NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
26212 | 2kga | 16200 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 9.378 -15.400 -1.305 2 H2 MET 1 HT2 MET 1 8.132 -15.985 -0.271 3 H3 MET 1 HT3 MET 1 9.683 -16.655 -0.252 4 HA MET 1 HA MET 1 9.281 -13.832 0.307 5 HB2 MET 1 HB2 MET 1 9.423 -14.312 2.709 6 HB3 MET 1 HB1 MET 1 8.011 -15.071 2.009 7 HG2 MET 1 HG2 MET 1 9.187 -17.213 1.992 8 HG3 MET 1 HG1 MET 1 10.595 -16.438 2.721 9 HE1 MET 1 HE1 MET 1 10.588 -15.362 5.154 10 HE2 MET 1 HE2 MET 1 9.172 -15.321 6.205 11 HE3 MET 1 HE3 MET 1 9.195 -14.374 4.717 12 H ALA 2 HN ALA 2 11.185 -13.465 2.171 13 HA ALA 2 HA ALA 2 13.334 -13.234 2.604 14 HB1 ALA 2 HB1 ALA 2 13.540 -15.700 2.578 15 HB2 ALA 2 HB2 ALA 2 15.004 -14.908 1.991 16 HB3 ALA 2 HB3 ALA 2 13.878 -15.641 0.848 17 H THR 3 HN THR 3 11.916 -12.515 -0.099 18 HA THR 3 HA THR 3 13.979 -10.805 -0.928 19 HB THR 3 HB THR 3 14.812 -12.723 -2.145 20 HG1 THR 3 HG1 THR 3 14.925 -11.810 -4.148 21 HG21 THR 3 HG21 THR 3 12.780 -14.107 -2.241 22 HG22 THR 3 HG22 THR 3 13.489 -13.932 -3.846 23 HG23 THR 3 HG23 THR 3 12.068 -12.987 -3.402 24 H LEU 4 HN LEU 4 12.812 -9.102 -0.835 25 HA LEU 4 HA LEU 4 11.476 -7.402 -1.472 26 HB2 LEU 4 HB2 LEU 4 10.553 -9.232 -3.666 27 HB3 LEU 4 HB1 LEU 4 10.258 -7.502 -3.592 28 HG LEU 4 HG LEU 4 12.898 -8.901 -3.993 29 HD11 LEU 4 HD11 LEU 4 11.300 -7.096 -5.789 30 HD12 LEU 4 HD12 LEU 4 11.514 -8.837 -5.967 31 HD13 LEU 4 HD13 LEU 4 12.895 -7.756 -6.148 32 HD21 LEU 4 HD21 LEU 4 13.241 -6.949 -2.575 33 HD22 LEU 4 HD22 LEU 4 12.357 -5.941 -3.722 34 HD23 LEU 4 HD23 LEU 4 13.896 -6.667 -4.188 35 H LEU 5 HN LEU 5 9.067 -6.907 -2.064 36 HA LEU 5 HA LEU 5 7.484 -8.117 0.075 37 HB2 LEU 5 HB2 LEU 5 7.755 -5.575 -0.387 38 HB3 LEU 5 HB1 LEU 5 6.774 -5.888 -1.799 39 HG LEU 5 HG LEU 5 4.974 -6.744 -0.296 40 HD11 LEU 5 HD11 LEU 5 6.704 -5.512 1.831 41 HD12 LEU 5 HD12 LEU 5 6.320 -7.226 1.654 42 HD13 LEU 5 HD13 LEU 5 5.047 -6.072 2.046 43 HD21 LEU 5 HD21 LEU 5 4.877 -4.524 -1.282 44 HD22 LEU 5 HD22 LEU 5 5.844 -3.879 0.041 45 HD23 LEU 5 HD23 LEU 5 4.224 -4.504 0.356 46 H THR 6 HN THR 6 5.831 -9.543 -0.495 47 HA THR 6 HA THR 6 5.434 -9.902 -3.343 48 HB THR 6 HB THR 6 4.307 -12.075 -2.568 49 HG1 THR 6 HG1 THR 6 4.861 -12.761 -0.502 50 HG21 THR 6 HG21 THR 6 7.271 -11.678 -2.074 51 HG22 THR 6 HG22 THR 6 6.525 -12.011 -3.638 52 HG23 THR 6 HG23 THR 6 6.478 -13.226 -2.361 53 H THR 7 HN THR 7 3.135 -10.809 -3.843 54 HA THR 7 HA THR 7 1.235 -8.857 -3.621 55 HB THR 7 HB THR 7 0.777 -11.837 -3.939 56 HG1 THR 7 HG1 THR 7 1.764 -11.700 -5.814 57 HG21 THR 7 HG21 THR 7 -1.060 -11.108 -5.421 58 HG22 THR 7 HG22 THR 7 -0.660 -9.424 -5.086 59 HG23 THR 7 HG23 THR 7 -1.268 -10.459 -3.793 60 H ASP 8 HN ASP 8 1.456 -11.951 -1.879 61 HA ASP 8 HA ASP 8 -0.736 -11.627 -0.160 62 HB2 ASP 8 HB2 ASP 8 1.747 -13.305 0.130 63 HB3 ASP 8 HB1 ASP 8 0.458 -13.311 1.322 64 H ASP 9 HN ASP 9 2.626 -10.713 0.231 65 HA ASP 9 HA ASP 9 2.465 -10.183 3.006 66 HB2 ASP 9 HB2 ASP 9 4.624 -10.427 1.550 67 HB3 ASP 9 HB1 ASP 9 4.354 -8.742 1.159 68 H LEU 10 HN LEU 10 2.297 -8.078 0.168 69 HA LEU 10 HA LEU 10 1.880 -5.673 1.585 70 HB2 LEU 10 HB2 LEU 10 2.660 -5.708 -0.725 71 HB3 LEU 10 HB1 LEU 10 1.149 -6.421 -1.248 72 HG LEU 10 HG LEU 10 -0.036 -4.350 -0.641 73 HD11 LEU 10 HD11 LEU 10 1.412 -3.585 1.156 74 HD12 LEU 10 HD12 LEU 10 1.207 -2.333 -0.070 75 HD13 LEU 10 HD13 LEU 10 2.703 -3.267 -0.004 76 HD21 LEU 10 HD21 LEU 10 0.780 -4.633 -2.917 77 HD22 LEU 10 HD22 LEU 10 2.334 -3.935 -2.460 78 HD23 LEU 10 HD23 LEU 10 0.878 -2.941 -2.430 79 H ARG 11 HN ARG 11 -0.316 -8.011 0.138 80 HA ARG 11 HA ARG 11 -2.736 -6.751 0.433 81 HB2 ARG 11 HB2 ARG 11 -2.622 -8.836 -0.745 82 HB3 ARG 11 HB1 ARG 11 -2.084 -9.686 0.693 83 HG2 ARG 11 HG2 ARG 11 -4.205 -9.570 1.694 84 HG3 ARG 11 HG1 ARG 11 -4.763 -8.343 0.560 85 HD2 ARG 11 HD2 ARG 11 -5.735 -10.525 0.083 86 HD3 ARG 11 HD1 ARG 11 -4.733 -9.953 -1.239 87 HE ARG 11 HE ARG 11 -3.160 -11.615 0.365 88 HH11 ARG 11 HH11 ARG 11 -6.202 -12.001 -1.333 89 HH12 ARG 11 HH12 ARG 11 -5.821 -13.468 -2.096 90 HH21 ARG 11 HH21 ARG 11 -2.598 -13.802 -0.628 91 HH22 ARG 11 HH22 ARG 11 -3.766 -14.523 -1.604 92 H ARG 12 HN ARG 12 -1.002 -8.601 2.849 93 HA ARG 12 HA ARG 12 -2.929 -8.627 4.890 94 HB2 ARG 12 HB2 ARG 12 0.048 -8.352 5.265 95 HB3 ARG 12 HB1 ARG 12 -1.102 -8.946 6.445 96 HG2 ARG 12 HG2 ARG 12 -1.499 -10.911 5.101 97 HG3 ARG 12 HG1 ARG 12 -0.416 -10.286 3.846 98 HD2 ARG 12 HD2 ARG 12 0.312 -11.003 6.675 99 HD3 ARG 12 HD1 ARG 12 0.769 -11.875 5.214 100 HE ARG 12 HE ARG 12 1.842 -9.521 4.685 101 HH11 ARG 12 HH11 ARG 12 1.856 -11.282 7.754 102 HH12 ARG 12 HH12 ARG 12 3.373 -10.702 8.258 103 HH21 ARG 12 HH21 ARG 12 3.969 -8.679 5.384 104 HH22 ARG 12 HH22 ARG 12 4.542 -9.126 6.921 105 H ALA 13 HN ALA 13 -0.292 -6.340 4.308 106 HA ALA 13 HA ALA 13 -0.824 -4.716 6.546 107 HB1 ALA 13 HB1 ALA 13 0.726 -3.130 5.542 108 HB2 ALA 13 HB2 ALA 13 0.644 -4.000 4.013 109 HB3 ALA 13 HB3 ALA 13 1.352 -4.776 5.431 110 H LEU 14 HN LEU 14 -1.878 -4.601 3.227 111 HA LEU 14 HA LEU 14 -3.142 -2.085 3.341 112 HB2 LEU 14 HB2 LEU 14 -3.634 -4.456 1.555 113 HB3 LEU 14 HB1 LEU 14 -4.404 -2.900 1.341 114 HG LEU 14 HG LEU 14 -1.448 -3.470 1.117 115 HD11 LEU 14 HD11 LEU 14 -2.756 -4.306 -0.748 116 HD12 LEU 14 HD12 LEU 14 -1.787 -2.912 -1.229 117 HD13 LEU 14 HD13 LEU 14 -3.517 -2.726 -0.934 118 HD21 LEU 14 HD21 LEU 14 -1.850 -1.254 2.035 119 HD22 LEU 14 HD22 LEU 14 -2.966 -0.895 0.716 120 HD23 LEU 14 HD23 LEU 14 -1.251 -1.150 0.378 121 H VAL 15 HN VAL 15 -4.438 -5.388 3.684 122 HA VAL 15 HA VAL 15 -7.040 -4.443 4.205 123 HB VAL 15 HB VAL 15 -6.604 -6.729 3.243 124 HG11 VAL 15 HG11 VAL 15 -4.769 -7.437 4.532 125 HG12 VAL 15 HG12 VAL 15 -6.083 -8.601 4.581 126 HG13 VAL 15 HG13 VAL 15 -5.778 -7.558 5.983 127 HG21 VAL 15 HG21 VAL 15 -8.368 -7.924 4.434 128 HG22 VAL 15 HG22 VAL 15 -8.808 -6.239 4.123 129 HG23 VAL 15 HG23 VAL 15 -8.287 -6.737 5.736 130 H GLU 16 HN GLU 16 -4.336 -4.663 6.190 131 HA GLU 16 HA GLU 16 -5.655 -4.739 8.697 132 HB2 GLU 16 HB2 GLU 16 -2.940 -3.683 7.914 133 HB3 GLU 16 HB1 GLU 16 -3.528 -3.652 9.567 134 HG2 GLU 16 HG2 GLU 16 -3.718 -6.068 9.565 135 HG3 GLU 16 HG1 GLU 16 -3.181 -6.118 7.889 136 H SER 17 HN SER 17 -4.860 -2.152 6.465 137 HA SER 17 HA SER 17 -5.725 -0.109 8.293 138 HB2 SER 17 HB2 SER 17 -5.320 0.160 5.305 139 HB3 SER 17 HB1 SER 17 -5.277 1.419 6.528 140 HG SER 17 HG SER 17 -3.262 0.742 5.785 141 H ALA 18 HN ALA 18 -6.906 -1.345 5.148 142 HA ALA 18 HA ALA 18 -9.380 0.050 5.529 143 HB1 ALA 18 HB1 ALA 18 -8.362 -0.053 3.302 144 HB2 ALA 18 HB2 ALA 18 -10.001 -0.711 3.330 145 HB3 ALA 18 HB3 ALA 18 -8.614 -1.799 3.285 146 H GLY 19 HN GLY 19 -10.247 -0.821 7.241 147 HA2 GLY 19 HA2 GLY 19 -11.663 -3.339 6.771 148 HA3 GLY 19 HA1 GLY 19 -10.896 -3.034 8.339 149 H GLU 20 HN GLU 20 -13.790 -3.238 7.391 150 HA GLU 20 HA GLU 20 -15.783 -2.368 8.002 151 HB2 GLU 20 HB2 GLU 20 -14.256 -0.064 9.300 152 HB3 GLU 20 HB1 GLU 20 -15.989 -0.324 9.437 153 HG2 GLU 20 HG2 GLU 20 -13.858 -2.195 10.461 154 HG3 GLU 20 HG1 GLU 20 -14.746 -1.027 11.438 155 H THR 21 HN THR 21 -13.934 -1.691 5.830 156 HA THR 21 HA THR 21 -15.759 -0.057 4.322 157 HB THR 21 HB THR 21 -12.746 0.469 4.228 158 HG1 THR 21 HG1 THR 21 -14.781 1.608 5.775 159 HG21 THR 21 HG21 THR 21 -13.407 2.454 2.925 160 HG22 THR 21 HG22 THR 21 -15.105 2.000 3.088 161 HG23 THR 21 HG23 THR 21 -14.002 0.976 2.166 162 H ASP 22 HN ASP 22 -16.003 -2.424 4.084 163 HA ASP 22 HA ASP 22 -13.957 -3.645 2.380 164 HB2 ASP 22 HB2 ASP 22 -15.981 -4.912 4.237 165 HB3 ASP 22 HB1 ASP 22 -14.996 -5.822 3.099 166 H GLY 23 HN GLY 23 -15.057 -5.447 1.003 167 HA2 GLY 23 HA2 GLY 23 -17.164 -5.956 -0.162 168 HA3 GLY 23 HA1 GLY 23 -17.431 -4.218 -0.237 169 H THR 24 HN THR 24 -14.336 -4.165 -0.678 170 HA THR 24 HA THR 24 -14.595 -4.291 -3.551 171 HB THR 24 HB THR 24 -12.310 -3.128 -3.468 172 HG1 THR 24 HG1 THR 24 -11.974 -2.132 -1.293 173 HG21 THR 24 HG21 THR 24 -14.632 -1.813 -2.038 174 HG22 THR 24 HG22 THR 24 -14.406 -1.885 -3.786 175 HG23 THR 24 HG23 THR 24 -13.276 -0.970 -2.787 176 H ASP 25 HN ASP 25 -11.958 -4.864 -4.357 177 HA ASP 25 HA ASP 25 -11.784 -7.678 -3.498 178 HB2 ASP 25 HB2 ASP 25 -12.177 -7.099 -5.970 179 HB3 ASP 25 HB1 ASP 25 -10.535 -6.468 -5.989 180 H LEU 26 HN LEU 26 -10.736 -5.565 -1.932 181 HA LEU 26 HA LEU 26 -7.966 -5.192 -2.269 182 HB2 LEU 26 HB2 LEU 26 -9.302 -3.815 -0.749 183 HB3 LEU 26 HB1 LEU 26 -9.576 -5.203 0.285 184 HG LEU 26 HG LEU 26 -7.153 -5.316 0.740 185 HD11 LEU 26 HD11 LEU 26 -7.052 -2.750 -0.832 186 HD12 LEU 26 HD12 LEU 26 -6.299 -4.285 -1.262 187 HD13 LEU 26 HD13 LEU 26 -5.739 -3.395 0.154 188 HD21 LEU 26 HD21 LEU 26 -8.458 -2.676 1.346 189 HD22 LEU 26 HD22 LEU 26 -7.078 -3.364 2.203 190 HD23 LEU 26 HD23 LEU 26 -8.648 -4.166 2.266 191 H SER 27 HN SER 27 -9.811 -7.668 -0.559 192 HA SER 27 HA SER 27 -7.353 -9.077 -0.072 193 HB2 SER 27 HB2 SER 27 -10.224 -9.859 0.485 194 HB3 SER 27 HB1 SER 27 -8.780 -10.696 1.068 195 HG SER 27 HG SER 27 -8.905 -9.440 2.684 196 H GLY 28 HN GLY 28 -6.695 -9.382 -2.152 197 HA2 GLY 28 HA2 GLY 28 -7.170 -11.699 -3.493 198 HA3 GLY 28 HA1 GLY 28 -8.413 -10.625 -4.122 199 H ASP 29 HN ASP 29 -7.887 -9.249 -5.777 200 HA ASP 29 HA ASP 29 -5.032 -8.908 -6.334 201 HB2 ASP 29 HB2 ASP 29 -5.875 -10.626 -7.874 202 HB3 ASP 29 HB1 ASP 29 -7.159 -9.542 -8.396 203 H PHE 30 HN PHE 30 -4.799 -6.953 -5.794 204 HA PHE 30 HA PHE 30 -6.741 -4.867 -6.562 205 HB2 PHE 30 HB2 PHE 30 -5.694 -3.658 -4.592 206 HB3 PHE 30 HB1 PHE 30 -6.645 -5.094 -4.212 207 HD1 PHE 30 HD2 PHE 30 -3.220 -3.771 -4.518 208 HD2 PHE 30 HD1 PHE 30 -5.616 -7.023 -3.204 209 HE1 PHE 30 HE2 PHE 30 -1.303 -4.680 -3.292 210 HE2 PHE 30 HE1 PHE 30 -3.700 -7.935 -1.964 211 HZ PHE 30 HZ PHE 30 -1.534 -6.926 -2.144 212 H LEU 31 HN LEU 31 -3.768 -5.961 -7.485 213 HA LEU 31 HA LEU 31 -1.987 -3.881 -7.196 214 HB2 LEU 31 HB2 LEU 31 -2.056 -6.008 -9.296 215 HB3 LEU 31 HB1 LEU 31 -0.730 -4.877 -9.111 216 HG LEU 31 HG LEU 31 -1.643 -6.883 -7.047 217 HD11 LEU 31 HD11 LEU 31 0.524 -7.936 -7.484 218 HD12 LEU 31 HD12 LEU 31 0.820 -6.757 -8.768 219 HD13 LEU 31 HD13 LEU 31 -0.503 -7.909 -8.919 220 HD21 LEU 31 HD21 LEU 31 -0.800 -4.844 -6.002 221 HD22 LEU 31 HD22 LEU 31 0.660 -4.930 -6.986 222 HD23 LEU 31 HD23 LEU 31 0.335 -6.177 -5.780 223 H ASP 32 HN ASP 32 -4.215 -4.268 -9.919 224 HA ASP 32 HA ASP 32 -3.128 -1.717 -10.924 225 HB2 ASP 32 HB2 ASP 32 -3.859 -2.199 -13.127 226 HB3 ASP 32 HB1 ASP 32 -3.171 -3.696 -12.531 227 H LEU 33 HN LEU 33 -5.428 -2.615 -8.955 228 HA LEU 33 HA LEU 33 -7.581 -0.998 -10.013 229 HB2 LEU 33 HB2 LEU 33 -7.258 -2.328 -7.314 230 HB3 LEU 33 HB1 LEU 33 -8.715 -1.552 -7.890 231 HG LEU 33 HG LEU 33 -7.479 -4.072 -9.001 232 HD11 LEU 33 HD11 LEU 33 -10.035 -3.609 -7.479 233 HD12 LEU 33 HD12 LEU 33 -8.580 -4.386 -6.856 234 HD13 LEU 33 HD13 LEU 33 -9.499 -5.146 -8.157 235 HD21 LEU 33 HD21 LEU 33 -9.991 -2.619 -9.828 236 HD22 LEU 33 HD22 LEU 33 -9.469 -4.197 -10.421 237 HD23 LEU 33 HD23 LEU 33 -8.513 -2.761 -10.778 238 H ARG 34 HN ARG 34 -8.276 0.978 -8.894 239 HA ARG 34 HA ARG 34 -5.873 2.424 -8.121 240 HB2 ARG 34 HB2 ARG 34 -8.676 3.521 -8.402 241 HB3 ARG 34 HB1 