.409 23 HG21 THR 4 HG21 THR 4 5.101 12.301 8.548 24 HG22 THR 4 HG22 THR 4 5.523 11.116 7.313 25 HG23 THR 4 HG23 THR 4 6.793 11.908 8.245 26 H THR 5 H THR 5 6.143 13.437 11.146 27 HA THR 5 HA THR 5 3.857 13.606 12.851 28 HB THR 5 HB THR 5 5.234 15.921 11.485 29 HG1 THR 5 HG1 THR 5 5.981 14.860 14.014 30 HG21 THR 5 HG21 THR 5 3.813 15.671 14.140 31 HG22 THR 5 HG22 THR 5 3.179 16.458 12.696 32 HG23 THR 5 HG23 THR 5 4.586 17.130 13.519 33 H ALA 6 H ALA 6 4.488 14.210 9.458 34 HA ALA 6 HA ALA 6 1.918 15.447 9.002 35 HB1 ALA 6 HB1 ALA 6 4.022 14.548 7.034 36 HB2 ALA 6 HB2 ALA 6 3.883 16.162 7.728 37 HB3 ALA 6 HB3 ALA 6 2.618 15.549 6.667 38 HA PRO 7 HA PRO 7 -0.001 11.463 8.146 39 HB2 PRO 7 HB2 PRO 7 -2.510 12.382 7.826 40 HB3 PRO 7 HB1 PRO 7 -1.764 12.251 9.423 41 HG2 PRO 7 HG2 PRO 7 -2.130 14.660 7.694 42 HG3 PRO 7 HG1 PRO 7 -2.325 14.501 9.447 43 HD2 PRO 7 HD2 PRO 7 -0.095 15.549 8.228 44 HD3 PRO 7 HD1 PRO 7 -0.093 14.809 9.839 45 H ASP 8 H ASP 8 1.497 12.540 6.109 46 HA ASP 8 HA ASP 8 -0.099 13.265 3.839 47 HB2 ASP 8 HB2 ASP 8 2.281 14.027 4.324 48 HB3 ASP 8 HB1 ASP 8 2.800 12.419 3.836 49 H ALA 9 H ALA 9 1.321 10.376 5.126 50 HA ALA 9 HA ALA 9 0.649 8.775 2.797 51 HB1 ALA 9 HB1 ALA 9 2.715 8.329 4.045 52 HB2 ALA 9 HB2 ALA 9 1.639 6.933 4.033 53 HB3 ALA 9 HB3 ALA 9 1.758 7.942 5.475 54 HA PRO 10 HA PRO 10 -3.416 7.531 4.201 55 HB2 PRO 10 HB2 PRO 10 -2.686 4.893 3.049 56 HB3 PRO 10 HB1 PRO 10 -4.071 5.928 2.688 57 HG2 PRO 10 HG2 PRO 10 -2.043 5.697 0.970 58 HG3 PRO 10 HG1 PRO 10 -2.864 7.250 1.214 59 HD2 PRO 10 HD2 PRO 10 -0.223 6.326 2.248 60 HD3 PRO 10 HD1 PRO 10 -0.696 7.911 1.666 61 HA PRO 11 HA PRO 11 -2.607 5.854 8.171 62 HB2 PRO 11 HB2 PRO 11 -4.978 4.378 8.469 63 HB3 PRO 11 HB1 PRO 11 -4.729 6.063 8.931 64 HG2 PRO 11 HG2 PRO 11 -5.973 4.936 6.468 65 HG3 PRO 11 HG1 PRO 11 -6.397 6.399 7.374 66 HD2 PRO 11 HD2 PRO 11 -5.078 6.547 5.056 67 HD3 PRO 11 HD1 PRO 11 -4.689 7.644 6.399 68 H ASP 12 H ASP 12 -4.563 3.317 6.655 69 HA ASP 12 HA ASP 12 -2.387 1.615 6.050 70 HB2 ASP 12 HB2 ASP 12 -2.705 -0.137 7.678 71 HB3 ASP 12 HB1 ASP 12 -2.405 1.365 8.542 72 HA PRO 13 HA PRO 13 -5.831 -0.124 3.751 73 HB2 PRO 13 HB2 PRO 13 -3.970 -2.246 2.985 74 HB3 PRO 13 HB1 PRO 13 -4.759 -1.038 1.968 75 HG2 PRO 13 HG2 PRO 13 -2.107 -0.991 2.470 76 HG3 PRO 13 HG1 PRO 13 -3.056 0.489 2.232 77 HD2 PRO 13 HD2 PRO 13 -2.121 -0.776 4.787 78 HD3 PRO 13 HD1 PRO 13 -2.125 0.938 4.311 79 H THR 14 H THR 14 -7.288 -1.145 4.952 80 HA THR 14 HA THR 14 -6.474 -3.416 6.626 81 HB THR 14 HB THR 14 -9.213 -2.180 6.607 82 HG1 THR 14 HG1 THR 14 -6.823 -1.144 7.746 83 HG21 THR 14 HG21 THR 14 -8.889 -4.249 7.872 84 HG22 THR 14 HG22 THR 14 -9.207 -2.895 8.956 85 HG23 THR 14 HG23 THR 14 -7.564 -3.506 8.764 86 H VAL 15 H VAL 15 -6.758 -5.387 5.753 87 HA VAL 15 HA VAL 15 -8.567 -5.619 3.498 88 HB VAL 15 HB VAL 15 -7.305 -7.284 2.668 89 HG11 VAL 15 HG11 VAL 15 -5.284 -6.060 4.525 90 HG12 VAL 15 HG12 VAL 15 -5.804 -5.386 2.982 91 HG13 VAL 15 HG13 VAL 15 -4.943 -6.924 3.025 92 HG21 VAL 15 HG21 VAL 15 -6.394 -8.114 5.404 93 HG22 VAL 15 HG22 VAL 15 -6.140 -8.982 3.886 94 HG23 VAL 15 HG23 VAL 15 -7.767 -8.802 4.542 95 H ASP 16 H ASP 16 -10.253 -6.974 3.392 96 HA ASP 16 HA ASP 16 -11.076 -8.239 5.908 97 HB2 ASP 16 HB2 ASP 16 -12.661 -7.551 3.423 98 HB3 ASP 16 HB1 ASP 16 -13.316 -8.392 4.821 99 H GLN 17 H GLN 17 -11.364 -10.391 6.067 100 HA GLN 17 HA GLN 17 -10.326 -12.054 3.933 101 HB2 GLN 17 HB2 GLN 17 -11.441 -12.879 6.618 102 HB3 GLN 17 HB1 GLN 17 -10.476 -13.861 5.551 103 HG2 GLN 17 HG2 GLN 17 -9.518 -11.344 6.881 104 HG3 GLN 17 HG1 GLN 17 -9.222 -12.975 7.479 105 HE21 GLN 17 HE21 GLN 17 -8.517 -10.671 4.968 106 HE22 GLN 17 HE22 GLN 17 -7.108 -11.475 4.359 107 H VAL 18 H VAL 18 -12.099 -11.451 2.473 108 HA VAL 18 HA VAL 18 -14.791 -12.120 3.106 109 HB VAL 18 HB VAL 18 -13.532 -11.542 0.421 110 HG11 VAL 18 HG11 VAL 18 -16.436 -11.585 1.236 111 HG12 VAL 18 HG12 VAL 18 -15.638 -12.746 0.175 112 HG13 VAL 18 HG13 VAL 18 -15.813 -11.066 -0.330 113 HG21 VAL 18 HG21 VAL 18 -15.028 -9.763 2.340 114 HG22 VAL 18 HG22 VAL 18 -14.478 -9.300 0.731 115 HG23 VAL 18 HG23 VAL 18 -13.302 -9.694 1.985 116 H ASP 19 H ASP 19 -12.490 -13.577 0.781 117 HA ASP 19 HA ASP 19 -13.989 -16.089 1.119 118 HB2 ASP 19 HB2 ASP 19 -12.722 -14.927 -1.349 119 HB3 ASP 19 HB1 ASP 19 -13.028 -16.655 -1.205 120 H ASP 20 H ASP 20 -12.392 -17.947 0.130 121 HA ASP 20 HA ASP 20 -10.375 -18.090 2.147 122 HB2 ASP 20 HB2 ASP 20 -11.026 -19.962 -0.135 123 HB3 ASP 20 HB1 ASP 20 -9.846 -20.304 1.122 124 H THR 21 H THR 21 -10.286 -17.909 -1.409 125 HA THR 21 HA THR 21 -7.388 -17.499 -1.209 126 HB THR 21 HB THR 21 -7.551 -17.946 -3.774 127 HG1 THR 21 HG1 THR 21 -9.602 -19.685 -3.340 128 HG21 THR 21 HG21 THR 21 -7.342 -20.364 -3.362 129 HG22 THR 21 HG22 THR 21 -7.956 -20.128 -1.726 130 HG23 THR 21 HG23 THR 21 -6.415 -19.415 -2.201 131 H SER 22 H SER 22 -9.669 -15.439 -0.995 132 HA SER 22 HA SER 22 -8.249 -13.464 -2.560 133 HB2 SER 22 HB2 SER 22 -10.388 -12.536 -3.504 134 HB3 SER 22 HB1 SER 22 -9.907 -14.093 -4.175 135 HG SER 22 HG SER 22 -11.532 -15.068 -3.151 136 H ILE 23 H ILE 23 -8.104 -11.568 -1.555 137 HA ILE 23 HA ILE 23 -9.848 -11.109 0.783 138 HB ILE 23 HB ILE 23 -8.089 -9.901 1.867 139 HG12 ILE 23 HG12 ILE 