ARG 34 -7.162 4.403 -8.476 242 HG2 ARG 34 HG2 ARG 34 -8.171 2.446 -10.530 243 HG3 ARG 34 HG1 ARG 34 -8.189 4.200 -10.671 244 HD2 ARG 34 HD2 ARG 34 -5.784 4.269 -10.711 245 HD3 ARG 34 HD1 ARG 34 -5.691 2.543 -10.354 246 HE ARG 34 HE ARG 34 -7.058 2.416 -12.554 247 HH11 ARG 34 HH11 ARG 34 -4.185 4.475 -11.910 248 HH12 ARG 34 HH12 ARG 34 -3.755 4.554 -13.553 249 HH21 ARG 34 HH21 ARG 34 -6.389 2.579 -14.816 250 HH22 ARG 34 HH22 ARG 34 -4.999 3.452 -15.239 251 H PHE 35 HN PHE 35 -5.644 3.299 -6.066 252 HA PHE 35 HA PHE 35 -6.875 2.066 -3.916 253 HB2 PHE 35 HB2 PHE 35 -5.517 4.751 -4.061 254 HB3 PHE 35 HB1 PHE 35 -6.192 4.138 -2.553 255 HD1 PHE 35 HD1 PHE 35 -5.315 1.961 -1.640 256 HD2 PHE 35 HD2 PHE 35 -3.443 4.031 -4.842 257 HE1 PHE 35 HE1 PHE 35 -3.242 0.707 -1.241 258 HE2 PHE 35 HE2 PHE 35 -1.369 2.777 -4.455 259 HZ PHE 35 HZ PHE 35 -1.315 1.041 -2.616 260 H GLU 36 HN GLU 36 -7.874 4.904 -5.606 261 HA GLU 36 HA GLU 36 -10.004 5.810 -4.108 262 HB2 GLU 36 HB2 GLU 36 -9.941 5.596 -7.101 263 HB3 GLU 36 HB1 GLU 36 -10.864 6.738 -6.138 264 HG2 GLU 36 HG2 GLU 36 -8.789 7.757 -5.370 265 HG3 GLU 36 HG1 GLU 36 -7.873 6.613 -6.354 266 H ASP 37 HN ASP 37 -9.973 3.097 -6.488 267 HA ASP 37 HA ASP 37 -12.820 2.781 -6.051 268 HB2 ASP 37 HB2 ASP 37 -12.881 1.188 -7.901 269 HB3 ASP 37 HB1 ASP 37 -11.994 2.619 -8.401 270 H ILE 38 HN ILE 38 -10.007 1.535 -4.737 271 HA ILE 38 HA ILE 38 -11.477 -0.809 -3.867 272 HB ILE 38 HB ILE 38 -9.388 -1.655 -2.817 273 HG12 ILE 38 HG12 ILE 38 -8.105 0.745 -4.145 274 HG13 ILE 38 HG11 ILE 38 -8.263 0.491 -2.411 275 HG21 ILE 38 HG21 ILE 38 -10.003 -2.361 -5.031 276 HG22 ILE 38 HG22 ILE 38 -8.249 -2.205 -4.913 277 HG23 ILE 38 HG23 ILE 38 -9.195 -0.959 -5.730 278 HD11 ILE 38 HD11 ILE 38 -6.007 0.000 -3.178 279 HD12 ILE 38 HD12 ILE 38 -6.639 -1.205 -4.301 280 HD13 ILE 38 HD13 ILE 38 -6.789 -1.457 -2.563 281 H GLY 39 HN GLY 39 -11.644 2.097 -2.922 282 HA2 GLY 39 HA2 GLY 39 -12.896 2.747 -1.032 283 HA3 GLY 39 HA1 GLY 39 -12.407 1.268 -0.232 284 H TYR 40 HN TYR 40 -9.845 3.096 -1.641 285 HA TYR 40 HA TYR 40 -9.015 3.812 1.065 286 HB2 TYR 40 HB2 TYR 40 -7.494 3.418 -1.463 287 HB3 TYR 40 HB1 TYR 40 -6.817 4.353 -0.142 288 HD1 TYR 40 HD1 TYR 40 -8.319 1.073 -0.934 289 HD2 TYR 40 HD2 TYR 40 -5.670 3.269 1.541 290 HE1 TYR 40 HE1 TYR 40 -7.592 -1.011 0.112 291 HE2 TYR 40 HE2 TYR 40 -4.924 1.197 2.592 292 HH TYR 40 HH TYR 40 -5.588 -1.846 1.369 293 H ASP 41 HN ASP 41 -9.215 5.704 1.737 294 HA ASP 41 HA ASP 41 -9.245 7.962 -0.093 295 HB2 ASP 41 HB2 ASP 41 -9.558 7.794 2.916 296 HB3 ASP 41 HB1 ASP 41 -9.510 9.313 2.026 297 H SER 42 HN SER 42 -7.687 9.646 0.108 298 HA SER 42 HA SER 42 -5.080 8.819 0.066 299 HB2 SER 42 HB2 SER 42 -4.597 11.287 0.248 300 HB3 SER 42 HB1 SER 42 -5.748 10.823 -1.017 301 H LEU 43 HN LEU 43 -6.926 10.038 2.765 302 HA LEU 43 HA LEU 43 -4.830 10.457 4.599 303 HB2 LEU 43 HB2 LEU 43 -7.402 11.023 4.681 304 HB3 LEU 43 HB1 LEU 43 -7.533 9.462 5.444 305 HG LEU 43 HG LEU 43 -7.540 11.234 7.093 306 HD11 LEU 43 HD11 LEU 43 -4.973 9.683 7.236 307 HD12 LEU 43 HD12 LEU 43 -6.554 9.154 7.807 308 HD13 LEU 43 HD13 LEU 43 -5.753 10.523 8.577 309 HD21 LEU 43 HD21 LEU 43 -4.841 11.993 6.004 310 HD22 LEU 43 HD22 LEU 43 -5.590 12.670 7.451 311 HD23 LEU 43 HD23 LEU 43 -6.331 12.928 5.870 312 H ALA 44 HN ALA 44 -6.902 7.611 4.007 313 HA ALA 44 HA ALA 44 -5.659 5.955 5.945 314 HB1 ALA 44 HB1 ALA 44 -7.242 5.156 3.503 315 HB2 ALA 44 HB2 ALA 44 -7.916 5.520 5.092 316 HB3 ALA 44 HB3 ALA 44 -6.863 4.121 4.879 317 H LEU 45 HN LEU 45 -4.956 6.750 2.673 318 HA LEU 45 HA LEU 45 -3.164 4.642 2.131 319 HB2 LEU 45 HB2 LEU 45 -4.134 6.024 0.353 320 HB3 LEU 45 HB1 LEU 45 -3.262 7.419 0.949 321 HG LEU 45 HG LEU 45 -1.130 6.375 0.327 322 HD11 LEU 45 HD11 LEU 45 -1.752 4.036 0.632 323 HD12 LEU 45 HD12 LEU 45 -1.101 4.312 -0.986 324 HD13 LEU 45 HD13 LEU 45 -2.840 4.136 -0.754 325 HD21 LEU 45 HD21 LEU 45 -3.165 6.376 -1.892 326 HD22 LEU 45 HD22 LEU 45 -1.417 6.469 -2.100 327 HD23 LEU 45 HD23 LEU 45 -2.284 7.782 -1.297 328 H MET 46 HN MET 46 -2.670 7.913 3.474 329 HA MET 46 HA MET 46 0.146 7.612 3.690 330 HB2 MET 46 HB2 MET 46 0.239 9.633 4.929 331 HB3 MET 46 HB1 MET 46 -1.154 9.855 3.891 332 HG2 MET 46 HG2 MET 46 -2.649 9.377 5.732 333 HG3 MET 46 HG1 MET 46 -1.284 8.995 6.773 334 HE1 MET 46 HE1 MET 46 -3.485 10.902 7.780 335 HE2 MET 46 HE2 MET 46 -2.545 12.237 8.447 336 HE3 MET 46 HE3 MET 46 -2.007 10.573 8.684 337 H GLU 47 HN GLU 47 -2.524 6.756 5.772 338 HA GLU 47 HA GLU 47 -1.114 6.144 8.132 339 HB2 GLU 47 HB2 GLU 47 -3.604 4.861 7.013 340 HB3 GLU 47 HB1 GLU 47 -3.059 4.648 8.661 341 HG2 GLU 47 HG2 GLU 47 -3.262 7.190 8.861 342 HG3 GLU 47 HG1 GLU 47 -4.128 7.115 7.327 343 H THR 48 HN THR 48 -2.066 4.158 5.425 344 HA THR 48 HA THR 48 -0.903 1.751 6.236 345 HB THR 48 HB THR 48 -1.345 2.773 3.415 346 HG1 THR 48 HG1 THR 48 -3.306 2.855 4.471 347 HG21 THR 48 HG21 THR 48 -1.543 0.399 2.853 348 HG22 THR 48 HG22 THR 48 -1.206 -0.043 4.529 349 HG23 THR 48 HG23 THR 48 0.041 0.734 3.553 350 H ALA 49 HN ALA 49 0.315 4.327 4.073 351 HA ALA 49 HA ALA 49 2.764 3.225 3.404 352 HB1 ALA 49 HB1 ALA 49 1.773 5.171 2.290 353 HB2 ALA 49 HB2 ALA 49 3.436 5.481 2.792 354 HB3 ALA 49 HB3 ALA 49 2.095 6.149 3.723 355 H ALA 50 HN ALA 50 1.971 5.381 6.117 356 HA ALA 50 HA ALA 50 4.540 5.636 7.174 357 HB1 ALA 50 HB1 ALA 50 3.439 6.335 9.230 358 HB2 ALA 50 HB2 ALA 50 1.909 5.680 8.646 359 HB3 ALA 50 HB3 ALA 50 2.651 7.055 7.825 360 H ARG 51 HN ARG 51 2.005 3.256 7.845 361 HA ARG 51 HA ARG 51 3.388 1.892 9.890 362 HB2 ARG 51 HB2 ARG 51 0.964 1.628 9.498 363 HB3 ARG 51 HB1 ARG 51 1.306 0.802 7.984 364 HG2 ARG 51 HG2 ARG 51 2.451 -0.985 9.241 365 HG3 ARG 51 HG1 ARG 51 2.037 -0.164 10.747 366 HD2 ARG 51 HD2 ARG 51 0.104 -1.268 8.712 367 HD3 ARG 51 HD1 ARG 51 0.469 -1.961 10.293 368 HE ARG 51 HE ARG 51 -0.422 0.152 11.222 369 HH11 ARG 51 HH11 ARG 51 -1.525 -1.143 8.111 370 HH12 ARG 51 HH12 ARG 51 -2.982 -0.282 8.065 371 HH21 ARG 51 HH21 ARG 51 -2.514 1.290 11.238 372 HH22 ARG 51 HH22 ARG 51 -3.602 1.126 9.952 373 H LEU 52 HN LEU 52 3.356 1.569 6.412 374 HA LEU 52 HA LEU 52 4.827 -0.823 6.193 375 HB2 LEU 52 HB2 LEU 52 4.679 1.520 4.302 376 HB3 LEU 52 HB1 LEU 52 5.334 -0.056 3.899 377 HG LEU 52 HG LEU 52 2.473 0.428 4.712 378 HD11 LEU 52 HD11 LEU 52 2.964 1.540 2.620 379 HD12 LEU 52 HD12 LEU 52 1.946 0.123 2.359 380 HD13 LEU 52 HD13 LEU 52 3.666 0.056 1.978 381 HD21 LEU 52 HD21 LEU 52 3.841 -1.967 3.500 382 HD22 LEU 52 HD22 LEU 52 2.114 -1.817 3.826 383 HD23 LEU 52 HD23 LEU 52 3.267 -1.830 5.161 384 H GLU 53 HN GLU 53 5.825 2.575 6.220 385 HA GLU 53 HA GLU 53 8.581 2.184 5.938 386 HB2 GLU 53 HB2 GLU 53 7.171 4.366 7.489 387 HB3 GLU 53 HB1 GLU 53 8.857 4.395 6.997 388 HG2 GLU 53 HG2 GLU 53 8.150 4.340 4.654 389 HG3 GLU 53 HG1 GLU 53 6.468 4.383 5.172 390 H SER 54 HN SER 54 6.581 2.408 8.824 391 HA SER 54 HA SER 54 8.595 2.089 10.717 392 HB2 SER 54 HB2 SER 54 5.700 1.262 10.894 393 HB3 SER 54 HB1 SER 54 6.790 1.550 12.251 394 HG SER 54 HG SER 54 6.914 3.712 10.764 395 H ARG 55 HN ARG 55 6.358 -0.350 9.403 396 HA ARG 55 HA ARG 55 7.366 -2.481 10.928 397 HB2 ARG 55 HB2 ARG 55 5.102 -2.446 10.052 398 HB3 ARG 55 HB1 ARG 55 5.720 -2.531 8.410 399 HG2 ARG 55 HG2 ARG 55 6.688 -4.732 8.913 400 HG3 ARG 55 HG1 ARG 55 5.996 -4.647 10.531 401 HD2 ARG 55 HD2 ARG 55 4.435 -4.562 7.956 402 HD3 ARG 55 HD1 ARG 55 4.643 -5.984 8.973 403 HE ARG 55 HE ARG 55 3.609 -3.919 10.534 404 HH11 ARG 55 HH11 ARG 55 2.547 -5.913 7.746 405 HH12 ARG 55 HH12 ARG 55 0.912 -5.939 8.295 406 HH21 ARG 55 HH21 ARG 55 1.337 -4.067 11.210 407 HH22 ARG 55 HH22 ARG 55 0.244 -4.940 10.248 408 H TYR 56 HN TYR 56 7.947 -1.622 7.498 409 HA TYR 56 HA TYR 56 9.642 -3.976 7.361 410 HB2 TYR 56 HB2 TYR 56 8.701 -2.179 5.120 411 HB3 TYR 56 HB1 TYR 56 9.640 -3.659 4.918 412 HD1 TYR 56 HD2 TYR 56 8.455 -5.657 6.515 413 HD2 TYR 56 HD1 TYR 56 6.506 -2.456 4.505 414 HE1 TYR 56 HE2 TYR 56 6.383 -6.980 6.418 415 HE2 TYR 56 HE1 TYR 56 4.437 -3.764 4.412 416 HH TYR 56 HH TYR 56 3.682 -6.105 6.183 417 H GLY 57 HN GLY 57 10.107 -0.904 8.224 418 HA2 GLY 57 HA2 GLY 57 12.031 0.322 8.560 419 HA3 GLY 57 HA1 GLY 57 12.935 -1.110 8.086 420 H VAL 58 HN VAL 58 10.621 0.813 6.299 421 HA VAL 58 HA VAL 58 12.702 1.275 4.304 422 HB VAL 58 HB VAL 58 10.991 1.434 2.560 423 HG11 VAL 58 HG11 VAL 58 10.728 -1.095 4.160 424 HG12 VAL 58 HG12 VAL 58 11.958 -0.744 2.941 425 HG13 VAL 58 HG13 VAL 58 10.262 -0.898 2.471 426 HG21 VAL 58 HG21 VAL 58 8.997 0.718 4.712 427 HG22 VAL 58 HG22 VAL 58 8.648 0.833 2.986 428 HG23 VAL 58 HG23 VAL 58 9.123 2.272 3.889 429 H SER 59 HN SER 59 12.145 3.313 2.923 430 HA SER 59 HA SER 59 10.923 5.363 4.592 431 HB2 SER 59 HB2 SER 59 13.559 5.623 3.115 432 HB3 SER 59 HB1 SER 59 12.800 6.842 4.143 433 HG SER 59 HG SER 59 12.945 4.588 5.478 434 H ILE 60 HN ILE 60 9.290 6.156 3.377 435 HA ILE 60 HA ILE 60 9.405 5.716 0.519 436 HB ILE 60 HB ILE 60 7.106 6.686 2.257 437 HG12 ILE 60 HG12 ILE 60 7.639 3.977 1.009 438 HG13 ILE 60 HG11 ILE 60 7.766 4.358 2.722 439 HG21 ILE 60 HG21 ILE 60 6.907 7.494 -0.048 440 HG22 ILE 60 HG22 ILE 60 5.691 6.260 0.284 441 HG23 ILE 60 HG23 ILE 60 7.125 5.853 -0.652 442 HD11 ILE 60 HD11 ILE 60 5.249 4.405 1.070 443 HD12 ILE 60 HD12 ILE 60 5.358 4.801 2.783 444 HD13 ILE 60 HD13 ILE 60 5.716 3.163 2.230 445 HA PRO 61 HA PRO 61 10.661 9.951 -0.078 446 HB2 PRO 61 HB2 PRO 61 10.119 9.264 -2.907 447 HB3 PRO 61 HB1 PRO 61 11.617 9.841 -2.167 448 HG2 PRO 61 HG2 PRO 61 11.375 7.317 -2.994 449 HG3 PRO 61 HG1 PRO 61 12.261 7.715 -1.508 450 HD2 PRO 61 HD2 PRO 61 9.480 6.660 -1.826 451 HD3 PRO 61 HD1 PRO 61 10.748 6.179 -0.676 452 H ASP 62 HN ASP 62 9.537 11.792 -0.438 453 HA ASP 62 HA ASP 62 6.758 11.801 -0.092 454 HB2 ASP 62 HB2 ASP 62 8.211 13.642 0.601 455 HB3 ASP 62 HB1 ASP 62 8.549 14.023 -1.081 456 H ASP 63 HN ASP 63 8.694 12.112 -2.976 457 HA ASP 63 HA ASP 63 6.563 12.919 -4.702 458 HB2 ASP 63 HB2 ASP 63 9.279 11.738 -5.299 459 HB3 ASP 63 HB1 ASP 63 8.150 12.246 -6.546 460 H VAL 64 HN VAL 64 7.796 9.898 -3.599 461 HA VAL 64 HA VAL 64 6.439 8.428 -5.634 462 HB VAL 64 HB VAL 64 7.752 7.354 -3.123 463 HG11 VAL 64 HG11 VAL 64 6.870 5.952 -5.651 464 HG12 VAL 64 HG12 VAL 64 6.098 5.818 -4.072 465 HG13 VAL 64 HG13 VAL 64 7.736 5.204 -4.306 466 HG21 VAL 64 HG21 VAL 64 8.789 7.569 -5.945 467 HG22 VAL 64 HG22 VAL 64 9.612 6.775 -4.603 468 HG23 VAL 64 HG23 VAL 64 9.338 8.516 -4.561 469 H ALA 65 HN ALA 65 5.931 9.295 -2.287 470 HA ALA 65 HA ALA 65 3.775 7.632 -1.698 471 HB1 ALA 65 HB1 ALA 65 4.318 10.400 -0.627 472 HB2 ALA 65 HB2 ALA 65 5.022 8.904 -0.015 473 HB3 ALA 65 HB3 ALA 65 3.285 9.181 0.119 474 H GLY 66 HN GLY 66 3.880 10.550 -3.582 475 HA2 GLY 66 HA2 GLY 66 0.953 10.677 -3.618 476 HA3 GLY 66 HA1 GLY 66 2.042 11.929 -4.197 477 H ARG 67 HN ARG 67 3.203 9.037 -5.350 478 HA ARG 67 HA ARG 67 1.802 9.486 -7.914 479 HB2 ARG 67 HB2 ARG 67 3.644 8.409 -9.062 480 HB3 ARG 67 HB1 ARG 67 4.290 9.655 -8.004 481 HG2 ARG 67 HG2 ARG 67 4.908 7.951 -6.368 482 HG3 ARG 67 HG1 ARG 67 4.217 6.715 -7.390 483 HD2 ARG 67 HD2 ARG 67 6.434 8.510 -8.349 484 HD3 ARG 67 HD1 ARG 67 6.735 6.986 -7.519 485 HE ARG 67 HE ARG 67 5.353 5.968 -9.377 486 HH11 ARG 67 HH11 ARG 67 7.150 8.983 -9.943 487 HH12 ARG 67 HH12 ARG 67 7.494 8.633 -11.550 488 HH21 ARG 67 HH21 ARG 67 5.799 5.479 -11.526 489 HH22 ARG 67 HH22 ARG 67 6.708 6.551 -12.513 490 H VAL 68 HN VAL 68 1.773 7.408 -5.282 491 HA VAL 68 HA VAL 68 1.296 5.127 -6.860 492 HB VAL 68 HB VAL 68 2.707 4.638 -5.059 493 HG11 VAL 68 HG11 VAL 68 0.832 6.023 -3.152 494 HG12 VAL 68 HG12 VAL 68 2.403 6.619 -3.727 495 HG13 VAL 68 HG13 VAL 68 2.323 5.147 -2.764 496 HG21 VAL 68 HG21 VAL 68 1.445 3.198 -3.592 497 HG22 VAL 68 HG22 VAL 68 1.016 3.013 -5.321 498 HG23 VAL 68 HG23 VAL 68 -0.029 3.948 -4.222 499 H ASP 69 HN ASP 69 -0.510 5.797 -7.898 500 HA ASP 69 HA ASP 69 -3.003 5.995 -6.408 501 HB2 ASP 69 HB2 ASP 69 -4.042 6.334 -8.628 502 HB3 ASP 69 HB1 ASP 69 -2.703 7.447 -8.376 503 H THR 70 HN THR 70 -1.066 3.708 -8.049 504 HA THR 70 HA THR 70 -3.102 1.663 -7.637 505 HB THR 70 HB THR 70 -1.670 0.364 -9.358 506 HG1 THR 70 HG1 THR 70 -1.042 2.698 -10.648 507 HG21 THR 70 HG21 THR 70 -3.937 1.133 -9.847 508 HG22 THR 70 HG22 THR 70 -2.907 1.322 -11.263 509 HG23 THR 70 HG23 THR 70 -3.318 2.727 -10.273 510 HA PRO 71 HA PRO 71 -0.422 -0.009 -4.501 511 HB2 PRO 71 HB2 PRO 71 -1.337 -2.622 -5.620 512 HB3 PRO 71 HB1 PRO 71 -1.322 -2.064 -3.941 513 HG2 PRO 71 HG2 PRO 71 -3.599 -2.106 -5.259 514 HG3 PRO 71 HG1 PRO 71 -3.197 -0.704 -4.245 515 HD2 PRO 71 HD2 PRO 71 -3.051 -0.993 -7.221 516 HD3 PRO 71 HD1 PRO 71 -3.626 0.380 -6.249 517 H ARG 72 HN ARG 72 -0.242 -1.106 -7.800 518 HA ARG 72 HA ARG 72 2.097 -2.577 -7.871 519 HB2 ARG 72 HB2 ARG 72 0.647 -2.175 -9.821 520 HB3 ARG 72 HB1 ARG 72 1.182 -0.502 -9.870 521 HG2 ARG 72 HG2 ARG 72 3.482 -1.284 -10.309 522 HG3 ARG 72 HG1 ARG 72 2.879 -2.942 -10.345 523 HD2 ARG 72 HD2 ARG 72 2.035 -0.694 -12.168 524 HD3 ARG 72 HD1 ARG 72 3.119 -2.012 -12.589 525 HE ARG 72 HE ARG 72 1.203 -3.540 -12.195 526 HH11 ARG 72 HH11 ARG 72 0.394 -0.118 -12.878 527 HH12 ARG 72 HH12 ARG 72 -1.032 -0.540 -13.730 528 HH21 ARG 72 HH21 ARG 72 -0.733 -4.021 -13.412 529 HH22 ARG 72 HH22 ARG 72 -1.635 -2.731 -14.073 530 H GLU 73 HN GLU 73 1.730 0.969 -7.889 531 HA GLU 73 HA GLU 73 4.477 1.643 -8.177 532 HB2 GLU 73 HB2 GLU 73 2.225 3.195 -6.889 533 HB3 GLU 73 HB1 GLU 73 3.796 3.860 -7.294 534 HG2 GLU 73 HG2 GLU 73 1.823 2.752 -9.274 535 HG3 GLU 73 HG1 GLU 73 2.008 4.457 -8.876 536 H LEU 74 HN LEU 74 2.408 1.019 -5.462 537 HA LEU 74 HA LEU 74 4.133 1.901 -3.387 538 HB2 LEU 74 HB2 LEU 74 1.554 1.418 -3.361 539 HB3 LEU 74 HB1 LEU 74 2.025 -0.235 -3.132 540 HG LEU 74 HG LEU 74 1.348 0.930 -1.045 541 HD11 LEU 74 HD11 LEU 74 2.741 -1.038 -0.919 542 HD12 LEU 74 HD12 LEU 74 3.179 0.120 0.338 543 HD13 LEU 74 HD13 LEU 74 4.186 -0.045 -1.100 544 HD21 LEU 74 HD21 LEU 74 2.907 2.528 -0.022 545 HD22 LEU 74 HD22 LEU 74 2.246 3.133 -1.542 546 HD23 LEU 74 HD23 LEU 74 3.885 2.500 -1.489 547 H LEU 75 HN LEU 75 3.317 -1.245 -4.742 548 HA LEU 75 HA LEU 75 4.947 -2.936 -3.283 549 HB2 LEU 75 HB2 LEU 75 3.190 -3.621 -4.877 550 HB3 LEU 75 HB1 LEU 75 4.190 -3.079 -6.204 551 HG LEU 75 HG LEU 75 5.856 -4.827 -5.590 552 HD11 LEU 75 HD11 LEU 75 5.152 -6.628 -4.094 553 HD12 LEU 75 HD12 LEU 75 3.700 -5.716 -3.687 554 HD13 LEU 75 HD13 LEU 75 5.289 -5.087 -3.253 555 HD21 LEU 75 HD21 LEU 75 4.228 -5.199 -7.362 556 HD22 LEU 75 HD22 LEU 75 3.058 -5.788 -6.181 557 HD23 LEU 75 HD23 LEU 75 4.541 -6.694 -6.479 558 H ASP 76 HN ASP 76 5.583 -1.277 -6.344 559 HA ASP 76 HA ASP 76 8.218 -2.080 -6.732 560 HB2 ASP 76 HB2 ASP 76 6.989 -1.009 -8.509 561 HB3 ASP 76 HB1 ASP 76 6.871 0.483 -7.579 562 H LEU 77 HN LEU 77 6.967 0.754 -4.922 563 HA LEU 77 HA LEU 77 9.512 1.825 -4.424 564 HB2 LEU 77 HB2 LEU 77 7.373 3.082 -4.190 565 HB3 LEU 77 HB1 LEU 77 7.001 2.156 -2.760 566 HG LEU 77 HG LEU 77 7.843 4.508 -2.397 567 HD11 LEU 77 HD11 LEU 77 9.271 3.974 -0.487 568 HD12 LEU 77 HD12 LEU 77 9.435 2.317 -1.077 569 HD13 LEU 77 HD13 LEU 77 7.861 2.915 -0.556 570 HD21 LEU 77 HD21 LEU 77 10.459 3.287 -3.250 571 HD22 LEU 77 HD22 LEU 77 10.265 4.876 -2.508 572 HD23 LEU 77 HD23 LEU 77 9.565 4.552 -4.093 573 H ILE 78 HN ILE 78 7.511 -0.420 -2.577 574 HA ILE 78 HA ILE 78 9.258 -0.490 -0.357 575 HB ILE 78 HB ILE 78 7.304 -2.637 -1.254 576 HG12 ILE 78 HG12 ILE 78 6.173 -0.502 -0.868 577 HG13 ILE 78 HG11 ILE 78 5.762 -1.652 0.396 578 HG21 ILE 78 HG21 ILE 78 8.605 -2.198 1.439 579 HG22 ILE 78 HG22 ILE 78 8.953 -3.513 0.319 580 HG23 ILE 78 HG23 ILE 78 7.367 -3.404 1.081 581 HD11 ILE 78 HD11 ILE 78 7.337 -0.536 1.907 582 HD12 ILE 78 HD12 ILE 78 6.108 0.575 1.300 583 HD13 ILE 78 HD13 ILE 78 7.739 0.613 0.630 584 H ASN 79 HN ASN 79 8.969 -2.526 -3.242 585 HA ASN 79 HA ASN 79 11.024 -4.314 -2.531 586 HB2 ASN 79 HB2 ASN 79 10.102 -3.523 -5.307 587 HB3 ASN 79 HB1 ASN 79 11.208 -4.847 -4.975 588 HD21 ASN 79 HD21 ASN 79 8.783 -5.110 -6.296 589 HD22 ASN 79 HD22 ASN 79 7.722 -6.076 -5.325 590 H GLY 80 HN GLY 80 11.108 -1.226 -4.186 591 HA2 GLY 80 HA2 GLY 80 13.860 -1.313 -4.878 592 HA3 GLY 80 HA1 GLY 80 12.870 0.140 -4.758 593 H ALA 81 HN ALA 81 12.077 -0.118 -2.113 594 HA ALA 81 HA ALA 81 14.294 1.039 -0.802 595 HB1 ALA 81 HB1 ALA 81 11.982 1.706 -0.351 596 HB2 ALA 81 HB2 ALA 81 12.816 1.208 1.120 597 HB3 ALA 81 HB3 ALA 81 11.664 0.118 0.348 598 H LEU 82 HN LEU 82 12.721 -2.126 -0.573 599 HA LEU 82 HA LEU 82 14.249 -3.121 1.578 600 HB2 LEU 82 HB2 LEU 82 12.982 -4.634 -0.710 601 HB3 LEU 82 HB1 LEU 82 13.658 -5.386 0.719 602 HG LEU 82 HG LEU 82 11.268 -3.550 0.639 603 HD11 LEU 82 HD11 LEU 82 11.489 -6.509 1.140 604 HD12 LEU 82 HD12 LEU 82 10.821 -5.739 -0.300 605 HD13 LEU 82 HD13 LEU 82 10.013 -5.548 1.258 606 HD21 LEU 82 HD21 LEU 82 12.514 -3.285 2.710 607 HD22 LEU 82 HD22 LEU 82 12.510 -5.037 2.947 608 HD23 LEU 82 HD23 LEU 82 10.992 -4.134 2.996 609 H ALA 83 HN ALA 83 14.744 -3.267 -1.905 610 HA ALA 83 HA ALA 83 17.115 -4.790 -1.854 611 HB1 ALA 83 HB1 ALA 83 17.445 -4.018 -4.145 612 HB2 ALA 83 HB2 ALA 83 16.216 -2.775 -3.911 613 HB3 ALA 83 HB3 ALA 83 15.764 -4.479 -3.877 614 H GLU 84 HN GLU 84 16.489 -1.374 -1.559 615 HA GLU 84 HA GLU 84 19.215 -0.559 -1.751 616 HB2 GLU 84 HB2 GLU 84 17.178 0.840 -2.284 617 HB3 GLU 84 HB1 GLU 84 16.895 0.958 -0.554 618 HG2 GLU 84 HG2 GLU 84 18.005 2.934 -1.436 619 HG3 GLU 84 HG1 GLU 84 19.026 2.084 -0.271 620 H ALA 85 HN ALA 85 16.994 -1.356 0.842 621 HA ALA 85 HA ALA 85 18.678 -0.452 2.944 622 HB1 ALA 85 HB1 ALA 85 16.247 -0.575 3.192 623 HB2 ALA 85 HB2 ALA 85 17.080 -1.526 4.422 624 HB3 ALA 85 HB3 ALA 85 16.324 -2.332 3.045 625 H ALA 86 HN ALA 86 20.108 -1.510 4.086 626 HA ALA 86 HA ALA 86 20.447 -4.378 3.745 627 HB1 ALA 86 HB1 ALA 86 22.075 -3.318 2.237 628 HB2 ALA 86 HB2 ALA 86 22.892 -4.068 3.610 629 HB3 ALA 86 HB3 ALA 86 22.664 -2.323 3.571 630 H28 SXH 87 H28B SXH 87 -4.660 12.443 2.454 631 H28A SXH 87 H28A SXH 87 -5.427 13.983 2.850 632 H30 SXH 87 H30C SXH 87 -2.829 12.584 3.889 633 H30A SXH 87 H30A SXH 87 -3.618 13.994 4.597 634 H30B SXH 87 H30B SXH 87 -1.924 14.083 4.109 635 H31 SXH 87 H31A SXH 87 -2.218 12.540 1.521 636 H31A SXH 87 H31C SXH 87 -2.632 13.888 0.462 637 H31B SXH 87 H31B SXH 87 -1.333 14.060 1.642 638 H32 SXH 87 H32A SXH 87 -3.969 16.090 3.258 639 HO33 SXH 87 H33A SXH 87 -3.259 16.655 0.792 640 HN36 SXH 87 H36A SXH 87 -1.907 16.083 4.405 641 H37 SXH 87 H37A SXH 87 0.606 16.671 3.133 642 H37A SXH 87 H37B SXH 87 -0.237 18.136 3.567 643 H38 SXH 87 H38A SXH 87 1.254 17.677 5.294 644 H38A SXH 87 H38B SXH 87 -0.387 17.391 5.922 645 HN41 SXH 87 H41A SXH 87 0.713 14.978 3.922 646 H42 SXH 87 H42A SXH 87 2.529 13.432 5.122 647 H42A SXH 87 H42B SXH 87 1.077 13.067 6.059 648 H43 SXH 87 H43A SXH 87 -0.003 12.248 4.072 649 H43A SXH 87 H43B SXH 87 1.598 11.473 4.134 650 H2 SXH 87 H2A SXH 87 1.935 10.768 -0.310 651 H2A SXH 87 H2B SXH 87 2.122 12.527 -0.211 652 H3 SXH 87 H3A SXH 87 0.283 11.947 -1.673 653 H3A SXH 87 H3B SXH 87 -0.368 12.680 -0.203 654 H4 SXH 87 H4B SXH 87 -0.184 9.704 -0.708 655 H4A SXH 87 H4A SXH 87 -0.920 10.485 0.689 656 H5 SXH 87 H5A SXH 87 -2.560 11.563 -0.870 657 H5A SXH 87 H5B SXH 87 -2.661 9.794 -0.842 658 H6 SXH 87 H6C SXH 87 -2.761 10.660 -3.131 659 H6A SXH 87 H6A SXH 87 -1.304 9.700 -2.875 660 H6B SXH 87 H6B SXH 87 -1.204 11.460 -2.899 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 16.988 -15.862 -0.320 2 H2 MET 1 HT2 MET 1 17.856 -14.632 -1.046 3 H3 MET 1 HT3 MET 1 17.108 -15.812 -2.011 4 HA MET 1 HA MET 1 15.874 -13.746 -2.016 5 HB2 MET 1 HB2 MET 1 14.549 -15.918 -0.367 6 HB3 MET 1 HB1 MET 1 13.691 -14.560 -1.078 7 HG2 MET 1 HG2 MET 1 14.333 -15.317 -3.304 8 HG3 MET 1 HG1 MET 1 15.208 -16.669 -2.596 9 HE1 MET 1 HE1 MET 1 12.126 -18.392 -4.288 10 HE2 MET 1 HE2 MET 1 13.886 -18.337 -4.174 11 HE3 MET 1 HE3 MET 1 13.004 -16.982 -4.877 12 H ALA 2 HN ALA 2 15.284 -11.952 -1.006 13 HA ALA 2 HA ALA 2 16.186 -11.689 1.782 14 HB1 ALA 2 HB1 ALA 2 16.439 -9.303 1.283 15 HB2 ALA 2 HB2 ALA 2 15.848 -9.579 -0.356 16 HB3 ALA 2 HB3 ALA 2 17.377 -10.288 0.162 17 H THR 3 HN THR 3 14.934 -9.750 2.867 18 HA THR 3 HA THR 3 12.195 -10.537 2.940 19 HB THR 3 HB THR 3 13.565 -8.200 4.216 20 HG1 THR 3 HG1 THR 3 13.845 -9.549 5.962 21 HG21 THR 3 HG21 THR 3 10.989 -9.624 4.920 22 HG22 THR 3 HG22 THR 3 11.125 -8.001 4.238 23 HG23 THR 3 HG23 THR 3 11.718 -8.324 5.864 24 H LEU 4 HN LEU 4 10.998 -9.993 1.227 25 HA LEU 4 HA LEU 4 11.033 -7.208 0.317 26 HB2 LEU 4 HB2 LEU 4 10.244 -9.705 -1.191 27 HB3 LEU 4 HB1 LEU 4 10.117 -8.069 -1.803 28 HG LEU 4 HG LEU 4 12.695 -9.489 -1.128 29 HD11 LEU 4 HD11 LEU 4 11.600 -10.435 -3.073 30 HD12 LEU 4 HD12 LEU 4 13.037 -9.526 -3.543 31 HD13 LEU 4 HD13 LEU 4 11.434 -8.827 -3.779 32 HD21 LEU 4 HD21 LEU 4 12.858 -7.065 -0.816 33 HD22 LEU 4 HD22 LEU 4 12.201 -6.805 -2.431 34 HD23 LEU 4 HD23 LEU 4 13.772 -7.581 -2.234 35 H LEU 5 HN LEU 5 8.935 -6.381 -0.244 36 HA LEU 5 HA LEU 5 6.798 -7.479 1.400 37 HB2 LEU 5 HB2 LEU 5 7.415 -4.984 1.253 38 HB3 LEU 5 HB1 LEU 5 6.858 -5.020 -0.397 39 HG LEU 5 HG LEU 5 5.055 -5.568 1.980 40 HD11 LEU 5 HD11 LEU 5 4.256 -3.287 1.694 41 HD12 LEU 5 HD12 LEU 5 5.479 -3.014 0.450 42 HD13 LEU 5 HD13 LEU 5 5.968 -3.317 2.115 43 HD21 LEU 5 HD21 LEU 5 4.237 -6.410 -0.156 44 HD22 LEU 5 HD22 LEU 5 4.448 -4.806 -0.862 45 HD23 LEU 5 HD23 LEU 5 3.267 -5.057 0.426 46 H THR 6 HN THR 6 5.422 -8.893 0.422 47 HA THR 6 HA THR 6 5.637 -9.106 -2.479 48 HB THR 6 HB THR 6 4.677 -11.347 -2.192 49 HG1 THR 6 HG1 THR 6 4.842 -10.811 0.618 50 HG21 THR 6 HG21 THR 6 6.581 -12.376 -1.007 51 HG22 THR 6 HG22 THR 6 7.009 -10.802 -0.337 52 HG23 THR 6 HG23 THR 6 7.122 -11.081 -2.074 53 H THR 7 HN THR 7 3.488 -10.094 -3.428 54 HA THR 7 HA THR 7 1.408 -8.268 -3.285 55 HB THR 7 HB THR 7 1.041 -11.193 -3.964 56 HG1 THR 7 HG1 THR 7 1.773 -9.842 -6.156 57 HG21 THR 7 HG21 THR 7 -0.080 -8.641 -5.165 58 HG22 THR 7 HG22 THR 7 -0.951 -9.731 -4.085 59 HG23 THR 7 HG23 THR 7 -0.462 -10.282 -5.689 60 H ASP 8 HN ASP 8 2.187 -11.053 -1.325 61 HA ASP 8 HA ASP 8 -0.319 -11.332 -0.011 62 HB2 ASP 8 HB2 ASP 8 1.115 -13.235 -0.078 63 HB3 ASP 8 HB1 ASP 8 2.449 -12.333 0.638 64 H ASP 9 HN ASP 9 2.772 -9.839 0.842 65 HA ASP 9 HA ASP 9 2.038 -8.952 3.434 66 HB2 ASP 9 HB2 ASP 9 4.032 -7.701 1.523 67 HB3 ASP 9 HB1 ASP 9 3.866 -7.276 3.212 68 H LEU 10 HN LEU 