23 -6.279 -10.399 -0.492 140 HG13 ILE 23 HG11 ILE 23 -7.238 -8.932 -0.347 141 HG21 ILE 23 HG21 ILE 23 -7.960 -12.313 2.125 142 HG22 ILE 23 HG22 ILE 23 -6.343 -11.609 2.117 143 HG23 ILE 23 HG23 ILE 23 -6.954 -12.430 0.681 144 HD11 ILE 23 HD11 ILE 23 -4.918 -9.843 1.292 145 HD12 ILE 23 HD12 ILE 23 -6.083 -8.697 1.952 146 HD13 ILE 23 HD13 ILE 23 -5.187 -8.295 0.485 147 H VAL 24 H VAL 24 -10.408 -8.880 1.191 148 HA VAL 24 HA VAL 24 -10.145 -7.168 -1.189 149 HB VAL 24 HB VAL 24 -12.259 -7.036 0.974 150 HG11 VAL 24 HG11 VAL 24 -13.329 -5.370 -0.473 151 HG12 VAL 24 HG12 VAL 24 -11.955 -5.450 -1.576 152 HG13 VAL 24 HG13 VAL 24 -11.737 -4.837 0.064 153 HG21 VAL 24 HG21 VAL 24 -13.799 -7.763 -0.794 154 HG22 VAL 24 HG22 VAL 24 -12.557 -8.971 -0.470 155 HG23 VAL 24 HG23 VAL 24 -12.438 -7.944 -1.899 156 H VAL 25 H VAL 25 -8.496 -5.855 -0.898 157 HA VAL 25 HA VAL 25 -7.890 -4.876 1.793 158 HB VAL 25 HB VAL 25 -5.970 -5.877 0.902 159 HG11 VAL 25 HG11 VAL 25 -6.605 -6.187 -1.367 160 HG12 VAL 25 HG12 VAL 25 -5.058 -5.339 -1.342 161 HG13 VAL 25 HG13 VAL 25 -6.545 -4.452 -1.682 162 HG21 VAL 25 HG21 VAL 25 -5.697 -2.937 0.308 163 HG22 VAL 25 HG22 VAL 25 -4.364 -4.075 0.522 164 HG23 VAL 25 HG23 VAL 25 -5.448 -3.717 1.871 165 H ARG 26 H ARG 26 -8.586 -2.953 2.330 166 HA ARG 26 HA ARG 26 -9.032 -0.953 0.213 167 HB2 ARG 26 HB2 ARG 26 -10.721 -1.358 2.688 168 HB3 ARG 26 HB1 ARG 26 -11.019 -0.207 1.393 169 HG2 ARG 26 HG2 ARG 26 -11.419 -2.014 -0.164 170 HG3 ARG 26 HG1 ARG 26 -11.034 -3.200 1.083 171 HD2 ARG 26 HD2 ARG 26 -13.420 -3.030 0.863 172 HD3 ARG 26 HD1 ARG 26 -12.934 -2.358 2.416 173 HE ARG 26 HE ARG 26 -13.051 -0.253 0.602 174 HH11 ARG 26 HH11 ARG 26 -15.200 -2.565 2.080 175 HH12 ARG 26 HH12 ARG 26 -16.589 -1.535 1.996 176 HH21 ARG 26 HH21 ARG 26 -14.875 1.122 0.462 177 HH22 ARG 26 HH22 ARG 26 -16.403 0.576 1.075 178 H TRP 27 H TRP 27 -8.509 1.149 0.678 179 HA TRP 27 HA TRP 27 -7.258 1.658 3.286 180 HB2 TRP 27 HB2 TRP 27 -5.487 2.974 2.044 181 HB3 TRP 27 HB1 TRP 27 -5.398 1.227 1.856 182 HD1 TRP 27 HD1 TRP 27 -6.196 4.414 -0.112 183 HE1 TRP 27 HE1 TRP 27 -6.175 3.856 -2.626 184 HE3 TRP 27 HE3 TRP 27 -5.737 -0.668 0.182 185 HZ2 TRP 27 HZ2 TRP 27 -5.975 1.570 -4.263 186 HZ3 TRP 27 HZ3 TRP 27 -5.637 -1.967 -1.903 187 HH2 TRP 27 HH2 TRP 27 -5.754 -0.870 -4.080 188 H SER 28 H SER 28 -7.498 3.700 4.093 189 HA SER 28 HA SER 28 -9.456 5.391 2.795 190 HB2 SER 28 HB2 SER 28 -7.992 5.795 5.417 191 HB3 SER 28 HB1 SER 28 -9.413 6.681 4.864 192 HG SER 28 HG SER 28 -9.255 3.905 5.457 193 H ARG 29 H ARG 29 -8.876 6.873 1.364 194 HA ARG 29 HA ARG 29 -6.105 7.669 1.173 195 HB2 ARG 29 HB2 ARG 29 -6.691 8.644 -0.958 196 HB3 ARG 29 HB1 ARG 29 -7.342 7.020 -0.851 197 HG2 ARG 29 HG2 ARG 29 -9.068 8.202 -1.818 198 HG3 ARG 29 HG1 ARG 29 -9.524 8.199 -0.114 199 HD2 ARG 29 HD2 ARG 29 -8.516 10.417 0.140 200 HD3 ARG 29 HD1 ARG 29 -8.115 10.425 -1.575 201 HE ARG 29 HE ARG 29 -10.874 9.964 -1.287 202 HH11 ARG 29 HH11 ARG 29 -8.556 12.545 -0.768 203 HH12 ARG 29 HH12 ARG 29 -9.696 13.803 -1.138 204 HH21 ARG 29 HH21 ARG 29 -12.376 11.620 -1.740 205 HH22 ARG 29 HH22 ARG 29 -11.864 13.277 -1.692 206 HA PRO 30 HA PRO 30 -6.353 11.626 3.155 207 HB2 PRO 30 HB2 PRO 30 -4.825 12.659 0.827 208 HB3 PRO 30 HB1 PRO 30 -4.441 12.740 2.549 209 HG2 PRO 30 HG2 PRO 30 -3.129 11.071 0.944 210 HG3 PRO 30 HG1 PRO 30 -3.573 10.590 2.593 211 HD2 PRO 30 HD2 PRO 30 -4.851 9.844 -0.005 212 HD3 PRO 30 HD1 PRO 30 -4.553 8.849 1.426 213 H1 MET 31 HT1 MET 31 3.730 37.164 -8.755 214 H2 MET 31 HT2 MET 31 2.806 35.767 -8.501 215 H3 MET 31 HT3 MET 31 2.381 36.850 -9.728 216 HA MET 31 HA MET 31 3.433 34.905 -10.641 217 HB2 MET 31 HB2 MET 31 5.041 37.456 -10.801 218 HB3 MET 31 HB1 MET 31 5.320 36.070 -11.846 219 HG2 MET 31 HG2 MET 31 3.072 36.258 -12.734 220 HG3 MET 31 HG1 MET 31 2.739 37.604 -11.648 221 HE1 MET 31 HE1 MET 31 4.909 40.472 -13.043 222 HE2 MET 31 HE2 MET 31 5.351 39.373 -11.738 223 HE3 MET 31 HE3 MET 31 3.697 39.970 -11.863 224 H ARG 32 H ARG 32 5.312 36.473 -8.114 225 HA ARG 32 HA ARG 32 7.423 34.482 -8.331 226 HB2 ARG 32 HB2 ARG 32 7.789 36.960 -7.775 227 HB3 ARG 32 HB1 ARG 32 7.139 36.583 -6.186 228 HG2 ARG 32 HG2 ARG 32 9.513 36.529 -6.035 229 HG3 ARG 32 HG1 ARG 32 8.934 34.864 -5.943 230 HD2 ARG 32 HD2 ARG 32 10.875 35.012 -7.399 231 HD3 ARG 32 HD1 ARG 32 9.443 34.567 -8.325 232 HE ARG 32 HE ARG 32 10.473 37.333 -8.235 233 HH11 ARG 32 HH11 ARG 32 9.317 34.558 -10.040 234 HH12 ARG 32 HH12 ARG 32 9.331 35.390 -11.561 235 HH21 ARG 32 HH21 ARG 32 10.498 38.417 -10.240 236 HH22 ARG 32 HH22 ARG 32 9.997 37.578 -11.675 237 H GLY 33 H GLY 33 6.060 32.649 -7.869 238 HA2 GLY 33 HA2 GLY 33 5.424 30.983 -6.394 239 HA3 GLY 33 HA1 GLY 33 5.938 32.015 -5.067 240 H SER 34 H SER 34 3.353 31.606 -7.457 241 HA SER 34 HA SER 34 1.352 32.180 -5.463 242 HB2 SER 34 HB2 SER 34 0.365 34.026 -6.964 243 HB3 SER 34 HB1 SER 34 1.778 34.445 -5.994 244 HG SER 34 HG SER 34 2.262 33.417 -8.534 245 H ASN 35 H ASN 35 1.128 29.888 -6.243 246 HA ASN 35 HA ASN 35 -0.686 29.823 -8.566 247 HB2 ASN 35 HB2 ASN 35 1.453 27.838 -7.798 248 HB3 ASN 35 HB1 ASN 35 0.120 27.411 -8.861 249 HD21 ASN 35 HD21 ASN 35 0.039 30.045 -10.128 250 HD22 ASN 35 HD22 ASN 35 1.413 30.107 -11.173 251 H ALA 36 H ALA 36 -2.185 27.938 -8.508 