10 1.840 -7.490 0.262 69 HA LEU 10 HA LEU 10 0.880 -4.967 1.083 70 HB2 LEU 10 HB2 LEU 10 1.861 -5.540 -1.162 71 HB3 LEU 10 HB1 LEU 10 0.371 -6.370 -1.542 72 HG LEU 10 HG LEU 10 -0.851 -4.227 -1.352 73 HD11 LEU 10 HD11 LEU 10 1.900 -3.050 -1.027 74 HD12 LEU 10 HD12 LEU 10 0.630 -3.079 0.199 75 HD13 LEU 10 HD13 LEU 10 0.412 -2.139 -1.281 76 HD21 LEU 10 HD21 LEU 10 -0.059 -5.015 -3.516 77 HD22 LEU 10 HD22 LEU 10 1.489 -4.213 -3.251 78 HD23 LEU 10 HD23 LEU 10 0.017 -3.256 -3.423 79 H ARG 11 HN ARG 11 -0.754 -7.911 -0.042 80 HA ARG 11 HA ARG 11 -3.407 -7.161 0.130 81 HB2 ARG 11 HB2 ARG 11 -2.745 -9.332 -0.766 82 HB3 ARG 11 HB1 ARG 11 -2.144 -9.835 0.806 83 HG2 ARG 11 HG2 ARG 11 -4.411 -9.814 1.695 84 HG3 ARG 11 HG1 ARG 11 -5.027 -9.249 0.145 85 HD2 ARG 11 HD2 ARG 11 -5.373 -11.661 0.429 86 HD3 ARG 11 HD1 ARG 11 -4.300 -11.318 -0.920 87 HE ARG 11 HE ARG 11 -2.565 -11.756 1.067 88 HH11 ARG 11 HH11 ARG 11 -5.446 -13.697 0.144 89 HH12 ARG 11 HH12 ARG 11 -4.674 -15.168 0.494 90 HH21 ARG 11 HH21 ARG 11 -1.589 -13.831 1.547 91 HH22 ARG 11 HH22 ARG 11 -2.478 -15.258 1.313 92 H ARG 12 HN ARG 12 -1.479 -8.689 2.638 93 HA ARG 12 HA ARG 12 -3.375 -8.622 4.673 94 HB2 ARG 12 HB2 ARG 12 -0.375 -8.782 4.691 95 HB3 ARG 12 HB1 ARG 12 -1.336 -8.900 6.165 96 HG2 ARG 12 HG2 ARG 12 -2.282 -10.911 5.544 97 HG3 ARG 12 HG1 ARG 12 -1.949 -10.654 3.833 98 HD2 ARG 12 HD2 ARG 12 -0.540 -12.392 4.824 99 HD3 ARG 12 HD1 ARG 12 0.392 -11.048 4.181 100 HE ARG 12 HE ARG 12 -0.141 -10.774 6.970 101 HH11 ARG 12 HH11 ARG 12 1.965 -12.393 4.569 102 HH12 ARG 12 HH12 ARG 12 3.269 -12.592 5.629 103 HH21 ARG 12 HH21 ARG 12 1.699 -11.027 8.441 104 HH22 ARG 12 HH22 ARG 12 3.118 -11.807 7.909 105 H ALA 13 HN ALA 13 -0.949 -6.212 3.791 106 HA ALA 13 HA ALA 13 -1.373 -4.531 6.017 107 HB1 ALA 13 HB1 ALA 13 -0.463 -3.774 3.239 108 HB2 ALA 13 HB2 ALA 13 0.584 -4.316 4.551 109 HB3 ALA 13 HB3 ALA 13 -0.283 -2.788 4.690 110 H LEU 14 HN LEU 14 -2.645 -4.405 2.719 111 HA LEU 14 HA LEU 14 -4.246 -2.138 3.181 112 HB2 LEU 14 HB2 LEU 14 -4.426 -4.167 0.966 113 HB3 LEU 14 HB1 LEU 14 -5.284 -2.643 1.005 114 HG LEU 14 HG LEU 14 -2.290 -3.005 0.841 115 HD11 LEU 14 HD11 LEU 14 -3.434 -3.526 -1.225 116 HD12 LEU 14 HD12 LEU 14 -2.536 -2.014 -1.370 117 HD13 LEU 14 HD13 LEU 14 -4.287 -1.983 -1.162 118 HD21 LEU 14 HD21 LEU 14 -2.839 -1.021 2.139 119 HD22 LEU 14 HD22 LEU 14 -3.927 -0.475 0.864 120 HD23 LEU 14 HD23 LEU 14 -2.193 -0.578 0.560 121 H VAL 15 HN VAL 15 -5.055 -5.578 3.117 122 HA VAL 15 HA VAL 15 -7.841 -5.156 3.260 123 HB VAL 15 HB VAL 15 -6.208 -7.664 3.790 124 HG11 VAL 15 HG11 VAL 15 -8.356 -7.861 4.924 125 HG12 VAL 15 HG12 VAL 15 -8.237 -8.940 3.538 126 HG13 VAL 15 HG13 VAL 15 -9.197 -7.454 3.421 127 HG21 VAL 15 HG21 VAL 15 -6.983 -8.300 1.577 128 HG22 VAL 15 HG22 VAL 15 -6.045 -6.807 1.550 129 HG23 VAL 15 HG23 VAL 15 -7.804 -6.748 1.422 130 H GLU 16 HN GLU 16 -5.489 -5.114 5.730 131 HA GLU 16 HA GLU 16 -7.386 -5.654 7.813 132 HB2 GLU 16 HB2 GLU 16 -4.548 -4.687 7.888 133 HB3 GLU 16 HB1 GLU 16 -5.527 -4.868 9.335 134 HG2 GLU 16 HG2 GLU 16 -5.790 -7.234 8.896 135 HG3 GLU 16 HG1 GLU 16 -4.868 -7.069 7.401 136 H SER 17 HN SER 17 -5.847 -2.714 6.520 137 HA SER 17 HA SER 17 -7.333 -1.111 8.344 138 HB2 SER 17 HB2 SER 17 -6.205 0.705 6.801 139 HB3 SER 17 HB1 SER 17 -5.276 -0.189 8.008 140 HG SER 17 HG SER 17 -5.330 -0.482 5.207 141 H ALA 18 HN ALA 18 -7.925 -2.418 5.223 142 HA ALA 18 HA ALA 18 -10.508 -1.217 5.219 143 HB1 ALA 18 HB1 ALA 18 -9.226 0.559 4.116 144 HB2 ALA 18 HB2 ALA 18 -10.373 -0.201 3.012 145 HB3 ALA 18 HB3 ALA 18 -8.656 -0.604 2.917 146 H GLY 19 HN GLY 19 -11.707 -2.865 4.888 147 HA2 GLY 19 HA2 GLY 19 -11.485 -4.456 2.548 148 HA3 GLY 19 HA1 GLY 19 -11.150 -5.338 4.043 149 H GLU 20 HN GLU 20 -13.336 -6.037 2.621 150 HA GLU 20 HA GLU 20 -15.390 -5.177 4.448 151 HB2 GLU 20 HB2 GLU 20 -15.694 -3.614 2.604 152 HB3 GLU 20 HB1 GLU 20 -15.767 -4.942 1.456 153 HG2 GLU 20 HG2 GLU 20 -17.977 -3.957 2.027 154 HG3 GLU 20 HG1 GLU 20 -17.857 -5.688 2.349 155 H THR 21 HN THR 21 -15.136 -7.125 5.304 156 HA THR 21 HA THR 21 -15.412 -9.320 5.641 157 HB THR 21 HB THR 21 -17.841 -10.014 5.232 158 HG1 THR 21 HG1 THR 21 -18.153 -7.240 4.678 159 HG21 THR 21 HG21 THR 21 -17.235 -7.509 6.795 160 HG22 THR 21 HG22 THR 21 -17.020 -9.167 7.357 161 HG23 THR 21 HG23 THR 21 -18.639 -8.552 7.022 162 H ASP 22 HN ASP 22 -17.651 -10.134 3.255 163 HA ASP 22 HA ASP 22 -15.615 -11.326 1.531 164 HB2 ASP 22 HB2 ASP 22 -17.827 -12.917 2.874 165 HB3 ASP 22 HB1 ASP 22 -16.887 -13.501 1.513 166 H GLY 23 HN GLY 23 -16.358 -11.741 -0.556 167 HA2 GLY 23 HA2 GLY 23 -18.531 -12.114 -1.836 168 HA3 GLY 23 HA1 GLY 23 -18.970 -10.543 -1.178 169 H THR 24 HN THR 24 -16.779 -9.100 -1.386 170 HA THR 24 HA THR 24 -15.464 -9.368 -3.888 171 HB THR 24 HB THR 24 -17.585 -8.408 -4.665 172 HG1 THR 24 HG1 THR 24 -16.129 -7.550 -5.907 173 HG21 THR 24 HG21 THR 24 -18.388 -6.202 -3.903 174 HG22 THR 24 HG22 THR 24 -17.112 -6.177 -2.684 175 HG23 THR 24 HG23 THR 24 -18.387 -7.393 -2.602 176 H ASP 25 HN ASP 25 -14.371 -9.586 -1.643 177 HA ASP 25 HA ASP 25 -13.641 -7.082 -0.411 178 HB2 ASP 25 HB2 ASP 25 -14.149 -8.992 1.004 179 HB3 ASP 25 HB1 ASP 25 -12.895 -9.941 0.221 180 H LEU 26 HN LEU 26 -11.235 -6.822 0.153 181 HA LEU 26 HA LEU 26 -9.830 -6.708 -2.371 182 HB2 LEU 26 HB2 LEU 26 -9.042 -5.666 0.339 183 HB3 LEU 26 HB1 LEU 26 -8.217 -5.330 -1.169 184 HG LEU 26 HG LEU 26 -11.001 -4.448 -0.422 185 HD11 LEU 26 HD11 LEU 26 -10.033 -2.206 -0.470 186 HD12 LEU 26 HD12 LEU 26 -8.444 -2.903 -0.791 187 HD13 LEU 26 HD13 LEU 26 -9.259 -3.226 0.742 188 HD21 LEU 26 HD21 LEU 26 -10.858 -4.932 -2.808 189 HD22 LEU 26 HD22 LEU 26 -9.409 -3.935 -2.934 190 HD23 LEU 26 HD23 LEU 26 -10.958 -3.191 -2.527 191 H SER 27 HN SER 27 -9.961 -8.945 0.159 192 HA SER 27 HA SER 27 -7.206 -9.591 0.144 193 HB2 SER 27 HB2 SER 27 -7.920 -11.681 1.359 194 HB3 SER 27 HB1 SER 27 -8.425 -10.174 2.121 195 HG SER 27 HG SER 27 -10.439 -10.492 1.508 196 H GLY 28 HN GLY 28 -6.488 -9.900 -1.809 197 HA2 GLY 28 HA2 GLY 28 -5.918 -12.140 -2.960 198 HA3 GLY 28 HA1 GLY 28 -7.624 -12.096 -3.394 199 H ASP 29 HN ASP 29 -8.356 -10.089 -4.521 200 HA ASP 29 HA ASP 29 -6.206 -9.271 -6.336 201 HB2 ASP 29 HB2 ASP 29 -8.019 -10.698 -7.369 202 HB3 ASP 29 HB1 ASP 29 -9.141 -9.378 -7.047 203 H PHE 30 HN PHE 30 -5.890 -7.173 -6.701 204 HA PHE 30 HA PHE 30 -7.607 -5.041 -6.043 205 HB2 PHE 30 HB2 PHE 30 -6.595 -4.214 -3.939 206 HB3 PHE 30 HB1 PHE 30 -7.335 -5.793 -3.701 207 HD1 PHE 30 HD1 PHE 30 -5.903 -7.791 -3.417 208 HD2 PHE 30 HD2 PHE 30 -4.248 -3.888 -3.681 209 HE1 PHE 30 HE1 PHE 30 -3.774 -8.636 -2.532 210 HE2 PHE 30 HE2 PHE 30 -2.124 -4.724 -2.804 211 HZ PHE 30 HZ PHE 30 -1.878 -7.104 -2.229 212 H LEU 31 HN LEU 31 -4.425 -6.313 -6.533 213 HA LEU 31 HA LEU 31 -2.730 -4.151 -6.488 214 HB2 LEU 31 HB2 LEU 31 -2.160 -6.583 -6.679 215 HB3 LEU 31 HB1 LEU 31 -2.548 -6.469 -8.383 216 HG LEU 31 HG LEU 31 -0.727 -4.823 -8.666 217 HD11 LEU 31 HD11 LEU 31 -0.105 -5.526 -5.804 218 HD12 LEU 31 HD12 LEU 31 -0.659 -3.959 -6.397 219 HD13 LEU 31 HD13 LEU 31 0.922 -4.575 -6.878 220 HD21 LEU 31 HD21 LEU 31 0.081 -7.461 -7.446 221 HD22 LEU 31 HD22 LEU 31 1.092 -6.444 -8.473 222 HD23 LEU 31 HD23 LEU 31 -0.366 -7.189 -9.130 223 H ASP 32 HN ASP 32 -5.008 -4.961 -8.975 224 HA ASP 32 HA ASP 32 -3.771 -3.207 -10.954 225 HB2 ASP 32 HB2 ASP 32 -4.575 -5.309 -11.789 226 HB3 ASP 32 HB1 ASP 32 -6.152 -5.053 -11.057 227 H LEU 33 HN LEU 33 -6.231 -3.137 -8.605 228 HA LEU 33 HA LEU 33 -7.788 -1.100 -9.930 229 HB2 LEU 33 HB2 LEU 33 -7.930 -2.288 -7.159 230 HB3 LEU 33 HB1 LEU 33 -8.971 -1.002 -7.705 231 HG LEU 33 HG LEU 33 -9.871 -2.580 -9.444 232 HD11 LEU 33 HD11 LEU 33 -8.049 -4.190 -9.529 233 HD12 LEU 33 HD12 LEU 33 -9.573 -4.973 -9.115 234 HD13 LEU 33 HD13 LEU 33 -8.373 -4.659 -7.859 235 HD21 LEU 33 HD21 LEU 33 -10.181 -3.335 -6.548 236 HD22 LEU 33 HD22 LEU 33 -11.287 -3.773 -7.851 237 HD23 LEU 33 HD23 LEU 33 -11.064 -2.078 -7.416 238 H ARG 34 HN ARG 34 -7.842 1.055 -9.244 239 HA ARG 34 HA ARG 34 -5.296 1.905 -8.233 240 HB2 ARG 34 HB2 ARG 34 -7.722 3.546 -9.027 241 HB3 ARG 34 HB1 ARG 34 -6.096 4.168 -8.745 242 HG2 ARG 34 HG2 ARG 34 -5.288 2.731 -10.602 243 HG3 ARG 34 HG1 ARG 34 -6.960 2.291 -10.928 244 HD2 ARG 34 HD2 ARG 34 -7.460 4.666 -11.361 245 HD3 ARG 34 HD1 ARG 34 -5.754 5.032 -11.056 246 HE ARG 34 HE ARG 34 -6.536 3.172 -13.178 247 HH11 ARG 34 HH11 ARG 34 -4.739 6.051 -12.137 248 HH12 ARG 34 HH12 ARG 34 -4.085 6.352 -13.699 249 HH21 ARG 34 HH21 ARG 34 -5.613 3.618 -15.278 250 HH22 ARG 34 HH22 ARG 34 -4.560 4.980 -15.474 251 H PHE 35 HN PHE 35 -5.238 3.504 -6.434 252 HA PHE 35 HA PHE 35 -6.308 2.360 -4.155 253 HB2 PHE 35 HB2 PHE 35 -5.191 5.130 -4.542 254 HB3 PHE 35 HB1 PHE 35 -5.724 4.537 -2.968 255 HD1 PHE 35 HD1 PHE 35 -4.703 2.290 -2.194 256 HD2 PHE 35 HD2 PHE 35 -3.002 4.731 -5.222 257 HE1 PHE 35 HE1 PHE 35 -2.530 1.191 -1.849 258 HE2 PHE 35 HE2 PHE 35 -0.825 3.640 -4.887 259 HZ PHE 35 HZ PHE 35 -0.585 1.865 -3.201 260 H GLU 36 HN GLU 36 -7.615 5.003 -6.018 261 HA GLU 36 HA GLU 36 -9.811 5.629 -4.435 262 HB2 GLU 36 HB2 GLU 36 -10.895 6.413 -6.497 263 HB3 GLU 36 HB1 GLU 36 -9.245 6.985 -6.310 264 HG2 GLU 36 HG2 GLU 36 -8.453 5.446 -7.942 265 HG3 GLU 36 HG1 GLU 36 -10.031 4.658 -8.030 266 H ASP 37 HN ASP 37 -9.334 2.800 -6.432 267 HA ASP 37 HA ASP 37 -12.154 2.110 -6.549 268 HB2 ASP 37 HB2 ASP 37 -9.710 0.493 -7.350 269 HB3 ASP 37 HB1 ASP 37 -11.370 0.001 -7.614 270 H ILE 38 HN ILE 38 -9.319 1.392 -4.696 271 HA ILE 38 HA ILE 38 -10.715 -0.795 -3.369 272 HB ILE 38 HB ILE 38 -8.563 -1.359 -2.280 273 HG12 ILE 38 HG12 ILE 38 -7.418 0.856 -4.010 274 HG13 ILE 38 HG11 ILE 38 -7.565 0.903 -2.258 275 HG21 ILE 38 HG21 ILE 38 -9.175 -2.437 -4.357 276 HG22 ILE 38 HG22 ILE 38 -7.429 -2.181 -4.304 277 HG23 ILE 38 HG23 ILE 38 -8.450 -1.121 -5.282 278 HD11 ILE 38 HD11 ILE 38 -5.855 -1.005 -3.840 279 HD12 ILE 38 HD12 ILE 38 -5.991 -0.959 -2.082 280 HD13 ILE 38 HD13 ILE 38 -5.291 0.407 -2.949 281 H GLY 39 HN GLY 39 -11.109 2.165 -2.985 282 HA2 GLY 39 HA2 GLY 39 -11.991 3.405 -1.245 283 HA3 GLY 39 HA1 GLY 39 -11.829 1.986 -0.227 284 H TYR 40 HN TYR 40 -9.024 3.196 -1.832 285 HA TYR 40 HA TYR 40 -8.068 4.005 0.762 286 HB2 TYR 40 HB2 TYR 40 -6.735 2.733 -1.521 287 HB3 TYR 40 HB1 TYR 40 -5.787 3.933 -0.636 288 HD1 TYR 40 HD1 TYR 40 -7.695 0.798 -0.285 289 HD2 TYR 40 HD2 TYR 40 -4.985 3.528 1.486 290 HE1 TYR 40 HE1 TYR 40 -7.319 -0.779 1.555 291 HE2 TYR 40 HE2 TYR 40 -4.589 1.986 3.318 292 HH TYR 40 HH TYR 40 -5.895 -1.255 3.293 293 H ASP 41 HN ASP 41 -8.538 5.902 1.109 294 HA ASP 41 HA ASP 41 -8.043 7.999 -0.815 295 HB2 ASP 41 HB2 ASP 41 -8.893 9.502 0.903 296 HB3 ASP 41 HB1 ASP 41 -9.995 8.142 0.720 297 H SER 42 HN SER 42 -6.867 9.908 0.165 298 HA SER 42 HA SER 42 -4.184 9.508 0.244 299 HB2 SER 42 HB2 SER 42 -4.169 11.798 1.117 300 HB3 SER 42 HB1 SER 42 -5.259 11.569 -0.265 301 H LEU 43 HN LEU 43 -6.395 9.821 3.008 302 HA LEU 43 HA LEU 43 -4.299 10.042 4.948 303 HB2 LEU 43 HB2 LEU 43 -6.668 11.034 5.055 304 HB3 LEU 43 HB1 LEU 43 -7.217 9.432 5.454 305 HG LEU 43 HG LEU 43 -7.072 10.919 7.403 306 HD11 LEU 43 HD11 LEU 43 -5.851 9.476 8.929 