252 HA ALA 36 HA ALA 36 -3.265 27.620 -5.831 253 HB1 ALA 36 HB1 ALA 36 -4.788 28.167 -7.650 254 HB2 ALA 36 HB2 ALA 36 -5.180 26.592 -6.961 255 HB3 ALA 36 HB3 ALA 36 -4.324 26.694 -8.498 256 HA PRO 37 HA PRO 37 -1.093 23.704 -5.681 257 HB2 PRO 37 HB2 PRO 37 -1.188 23.386 -3.026 258 HB3 PRO 37 HB1 PRO 37 -0.126 24.585 -3.773 259 HG2 PRO 37 HG2 PRO 37 -2.762 24.964 -2.423 260 HG3 PRO 37 HG1 PRO 37 -1.309 25.977 -2.353 261 HD2 PRO 37 HD2 PRO 37 -3.516 26.474 -3.951 262 HD3 PRO 37 HD1 PRO 37 -1.891 27.126 -4.233 263 H GLN 38 H GLN 38 -1.678 21.596 -5.481 264 HA GLN 38 HA GLN 38 -4.405 21.007 -4.532 265 HB2 GLN 38 HB2 GLN 38 -2.786 19.637 -6.694 266 HB3 GLN 38 HB1 GLN 38 -4.328 19.054 -6.088 267 HG2 GLN 38 HG2 GLN 38 -3.941 21.742 -7.380 268 HG3 GLN 38 HG1 GLN 38 -4.447 20.292 -8.244 269 HE21 GLN 38 HE21 GLN 38 -6.486 19.445 -7.876 270 HE22 GLN 38 HE22 GLN 38 -7.738 20.350 -7.095 271 HA PRO 39 HA PRO 39 -1.086 19.759 -1.538 272 HB2 PRO 39 HB2 PRO 39 -3.615 19.095 -0.081 273 HB3 PRO 39 HB1 PRO 39 -2.132 19.839 0.524 274 HG2 PRO 39 HG2 PRO 39 -4.256 21.333 -0.038 275 HG3 PRO 39 HG1 PRO 39 -2.620 21.898 -0.421 276 HD2 PRO 39 HD2 PRO 39 -4.753 20.913 -2.232 277 HD3 PRO 39 HD1 PRO 39 -3.444 22.066 -2.549 278 H SER 40 H SER 40 -3.998 17.671 -1.395 279 HA SER 40 HA SER 40 -2.150 15.384 -1.453 280 HB2 SER 40 HB2 SER 40 -4.874 15.613 -0.161 281 HB3 SER 40 HB1 SER 40 -3.861 14.170 -0.157 282 HG SER 40 HG SER 40 -2.537 15.064 1.257 283 H HIS 41 H HIS 41 -2.113 14.869 -3.580 284 HA HIS 41 HA HIS 41 -4.602 13.793 -4.676 285 HB2 HIS 41 HB2 HIS 41 -2.846 15.854 -5.965 286 HB3 HIS 41 HB1 HIS 41 -3.713 14.696 -6.965 287 HD1 HIS 41 HD1 HIS 41 -4.382 17.436 -4.438 288 HD2 HIS 41 HD2 HIS 41 -6.346 15.268 -7.387 289 HE1 HIS 41 HE1 HIS 41 -6.627 18.536 -4.705 290 HE2 HIS 41 HE2 HIS 41 -7.857 17.100 -6.369 291 H ILE 42 H ILE 42 -4.105 11.713 -4.654 292 HA ILE 42 HA ILE 42 -1.463 10.811 -5.472 293 HB ILE 42 HB ILE 42 -3.849 9.294 -4.396 294 HG12 ILE 42 HG12 ILE 42 -2.168 8.781 -2.541 295 HG13 ILE 42 HG11 ILE 42 -1.165 10.049 -3.232 296 HG21 ILE 42 HG21 ILE 42 -1.142 8.217 -5.165 297 HG22 ILE 42 HG22 ILE 42 -2.662 7.907 -6.005 298 HG23 ILE 42 HG23 ILE 42 -2.426 7.311 -4.362 299 HD11 ILE 42 HD11 ILE 42 -3.936 10.381 -2.110 300 HD12 ILE 42 HD12 ILE 42 -2.965 11.663 -2.834 301 HD13 ILE 42 HD13 ILE 42 -2.426 10.879 -1.349 302 H SER 43 H SER 43 -1.007 9.957 -7.393 303 HA SER 43 HA SER 43 -3.019 10.131 -9.463 304 HB2 SER 43 HB2 SER 43 -0.735 11.009 -9.826 305 HB3 SER 43 HB1 SER 43 -0.090 9.379 -9.638 306 HG SER 43 HG SER 43 -2.040 10.037 -11.588 307 H LYS 44 H LYS 44 -1.248 7.658 -7.734 308 HA LYS 44 HA LYS 44 -3.071 5.630 -8.591 309 HB2 LYS 44 HB2 LYS 44 -1.373 4.169 -9.654 310 HB3 LYS 44 HB1 LYS 44 -1.673 5.637 -10.573 311 HG2 LYS 44 HG2 LYS 44 0.365 6.626 -9.584 312 HG3 LYS 44 HG1 LYS 44 0.681 5.088 -8.777 313 HD2 LYS 44 HD2 LYS 44 0.839 3.970 -10.933 314 HD3 LYS 44 HD1 LYS 44 0.461 5.482 -11.761 315 HE2 LYS 44 HE2 LYS 44 2.491 6.487 -10.789 316 HE3 LYS 44 HE1 LYS 44 2.875 4.940 -10.040 317 HZ1 LYS 44 HZ1 LYS 44 3.008 3.961 -12.255 318 HZ2 LYS 44 HZ2 LYS 44 4.109 5.231 -12.072 319 HZ3 LYS 44 HZ3 LYS 44 2.686 5.468 -12.954 320 H TYR 45 H TYR 45 -2.987 3.818 -7.311 321 HA TYR 45 HA TYR 45 -1.075 3.904 -5.069 322 HB2 TYR 45 HB2 TYR 45 -3.673 2.358 -5.190 323 HB3 TYR 45 HB1 TYR 45 -2.677 2.662 -3.776 324 HD1 TYR 45 HD1 TYR 45 -5.231 3.984 -5.993 325 HD2 TYR 45 HD2 TYR 45 -2.691 4.885 -2.702 326 HE1 TYR 45 HE1 TYR 45 -6.616 5.942 -5.467 327 HE2 TYR 45 HE2 TYR 45 -4.073 6.850 -2.167 328 HH TYR 45 HH TYR 45 -5.650 8.391 -3.416 329 H ILE 46 H ILE 46 0.427 2.326 -4.999 330 HA ILE 46 HA ILE 46 0.000 -0.003 -6.739 331 HB ILE 46 HB ILE 46 2.579 1.118 -5.622 332 HG12 ILE 46 HG12 ILE 46 3.110 1.205 -8.140 333 HG13 ILE 46 HG11 ILE 46 1.384 0.988 -8.390 334 HG21 ILE 46 HG21 ILE 46 2.624 -1.327 -5.624 335 HG22 ILE 46 HG22 ILE 46 3.731 -0.657 -6.821 336 HG23 ILE 46 HG23 ILE 46 2.183 -1.334 -7.330 337 HD11 ILE 46 HD11 ILE 46 2.003 3.321 -8.542 338 HD12 ILE 46 HD12 ILE 46 2.688 3.263 -6.917 339 HD13 ILE 46 HD13 ILE 46 0.954 3.049 -7.151 340 H LEU 47 H LEU 47 -0.652 -1.768 -5.789 341 HA LEU 47 HA LEU 47 -0.183 -2.171 -2.923 342 HB2 LEU 47 HB2 LEU 47 -2.468 -2.422 -4.219 343 HB3 LEU 47 HB1 LEU 47 -1.823 -3.982 -4.672 344 HG LEU 47 HG LEU 47 -3.324 -4.223 -2.792 345 HD11 LEU 47 HD11 LEU 47 -1.835 -5.289 -1.142 346 HD12 LEU 47 HD12 LEU 47 -0.449 -4.602 -1.991 347 HD13 LEU 47 HD13 LEU 47 -1.494 -5.765 -2.805 348 HD21 LEU 47 HD21 LEU 47 -2.880 -3.178 -0.639 349 HD22 LEU 47 HD22 LEU 47 -3.147 -1.969 -1.893 350 HD23 LEU 47 HD23 LEU 47 -1.510 -2.311 -1.331 351 H ARG 48 H ARG 48 1.663 -3.231 -2.475 352 HA ARG 48 HA ARG 48 2.448 -5.433 -4.271 353 HB2 ARG 48 HB2 ARG 48 4.179 -3.682 -2.524 354 HB3 ARG 48 HB1 ARG 48 4.757 -5.110 -3.365 355 HG2 ARG 48 HG2 ARG 48 4.139 -4.065 -5.487 356 HG3 ARG 48 HG1 ARG 48 3.625 -2.629 -4.607 357 HD2 ARG 48 HD2 ARG 48 5.871 -2.312 -3.752 358 HD3 ARG 48 HD1 ARG 48 6.407 -3.785 -4.564 359 HE ARG 48 HE ARG 48 5.513 -2.445 -6.629 360 HH11 ARG 48 HH11 ARG 48 7.461 -1.306 -3.956 361 HH12 ARG 48 HH12 ARG 48 8.190 -0.025 -4.869 362 HH21 ARG 48 HH21 ARG 48 6.491 -0.803 -7.842 363 HH22 ARG 48 HH22 ARG 48 7.642 0.258 -7.094 364 H TRP 49 H TRP 49 2.631 -7.432 -3.446 365 HA TRP 49 HA TRP 49 2.821 -7.720 -0.545 366 HB2 TRP 49 HB2 TRP 49 1.081 -9.409 -0.454 367 HB3 TRP 49 HB1 TRP 49 0.427 -7.905 -1.082 368 HD1 TRP 49 HD1 TRP 49 0.825 -11.543 -1.906 369 HE1 TRP 49 HE1 TRP 49 -0.275 -12.044 -4.180 370 HE3 TRP 49 HE3 TRP 49 0.035 -6.752 -3.503 371 HZ2 TRP 49 HZ2 TRP 49 -1.325 -10.598 -6.362 372 HZ3 TRP 49 HZ3 TRP 49 -1.024 -6.396 -5.692 373 HH2 TRP 49 HH2 TRP 49 -1.689 -8.280 -7.093 374 H ARG 50 H ARG 50 3.886 -9.502 0.164 375 HA ARG 50 HA ARG 50 4.867 -11.407 -1.838 376 HB2 ARG 50 HB2 ARG 50 6.556 -9.584 -1.390 377 HB3 ARG 50 HB1 ARG 50 6.625 -10.144 0.272 378 HG2 ARG 50 HG2 ARG 50 7.151 -12.082 -1.930 379 HG3 ARG 50 HG1 ARG 50 8.397 -10.914 -1.490 380 HD2 ARG 50 HD2 ARG 50 7.072 -12.877 0.380 381 HD3 ARG 50 HD1 ARG 50 8.687 -13.037 -0.308 382 HE ARG 50 HE ARG 50 8.435 -10.576 1.070 383 HH11 ARG 50 HH11 ARG 50 8.828 -14.011 1.596 384 HH12 ARG 50 HH12 ARG 50 9.593 -13.814 3.142 385 HH21 ARG 50 HH21 ARG 50 9.440 -10.305 3.107 386 HH22 ARG 50 HH22 ARG 50 9.942 -11.706 4.001 387 HA PRO 51 HA PRO 51 3.320 -14.116 1.381 388 HB2 PRO 51 HB2 PRO 51 4.596 -16.232 -0.210 389 HB3 PRO 51 HB1 PRO 51 2.896 -16.015 0.206 390 HG2 PRO 51 HG2 PRO 51 3.818 -15.634 -2.293 391 HG3 PRO 51 HG1 PRO 51 2.478 -14.683 -1.625 392 HD2 PRO 51 HD2 PRO 51 5.348 -13.932 -1.984 393 HD3 PRO 51 HD1 PRO 51 3.884 -12.955 -2.219 394 H LYS 52 H LYS 52 4.280 -14.616 3.255 395 HA LYS 52 HA LYS 52 7.106 -14.438 3.547 396 HB2 LYS 52 HB2 LYS 52 4.894 -15.213 5.438 397 HB3 LYS 52 HB1 LYS 52 6.583 -15.177 5.926 398 HG2 LYS 52 HG2 LYS 52 5.200 -12.805 4.709 399 HG3 LYS 52 HG1 LYS 52 5.209 -13.121 6.446 400 HD2 LYS 52 HD2 LYS 52 7.780 -13.076 4.915 401 HD3 LYS 52 HD1 LYS 52 7.021 -11.564 5.410 402 HE2 LYS 52 HE2 LYS 52 7.808 -13.832 7.231 403 HE3 LYS 52 HE1 LYS 52 8.671 -12.304 7.047 404 HZ1 LYS 52 HZ1 LYS 52 5.996 -12.763 8.226 405 HZ2 LYS 52 HZ2 LYS 52 6.503 -11.222 7.736 406 HZ3 LYS 52 HZ3 LYS 52 7.351 -12.053 8.947 407 H ASN 53 H ASN 53 4.899 -17.096 3.128 408 HA ASN 53 HA ASN 53 6.809 -19.111 3.828 409 HB2 ASN 53 HB2 ASN 53 5.224 -20.714 3.135 410 HB3 ASN 53 HB1 ASN 53 4.278 -19.405 3.816 411 HD21 ASN 53 HD21 ASN 53 4.584 -17.717 1.426 412 HD22 ASN 53 HD22 ASN 53 3.556 -18.414 0.227 413 H SER 54 H SER 54 7.001 -16.953 1.498 414 HA SER 54 HA SER 54 8.437 -18.763 -0.305 415 HB2 SER 54 HB2 SER 54 6.697 -16.444 -1.186 416 HB3 SER 54 HB1 SER 54 7.635 -17.499 -2.242 417 HG SER 54 HG SER 54 6.324 -19.255 -1.415 418 H VAL 55 H VAL 55 10.249 -17.820 -1.337 419 HA VAL 55 HA VAL 55 11.121 -15.262 -0.156 420 HB VAL 55 HB VAL 55 13.458 -16.098 -0.364 421 HG11 VAL 55 HG11 VAL 55 13.381 -17.592 1.580 422 HG12 VAL 55 HG12 VAL 55 11.641 -17.779 1.360 423 HG13 VAL 55 HG13 VAL 55 12.313 -16.203 1.778 424 HG21 VAL 55 HG21 VAL 55 13.128 -17.784 -2.083 425 HG22 VAL 55 HG22 VAL 55 12.119 -18.731 -0.991 426 HG23 VAL 55 HG23 VAL 55 13.834 -18.515 -0.643 427 H GLY 56 H GLY 56 9.683 -15.790 -2.657 428 HA2 GLY 56 HA2 GLY 56 11.665 -15.475 -4.754 429 HA3 GLY 56 HA1 GLY 56 9.934 -15.653 -4.974 430 H ARG 57 H ARG 57 8.906 -13.923 -5.675 431 HA ARG 57 HA ARG 57 10.267 -11.321 -5.411 432 HB2 ARG 57 HB2 ARG 57 8.581 -12.397 -7.670 433 HB3 ARG 57 HB1 ARG 57 9.183 -10.749 -7.577 434 HG2 ARG 57 HG2 ARG 57 11.464 -11.533 -7.683 435 HG3 ARG 57 HG1 ARG 57 10.913 -13.211 -7.660 436 HD2 ARG 57 HD2 ARG 57 10.244 -11.186 -9.786 437 HD3 ARG 57 HD1 ARG 57 11.487 -12.428 -9.926 438 HE ARG 57 HE ARG 57 9.559 -14.041 -9.569 439 HH11 ARG 57 HH11 ARG 57 9.154 -10.925 -11.127 440 HH12 ARG 57 HH12 ARG 57 7.782 -11.431 -12.057 441 HH21 ARG 57 HH21 ARG 57 7.766 -14.709 -10.798 442 HH22 ARG 57 HH22 ARG 57 6.992 -13.586 -11.872 443 H TRP 58 H TRP 58 8.926 -9.439 -5.386 444 HA TRP 58 HA TRP 58 6.468 -9.757 -3.908 445 HB2 TRP 58 HB2 TRP 58 7.996 -7.356 -4.915 446 HB3 TRP 58 HB1 TRP 58 6.430 -7.209 -4.130 447 HD1 TRP 58 HD1 TRP 58 9.902 -8.750 -3.278 448 HE1 TRP 58 HE1 TRP 58 10.328 -8.365 -0.765 449 HE3 TRP 58 HE3 TRP 58 5.491 -6.484 -2.051 450 HZ2 TRP 58 HZ2 TRP 58 8.965 -7.242 1.438 451 HZ3 TRP 58 HZ3 TRP 58 5.131 -5.779 0.278 452 HH2 TRP 58 HH2 TRP 58 6.835 -6.152 1.985 453 H LYS 59 H LYS 59 4.413 -9.441 -4.658 454 HA LYS 59 HA LYS 59 4.106 -9.217 -7.561 455 HB2 LYS 59 HB2 LYS 59 2.058 -9.892 -5.439 456 HB3 LYS 59 HB1 LYS 59 1.795 -9.953 -7.175 457 HG2 LYS 59 HG2 LYS 59 3.526 -11.700 -7.344 458 HG3 LYS 59 HG1 LYS 59 3.679 -11.679 -5.586 459 HD2 LYS 59 HD2 LYS 59 1.315 -12.300 -5.382 460 HD3 LYS 59 HD1 LYS 59 1.175 -12.335 -7.139 461 HE2 LYS 59 HE2 LYS 59 2.958 -14.091 -5.461 462 HE3 LYS 59 HE1 LYS 59 1.452 -14.580 -6.236 463 HZ1 LYS 59 HZ1 LYS 59 3.930 -13.699 -7.615 464 HZ2 LYS 59 HZ2 LYS 59 2.475 -14.081 -8.388 465 HZ3 LYS 59 HZ3 LYS 59 3.324 -15.277 -7.549 466 H GLU 60 H GLU 60 3.023 -7.532 -8.532 467 HA GLU 60 HA GLU 60 2.424 -5.261 -6.753 468 HB2 GLU 60 HB2 GLU 60 3.491 -5.120 -9.576 469 HB3 GLU 60 HB1 GLU 60 3.230 -3.768 -8.484 470 HG2 GLU 60 HG2 GLU 60 4.949 -4.708 -6.978 471 HG3 GLU 60 HG1 GLU 60 5.252 -5.972 -8.164 472 H ALA 61 H ALA 61 0.574 -4.150 -7.051 473 HA ALA 61 HA ALA 61 -0.978 -4.621 -9.506 474 HB1 ALA 61 HB1 ALA 61 -3.053 -4.587 -8.196 475 HB2 ALA 61 HB2 ALA 61 -2.111 -4.480 -6.709 476 HB3 ALA 61 HB3 ALA 61 -2.010 -5.925 -7.713 477 H THR 62 H THR 62 -1.782 -2.782 -10.421 478 HA THR 62 HA THR 62 -1.108 -0.280 -9.032 479 HB THR 62 HB THR 62 -1.555 -0.589 -11.999 480 HG1 THR 62 HG1 THR 62 0.206 -1.845 -11.696 481 HG21 THR 62 HG21 THR 62 -0.077 1.474 -10.356 482 HG22 THR 62 HG22 THR 62 -1.663 1.691 -11.095 483 HG23 THR 62 HG23 THR 62 -0.238 1.475 -12.112 484 H ILE 63 H ILE 63 -2.762 0.799 -8.234 485 HA ILE 63 HA ILE 63 -5.421 0.466 -9.462 486 HB ILE 63 HB ILE 63 -4.715 1.330 -6.648 487 HG12 ILE 63 HG12 ILE 63 -6.098 -0.880 -6.213 488 HG13 ILE 63 HG11 ILE 63 -5.539 -1.291 -7.829 489 HG21 ILE 63 HG21 ILE 63 -7.412 0.813 -7.885 490 HG22 ILE 63 HG22 ILE 63 -6.757 2.392 -7.447 491 HG23 ILE 63 HG23 ILE 63 -7.105 1.201 -6.192 492 HD11 ILE 63 HD11 ILE 63 -3.226 -1.031 -7.093 493 HD12 ILE 63 HD12 ILE 63 -4.089 -2.226 -6.124 494 HD13 ILE 63 HD13 ILE 63 -3.789 -0.614 -5.473 495 HA PRO 64 HA PRO 64 -5.267 4.723 -10.911 496 HB2 PRO 64 HB2 PRO 64 -8.202 4.458 -10.377 497 HB3 PRO 64 HB1 PRO 64 -7.367 5.059 -11.819 498 HG2 PRO 64 HG2 PRO 64 -8.447 2.634 -11.807 499 HG3 PRO 64 HG1 PRO 64 -6.884 2.925 -12.593 500 HD2 PRO 64 HD2 PRO 64 -7.480 1.602 -9.987 501 HD3 PRO 64 HD1 PRO 64 -6.216 1.237 -11.178 502 H GLY 65 H GLY 65 -5.224 6.709 -9.933 503 HA2 GLY 65 HA2 GLY 65 -5.549 6.921 -7.107 504 HA3 GLY 65 HA1 GLY 65 -5.232 8.246 -8.217 505 H HIS 66 H HIS 66 -7.806 6.024 -7.311 506 HA HIS 66 HA HIS 66 -9.803 8.000 -6.960 507 HB2 HIS 66 HB2 HIS 66 -9.755 8.253 -9.344 508 HB3 HIS 66 HB1 HIS 66 -9.705 6.515 -9.592 509 HD1 HIS 66 HD1 HIS 66 -12.087 9.289 -8.668 510 HD2 HIS 66 HD2 HIS 66 -12.144 5.259 -9.688 511 HE1 HIS 66 HE1 HIS 66 -14.505 8.722 -9.049 512 HE2 HIS 66 HE2 HIS 66 -14.531 6.243 -9.496 513 H LEU 67 H LEU 67 -8.726 4.735 -7.361 514 HA LEU 67 HA LEU 67 -11.130 3.729 -6.004 515 HB2 LEU 67 HB2 LEU 67 -8.891 2.105 -7.204 516 HB3 LEU 67 HB1 LEU 67 -10.450 1.521 -6.662 517 HG LEU 67 HG LEU 67 -9.915 3.243 -9.077 518 HD11 LEU 67 HD11 LEU 67 -10.729 1.311 -10.316 519 HD12 LEU 67 HD12 LEU 67 -10.917 0.416 -8.809 520 HD13 LEU 67 HD13 LEU 67 -9.312 0.899 -9.351 521 HD21 LEU 67 HD21 LEU 67 -12.014 3.885 -8.003 522 HD22 LEU 67 HD22 LEU 67 -12.531 2.198 -8.004 523 HD23 LEU 67 HD23 LEU 67 -12.304 3.051 -9.529 524 H ASN 68 H ASN 68 -10.990 2.802 -4.000 525 HA ASN 68 HA ASN 68 -8.324 2.801 -2.749 526 HB2 ASN 68 HB2 ASN 68 -9.287 3.573 -0.671 527 HB3 ASN 68 HB1 ASN 68 -9.717 4.698 -1.952 528 HD21 ASN 68 HD21 ASN 68 -10.931 3.988 0.680 529 HD22 ASN 68 HD22 ASN 68 -12.593 3.664 0.321 530 H SER 69 H SER 69 -10.147 0.733 -4.012 531 HA SER 69 HA SER 69 -9.878 -1.217 -1.855 532 HB2 SER 69 HB2 SER 69 -12.233 -0.448 -1.814 533 HB3 SER 69 HB1 SER 69 -12.395 -0.897 -3.511 534 HG SER 69 HG SER 69 -12.843 -2.821 -2.835 535 H TYR 70 H TYR 70 -9.041 -3.086 -2.549 536 HA TYR 70 HA TYR 70 -9.328 -3.825 -5.367 537 HB2 TYR 70 HB2 TYR 70 -7.149 -2.652 -5.124 538 HB3 TYR 70 HB1 TYR 70 -6.672 -3.823 -3.899 539 HD1 TYR 70 HD1 TYR 70 -7.688 -3.550 -7.473 540 HD2 TYR 70 HD2 TYR 70 -5.604 -5.808 -4.529 541 HE1 TYR 70 HE1 TYR 70 -6.789 -5.008 -9.237 542 HE2 TYR 70 HE2 TYR 70 -4.698 -7.270 -6.287 543 HH TYR 70 HH TYR 70 -5.239 -7.963 -8.563 544 H THR 71 H THR 71 -9.640 -5.980 -5.658 545 HA THR 71 HA THR 71 -9.577 -7.656 -3.256 546 HB THR 71 HB THR 71 -10.859 -8.221 -5.933 547 HG1 THR 71 HG1 THR 71 -11.948 -6.526 -4.920 548 HG21 THR 71 HG21 THR 71 -11.102 -9.624 -3.271 549 HG22 THR 71 HG22 THR 71 -10.328 -10.258 -4.725 550 HG23 THR 71 HG23 THR 71 -12.069 -9.981 -4.702 551 H ILE 72 H ILE 72 -7.623 -8.562 -3.012 552 HA ILE 72 HA ILE 72 -5.987 -9.300 -5.268 553 HB ILE 72 HB ILE 72 -5.538 -9.959 -2.352 554 HG12 ILE 72 HG12 ILE 72 -4.489 -7.629 -3.975 555 HG13 ILE 72 HG11 ILE 72 -5.707 -7.523 -2.709 556 HG21 ILE 72 HG21 ILE 72 -3.198 -10.230 -3.032 557 HG22 ILE 72 HG22 ILE 72 -3.650 -9.903 -4.704 558 HG23 ILE 72 HG23 ILE 72 -4.259 -11.345 -3.892 559 HD11 ILE 72 HD11 ILE 72 -3.625 -6.814 -1.797 560 HD12 ILE 72 HD12 ILE 72 -2.814 -8.265 -2.403 561 HD13 ILE 72 HD13 ILE 72 -4.005 -8.400 -1.114 562 H LYS 73 H LYS 73 -6.372 -11.071 -6.381 563 HA LYS 73 HA LYS 73 -7.728 -13.324 -5.093 564 HB2 LYS 73 HB2 LYS 73 -7.260 -12.747 -8.026 565 HB3 LYS 73 HB1 LYS 73 -8.224 -14.068 -7.377 566 HG2 LYS 73 HG2 LYS 73 -9.864 -12.565 -6.530 567 HG3 LYS 73 HG1 LYS 73 -8.841 -11.167 -6.873 568 HD2 LYS 73 HD2 LYS 73 -8.991 -11.695 -9.283 569 HD3 LYS 73 HD1 LYS 73 -10.088 -13.024 -8.899 570 HE2 LYS 73 HE2 LYS 73 -10.609 -10.155 -8.146 571 HE3 LYS 73 HE1 LYS 73 -11.194 -10.890 -9.637 572 HZ1 LYS 73 HZ1 LYS 73 -12.888 -10.937 -7.940 573 HZ2 LYS 73 HZ2 LYS 73 -11.864 -11.763 -6.880 574 HZ3 LYS 73 HZ3 LYS 73 -12.399 -12.516 -8.294 575 H GLY 74 H GLY 74 -6.860 -15.365 -5.061 576 HA2 GLY 74 HA2 GLY 74 -5.343 -17.055 -5.712 577 HA3 GLY 74 HA1 GLY 74 -4.309 -15.824 -6.422 578 H LEU 75 H LEU 75 -5.649 -15.560 -3.200 579 HA LEU 75 HA LEU 75 -2.931 -15.834 -2.117 580 HB2 LEU 75 HB2 LEU 75 -5.393 -14.512 -0.979 581 HB3 LEU 75 HB1 LEU 75 -3.908 -14.739 -0.077 582 HG LEU 75 HG LEU 75 -4.336 -12.973 -2.489 583 HD11 LEU 75 HD11 LEU 75 -3.527 -12.416 0.354 584 HD12 LEU 75 HD12 LEU 75 -5.086 -12.055 -0.383 585 HD13 LEU 75 HD13 LEU 75 -3.635 -11.219 -0.936 586 HD21 LEU 75 HD21 LEU 75 -1.759 -13.667 -1.078 587 HD22 LEU 75 HD22 LEU 75 -1.957 -12.371 -2.256 588 HD23 LEU 