307 HD12 LEU 43 HD12 LEU 43 -5.122 8.644 7.554 308 HD13 LEU 43 HD13 LEU 43 -6.863 8.558 7.813 309 HD21 LEU 43 HD21 LEU 43 -4.895 11.606 8.287 310 HD22 LEU 43 HD22 LEU 43 -5.237 12.320 6.711 311 HD23 LEU 43 HD23 LEU 43 -4.117 10.963 6.839 312 H ALA 44 HN ALA 44 -6.546 7.525 3.924 313 HA ALA 44 HA ALA 44 -5.644 5.536 5.748 314 HB1 ALA 44 HB1 ALA 44 -7.781 5.346 4.559 315 HB2 ALA 44 HB2 ALA 44 -6.769 3.928 4.278 316 HB3 ALA 44 HB3 ALA 44 -6.919 5.165 3.029 317 H LEU 45 HN LEU 45 -4.679 6.513 2.568 318 HA LEU 45 HA LEU 45 -2.836 4.472 2.036 319 HB2 LEU 45 HB2 LEU 45 -3.788 5.847 0.306 320 HB3 LEU 45 HB1 LEU 45 -3.087 7.286 1.006 321 HG LEU 45 HG LEU 45 -0.859 6.539 0.363 322 HD11 LEU 45 HD11 LEU 45 -2.280 4.164 -0.850 323 HD12 LEU 45 HD12 LEU 45 -1.212 4.115 0.554 324 HD13 LEU 45 HD13 LEU 45 -0.568 4.549 -1.030 325 HD21 LEU 45 HD21 LEU 45 -1.157 6.769 -2.039 326 HD22 LEU 45 HD22 LEU 45 -2.252 7.852 -1.155 327 HD23 LEU 45 HD23 LEU 45 -2.865 6.356 -1.858 328 H MET 46 HN MET 46 -2.478 7.681 3.542 329 HA MET 46 HA MET 46 0.338 7.475 3.712 330 HB2 MET 46 HB2 MET 46 0.364 9.499 4.967 331 HB3 MET 46 HB1 MET 46 -0.975 9.659 3.854 332 HG2 MET 46 HG2 MET 46 -1.824 10.544 5.831 333 HG3 MET 46 HG1 MET 46 -2.422 8.896 5.854 334 HE1 MET 46 HE1 MET 46 -1.731 9.673 9.650 335 HE2 MET 46 HE2 MET 46 -2.932 9.154 8.468 336 HE3 MET 46 HE3 MET 46 -2.304 10.800 8.423 337 H GLU 47 HN GLU 47 -2.252 6.548 5.923 338 HA GLU 47 HA GLU 47 -0.603 5.852 8.087 339 HB2 GLU 47 HB2 GLU 47 -3.287 4.844 7.205 340 HB3 GLU 47 HB1 GLU 47 -2.520 4.245 8.683 341 HG2 GLU 47 HG2 GLU 47 -2.499 6.644 9.450 342 HG3 GLU 47 HG1 GLU 47 -3.483 7.024 8.037 343 H THR 48 HN THR 48 -1.724 4.013 5.327 344 HA THR 48 HA THR 48 -0.529 1.570 5.989 345 HB THR 48 HB THR 48 -1.168 2.718 3.258 346 HG1 THR 48 HG1 THR 48 -3.045 2.649 4.476 347 HG21 THR 48 HG21 THR 48 -1.316 0.359 2.559 348 HG22 THR 48 HG22 THR 48 -0.836 -0.155 4.175 349 HG23 THR 48 HG23 THR 48 0.302 0.727 3.158 350 H ALA 49 HN ALA 49 0.667 4.285 3.991 351 HA ALA 49 HA ALA 49 3.129 3.215 3.268 352 HB1 ALA 49 HB1 ALA 49 2.211 5.281 2.311 353 HB2 ALA 49 HB2 ALA 49 3.854 5.527 2.909 354 HB3 ALA 49 HB3 ALA 49 2.478 6.110 3.844 355 H ALA 50 HN ALA 50 2.348 5.271 6.063 356 HA ALA 50 HA ALA 50 4.894 5.293 7.235 357 HB1 ALA 50 HB1 ALA 50 3.104 6.859 7.834 358 HB2 ALA 50 HB2 ALA 50 3.765 6.052 9.258 359 HB3 ALA 50 HB3 ALA 50 2.212 5.542 8.595 360 H ARG 51 HN ARG 51 2.254 3.032 7.513 361 HA ARG 51 HA ARG 51 3.171 1.447 9.644 362 HB2 ARG 51 HB2 ARG 51 0.915 1.297 8.757 363 HB3 ARG 51 HB1 ARG 51 1.532 0.744 7.213 364 HG2 ARG 51 HG2 ARG 51 2.352 -1.303 8.313 365 HG3 ARG 51 HG1 ARG 51 1.629 -0.740 9.826 366 HD2 ARG 51 HD2 ARG 51 -0.554 -0.641 8.726 367 HD3 ARG 51 HD1 ARG 51 0.179 -1.250 7.244 368 HE ARG 51 HE ARG 51 0.836 -3.126 9.060 369 HH11 ARG 51 HH11 ARG 51 -2.214 -1.701 7.974 370 HH12 ARG 51 HH12 ARG 51 -3.175 -2.992 8.538 371 HH21 ARG 51 HH21 ARG 51 -0.414 -4.909 9.741 372 HH22 ARG 51 HH22 ARG 51 -2.099 -4.936 9.573 373 H LEU 52 HN LEU 52 3.613 1.157 6.150 374 HA LEU 52 HA LEU 52 5.201 -1.182 6.256 375 HB2 LEU 52 HB2 LEU 52 4.995 0.904 4.088 376 HB3 LEU 52 HB1 LEU 52 5.766 -0.662 3.912 377 HG LEU 52 HG LEU 52 2.845 -0.218 4.496 378 HD11 LEU 52 HD11 LEU 52 4.224 -1.071 1.962 379 HD12 LEU 52 HD12 LEU 52 3.419 0.473 2.243 380 HD13 LEU 52 HD13 LEU 52 2.482 -1.020 2.216 381 HD21 LEU 52 HD21 LEU 52 3.657 -2.297 5.454 382 HD22 LEU 52 HD22 LEU 52 4.372 -2.753 3.907 383 HD23 LEU 52 HD23 LEU 52 2.617 -2.622 4.066 384 H GLU 53 HN GLU 53 5.962 2.237 6.287 385 HA GLU 53 HA GLU 53 8.721 2.027 6.013 386 HB2 GLU 53 HB2 GLU 53 7.080 4.055 7.518 387 HB3 GLU 53 HB1 GLU 53 8.816 4.201 7.262 388 HG2 GLU 53 HG2 GLU 53 8.462 4.166 4.862 389 HG3 GLU 53 HG1 GLU 53 6.726 4.049 5.112 390 H SER 54 HN SER 54 6.833 2.261 9.028 391 HA SER 54 HA SER 54 9.020 1.780 10.690 392 HB2 SER 54 HB2 SER 54 6.070 1.395 11.214 393 HB3 SER 54 HB1 SER 54 7.329 1.413 12.451 394 HG SER 54 HG SER 54 7.902 3.524 11.524 395 H ARG 55 HN ARG 55 6.741 -0.483 9.197 396 HA ARG 55 HA ARG 55 7.605 -2.717 10.682 397 HB2 ARG 55 HB2 ARG 55 5.477 -2.804 9.532 398 HB3 ARG 55 HB1 ARG 55 6.269 -2.615 7.971 399 HG2 ARG 55 HG2 ARG 55 7.404 -4.771 8.308 400 HG3 ARG 55 HG1 ARG 55 6.556 -4.961 9.838 401 HD2 ARG 55 HD2 ARG 55 4.449 -5.127 8.719 402 HD3 ARG 55 HD1 ARG 55 5.172 -4.664 7.174 403 HE ARG 55 HE ARG 55 6.319 -6.989 8.426 404 HH11 ARG 55 HH11 ARG 55 3.594 -6.075 6.298 405 HH12 ARG 55 HH12 ARG 55 3.828 -7.418 5.285 406 HH21 ARG 55 HH21 ARG 55 6.526 -8.847 6.992 407 HH22 ARG 55 HH22 ARG 55 5.463 -8.976 5.656 408 H TYR 56 HN TYR 56 8.666 -1.543 7.481 409 HA TYR 56 HA TYR 56 10.564 -3.755 7.377 410 HB2 TYR 56 HB2 TYR 56 9.802 -1.720 5.299 411 HB3 TYR 56 HB1 TYR 56 11.043 -2.943 5.062 412 HD1 TYR 56 HD2 TYR 56 10.436 -5.298 4.868 413 HD2 TYR 56 HD1 TYR 56 7.461 -2.290 5.271 414 HE1 TYR 56 HE2 TYR 56 8.730 -6.892 4.100 415 HE2 TYR 56 HE1 TYR 56 5.750 -3.855 4.509 416 HH TYR 56 HH TYR 56 6.296 -7.220 4.218 417 H GLY 57 HN GLY 57 10.633 -0.487 8.304 418 HA2 GLY 57 HA2 GLY 57 12.451 0.705 9.100 419 HA3 GLY 57 HA1 GLY 57 13.516 -0.583 8.541 420 H VAL 58 HN VAL 58 11.117 1.001 6.612 421 HA VAL 58 HA VAL 58 13.251 2.014 4.886 422 HB VAL 58 HB VAL 58 11.672 1.971 2.983 423 HG11 VAL 58 HG11 VAL 58 13.135 0.083 3.314 424 HG12 VAL 58 HG12 VAL 58 11.576 -0.446 2.671 425 HG13 VAL 58 HG13 VAL 58 11.949 -0.674 4.379 426 HG21 VAL 58 HG21 VAL 58 9.786 0.600 4.902 427 HG22 VAL 58 HG22 VAL 58 9.534 0.764 3.164 428 HG23 VAL 58 HG23 VAL 58 9.562 2.197 4.190 429 H SER 59 HN SER 59 12.400 3.914 3.457 430 HA SER 59 HA SER 59 10.749 5.671 5.097 431 HB2 SER 59 HB2 SER 59 13.241 6.073 5.497 432 HB3 SER 59 HB1 SER 59 13.354 6.547 3.805 433 HG SER 59 HG SER 59 11.654 7.707 5.739 434 H ILE 60 HN ILE 60 9.118 6.117 3.854 435 HA ILE 60 HA ILE 60 9.365 6.023 0.931 436 HB ILE 60 HB ILE 60 6.869 6.127 2.656 437 HG12 ILE 60 HG12 ILE 60 8.025 3.794 1.112 438 HG13 ILE 60 HG11 ILE 60 8.149 4.003 2.856 439 HG21 ILE 60 HG21 ILE 60 7.162 5.685 -0.320 440 HG22 ILE 60 HG22 ILE 60 6.486 7.115 0.462 441 HG23 ILE 60 HG23 ILE 60 5.654 5.565 0.586 442 HD11 ILE 60 HD11 ILE 60 5.592 3.687 1.299 443 HD12 ILE 60 HD12 ILE 60 5.723 3.868 3.050 444 HD13 ILE 60 HD13 ILE 60 6.384 2.437 2.260 445 HA PRO 61 HA PRO 61 9.330 10.549 1.128 446 HB2 PRO 61 HB2 PRO 61 9.242 10.166 -1.813 447 HB3 PRO 61 HB1 PRO 61 10.369 11.124 -0.844 448 HG2 PRO 61 HG2 PRO 61 11.133 8.836 -1.974 449 HG3 PRO 61 HG1 PRO 61 11.710 9.306 -0.364 450 HD2 PRO 61 HD2 PRO 61 9.598 7.332 -1.118 451 HD3 PRO 61 HD1 PRO 61 10.835 7.236 0.155 452 H ASP 62 HN ASP 62 7.601 11.873 1.050 453 HA ASP 62 HA ASP 62 4.992 10.938 0.649 454 HB2 ASP 62 HB2 ASP 62 4.208 13.214 0.888 455 HB3 ASP 62 HB1 ASP 62 5.535 12.966 2.009 456 H ASP 63 HN ASP 63 7.248 12.255 -1.639 457 HA ASP 63 HA ASP 63 5.373 12.911 -3.672 458 HB2 ASP 63 HB2 ASP 63 7.613 13.845 -3.775 459 HB3 ASP 63 HB1 ASP 63 8.322 12.236 -3.866 460 H VAL 64 HN VAL 64 6.788 9.960 -2.620 461 HA VAL 64 HA VAL 64 6.194 8.461 -4.988 462 HB VAL 64 HB VAL 64 6.685 7.511 -2.144 463 HG11 VAL 64 HG11 VAL 64 7.115 5.324 -3.164 464 HG12 VAL 64 HG12 VAL 64 6.674 5.978 -4.743 465 HG13 VAL 64 HG13 VAL 64 5.463 5.866 -3.466 466 HG21 VAL 64 HG21 VAL 64 8.935 6.959 -2.941 467 HG22 VAL 64 HG22 VAL 64 8.610 8.688 -3.067 468 HG23 VAL 64 HG23 VAL 64 8.555 7.673 -4.509 469 H ALA 65 HN ALA 65 4.798 8.696 -1.729 470 HA ALA 65 HA ALA 65 2.570 7.069 -2.178 471 HB1 ALA 65 HB1 ALA 65 3.325 7.743 0.061 472 HB2 ALA 65 HB2 ALA 65 1.611 8.083 -0.180 473 HB3 ALA 65 HB3 ALA 65 2.788 9.391 -0.262 474 H GLY 66 HN GLY 66 3.106 10.417 -2.932 475 HA2 GLY 66 HA2 GLY 66 0.351 10.950 -3.579 476 HA3 GLY 66 HA1 GLY 66 1.717 12.015 -3.878 477 H ARG 67 HN ARG 67 3.016 9.576 -5.320 478 HA ARG 67 HA ARG 67 1.711 10.244 -7.868 479 HB2 ARG 67 HB2 ARG 67 3.744 9.717 -9.006 480 HB3 ARG 67 HB1 ARG 67 4.150 10.747 -7.644 481 HG2 ARG 67 HG2 ARG 67 4.788 8.699 -6.378 482 HG3 ARG 67 HG1 ARG 67 4.541 7.778 -7.863 483 HD2 ARG 67 HD2 ARG 67 6.217 9.191 -8.975 484 HD3 ARG 67 HD1 ARG 67 6.488 10.035 -7.450 485 HE ARG 67 HE ARG 67 6.854 7.142 -7.648 486 HH11 ARG 67 HH11 ARG 67 8.198 10.360 -6.824 487 HH12 ARG 67 HH12 ARG 67 9.700 9.728 -6.391 488 HH21 ARG 67 HH21 ARG 67 8.982 6.331 -6.971 489 HH22 ARG 67 HH22 ARG 67 10.135 7.475 -6.413 490 H VAL 68 HN VAL 68 2.133 7.640 -5.701 491 HA VAL 68 HA VAL 68 1.698 5.667 -7.743 492 HB VAL 68 HB VAL 68 1.687 3.978 -5.916 493 HG11 VAL 68 HG11 VAL 68 3.778 4.573 -6.937 494 HG12 VAL 68 HG12 VAL 68 4.016 4.230 -5.222 495 HG13 VAL 68 HG13 VAL 68 3.992 5.899 -5.794 496 HG21 VAL 68 HG21 VAL 68 2.158 6.314 -4.054 497 HG22 VAL 68 HG22 VAL 68 2.310 4.608 -3.634 498 HG23 VAL 68 HG23 VAL 68 0.727 5.269 -4.073 499 H ASP 69 HN ASP 69 -0.109 5.551 -8.631 500 HA ASP 69 HA ASP 69 -2.542 6.277 -7.178 501 HB2 ASP 69 HB2 ASP 69 -1.989 7.380 -9.356 502 HB3 ASP 69 HB1 ASP 69 -2.148 5.814 -10.139 503 H THR 70 HN THR 70 -0.837 3.636 -8.473 504 HA THR 70 HA THR 70 -3.058 1.847 -7.772 505 HB THR 70 HB THR 70 -1.934 0.212 -9.407 506 HG1 THR 70 HG1 THR 70 -0.410 2.483 -9.830 507 HG21 THR 70 HG21 THR 70 -3.251 2.681 -10.531 508 HG22 THR 70 HG22 THR 70 -4.079 1.253 -9.907 509 HG23 THR 70 HG23 THR 70 -3.091 1.136 -11.364 510 HA PRO 71 HA PRO 71 -0.501 0.099 -4.633 511 HB2 PRO 71 HB2 PRO 71 -1.456 -2.553 -5.589 512 HB3 PRO 71 HB1 PRO 71 -1.521 -1.855 -3.965 513 HG2 PRO 71 HG2 PRO 71 -3.708 -1.986 -5.451 514 HG3 PRO 71 HG1 PRO 71 -3.372 -0.551 -4.461 515 HD2 PRO 71 HD2 PRO 71 -3.054 -0.943 -7.405 516 HD3 PRO 71 HD1 PRO 71 -3.646 0.473 -6.512 517 H ARG 72 HN ARG 72 -0.368 -1.401 -7.817 518 HA ARG 72 HA ARG 72 1.863 -2.976 -7.587 519 HB2 ARG 72 HB2 ARG 72 2.164 -2.700 -10.049 520 HB3 ARG 72 HB1 ARG 72 0.502 -3.035 -9.586 521 HG2 ARG 72 HG2 ARG 72 -0.074 -0.693 -9.876 522 HG3 ARG 72 HG1 ARG 72 1.602 -0.314 -10.258 523 HD2 ARG 72 HD2 ARG 72 0.248 -0.442 -12.277 524 HD3 ARG 72 HD1 ARG 72 1.470 -1.707 -12.253 525 HE ARG 72 HE ARG 72 -0.269 -3.269 -11.612 526 HH11 ARG 72 HH11 ARG 72 -1.477 -0.178 -13.022 527 HH12 ARG 72 HH12 ARG 72 -2.908 -0.900 -13.596 528 HH21 ARG 72 HH21 ARG 72 -2.160 -4.168 -12.454 529 HH22 ARG 72 HH22 ARG 72 -3.331 -3.226 -13.264 530 H GLU 73 HN GLU 73 1.746 0.491 -8.240 531 HA GLU 73 HA GLU 73 4.488 0.905 -8.780 532 HB2 GLU 73 HB2 GLU 73 2.401 2.826 -7.755 533 HB3 GLU 73 HB1 GLU 73 3.920 3.262 -8.529 534 HG2 GLU 73 HG2 GLU 73 3.217 2.374 -10.605 535 HG3 GLU 73 HG1 GLU 73 1.804 1.620 -9.870 536 H LEU 74 HN LEU 74 2.510 1.122 -5.914 537 HA LEU 74 HA LEU 74 4.479 2.162 -4.155 538 HB2 LEU 74 HB2 LEU 74 1.993 2.299 -3.829 539 HB3 LEU 74 HB1 LEU 74 1.955 0.585 -3.535 540 HG LEU 74 HG LEU 74 1.727 2.029 -1.502 541 HD11 LEU 74 HD11 LEU 74 3.231 0.761 -0.062 542 HD12 LEU 74 HD12 LEU 74 4.101 0.188 -1.483 543 HD13 LEU 74 HD13 LEU 74 2.415 -0.269 -1.240 544 HD21 LEU 74 HD21 LEU 74 3.260 3.803 -2.117 545 HD22 LEU 74 HD22 LEU 74 4.619 2.684 -2.041 546 HD23 LEU 74 HD23 LEU 74 3.728 3.091 -0.571 547 H LEU 75 HN LEU 75 3.246 -1.090 -4.795 548 HA LEU 75 HA LEU 75 4.769 -2.631 -3.065 549 HB2 LEU 75 HB2 LEU 75 2.958 -3.520 -4.426 550 HB3 LEU 75 HB1 LEU 75 3.857 -3.200 -5.892 551 HG LEU 75 HG LEU 