75 HD23 LEU 75 -2.181 -14.049 -2.747 589 H LYS 76 H LYS 76 -2.442 -17.384 -0.677 590 HA LYS 76 HA LYS 76 -4.361 -19.490 -0.192 591 HB2 LYS 76 HB2 LYS 76 -1.543 -19.156 0.856 592 HB3 LYS 76 HB1 LYS 76 -2.502 -20.629 0.913 593 HG2 LYS 76 HG2 LYS 76 -2.422 -20.847 -1.468 594 HG3 LYS 76 HG1 LYS 76 -1.654 -19.268 -1.632 595 HD2 LYS 76 HD2 LYS 76 0.286 -20.109 -0.361 596 HD3 LYS 76 HD1 LYS 76 -0.478 -21.696 -0.285 597 HE2 LYS 76 HE2 LYS 76 1.173 -21.631 -2.063 598 HE3 LYS 76 HE1 LYS 76 -0.448 -21.823 -2.730 599 HZ1 LYS 76 HZ1 LYS 76 -0.478 -19.472 -3.252 600 HZ2 LYS 76 HZ2 LYS 76 0.852 -20.217 -3.979 601 HZ3 LYS 76 HZ3 LYS 76 1.065 -19.272 -2.592 602 HA PRO 77 HA PRO 77 -5.784 -17.605 3.596 603 HB2 PRO 77 HB2 PRO 77 -7.232 -19.731 4.501 604 HB3 PRO 77 HB1 PRO 77 -7.801 -18.631 3.242 605 HG2 PRO 77 HG2 PRO 77 -6.561 -21.340 2.974 606 HG3 PRO 77 HG1 PRO 77 -7.928 -20.640 2.088 607 HD2 PRO 77 HD2 PRO 77 -5.436 -20.788 1.043 608 HD3 PRO 77 HD1 PRO 77 -6.561 -19.472 0.649 609 H GLY 78 H GLY 78 -4.587 -17.371 5.366 610 HA2 GLY 78 HA2 GLY 78 -3.876 -18.241 7.492 611 HA3 GLY 78 HA1 GLY 78 -3.553 -19.778 6.707 612 H VAL 79 H VAL 79 -2.300 -18.317 4.420 613 HA VAL 79 HA VAL 79 0.378 -18.340 5.430 614 HB VAL 79 HB VAL 79 -0.710 -17.576 2.710 615 HG11 VAL 79 HG11 VAL 79 1.452 -16.512 3.079 616 HG12 VAL 79 HG12 VAL 79 1.580 -17.820 1.901 617 HG13 VAL 79 HG13 VAL 79 2.140 -18.066 3.554 618 HG21 VAL 79 HG21 VAL 79 0.180 -19.763 2.034 619 HG22 VAL 79 HG22 VAL 79 -1.090 -19.901 3.255 620 HG23 VAL 79 HG23 VAL 79 0.604 -20.090 3.714 621 H VAL 80 H VAL 80 1.744 -16.626 5.783 622 HA VAL 80 HA VAL 80 0.441 -14.082 6.282 623 HB VAL 80 HB VAL 80 3.330 -14.834 6.757 624 HG11 VAL 80 HG11 VAL 80 3.300 -12.985 8.359 625 HG12 VAL 80 HG12 VAL 80 1.629 -12.630 7.920 626 HG13 VAL 80 HG13 VAL 80 2.915 -12.428 6.730 627 HG21 VAL 80 HG21 VAL 80 0.969 -15.029 8.616 628 HG22 VAL 80 HG22 VAL 80 2.653 -15.236 9.089 629 HG23 VAL 80 HG23 VAL 80 1.908 -16.369 7.964 630 H TYR 81 H TYR 81 0.751 -12.246 5.137 631 HA TYR 81 HA TYR 81 2.723 -12.328 2.954 632 HB2 TYR 81 HB2 TYR 81 -0.018 -11.048 2.848 633 HB3 TYR 81 HB1 TYR 81 1.185 -11.024 1.561 634 HD1 TYR 81 HD1 TYR 81 1.645 -13.034 0.253 635 HD2 TYR 81 HD2 TYR 81 -1.308 -13.029 3.309 636 HE1 TYR 81 HE1 TYR 81 0.756 -15.157 -0.606 637 HE2 TYR 81 HE2 TYR 81 -2.202 -15.149 2.458 638 HH TYR 81 HH TYR 81 -2.134 -16.623 0.812 639 H GLU 82 H GLU 82 3.856 -10.500 2.556 640 HA GLU 82 HA GLU 82 3.589 -8.336 4.522 641 HB2 GLU 82 HB2 GLU 82 5.829 -9.001 2.593 642 HB3 GLU 82 HB1 GLU 82 5.843 -7.661 3.731 643 HG2 GLU 82 HG2 GLU 82 5.655 -10.558 4.502 644 HG3 GLU 82 HG1 GLU 82 7.147 -9.621 4.472 645 H GLY 83 H GLY 83 2.488 -6.602 3.868 646 HA2 GLY 83 HA2 GLY 83 2.343 -6.126 0.958 647 HA3 GLY 83 HA1 GLY 83 0.994 -5.856 2.054 648 H GLN 84 H GLN 84 2.473 -4.108 0.175 649 HA GLN 84 HA GLN 84 2.808 -1.897 2.069 650 HB2 GLN 84 HB2 GLN 84 4.617 -2.436 -0.296 651 HB3 GLN 84 HB1 GLN 84 4.668 -0.998 0.713 652 HG2 GLN 84 HG2 GLN 84 5.214 -2.445 2.649 653 HG3 GLN 84 HG1 GLN 84 5.286 -3.819 1.549 654 HE21 GLN 84 HE21 GLN 84 6.953 -3.956 0.064 655 HE22 GLN 84 HE22 GLN 84 8.405 -3.029 0.218 656 H LEU 85 H LEU 85 1.576 -0.227 1.547 657 HA LEU 85 HA LEU 85 0.448 -0.096 -1.160 658 HB2 LEU 85 HB2 LEU 85 -1.054 -0.058 0.877 659 HB3 LEU 85 HB1 LEU 85 -0.353 1.490 1.289 660 HG LEU 85 HG LEU 85 -2.627 1.535 0.165 661 HD11 LEU 85 HD11 LEU 85 -0.402 3.059 -1.173 662 HD12 LEU 85 HD12 LEU 85 -1.242 3.528 0.306 663 HD13 LEU 85 HD13 LEU 85 -2.115 3.468 -1.225 664 HD21 LEU 85 HD21 LEU 85 -1.013 0.879 -2.294 665 HD22 LEU 85 HD22 LEU 85 -2.729 1.282 -2.234 666 HD23 LEU 85 HD23 LEU 85 -2.147 -0.212 -1.502 667 H ILE 86 H ILE 86 1.808 0.960 -2.454 668 HA ILE 86 HA ILE 86 3.184 3.338 -1.431 669 HB ILE 86 HB ILE 86 3.567 2.029 -4.135 670 HG12 ILE 86 HG12 ILE 86 5.820 1.342 -2.996 671 HG13 ILE 86 HG11 ILE 86 4.921 1.534 -1.500 672 HG21 ILE 86 HG21 ILE 86 5.281 4.000 -2.624 673 HG22 ILE 86 HG22 ILE 86 4.223 4.391 -3.982 674 HG23 ILE 86 HG23 ILE 86 5.615 3.336 -4.227 675 HD11 ILE 86 HD11 ILE 86 4.215 -0.330 -3.752 676 HD12 ILE 86 HD12 ILE 86 3.317 -0.143 -2.245 677 HD13 ILE 86 HD13 ILE 86 4.961 -0.781 -2.218 678 H SER 87 H SER 87 1.896 5.055 -1.523 679 HA SER 87 HA SER 87 0.158 5.437 -3.834 680 HB2 SER 87 HB2 SER 87 -0.599 7.465 -2.460 681 HB3 SER 87 HB1 SER 87 -0.966 5.874 -1.798 682 HG SER 87 HG SER 87 1.476 6.875 -1.031 683 H ILE 88 H ILE 88 0.858 6.514 -5.532 684 HA ILE 88 HA ILE 88 3.207 8.235 -5.286 685 HB ILE 88 HB ILE 88 1.743 7.396 -7.793 686 HG12 ILE 88 HG12 ILE 88 2.638 5.439 -6.602 687 HG13 ILE 88 HG11 ILE 88 3.508 5.729 -8.104 688 HG21 ILE 88 HG21 ILE 88 3.806 8.061 -8.938 689 HG22 ILE 88 HG22 ILE 88 4.481 8.596 -7.399 690 HG23 ILE 88 HG23 ILE 88 3.071 9.411 -8.073 691 HD11 ILE 88 HD11 ILE 88 4.451 6.450 -5.342 692 HD12 ILE 88 HD12 ILE 88 5.321 6.768 -6.843 693 HD13 ILE 88 HD13 ILE 88 5.025 5.107 -6.331 694 H GLN 89 H GLN 89 2.823 10.298 -4.819 695 HA GLN 89 HA GLN 89 0.322 11.566 -5.532 696 HB2 GLN 89 HB2 GLN 89 2.793 12.683 -4.209 697 HB3 GLN 89 HB1 GLN 89 1.260 13.523 -4.374 698 HG2 GLN 89 HG2 GLN 89 0.187 11.796 -2.997 699 HG3 GLN 89 HG1 GLN 89 1.754 11.011 -2.795 700 HE21 GLN 89 HE21 GLN 89 1.829 11.296 -0.591 701 HE22 GLN 89 HE22 GLN 89 2.052 12.847 0.147 702 H GLN 90 H GLN 90 0.199 13.540 -6.722 703 HA GLN 90 HA GLN 90 1.565 13.398 -9.200 704 HB2 GLN 90 HB2 GLN 90 0.320 15.434 -9.773 705 HB3 GLN 90 HB1 GLN 90 -0.722 14.220 -9.043 706 HG2 GLN 90 HG2 GLN 90 -0.652 15.400 -6.926 707 HG3 GLN 90 HG1 GLN 90 0.448 16.595 -7.610 708 HE21 GLN 90 HE21 GLN 90 -0.957 18.282 -7.207 709 HE22 GLN 90 HE22 GLN 90 -2.393 18.527 -8.136 710 H TYR 91 H TYR 91 2.494 14.766 -6.265 711 HA TYR 91 HA TYR 91 4.236 16.745 -7.507 712 HB2 TYR 91 HB2 TYR 91 3.744 16.011 -4.619 713 HB3 TYR 91 HB1 TYR 91 4.951 17.186 -5.126 714 HD1 TYR 91 HD1 TYR 91 1.797 16.928 -3.815 715 HD2 TYR 91 HD2 TYR 91 3.865 18.946 -6.930 716 HE1 TYR 91 HE1 TYR 91 0.088 18.694 -3.796 717 HE2 TYR 91 HE2 TYR 91 2.167 20.720 -6.918 718 HH TYR 91 HH TYR 91 -0.036 21.125 -4.436 719 H GLY 92 H GLY 92 4.300 13.502 -7.057 720 HA2 GLY 92 HA2 GLY 92 6.114 12.104 -7.547 721 HA3 GLY 92 HA1 GLY 92 7.208 13.442 -7.235 722 H HIS 93 H HIS 93 5.006 13.309 -4.755 723 HA HIS 93 HA HIS 93 6.923 12.233 -2.911 724 HB2 HIS 93 HB2 HIS 93 4.621 13.856 -2.701 725 HB3 HIS 93 HB1 HIS 93 4.252 12.387 -1.812 726 HD1 HIS 93 HD1 HIS 93 5.509 11.978 0.400 727 HD2 HIS 93 HD2 HIS 93 6.687 15.430 -1.612 728 HE1 HIS 93 HE1 HIS 93 6.917 13.273 2.028 729 HE2 HIS 93 HE2 HIS 93 7.484 15.421 0.850 730 H GLN 94 H GLN 94 7.232 10.125 -2.587 731 HA GLN 94 HA GLN 94 5.040 8.277 -3.209 732 HB2 GLN 94 HB2 GLN 94 7.970 7.730 -2.672 733 HB3 GLN 94 HB1 GLN 94 6.771 6.516 -3.095 734 HG2 GLN 94 HG2 GLN 94 6.446 7.571 -5.261 735 HG3 GLN 94 HG1 GLN 94 7.613 8.819 -4.838 736 HE21 GLN 94 HE21 GLN 94 7.645 6.915 -7.038 737 HE22 GLN 94 HE22 GLN 94 9.117 6.022 -6.880 738 H GLU 95 H GLU 95 3.827 7.617 -1.582 739 HA GLU 95 HA GLU 95 5.024 7.539 1.105 740 HB2 GLU 95 HB2 GLU 95 2.128 7.873 0.304 741 HB3 GLU 95 HB1 GLU 95 2.694 7.706 1.959 742 HG2 GLU 95 HG2 GLU 95 3.281 9.956 0.052 743 HG3 GLU 95 HG1 GLU 95 2.283 10.017 1.504 744 H VAL 96 H VAL 96 5.348 5.595 1.930 745 HA VAL 96 HA VAL 96 3.905 3.337 0.709 746 HB VAL 96 HB VAL 96 6.671 3.269 1.922 747 HG11 VAL 96 HG11 VAL 96 5.612 1.140 2.123 748 HG12 VAL 96 HG12 VAL 96 6.757 1.042 0.784 749 HG13 VAL 96 HG13 VAL 96 5.034 1.208 0.459 750 HG21 VAL 96 HG21 VAL 96 6.722 4.571 -0.115 751 HG22 VAL 96 HG22 VAL 96 5.831 3.318 -0.977 752 HG23 VAL 96 HG23 VAL 96 7.467 2.999 -0.399 753 H THR 97 H THR 97 2.372 2.740 2.087 754 HA THR 97 HA THR 97 2.968 2.664 4.945 755 HB THR 97 HB THR 97 0.344 2.198 3.515 756 HG1 THR 97 HG1 THR 97 -0.081 4.326 4.570 757 HG21 THR 97 HG21 THR 97 0.385 1.046 5.646 758 HG22 THR 97 HG22 THR 97 -0.637 2.478 5.775 759 HG23 THR 97 HG23 THR 97 0.990 2.494 6.451 760 H ARG 98 H ARG 98 3.738 0.854 5.779 761 HA ARG 98 HA ARG 98 3.504 -1.638 4.293 762 HB2 ARG 98 HB2 ARG 98 5.075 -0.965 6.786 763 HB3 ARG 98 HB1 ARG 98 5.137 -2.503 5.938 764 HG2 ARG 98 HG2 ARG 98 5.975 -1.302 3.933 765 HG3 ARG 98 HG1 ARG 98 6.024 0.175 4.893 766 HD2 ARG 98 HD2 ARG 98 7.634 -0.783 6.389 767 HD3 ARG 98 HD1 ARG 98 7.489 -2.355 5.613 768 HE ARG 98 HE ARG 98 8.456 -1.253 3.595 769 HH11 ARG 98 HH11 ARG 98 9.009 0.148 6.761 770 HH12 ARG 98 HH12 ARG 98 10.557 0.804 6.335 771 HH21 ARG 98 HH21 ARG 98 10.498 -0.382 3.042 772 HH22 ARG 98 HH22 ARG 98 11.401 0.502 4.232 773 H PHE 99 H PHE 99 2.472 -3.444 4.994 774 HA PHE 99 HA PHE 99 1.290 -3.582 7.621 775 HB2 PHE 99 HB2 PHE 99 -1.027 -3.798 6.816 776 HB3 PHE 99 HB1 PHE 99 -0.369 -2.206 6.464 777 HD1 PHE 99 HD1 PHE 99 0.569 -1.845 4.078 778 HD2 PHE 99 HD2 PHE 99 -2.038 -5.034 5.144 779 HE1 PHE 99 HE1 PHE 99 -0.071 -2.107 1.718 780 HE2 PHE 99 HE2 PHE 99 -2.680 -5.303 2.785 781 HZ PHE 99 HZ PHE 99 -1.694 -3.839 1.070 782 H ASP 100 H ASP 100 -0.315 -5.621 7.527 783 HA ASP 100 HA ASP 100 0.787 -7.720 5.823 784 HB2 ASP 100 HB2 ASP 100 1.182 -9.231 7.682 785 HB3 ASP 100 HB1 ASP 100 2.108 -7.757 7.946 786 H PHE 101 H PHE 101 -0.596 -9.678 5.860 787 HA PHE 101 HA PHE 101 -3.196 -9.437 7.058 788 HB2 PHE 101 HB2 PHE 101 -4.388 -9.552 4.828 789 HB3 PHE 101 HB1 PHE 101 -3.685 -7.998 5.251 790 HD1 PHE 101 HD1 PHE 101 -3.355 -10.954 3.086 791 HD2 PHE 101 HD2 PHE 101 -1.933 -7.042 3.962 792 HE1 PHE 101 HE1 PHE 101 -2.168 -10.903 0.932 793 HE2 PHE 101 HE2 PHE 101 -0.745 -6.988 1.812 794 HZ PHE 101 HZ PHE 101 -0.865 -8.920 0.292 795 H THR 102 H THR 102 -4.575 -11.251 6.671 796 HA THR 102 HA THR 102 -5.120 -13.423 6.368 797 HB THR 102 HB THR 102 -2.780 -13.731 4.490 798 HG1 THR 102 HG1 THR 102 -3.909 -12.676 2.956 799 HG21 THR 102 HG21 THR 102 -4.312 -15.271 3.334 800 HG22 THR 102 HG22 THR 102 -5.542 -14.959 4.559 801 HG23 THR 102 HG23 THR 102 -4.037 -15.763 5.004 802 H THR 103 H THR 103 -2.805 -12.415 8.152 803 HA THR 103 HA THR 103 -1.017 -14.576 8.512 804 HB THR 103 HB THR 103 -1.810 -12.408 10.470 805 HG1 THR 103 HG1 THR 103 -0.796 -11.234 9.012 806 HG21 THR 103 HG21 THR 103 0.319 -12.869 11.566 807 HG22 THR 103 HG22 THR 103 0.645 -14.166 10.419 808 HG23 THR 103 HG23 THR 103 -0.695 -14.311 11.556 809 H THR 104 H THR 104 -1.610 -16.564 9.174 810 HA THR 104 HA THR 104 -3.821 -17.002 10.949 811 HB THR 104 HB THR 104 -3.032 -18.719 9.284 812 HG1 THR 104 HG1 THR 104 -4.262 -19.728 10.712 813 HG21 THR 104 HG21 THR 104 -1.135 -20.144 9.897 814 HG22 THR 104 HG22 THR 104 -0.786 -19.089 11.267 815 HG23 THR 104 HG23 THR 