75 5.540 -4.892 -5.152 552 HD11 LEU 75 HD11 LEU 75 5.116 -4.818 -2.779 553 HD12 LEU 75 HD12 LEU 75 4.920 -6.455 -3.406 554 HD13 LEU 75 HD13 LEU 75 3.501 -5.479 -3.030 555 HD21 LEU 75 HD21 LEU 75 3.795 -5.469 -6.748 556 HD22 LEU 75 HD22 LEU 75 2.707 -5.877 -5.417 557 HD23 LEU 75 HD23 LEU 75 4.175 -6.823 -5.682 558 H ASP 76 HN ASP 76 5.448 -1.695 -6.391 559 HA ASP 76 HA ASP 76 7.969 -2.805 -6.666 560 HB2 ASP 76 HB2 ASP 76 6.706 -2.037 -8.577 561 HB3 ASP 76 HB1 ASP 76 6.808 -0.370 -8.014 562 H LEU 77 HN LEU 77 7.067 0.427 -5.461 563 HA LEU 77 HA LEU 77 9.702 1.423 -5.317 564 HB2 LEU 77 HB2 LEU 77 7.683 2.857 -5.260 565 HB3 LEU 77 HB1 LEU 77 7.250 2.205 -3.705 566 HG LEU 77 HG LEU 77 8.182 4.532 -3.697 567 HD11 LEU 77 HD11 LEU 77 9.720 2.552 -2.039 568 HD12 LEU 77 HD12 LEU 77 8.171 3.290 -1.632 569 HD13 LEU 77 HD13 LEU 77 9.620 4.288 -1.741 570 HD21 LEU 77 HD21 LEU 77 10.770 3.153 -4.376 571 HD22 LEU 77 HD22 LEU 77 10.606 4.837 -3.875 572 HD23 LEU 77 HD23 LEU 77 9.888 4.295 -5.390 573 H ILE 78 HN ILE 78 7.689 -0.302 -3.004 574 HA ILE 78 HA ILE 78 9.507 -0.122 -0.844 575 HB ILE 78 HB ILE 78 7.455 -2.305 -1.342 576 HG12 ILE 78 HG12 ILE 78 6.406 -0.093 -1.312 577 HG13 ILE 78 HG11 ILE 78 5.984 -0.997 0.136 578 HG21 ILE 78 HG21 ILE 78 8.833 -1.434 1.205 579 HG22 ILE 78 HG22 ILE 78 9.122 -2.936 0.330 580 HG23 ILE 78 HG23 ILE 78 7.557 -2.647 1.093 581 HD11 ILE 78 HD11 ILE 78 6.439 1.326 0.642 582 HD12 ILE 78 HD12 ILE 78 8.051 1.180 -0.053 583 HD13 ILE 78 HD13 ILE 78 7.632 0.278 1.407 584 H ASN 79 HN ASN 79 8.980 -2.598 -3.329 585 HA ASN 79 HA ASN 79 10.966 -4.367 -2.331 586 HB2 ASN 79 HB2 ASN 79 9.798 -4.125 -5.116 587 HB3 ASN 79 HB1 ASN 79 11.053 -5.287 -4.736 588 HD21 ASN 79 HD21 ASN 79 8.313 -4.407 -2.650 589 HD22 ASN 79 HD22 ASN 79 7.583 -5.978 -2.725 590 H GLY 80 HN GLY 80 11.080 -1.701 -4.608 591 HA2 GLY 80 HA2 GLY 80 13.725 -1.974 -5.452 592 HA3 GLY 80 HA1 GLY 80 12.806 -0.474 -5.399 593 H ALA 81 HN ALA 81 12.369 -0.138 -2.745 594 HA ALA 81 HA ALA 81 14.851 0.908 -1.876 595 HB1 ALA 81 HB1 ALA 81 13.640 1.583 0.140 596 HB2 ALA 81 HB2 ALA 81 12.295 0.538 -0.316 597 HB3 ALA 81 HB3 ALA 81 12.700 1.936 -1.310 598 H LEU 82 HN LEU 82 13.081 -2.000 -1.105 599 HA LEU 82 HA LEU 82 14.720 -2.825 1.069 600 HB2 LEU 82 HB2 LEU 82 12.926 -4.414 -0.764 601 HB3 LEU 82 HB1 LEU 82 13.720 -5.082 0.648 602 HG LEU 82 HG LEU 82 11.721 -2.822 0.732 603 HD11 LEU 82 HD11 LEU 82 10.670 -4.883 -0.008 604 HD12 LEU 82 HD12 LEU 82 10.175 -4.474 1.633 605 HD13 LEU 82 HD13 LEU 82 11.369 -5.745 1.361 606 HD21 LEU 82 HD21 LEU 82 13.302 -2.811 2.574 607 HD22 LEU 82 HD22 LEU 82 12.939 -4.511 2.898 608 HD23 LEU 82 HD23 LEU 82 11.688 -3.283 3.117 609 H ALA 83 HN ALA 83 14.752 -3.474 -2.397 610 HA ALA 83 HA ALA 83 16.904 -5.283 -2.394 611 HB1 ALA 83 HB1 ALA 83 16.015 -3.415 -4.592 612 HB2 ALA 83 HB2 ALA 83 15.373 -5.030 -4.296 613 HB3 ALA 83 HB3 ALA 83 17.054 -4.826 -4.791 614 H GLU 84 HN GLU 84 16.752 -1.771 -2.693 615 HA GLU 84 HA GLU 84 19.559 -1.461 -3.101 616 HB2 GLU 84 HB2 GLU 84 17.481 0.548 -2.257 617 HB3 GLU 84 HB1 GLU 84 19.136 0.943 -2.698 618 HG2 GLU 84 HG2 GLU 84 18.738 0.043 -4.934 619 HG3 GLU 84 HG1 GLU 84 17.073 -0.316 -4.481 620 H ALA 85 HN ALA 85 17.752 -2.144 -0.384 621 HA ALA 85 HA ALA 85 19.442 -0.829 1.530 622 HB1 ALA 85 HB1 ALA 85 17.095 -1.326 2.076 623 HB2 ALA 85 HB2 ALA 85 18.194 -2.102 3.217 624 HB3 ALA 85 HB3 ALA 85 17.432 -3.053 1.938 625 H ALA 86 HN ALA 86 18.821 -4.263 0.839 626 HA ALA 86 HA ALA 86 21.571 -4.929 0.775 627 HB1 ALA 86 HB1 ALA 86 21.512 -6.457 2.712 628 HB2 ALA 86 HB2 ALA 86 19.899 -5.871 3.120 629 HB3 ALA 86 HB3 ALA 86 21.284 -4.781 3.211 630 H28 SXH 87 H28B SXH 87 -4.331 12.264 3.439 631 H28A SXH 87 H28A SXH 87 -4.880 13.706 4.295 632 H30 SXH 87 H30C SXH 87 -2.260 12.200 4.580 633 H30A SXH 87 H30A SXH 87 -2.796 13.569 5.557 634 H30B SXH 87 H30B SXH 87 -1.232 13.621 4.740 635 H31 SXH 87 H31A SXH 87 -2.155 12.338 2.160 636 H31A SXH 87 H31C SXH 87 -2.680 13.796 1.317 637 H31B SXH 87 H31B SXH 87 -1.160 13.791 2.209 638 H32 SXH 87 H32A SXH 87 -3.307 15.789 4.477 639 HO33 SXH 87 H33A SXH 87 -2.980 15.949 1.665 640 HN36 SXH 87 H36A SXH 87 -1.358 16.003 5.433 641 H37 SXH 87 H37A SXH 87 1.200 16.186 4.208 642 H37A SXH 87 H37B SXH 87 0.503 17.788 4.390 643 H38 SXH 87 H38A SXH 87 1.916 17.276 6.277 644 H38A SXH 87 H38B SXH 87 0.234 17.448 6.795 645 HN41 SXH 87 H41A SXH 87 0.807 14.641 5.209 646 H42 SXH 87 H42A SXH 87 1.541 12.949 7.478 647 H42A SXH 87 H42B SXH 87 0.000 12.688 6.672 648 H43 SXH 87 H43A SXH 87 1.557 11.199 5.683 649 H43A SXH 87 H43B SXH 87 2.693 12.538 5.414 650 H2 SXH 87 H2A SXH 87 2.376 11.126 0.931 651 H2A SXH 87 H2B SXH 87 1.600 12.700 1.116 652 H3 SXH 87 H3A SXH 87 -0.466 11.538 1.818 653 H3A SXH 87 H3B SXH 87 0.337 9.994 1.510 654 H4 SXH 87 H4B SXH 87 -0.125 12.156 -0.536 655 H4A SXH 87 H4A SXH 87 0.626 10.586 -0.826 656 H5 SXH 87 H5A SXH 87 -2.209 11.048 0.108 657 H5A SXH 87 H5B SXH 87 -1.456 9.470 -0.185 658 H6 SXH 87 H6C SXH 87 -1.850 11.672 -2.209 659 H6A SXH 87 H6A SXH 87 -2.806 10.195 -2.092 660 H6B SXH 87 H6B SXH 87 -1.096 10.107 -2.520 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 17.530 -8.101 -2.705 2 H2 MET 1 HT2 MET 1 18.937 -7.611 -1.944 3 H3 MET 1 HT3 MET 1 17.598 -8.031 -1.015 4 HA MET 1 HA MET 1 19.229 -9.751 -2.771 5 HB2 MET 1 HB2 MET 1 20.438 -9.275 -0.747 6 HB3 MET 1 HB1 MET 1 19.029 -9.625 0.244 7 HG2 MET 1 HG2 MET 1 20.706 -11.411 0.330 8 HG3 MET 1 HG1 MET 1 19.165 -11.970 -0.310 9 HE1 MET 1 HE1 MET 1 22.883 -11.008 -1.150 10 HE2 MET 1 HE2 MET 1 21.978 -9.888 -2.170 11 HE3 MET 1 HE3 MET 1 22.914 -11.191 -2.904 12 H ALA 2 HN ALA 2 16.913 -10.322 -0.049 13 HA ALA 2 HA ALA 2 15.434 -12.020 -1.911 14 HB1 ALA 2 HB1 ALA 2 16.501 -13.016 0.719 15 HB2 ALA 2 HB2 ALA 2 17.122 -13.454 -0.872 16 HB3 ALA 2 HB3 ALA 2 15.484 -13.919 -0.404 17 H THR 3 HN THR 3 15.230 -9.579 0.222 18 HA THR 3 HA THR 3 12.828 -10.530 1.553 19 HB THR 3 HB THR 3 14.356 -7.955 1.753 20 HG1 THR 3 HG1 THR 3 15.627 -9.577 2.550 21 HG21 THR 3 HG21 THR 3 13.101 -7.629 3.875 22 HG22 THR 3 HG22 THR 3 12.205 -9.111 3.554 23 HG23 THR 3 HG23 THR 3 12.016 -7.719 2.487 24 H LEU 4 HN LEU 4 11.130 -10.450 0.204 25 HA LEU 4 HA LEU 4 10.644 -7.991 -1.264 26 HB2 LEU 4 HB2 LEU 4 10.447 -10.792 -2.369 27 HB3 LEU 4 HB1 LEU 4 9.794 -9.373 -3.156 28 HG LEU 4 HG LEU 4 12.732 -9.786 -2.569 29 HD11 LEU 4 HD11 LEU 4 12.950 -10.214 -4.959 30 HD12 LEU 4 HD12 LEU 4 11.199 -10.125 -5.138 31 HD13 LEU 4 HD13 LEU 4 11.924 -11.417 -4.181 32 HD21 LEU 4 HD21 LEU 4 13.042 -7.927 -4.124 33 HD22 LEU 4 HD22 LEU 4 12.072 -7.439 -2.733 34 HD23 LEU 4 HD23 LEU 4 11.295 -7.761 -4.283 35 H LEU 5 HN LEU 5 8.706 -7.323 -1.137 36 HA LEU 5 HA LEU 5 6.687 -8.636 0.468 37 HB2 LEU 5 HB2 LEU 5 7.303 -6.174 0.526 38 HB3 LEU 5 HB1 LEU 5 6.701 -6.045 -1.105 39 HG LEU 5 HG LEU 5 4.441 -6.735 -0.205 40 HD11 LEU 5 HD11 LEU 5 5.790 -6.148 2.417 41 HD12 LEU 5 HD12 LEU 5 5.262 -7.732 1.866 42 HD13 LEU 5 HD13 LEU 5 4.071 -6.463 2.174 43 HD21 LEU 5 HD21 LEU 5 4.996 -4.428 -0.764 44 HD22 LEU 5 HD22 LEU 5 5.687 -4.196 0.836 45 HD23 LEU 5 HD23 LEU 5 3.957 -4.501 0.656 46 H THR 6 HN THR 6 5.162 -9.972 -0.627 47 HA THR 6 HA THR 6 5.087 -9.535 -3.503 48 HB THR 6 HB THR 6 4.122 -11.803 -3.764 49 HG1 THR 6 HG1 THR 6 4.410 -11.914 -0.912 50 HG21 THR 6 HG21 THR 6 6.724 -11.727 -2.229 51 HG22 THR 6 HG22 THR 6 6.533 -11.514 -3.969 52 HG23 THR 6 HG23 THR 6 6.167 -13.071 -3.227 53 H THR 7 HN THR 7 2.736 -10.716 -4.225 54 HA THR 7 HA THR 7 0.926 -8.662 -4.174 55 HB THR 7 HB THR 7 0.322 -11.610 -4.482 56 HG1 THR 7 HG1 THR 7 1.717 -11.517 -6.048 57 HG21 THR 7 HG21 THR 7 -0.852 -9.148 -5.805 58 HG22 THR 7 HG22 THR 7 -1.640 -10.102 -4.549 59 HG23 THR 7 HG23 THR 7 -1.321 -10.818 -6.130 60 H ASP 8 HN ASP 8 0.727 -11.730 -2.318 61 HA ASP 8 HA ASP 8 -1.634 -10.998 -0.933 62 HB2 ASP 8 HB2 ASP 8 -1.034 -13.338 -1.263 63 HB3 ASP 8 HB1 ASP 8 0.410 -13.126 -0.286 64 H ASP 9 HN ASP 9 1.744 -10.682 -0.204 65 HA ASP 9 HA ASP 9 1.549 -10.014 2.554 66 HB2 ASP 9 HB2 ASP 9 3.654 -9.193 0.539 67 HB3 ASP 9 HB1 ASP 9 3.743 -8.900 2.265 68 H LEU 10 HN LEU 10 1.696 -8.053 -0.376 69 HA LEU 10 HA LEU 10 1.620 -5.533 0.888 70 HB2 LEU 10 HB2 LEU 10 2.353 -5.819 -1.420 71 HB3 LEU 10 HB1 LEU 10 0.754 -6.366 -1.882 72 HG LEU 10 HG LEU 10 -0.134 -4.111 -1.332 73 HD11 LEU 10 HD11 LEU 10 1.535 -3.412 0.276 74 HD12 LEU 10 HD12 LEU 10 1.412 -2.249 -1.046 75 HD13 LEU 10 HD13 LEU 10 2.763 -3.383 -0.991 76 HD21 LEU 10 HD21 LEU 10 0.440 -4.695 -3.618 77 HD22 LEU 10 HD22 LEU 10 2.103 -4.176 -3.347 78 HD23 LEU 10 HD23 LEU 10 0.794 -2.998 -3.301 79 H ARG 11 HN ARG 11 -0.878 -7.528 -0.598 80 HA ARG 11 HA ARG 11 -3.081 -5.913 -0.248 81 HB2 ARG 11 HB2 ARG 11 -3.147 -7.953 -1.532 82 HB3 ARG 11 HB1 ARG 11 -2.920 -8.907 -0.079 83 HG2 ARG 11 HG2 ARG 11 -5.084 -8.308 0.739 84 HG3 ARG 11 HG1 ARG 11 -5.303 -7.138 -0.571 85 HD2 ARG 11 HD2 ARG 11 -6.494 -9.247 -0.970 86 HD3 ARG 11 HD1 ARG 11 -5.283 -8.899 -2.202 87 HE ARG 11 HE ARG 11 -4.557 -10.633 0.023 88 HH11 ARG 11 HH11 ARG 11 -5.379 -10.307 -3.411 89 HH12 ARG 11 HH12 ARG 11 -4.783 -11.797 -3.888 90 HH21 ARG 11 HH21 ARG 11 -3.669 -12.738 -0.604 91 HH22 ARG 11 HH22 ARG 11 -3.830 -13.281 -2.205 92 H ARG 12 HN ARG 12 -1.743 -8.254 2.035 93 HA ARG 12 HA ARG 12 -3.628 -7.945 4.050 94 HB2 ARG 12 HB2 ARG 12 -0.701 -8.613 4.226 95 HB3 ARG 12 HB1 ARG 12 -1.802 -8.695 5.594 96 HG2 ARG 12 HG2 ARG 12 -3.116 -10.381 4.492 97 HG3 ARG 12 HG1 ARG 12 -2.124 -10.235 3.038 98 HD2 ARG 12 HD2 ARG 12 -1.511 -12.183 4.380 99 HD3 ARG 12 HD1 ARG 12 -0.191 -11.021 4.256 100 HE ARG 12 HE ARG 12 -0.901 -10.268 6.520 101 HH11 ARG 12 HH11 ARG 12 -1.792 -13.540 5.480 102 HH12 ARG 12 HH12 ARG 12 -1.592 -14.238 7.016 103 HH21 ARG 12 HH21 ARG 12 -0.614 -11.193 8.604 104 HH22 ARG 12 HH22 ARG 12 -0.829 -12.878 8.851 105 H ALA 13 HN ALA 13 -0.604 -6.171 3.556 106 HA ALA 13 HA ALA 13 -0.819 -4.572 5.880 107 HB1 ALA 13 HB1 ALA 13 1.278 -4.872 4.643 108 HB2 ALA 13 HB2 ALA 13 0.883 -3.165 4.843 109 HB3 ALA 13 HB3 ALA 13 0.606 -3.961 3.292 110 H LEU 14 HN LEU 14 -1.997 -4.173 2.616 111 HA LEU 14 HA LEU 14 -2.938 -1.518 2.865 112 HB2 LEU 14 HB2 LEU 14 -4.038 -3.720 1.112 113 HB3 LEU 14 HB1 LEU 14 -4.319 -2.007 0.910 114 HG LEU 14 HG LEU 14 -1.729 -3.486 0.468 115 HD11 LEU 14 HD11 LEU 14 -3.355 -3.813 -1.271 116 HD12 LEU 14 HD12 LEU 14 -2.035 -2.793 -1.840 117 HD13 LEU 14 HD13 LEU 14 -3.587 -2.070 -1.413 118 HD21 LEU 14 HD21 LEU 14 -1.241 -1.299 1.380 119 HD22 LEU 14 HD22 LEU 14 -2.307 -0.538 0.197 120 HD23 LEU 14 HD23 LEU 14 -0.830 -1.345 -0.334 121 H VAL 15 HN VAL 15 -4.638 -4.647 3.029 122 HA VAL 15 HA VAL 15 -7.113 -3.489 3.752 123 HB VAL 15 HB VAL 15 -6.849 -5.724 2.541 124 HG11 VAL 15 HG11 VAL 15 -5.184 -6.756 3.880 125 HG12 VAL 15 HG12 VAL 15 -6.639 -7.752 3.836 126 HG13 VAL 15 HG13 VAL 15 -6.270 -6.790 5.269 127 HG21 VAL 15 HG21 VAL 15 -9.023 -5.015 3.361 128 HG22 VAL 15 HG22 VAL 15 -8.667 -5.697 4.949 129 HG23 VAL 15 HG23 VAL 15 -8.832 -6.756 3.547 130 H GLU 16 HN GLU 16 -4.424 -4.408 5.662 131 HA GLU 16 HA GLU 16 -5.940 -4.499 8.074 132 HB2 GLU 16 HB2 GLU 16 -2.963 -4.272 7.616 133 HB3 GLU 16 HB1 GLU 16 -3.675 -4.256 9.222 134 HG2 GLU 16 HG2 GLU 16 -4.644 -6.484 8.776 135 HG3 GLU 16 HG1 GLU 16 -3.829 -6.499 7.213 136 H SER 17 HN SER 17 -4.368 -1.974 6.252 137 HA SER 17 HA SER 17 -4.749 -0.103 8.402 138 HB2 SER 17 HB2 SER 17 -3.972 0.635 5.539 139 HB3 SER 17 HB1 SER 17 -3.755 1.542 7.010 140 HG SER 17 HG SER 17 -2.342 -0.718 6.168 141 H ALA 18 HN ALA 18 -6.053 -0.324 5.051 142 HA ALA 18 HA ALA 18 -8.318 1.250 5.892 143 HB1 ALA 18 HB1 ALA 18 -7.473 1.508 3.589 144 HB2 ALA 18 HB2 ALA 18 -9.137 0.892 3.625 145 HB3 ALA 18 HB3 ALA 18 -7.801 -0.213 3.315 146 H GLY 19 HN GLY 19 -9.450 0.180 7.312 147 HA2 GLY 19 HA2 GLY 19 -9.636 -2.669 7.074 148 HA3 GLY 19 HA1 GLY 19 -10.222 -1.726 8.453 149 H GLU 20 HN GLU 20 -11.587 0.016 6.393 150 HA GLU 20 HA GLU 20 -14.000 -1.567 6.333 151 HB2 GLU 20 HB2 GLU 20 -13.546 1.302 5.474 152 HB3 GLU 20 HB1 GLU 20 -15.105 0.499 5.543 153 HG2 GLU 20 HG2 GLU 20 -13.297 1.065 7.884 154 HG3 GLU 20 HG1 GLU 20 -14.770 1.938 7.474 155 H THR 21 HN THR 21 -14.175 -2.943 4.818 156 HA THR 21 HA THR 21 -13.435 -2.266 2.056 157 HB THR 21 HB THR 21 -13.262 -4.989 3.389 158 HG1 THR 21 HG1 THR 21 -11.494 -2.837 3.262 159 HG21 THR 21 HG21 THR 21 -12.148 -3.934 0.780 160 HG22 THR 21 HG22 THR 21 -13.535 -5.010 0.938 161 HG23 THR 21 HG23 THR 21 -11.928 -5.566 1.410 162 H ASP 22 HN ASP 22 -15.461 -1.744 1.432 163 HA ASP 22 HA ASP 22 -17.885 -2.655 2.444 164 HB2 ASP 22 HB2 ASP 22 -17.719 -0.585 1.180 165 HB3 ASP 22 HB1 ASP 22 -17.354 -1.486 -0.289 166 H GLY 23 HN GLY 23 -16.618 -3.543 -0.751 167 HA2 GLY 23 HA2 GLY 23 -18.400 -5.903 -0.577 168 HA3 GLY 23 HA1 GLY 23 -18.090 -5.036 -2.076 169 H THR 24 HN THR 24 -15.806 -5.890 0.397 170 HA THR 24 HA THR 24 -13.884 -7.108 0.404 171 HB THR 24 HB THR 24 -15.054 -8.825 -1.824 172 HG1 THR 24 HG1 THR 24 -15.695 -8.901 0.976 173 HG21 THR 24 HG21 THR 24 -13.388 -9.510 0.613 174 HG22 THR 24 HG22 THR 24 -12.777 -9.379 -1.036 175 HG23 THR 24 HG23 THR 24 -13.926 -10.652 -0.621 176 H ASP 25 HN ASP 25 -14.294 -4.858 -1.349 177 HA ASP 25 HA ASP 25 -13.118 -5.081 -3.866 178 HB2 ASP 25 HB2 ASP 25 -12.730 -2.528 -3.462 179 HB3 ASP 25 HB1 ASP 25 -14.366 -3.163 -3.593 180 H LEU 26 HN LEU 26 -11.618 -3.787 -0.918 181 HA LEU 26 HA LEU 26 -9.009 -3.760 -2.050 182 HB2 LEU 26 HB2 LEU 26 -9.717 -2.246 -0.271 183 HB3 LEU 26 HB1 LEU 26 -9.923 -3.593 0.821 184 HG LEU 26 HG LEU 26 -7.502 -3.960 0.848 185 HD11 LEU 26 HD11 LEU 26 -6.968 -3.205 -1.409 186 HD12 LEU 26 HD12 LEU 26 -5.989 -2.365 -0.205 187 HD13 LEU 26 HD13 LEU 26 -7.362 -1.547 -0.952 188 HD21 LEU 26 HD21 LEU 26 -6.886 -1.937 2.033 189 HD22 LEU 26 HD22 LEU 26 -8.523 -2.448 2.457 190 HD23 LEU 26 HD23 LEU 26 -8.277 -1.104 1.343 191 H SER 27 HN SER 27 -10.684 -6.424 -1.508 192 HA SER 27 HA SER 27 -8.369 -7.931 -0.564 193 HB2 SER 27 HB2 SER 27 -11.294 -8.587 -0.226 194 HB3 SER 27 HB1 SER 27 -9.947 -9.583 0.334 195 HG SER 27 HG SER 27 -9.851 -6.959 1.110 196 H GLY 28 HN GLY 28 -8.044 -9.948 -1.616 197 HA2 GLY 28 HA2 GLY 28 -8.094 -11.401 -3.445 198 HA3 GLY 28 HA1 GLY 28 -9.529 -10.559 -4.026 199 H ASP 29 HN ASP 29 -9.221 -9.610 -5.913 200 HA ASP 29 HA ASP 29 -6.546 -9.000 -6.852 201 HB2 ASP 29 HB2 ASP 29 -9.239 -8.561 -8.175 202 HB3 ASP 29 HB1 ASP 29 -7.693 -8.211 -8.927 203 H PHE 30 HN PHE 30 -5.599 -7.159 -6.641 204 HA PHE 30 HA PHE 30 -7.152 -4.709 -6.101 205 HB2 PHE 30 HB2 PHE 30 -5.950 -4.235 -4.048 206 HB3 PHE 30 HB1 PHE 30 -6.675 -5.833 -3.905 207 HD1 PHE 30 HD1 PHE 30 -5.158 -7.860 -4.392 208 HD2 PHE 30 HD2 PHE 30 -3.665 -3.946 -3.712 209 HE1 PHE 30 HE1 PHE 30 -2.938 -8.788 -3.945 210 HE2 PHE 30 HE2 PHE 30 -1.442 -4.872 -3.260 211 HZ PHE 30 HZ PHE 30 -1.075 -7.290 -3.380 212 H LEU 31 HN LEU 31 -4.199 -6.329 -7.055 213 HA LEU 31 HA LEU 31 -2.257 -4.433 -6.802 214 HB2 LEU 31 HB2 LEU 31 -1.964 -6.818 -7.358 215 HB3 LEU 31 HB1 LEU 31 -2.463 -6.467 -9.000 216 HG LEU 31 HG LEU 31 -0.564 -4.851 -9.099 217 HD11 LEU 31 HD11 LEU 31 0.281 -6.316 -6.602 218 HD12 LEU 31 HD12 LEU 31 -0.126 -4.606 -6.737 219 HD13 LEU 31 HD13 LEU 31 1.313 -5.235 -7.539 220 HD21 LEU 31 HD21 LEU 31 -0.483 -6.979 -10.234 221 HD22 LEU 31 HD22 LEU 31 0.073 -7.783 -8.760 222 HD23 LEU 31 HD23 LEU 31 1.106 -6.600 -9.573 223 H ASP 32 HN ASP 32 -4.416 -4.863 -9.564 224 HA ASP 32 HA ASP 32 -3.102 -2.599 -10.921 225 HB2 ASP 32 HB2 ASP 32 -3.516 -4.904 -12.000 226 HB3 ASP 32 HB1 ASP 32 -5.196 -4.401 -12.113 227 H LEU 33 HN LEU 33 -5.450 -2.878 -8.771 228 HA LEU 33 HA LEU 33 -7.461 -1.296 -10.130 229 HB2 LEU 33 HB2 LEU 33 -7.423 -2.588 -7.402 230 HB3 LEU 33 HB1 LEU 33 -8.684 -1.482 -7.890 231 HG LEU 33 HG LEU 33 -9.514 -3.703 -8.105 232 HD11 LEU 33 HD11 LEU 33 -10.258 -2.197 -9.809 233 HD12 LEU 33 HD12 LEU 33 -10.117 -3.829 -10.463 234 HD13 LEU 33 HD13 LEU 33 -8.882 -2.621 -10.827 235 HD21 LEU 33 HD21 LEU 33 -7.425 -4.951 -8.251 236 HD22 LEU 33 HD22 LEU 33 -7.146 -4.327 -9.878 237 HD23 LEU 33 HD23 LEU 33 -8.510 -5.406 -9.565 238 H ARG 34 HN ARG 34 -8.315 0.627 -9.088 239 HA ARG 34 HA ARG 34 -6.163 2.465 -8.482 240 HB2 ARG 34 HB2 ARG 34 -9.158 2.914 -8.409 241 HB3 ARG 34 HB1 ARG 34 -7.912 4.144 -8.483 242 HG2 ARG 34 HG2 ARG 34 -8.433 2.130 -10.662 243 HG3 ARG 34 HG1 ARG 34 -9.106 3.758 -10.624 244 HD2 ARG 34 HD2 ARG 34 -6.182 3.061 -10.659 245 HD3 ARG 34 HD1 ARG 34 -7.126 3.601 -12.050 246 HE ARG 34 HE ARG 34 -7.394 5.481 -9.971 247 HH11 ARG 34 HH11 ARG 34 -5.054 4.401 -12.394 248 HH12 ARG 34 HH12 ARG 34 -4.107 5.811 -12.293 249 HH21 ARG 34 HH21 ARG 34 -6.237 7.360 -9.870 250 HH22 ARG 34 HH22 ARG 34 -4.794 7.588 -10.739 251 H PHE 35 HN PHE 35 -5.488 2.938 -6.378 252 HA PHE 35 HA PHE 35 -6.478 1.848 -4.017 253 HB2 PHE 35 HB2 PHE 35 -5.107 4.500 -4.468 254 HB3 PHE 35 HB1 PHE 35 -5.614 4.001 -2.865 255 HD1 PHE 35 HD1 PHE 35 -4.762 1.550 -2.223 256 HD2 PHE 35 HD2 PHE 35 -2.942 4.135 -5.065 257 HE1 PHE 35 HE1 PHE 35 -2.614 0.413 -1.870 258 HE2 PHE 35 HE2 PHE 35 -0.791 2.997 -4.730 259 HZ PHE 35 HZ PHE 35 -0.620 1.136 -3.126 260 H GLU 36 HN GLU 36 -7.461 4.638 -5.691 261 HA GLU 36 HA GLU 36 -9.094 6.080 -4.040 262 HB2 GLU 36 HB2 GLU 36 -9.564 5.495 -6.953 263 HB3 GLU 36 HB1 GLU 36 -10.118 6.905 -6.062 264 HG2 GLU 36 HG2 GLU 36 -7.906 7.743 -5.840 265 HG3 GLU 36 HG1 GLU 36 -7.197 6.244 -6.429 266 H ASP 37 HN ASP 37 -9.936 3.149 -5.903 267 HA ASP 37 HA ASP 37 -12.711 3.384 -5.048 268 HB2 ASP 37 HB2 ASP 37 -12.266 2.789 -7.401 269 HB3 ASP 37 HB1 ASP 37 -11.464 1.315 -6.871 270 H ILE 38 HN ILE 38 -9.878 1.634 -4.190 271 HA ILE 38 HA ILE 38 -11.467 -0.440 -2.922 272 HB ILE 38 HB ILE 38 -9.284 -1.611 -2.506 273 HG12 ILE 38 HG12 ILE 38 -8.181 0.611 -4.261 274 HG13 ILE 38 HG11 ILE 38 -7.784 0.336 -2.568 275 HG21 ILE 38 HG21 ILE 38 -9.005 -2.316 -4.840 276 HG22 ILE 38 HG22 ILE 38 -9.978 -0.939 -5.359 277 HG23 ILE 38 HG23 ILE 38 -10.702 -2.202 -4.365 278 HD11 ILE 38 HD11 ILE 38 -7.134 -1.507 -4.867 279 HD12 ILE 38 HD12 ILE 38 -6.725 -1.786 -3.174 280 HD13 ILE 38 HD13 ILE 38 -6.006 -0.431 -4.043 281 H GLY 39 HN GLY 39 -11.908 1.784 -1.678 282 HA2 GLY 39 HA2 GLY 39 -12.351 2.230 0.569 283 HA3 GLY 39 HA1 GLY 39 -11.149 1.035 1.006 284 H TYR 40 HN TYR 40 -9.729 3.177 -1.118 285 HA TYR 40 HA TYR 40 -8.512 4.467 1.176 286 HB2 TYR 40 HB2 TYR 40 -7.525 4.072 -1.614 287 HB3 TYR 40 HB1 TYR 40 -6.797 5.274 -0.561 288 HD1 TYR 40 HD1 TYR 40 -7.617 1.700 -0.830 289 HD2 TYR 40 HD2 TYR 40 -5.129 4.609 0.997 290 HE1 TYR 40 HE1 TYR 40 -6.237 -0.087 0.110 291 HE2 TYR 40 HE2 TYR 40 -3.735 2.811 1.950 292 HH TYR 40 HH TYR 40 -4.101 -0.482 0.955 293 H ASP 41 HN ASP 41 -8.903 6.339 1.765 294 HA ASP 41 HA ASP 41 -10.093 8.383 0.086 295 HB2 ASP 41 HB2 ASP 41 -10.877 8.431 2.322 296 HB3 ASP 41 HB1 ASP 41 -9.279 8.141 2.972 297 H SER 42 HN SER 42 -7.375 8.420 2.219 298 HA SER 42 HA SER 42 -5.227 8.518 0.533 299 HB2 SER 42 HB2 SER 42 -4.573 10.904 0.467 300 HB3 SER 42 HB1 SER 42 -6.127 10.655 -0.342 301 H LEU 43 HN LEU 43 -6.731 9.733 3.441 302 HA LEU 43 HA LEU 43 -4.472 9.901 5.075 303 HB2 LEU 43 HB2 LEU 43 -6.854 10.607 5.599 304 HB3 LEU 43 HB1 LEU 43 -7.207 8.926 5.913 305 HG LEU 43 HG LEU 43 -5.083 10.404 7.465 306 HD11 LEU 43 HD11 LEU 43 -7.119 11.650 7.625 307 HD12 LEU 43 HD12 LEU 43 -6.775 10.836 9.158 308 HD13 LEU 43 HD13 LEU 43 -8.019 10.199 8.068 309 HD21 LEU 43 HD21 LEU 43 -5.101 7.949 7.663 310 HD22 LEU 43 HD22 LEU 43 -6.798 8.003 8.129 311 HD23 LEU 43 HD23 LEU 43 -5.573 8.720 9.178 312 H ALA 44 HN ALA 44 -6.555 7.161 4.274 313 HA ALA 44 HA ALA 44 -5.214 5.182 5.724 314 HB1 ALA 44 HB1 ALA 44 -6.315 3.578 4.254 315 HB2 ALA 44 HB2 ALA 44 -6.699 4.866 3.111 316 HB3 ALA 44 HB3 ALA 44 -7.437 4.862 4.710 317 H LEU 45 HN LEU 45 -4.479 6.684 2.671 318 HA LEU 45 HA LEU 45 -2.706 4.660 1.736 319 HB2 LEU 45 HB2 LEU 45 -3.790 6.290 0.224 320 HB3 LEU 45 HB1 LEU 45 -2.866 7.579 0.963 321 HG LEU 45 HG LEU 45 -0.785 6.543 0.116 322 HD11 LEU 45 HD11 LEU 45 -2.657 4.642 -1.292 323 HD12 LEU 45 HD12 LEU 45 -1.534 4.231 0.003 324 HD13 LEU 45 HD13 LEU 45 -0.918 4.771 -1.560 325 HD21 LEU 45 HD21 LEU 45 -1.890 8.307 -1.157 326 HD22 LEU 45 HD22 LEU 45 -2.876 7.103 -1.988 327 HD23 LEU 45 HD23 LEU 45 -1.128 7.137 -2.234 328 H MET 46 HN MET 46 -2.273 7.759 3.396 329 HA MET 46 HA MET 46 0.538 7.490 3.551 330 HB2 MET 46 HB2 MET 46 0.556 9.374 5.064 331 HB3 MET 46 HB1 MET 46 -0.626 9.694 3.819 332 HG2 MET 46 HG2 MET 46 -2.425 9.199 5.346 333 HG3 MET 46 HG1 MET 46 -1.274 8.703 6.584 334 HE1 MET 46 HE1 MET 46 -2.732 12.051 8.035 335 HE2 MET 46 HE2 MET 46 -2.424 10.346 8.353 336 HE3 MET 46 HE3 MET 46 -3.596 10.814 7.121 337 H GLU 47 HN GLU 47 -2.137 6.411 5.665 338 HA GLU 47 HA GLU 47 -0.679 5.790 7.899 339 HB2 GLU 47 HB2 GLU 47 -3.016 6.112 8.011 340 HB3 GLU 47 HB1 GLU 47 -3.284 5.038 6.667 341 HG2 GLU 47 HG2 GLU 47 -2.811 3.299 7.771 342 HG3 GLU 47 HG1 GLU 47 -2.196 4.076 9.259 343 H THR 48 HN THR 48 -1.646 3.949 5.050 344 HA THR 48 HA THR 48 -0.638 1.443 5.795 345 HB THR 48 HB THR 48 -0.839 2.646 3.009 346 HG1 THR 48 HG1 THR 48 -2.847 2.671 4.095 347 HG21 THR 48 HG21 THR 48 -1.010 0.340 2.256 348 HG22 THR 48 HG22 THR 48 -0.823 -0.239 3.912 349 HG23 THR 48 HG23 THR 48 0.515 0.590 3.106 350 H ALA 49 HN ALA 49 0.803 4.056 3.840 351 HA ALA 49 HA ALA 49 3.279 2.923 3.340 352 HB1 ALA 49 HB1 ALA 49 2.421 4.902 2.206 353 HB2 ALA 49 HB2 ALA 49 4.031 5.182 2.871 354 HB3 ALA 49 HB3 ALA 49 2.610 5.836 3.690 355 H ALA 50 HN ALA 50 2.301 5.100 5.987 356 HA ALA 50 HA ALA 50 4.728 5.399 7.275 357 HB1 ALA 50 HB1 ALA 50 2.728 6.708 7.783 358 HB2 ALA 50 HB2 ALA 50 3.439 6.011 9.239 359 HB3 ALA 50 HB3 ALA 50 1.994 5.290 8.533 360 H ARG 51 HN ARG 51 2.286 2.910 7.686 361 HA ARG 51 HA ARG 51 3.489 1.559 9.855 362 HB2 ARG 51 HB2 ARG 51 1.134 1.285 9.238 363 HB3 ARG 51 HB1 ARG 51 1.609 0.551 7.714 364 HG2 ARG 51 HG2 ARG 51 2.550 -1.340 8.905 365 HG3 ARG 51 HG1 ARG 51 2.138 -0.582 10.448 366 HD2 ARG 51 HD2 ARG 51 -0.229 -0.636 9.843 367 HD3 ARG 51 HD1 ARG 51 0.189 -1.373 8.301 368 HE ARG 51 HE ARG 51 1.280 -3.047 10.090 369 HH11 ARG 51 HH11 ARG 51 -1.959 -1.635 9.967 370 HH12 ARG 51 HH12 ARG 51 -2.763 -3.043 10.473 371 HH21 ARG 51 HH21 ARG 51 0.164 -5.041 10.742 372 HH22 ARG 51 HH22 ARG 51 -1.521 -5.078 10.779 373 H LEU 52 HN LEU 52 3.734 1.215 6.367 374 HA LEU 52 HA LEU 52 