104 -0.623 -18.479 9.621 816 H SER 105 H SER 105 -3.532 -18.043 13.096 817 HA SER 105 HA SER 105 -2.849 -17.859 15.257 818 HB2 SER 105 HB2 SER 105 -0.055 -17.530 14.136 819 HB3 SER 105 HB1 SER 105 -0.497 -18.097 15.744 820 HG SER 105 HG SER 105 -1.667 -19.820 14.471 821 H THR 106 H THR 106 -4.033 -15.793 15.040 822 HA THR 106 HA THR 106 -2.786 -13.347 14.486 823 HB THR 106 HB THR 106 -4.781 -12.418 15.844 824 HG1 THR 106 HG1 THR 106 -5.018 -14.650 16.837 825 HG21 THR 106 HG21 THR 106 -4.705 -12.493 13.400 826 HG22 THR 106 HG22 THR 106 -6.320 -12.882 13.994 827 HG23 THR 106 HG23 THR 106 -5.255 -14.170 13.429 828 H SER 107 H SER 107 -0.877 -13.177 15.612 829 HA SER 107 HA SER 107 -0.832 -13.273 18.486 830 HB2 SER 107 HB2 SER 107 1.266 -12.341 16.511 831 HB3 SER 107 HB1 SER 107 1.529 -12.634 18.231 832 HG SER 107 HG SER 107 0.354 -14.757 16.975 833 H THR 108 H THR 108 -0.774 -10.801 15.969 834 HA THR 108 HA THR 108 -2.242 -8.946 17.386 835 HB THR 108 HB THR 108 -0.354 -8.724 18.924 836 HG1 THR 108 HG1 THR 108 -1.004 -6.722 18.966 837 HG21 THR 108 HG21 THR 108 1.244 -7.875 16.505 838 HG22 THR 108 HG22 THR 108 1.478 -9.356 17.434 839 HG23 THR 108 HG23 THR 108 1.788 -7.788 18.180 840 HA PRO 109 HA PRO 109 -2.038 -7.430 13.173 841 HB2 PRO 109 HB2 PRO 109 -4.066 -5.666 13.383 842 HB3 PRO 109 HB1 PRO 109 -4.343 -7.406 13.262 843 HG2 PRO 109 HG2 PRO 109 -4.354 -5.650 15.685 844 HG3 PRO 109 HG1 PRO 109 -5.470 -6.956 15.242 845 HD2 PRO 109 HD2 PRO 109 -3.430 -7.272 17.018 846 HD3 PRO 109 HD1 PRO 109 -4.061 -8.591 16.019 847 H GLY 110 H GLY 110 -1.363 -5.795 16.089 848 HA2 GLY 110 HA2 GLY 110 0.601 -4.189 15.369 849 HA3 GLY 110 HA1 GLY 110 -0.759 -3.268 14.750 850 H SER 111 H SER 111 -0.255 -1.553 16.142 851 HA SER 111 HA SER 111 0.108 -1.838 18.931 852 HB2 SER 111 HB2 SER 111 -0.749 0.621 17.391 853 HB3 SER 111 HB1 SER 111 -0.010 0.586 18.992 854 HG SER 111 HG SER 111 1.565 -0.782 17.359 855 H ARG 112 H ARG 112 -2.690 -1.759 16.958 856 HA ARG 112 HA ARG 112 -4.575 -0.776 18.821 857 HB2 ARG 112 HB2 ARG 112 -4.881 -2.616 16.450 858 HB3 ARG 112 HB1 ARG 112 -6.237 -2.006 17.385 859 HG2 ARG 112 HG2 ARG 112 -5.628 0.280 16.795 860 HG3 ARG 112 HG1 ARG 112 -4.253 -0.324 15.870 861 HD2 ARG 112 HD2 ARG 112 -7.140 -1.002 15.326 862 HD3 ARG 112 HD1 ARG 112 -6.210 0.217 14.460 863 HE ARG 112 HE ARG 112 -4.707 -1.678 13.798 864 HH11 ARG 112 HH11 ARG 112 -8.060 -2.270 14.635 865 HH12 ARG 112 HH12 ARG 112 -8.196 -3.662 13.608 866 HH21 ARG 112 HH21 ARG 112 -4.891 -3.503 12.452 867 HH22 ARG 112 HH22 ARG 112 -6.395 -4.359 12.361 868 H SER 113 H SER 113 -2.857 -3.714 18.695 869 HA SER 113 HA SER 113 -4.669 -4.864 20.708 870 HB2 SER 113 HB2 SER 113 -4.752 -6.088 18.527 871 HB3 SER 113 HB1 SER 113 -3.028 -6.415 18.693 872 HG SER 113 HG SER 113 -4.386 -8.138 19.439 873 H HIS 114 H HIS 114 -3.494 -4.086 22.449 874 HA HIS 114 HA HIS 114 -0.875 -5.356 22.810 875 HB2 HIS 114 HB2 HIS 114 -0.017 -3.331 23.933 876 HB3 HIS 114 HB1 HIS 114 -0.395 -3.050 22.242 877 HD1 HIS 114 HD1 HIS 114 -2.067 -1.221 21.713 878 HD2 HIS 114 HD2 HIS 114 -1.817 -2.077 25.777 879 HE1 HIS 114 HE1 HIS 114 -3.362 0.595 22.871 880 HE2 HIS 114 HE2 HIS 114 -3.062 0.143 25.332 881 H HIS 115 H HIS 115 -3.634 -5.947 23.746 882 HA HIS 115 HA HIS 115 -3.137 -5.829 26.646 883 HB2 HIS 115 HB2 HIS 115 -5.657 -6.412 25.081 884 HB3 HIS 115 HB1 HIS 115 -5.517 -6.716 26.807 885 HD1 HIS 115 HD1 HIS 115 -5.187 -4.567 28.347 886 HD2 HIS 115 HD2 HIS 115 -6.224 -3.818 24.390 887 HE1 HIS 115 HE1 HIS 115 -5.985 -2.185 28.294 888 HE2 HIS 115 HE2 HIS 115 -6.774 -1.816 25.931 889 H HIS 116 H HIS 116 -4.531 -8.138 24.316 890 HA HIS 116 HA HIS 116 -4.126 -10.321 23.893 891 HB2 HIS 116 HB2 HIS 116 -1.685 -9.839 25.592 892 HB3 HIS 116 HB1 HIS 116 -2.047 -11.399 24.861 893 HD1 HIS 116 HD1 HIS 116 -0.592 -8.108 24.137 894 HD2 HIS 116 HD2 HIS 116 -1.977 -11.378 21.990 895 HE1 HIS 116 HE1 HIS 116 0.286 -7.802 21.804 896 HE2 HIS 116 HE2 HIS 116 -0.407 -9.894 20.582 897 H HIS 117 H HIS 117 -4.458 -12.388 24.743 898 HA HIS 117 HA HIS 117 -5.939 -12.342 27.238 899 HB2 HIS 117 HB2 HIS 117 -5.581 -14.507 25.153 900 HB3 HIS 117 HB1 HIS 117 -6.574 -14.676 26.592 901 HD1 HIS 117 HD1 HIS 117 -8.966 -14.343 26.107 902 HD2 HIS 117 HD2 HIS 117 -6.558 -12.047 23.611 903 HE1 HIS 117 HE1 HIS 117 -10.545 -13.140 24.560 904 HE2 HIS 117 HE2 HIS 117 -9.060 -11.860 22.980 905 H HIS 118 H HIS 118 -4.194 -12.122 28.701 906 HA HIS 118 HA HIS 118 -2.139 -14.120 28.857 907 HB2 HIS 118 HB2 HIS 118 -1.901 -11.771 29.719 908 HB3 HIS 118 HB1 HIS 118 -3.024 -12.182 31.008 909 HD1 HIS 118 HD1 HIS 118 -1.885 -12.772 33.115 910 HD2 HIS 118 HD2 HIS 118 0.428 -13.721 29.792 911 HE1 HIS 118 HE1 HIS 118 0.285 -13.662 34.028 912 HE2 HIS 118 HE2 HIS 118 1.715 -14.100 32.004 913 H HIS 119 H HIS 119 -5.344 -13.712 30.033 914 HA HIS 119 HA HIS 119 -5.243 -16.420 31.137 915 HB2 HIS 119 HB2 HIS 119 -5.170 -14.873 33.060 916 HB3 HIS 119 HB1 HIS 119 -6.626 -14.077 32.476 917 HD1 HIS 119 HD1 HIS 119 -8.842 -15.113 33.087 918 HD2 HIS 119 HD2 HIS 119 -5.607 -17.537 34.060 919 HE1 HIS 119 HE1 HIS 119 -9.791 -16.981 34.480 920 HE2 HIS 119 HE2 HIS 119 -7.798 -18.367 35.160
Contact the webmaster for help, if required. Monday, July 8, 2024 9:13:06 AM GMT (wattos1)