5.348 -1.097 6.376 375 HB2 LEU 52 HB2 LEU 52 5.080 1.068 4.290 376 HB3 LEU 52 HB1 LEU 52 5.898 -0.462 4.033 377 HG LEU 52 HG LEU 52 2.965 -0.147 4.672 378 HD11 LEU 52 HD11 LEU 52 3.487 0.674 2.450 379 HD12 LEU 52 HD12 LEU 52 2.584 -0.838 2.374 380 HD13 LEU 52 HD13 LEU 52 4.323 -0.833 2.075 381 HD21 LEU 52 HD21 LEU 52 3.888 -2.238 5.510 382 HD22 LEU 52 HD22 LEU 52 4.569 -2.587 3.920 383 HD23 LEU 52 HD23 LEU 52 2.819 -2.527 4.138 384 H GLU 53 HN GLU 53 6.109 2.343 6.362 385 HA GLU 53 HA GLU 53 8.913 2.192 6.193 386 HB2 GLU 53 HB2 GLU 53 7.268 4.148 7.801 387 HB3 GLU 53 HB1 GLU 53 8.958 4.336 7.397 388 HG2 GLU 53 HG2 GLU 53 8.325 4.439 5.014 389 HG3 GLU 53 HG1 GLU 53 6.628 4.363 5.505 390 H SER 54 HN SER 54 6.791 2.226 9.031 391 HA SER 54 HA SER 54 8.804 2.089 10.956 392 HB2 SER 54 HB2 SER 54 5.926 1.178 11.137 393 HB3 SER 54 HB1 SER 54 6.997 1.472 12.509 394 HG SER 54 HG SER 54 7.140 3.620 11.026 395 H ARG 55 HN ARG 55 6.931 -0.498 9.403 396 HA ARG 55 HA ARG 55 8.027 -2.569 10.975 397 HB2 ARG 55 HB2 ARG 55 5.938 -2.866 9.716 398 HB3 ARG 55 HB1 ARG 55 6.848 -2.786 8.206 399 HG2 ARG 55 HG2 ARG 55 8.177 -4.760 9.018 400 HG3 ARG 55 HG1 ARG 55 7.029 -4.893 10.345 401 HD2 ARG 55 HD2 ARG 55 6.384 -5.050 7.412 402 HD3 ARG 55 HD1 ARG 55 6.523 -6.415 8.511 403 HE ARG 55 HE ARG 55 4.620 -4.773 9.605 404 HH11 ARG 55 HH11 ARG 55 5.050 -6.429 6.476 405 HH12 ARG 55 HH12 ARG 55 3.415 -6.757 6.262 406 HH21 ARG 55 HH21 ARG 55 2.372 -5.177 9.282 407 HH22 ARG 55 HH22 ARG 55 1.802 -5.991 7.884 408 H TYR 56 HN TYR 56 8.840 -1.484 7.675 409 HA TYR 56 HA TYR 56 10.868 -3.524 7.584 410 HB2 TYR 56 HB2 TYR 56 9.975 -1.580 5.468 411 HB3 TYR 56 HB1 TYR 56 11.166 -2.861 5.231 412 HD1 TYR 56 HD2 TYR 56 10.319 -5.264 6.043 413 HD2 TYR 56 HD1 TYR 56 7.803 -2.038 4.896 414 HE1 TYR 56 HE2 TYR 56 8.526 -6.857 5.510 415 HE2 TYR 56 HE1 TYR 56 6.009 -3.617 4.359 416 HH TYR 56 HH TYR 56 5.991 -6.777 5.326 417 H GLY 57 HN GLY 57 10.813 -0.218 8.376 418 HA2 GLY 57 HA2 GLY 57 12.581 1.059 9.108 419 HA3 GLY 57 HA1 GLY 57 13.669 -0.274 8.718 420 H VAL 58 HN VAL 58 11.435 1.779 6.934 421 HA VAL 58 HA VAL 58 13.597 2.545 5.152 422 HB VAL 58 HB VAL 58 12.190 2.285 3.129 423 HG11 VAL 58 HG11 VAL 58 12.145 -0.135 2.945 424 HG12 VAL 58 HG12 VAL 58 12.281 -0.257 4.699 425 HG13 VAL 58 HG13 VAL 58 13.625 0.408 3.759 426 HG21 VAL 58 HG21 VAL 58 10.154 0.998 4.950 427 HG22 VAL 58 HG22 VAL 58 10.070 1.062 3.192 428 HG23 VAL 58 HG23 VAL 58 9.972 2.556 4.131 429 H SER 59 HN SER 59 12.711 4.416 3.682 430 HA SER 59 HA SER 59 10.840 6.037 5.236 431 HB2 SER 59 HB2 SER 59 12.320 8.009 4.638 432 HB3 SER 59 HB1 SER 59 13.000 6.894 5.826 433 HG SER 59 HG SER 59 13.533 6.361 3.168 434 H ILE 60 HN ILE 60 9.203 6.546 4.008 435 HA ILE 60 HA ILE 60 9.521 6.346 1.115 436 HB ILE 60 HB ILE 60 6.970 6.449 2.757 437 HG12 ILE 60 HG12 ILE 60 8.313 4.112 1.368 438 HG13 ILE 60 HG11 ILE 60 8.291 4.384 3.105 439 HG21 ILE 60 HG21 ILE 60 5.872 5.782 0.655 440 HG22 ILE 60 HG22 ILE 60 7.418 5.898 -0.186 441 HG23 ILE 60 HG23 ILE 60 6.672 7.343 0.496 442 HD11 ILE 60 HD11 ILE 60 6.670 2.703 2.443 443 HD12 ILE 60 HD12 ILE 60 5.886 3.863 1.371 444 HD13 ILE 60 HD13 ILE 60 5.869 4.121 3.116 445 HA PRO 61 HA PRO 61 9.670 10.839 1.140 446 HB2 PRO 61 HB2 PRO 61 9.537 10.355 -1.791 447 HB3 PRO 61 HB1 PRO 61 10.711 11.297 -0.863 448 HG2 PRO 61 HG2 PRO 61 11.378 8.933 -1.880 449 HG3 PRO 61 HG1 PRO 61 11.947 9.430 -0.275 450 HD2 PRO 61 HD2 PRO 61 9.728 7.557 -1.002 451 HD3 PRO 61 HD1 PRO 61 10.946 7.413 0.284 452 H ASP 62 HN ASP 62 8.179 12.361 0.841 453 HA ASP 62 HA ASP 62 5.449 11.686 0.767 454 HB2 ASP 62 HB2 ASP 62 6.714 14.400 0.364 455 HB3 ASP 62 HB1 ASP 62 5.007 14.119 0.677 456 H ASP 63 HN ASP 63 7.620 12.321 -1.758 457 HA ASP 63 HA ASP 63 5.892 13.343 -3.781 458 HB2 ASP 63 HB2 ASP 63 8.375 11.682 -4.216 459 HB3 ASP 63 HB1 ASP 63 7.681 12.878 -5.293 460 H VAL 64 HN VAL 64 6.380 10.249 -2.414 461 HA VAL 64 HA VAL 64 5.904 8.697 -4.754 462 HB VAL 64 HB VAL 64 5.882 7.877 -1.833 463 HG11 VAL 64 HG11 VAL 64 6.121 5.573 -2.631 464 HG12 VAL 64 HG12 VAL 64 5.935 6.130 -4.294 465 HG13 VAL 64 HG13 VAL 64 4.596 6.289 -3.155 466 HG21 VAL 64 HG21 VAL 64 8.098 6.967 -2.318 467 HG22 VAL 64 HG22 VAL 64 8.033 8.707 -2.582 468 HG23 VAL 64 HG23 VAL 64 7.999 7.604 -3.959 469 H ALA 65 HN ALA 65 3.890 10.151 -2.358 470 HA ALA 65 HA ALA 65 1.655 8.454 -2.531 471 HB1 ALA 65 HB1 ALA 65 1.987 10.061 -0.726 472 HB2 ALA 65 HB2 ALA 65 0.406 10.259 -1.483 473 HB3 ALA 65 HB3 ALA 65 1.716 11.393 -1.853 474 H GLY 66 HN GLY 66 2.748 11.032 -4.558 475 HA2 GLY 66 HA2 GLY 66 0.257 10.898 -6.080 476 HA3 GLY 66 HA1 GLY 66 1.452 12.183 -6.180 477 H ARG 67 HN ARG 67 2.533 8.893 -6.166 478 HA ARG 67 HA ARG 67 2.516 8.763 -9.067 479 HB2 ARG 67 HB2 ARG 67 4.917 8.208 -9.212 480 HB3 ARG 67 HB1 ARG 67 4.654 9.839 -8.621 481 HG2 ARG 67 HG2 ARG 67 5.043 9.014 -6.330 482 HG3 ARG 67 HG1 ARG 67 5.431 7.429 -7.004 483 HD2 ARG 67 HD2 ARG 67 7.475 8.642 -6.589 484 HD3 ARG 67 HD1 ARG 67 7.239 8.471 -8.327 485 HE ARG 67 HE ARG 67 6.133 10.904 -7.533 486 HH11 ARG 67 HH11 ARG 67 9.369 9.391 -7.855 487 HH12 ARG 67 HH12 ARG 67 10.145 10.909 -7.999 488 HH21 ARG 67 HH21 ARG 67 7.330 12.958 -7.716 489 HH22 ARG 67 HH22 ARG 67 9.030 12.888 -7.912 490 H VAL 68 HN VAL 68 1.262 7.406 -6.773 491 HA VAL 68 HA VAL 68 1.603 4.764 -7.801 492 HB VAL 68 HB VAL 68 1.616 3.651 -5.549 493 HG11 VAL 68 HG11 VAL 68 3.713 3.837 -6.672 494 HG12 VAL 68 HG12 VAL 68 3.951 4.016 -4.931 495 HG13 VAL 68 HG13 VAL 68 3.986 5.435 -5.978 496 HG21 VAL 68 HG21 VAL 68 2.159 6.393 -4.406 497 HG22 VAL 68 HG22 VAL 68 2.324 4.861 -3.556 498 HG23 VAL 68 HG23 VAL 68 0.724 5.392 -4.102 499 H ASP 69 HN ASP 69 -0.255 4.864 -8.748 500 HA ASP 69 HA ASP 69 -2.673 5.770 -7.358 501 HB2 ASP 69 HB2 ASP 69 -2.216 4.885 -10.216 502 HB3 ASP 69 HB1 ASP 69 -3.733 5.483 -9.576 503 H THR 70 HN THR 70 -1.083 3.039 -8.709 504 HA THR 70 HA THR 70 -3.222 1.273 -7.778 505 HB THR 70 HB THR 70 -2.239 -0.411 -9.364 506 HG1 THR 70 HG1 THR 70 -0.580 1.812 -10.031 507 HG21 THR 70 HG21 THR 70 -4.172 0.929 -10.068 508 HG22 THR 70 HG22 THR 70 -3.101 0.609 -11.435 509 HG23 THR 70 HG23 THR 70 -3.088 2.192 -10.655 510 HA PRO 71 HA PRO 71 -0.513 -0.282 -4.598 511 HB2 PRO 71 HB2 PRO 71 -1.497 -2.958 -5.483 512 HB3 PRO 71 HB1 PRO 71 -1.454 -2.259 -3.855 513 HG2 PRO 71 HG2 PRO 71 -3.742 -2.389 -5.157 514 HG3 PRO 71 HG1 PRO 71 -3.323 -0.923 -4.246 515 HD2 PRO 71 HD2 PRO 71 -3.219 -1.418 -7.194 516 HD3 PRO 71 HD1 PRO 71 -3.748 0.031 -6.314 517 H ARG 72 HN ARG 72 -0.500 -1.700 -7.772 518 HA ARG 72 HA ARG 72 1.702 -3.340 -7.935 519 HB2 ARG 72 HB2 ARG 72 0.126 -2.698 -9.768 520 HB3 ARG 72 HB1 ARG 72 0.986 -1.172 -9.905 521 HG2 ARG 72 HG2 ARG 72 3.058 -2.769 -10.228 522 HG3 ARG 72 HG1 ARG 72 1.801 -3.901 -10.739 523 HD2 ARG 72 HD2 ARG 72 2.431 -1.191 -11.876 524 HD3 ARG 72 HD1 ARG 72 2.586 -2.745 -12.680 525 HE ARG 72 HE ARG 72 0.070 -2.848 -12.362 526 HH11 ARG 72 HH11 ARG 72 1.854 0.202 -12.997 527 HH12 ARG 72 HH12 ARG 72 0.512 0.964 -13.733 528 HH21 ARG 72 HH21 ARG 72 -1.744 -1.714 -13.454 529 HH22 ARG 72 HH22 ARG 72 -1.503 -0.093 -13.961 530 H GLU 73 HN GLU 73 1.579 0.144 -8.276 531 HA GLU 73 HA GLU 73 4.316 0.627 -8.771 532 HB2 GLU 73 HB2 GLU 73 2.173 2.490 -7.770 533 HB3 GLU 73 HB1 GLU 73 3.677 2.947 -8.562 534 HG2 GLU 73 HG2 GLU 73 2.987 1.956 -10.613 535 HG3 GLU 73 HG1 GLU 73 1.569 1.246 -9.850 536 H LEU 74 HN LEU 74 2.306 0.752 -5.894 537 HA LEU 74 HA LEU 74 4.245 1.913 -4.176 538 HB2 LEU 74 HB2 LEU 74 1.739 1.929 -3.818 539 HB3 LEU 74 HB1 LEU 74 1.824 0.233 -3.437 540 HG LEU 74 HG LEU 74 1.556 1.772 -1.455 541 HD11 LEU 74 HD11 LEU 74 4.029 0.077 -1.415 542 HD12 LEU 74 HD12 LEU 74 2.380 -0.467 -1.108 543 HD13 LEU 74 HD13 LEU 74 3.152 0.674 -0.005 544 HD21 LEU 74 HD21 LEU 74 2.968 3.596 -2.205 545 HD22 LEU 74 HD22 LEU 74 4.390 2.556 -2.121 546 HD23 LEU 74 HD23 LEU 74 3.522 2.984 -0.646 547 H LEU 75 HN LEU 75 3.342 -1.362 -4.990 548 HA LEU 75 HA LEU 75 4.783 -2.863 -3.169 549 HB2 LEU 75 HB2 LEU 75 3.179 -3.731 -4.847 550 HB3 LEU 75 HB1 LEU 75 4.362 -3.431 -6.101 551 HG LEU 75 HG LEU 75 5.864 -5.087 -5.013 552 HD11 LEU 75 HD11 LEU 75 3.454 -5.611 -3.287 553 HD12 LEU 75 HD12 LEU 75 4.990 -4.926 -2.761 554 HD13 LEU 75 HD13 LEU 75 4.920 -6.590 -3.342 555 HD21 LEU 75 HD21 LEU 75 4.436 -5.718 -6.890 556 HD22 LEU 75 HD22 LEU 75 3.124 -6.095 -5.773 557 HD23 LEU 75 HD23 LEU 75 4.606 -7.050 -5.746 558 H ASP 76 HN ASP 76 5.817 -1.689 -6.361 559 HA ASP 76 HA ASP 76 8.464 -2.601 -6.263 560 HB2 ASP 76 HB2 ASP 76 7.397 -0.192 -7.731 561 HB3 ASP 76 HB1 ASP 76 9.014 -0.847 -7.942 562 H LEU 77 HN LEU 77 7.033 0.370 -5.011 563 HA LEU 77 HA LEU 77 9.445 1.708 -4.522 564 HB2 LEU 77 HB2 LEU 77 7.166 2.746 -4.576 565 HB3 LEU 77 HB1 LEU 77 6.794 1.960 -3.068 566 HG LEU 77 HG LEU 77 7.299 4.412 -2.929 567 HD11 LEU 77 HD11 LEU 77 8.695 4.309 -0.929 568 HD12 LEU 77 HD12 LEU 77 9.119 2.638 -1.315 569 HD13 LEU 77 HD13 LEU 77 7.452 3.057 -0.924 570 HD21 LEU 77 HD21 LEU 77 9.638 5.119 -3.013 571 HD22 LEU 77 HD22 LEU 77 9.063 4.521 -4.569 572 HD23 LEU 77 HD23 LEU 77 10.096 3.507 -3.561 573 H ILE 78 HN ILE 78 7.481 -0.419 -2.512 574 HA ILE 78 HA ILE 78 9.122 -0.241 -0.204 575 HB ILE 78 HB ILE 78 7.219 -2.451 -1.042 576 HG12 ILE 78 HG12 ILE 78 6.086 -0.307 -0.825 577 HG13 ILE 78 HG11 ILE 78 5.635 -1.362 0.508 578 HG21 ILE 78 HG21 ILE 78 8.423 -1.888 1.672 579 HG22 ILE 78 HG22 ILE 78 8.789 -3.267 0.639 580 HG23 ILE 78 HG23 ILE 78 7.176 -3.089 1.335 581 HD11 ILE 78 HD11 ILE 78 7.191 -0.160 1.973 582 HD12 ILE 78 HD12 ILE 78 5.988 0.918 1.271 583 HD13 ILE 78 HD13 ILE 78 7.631 0.893 0.630 584 H ASN 79 HN ASN 79 8.903 -2.651 -2.795 585 HA ASN 79 HA ASN 79 10.916 -4.337 -1.802 586 HB2 ASN 79 HB2 ASN 79 9.731 -4.033 -4.546 587 HB3 ASN 79 HB1 ASN 79 11.030 -5.181 -4.226 588 HD21 ASN 79 HD21 ASN 79 8.226 -5.633 -4.998 589 HD22 ASN 79 HD22 ASN 79 7.576 -6.658 -3.761 590 H GLY 80 HN GLY 80 11.144 -1.556 -3.931 591 HA2 GLY 80 HA2 GLY 80 13.882 -1.908 -4.563 592 HA3 GLY 80 HA1 GLY 80 12.953 -0.420 -4.714 593 H ALA 81 HN ALA 81 12.154 -0.168 -2.027 594 HA ALA 81 HA ALA 81 14.456 1.063 -0.926 595 HB1 ALA 81 HB1 ALA 81 13.018 1.600 0.982 596 HB2 ALA 81 HB2 ALA 81 11.794 0.482 0.382 597 HB3 ALA 81 HB3 ALA 81 12.192 1.931 -0.541 598 H LEU 82 HN LEU 82 12.757 -1.949 -0.293 599 HA LEU 82 HA LEU 82 14.209 -2.803 1.943 600 HB2 LEU 82 HB2 LEU 82 12.916 -4.396 -0.269 601 HB3 LEU 82 HB1 LEU 82 13.616 -5.130 1.157 602 HG LEU 82 HG LEU 82 11.308 -3.179 1.183 603 HD11 LEU 82 HD11 LEU 82 10.698 -5.315 0.146 604 HD12 LEU 82 HD12 LEU 82 9.946 -5.134 1.729 605 HD13 LEU 82 HD13 LEU 82 11.352 -6.180 1.537 606 HD21 LEU 82 HD21 LEU 82 11.091 -3.871 3.515 607 HD22 LEU 82 HD22 LEU 82 12.663 -3.127 3.211 608 HD23 LEU 82 HD23 LEU 82 12.529 -4.880 3.351 609 H ALA 83 HN ALA 83 14.878 -3.140 -1.497 610 HA ALA 83 HA ALA 83 17.155 -4.790 -1.294 611 HB1 ALA 83 HB1 ALA 83 15.892 -4.487 -3.370 612 HB2 ALA 83 HB2 ALA 83 17.606 -4.146 -3.598 613 HB3 ALA 83 HB3 ALA 83 16.451 -2.817 -3.463 614 H GLU 84 HN GLU 84 16.721 -1.477 -0.690 615 HA GLU 84 HA GLU 84 19.448 -0.646 -1.039 616 HB2 GLU 84 HB2 GLU 84 17.568 0.905 -1.237 617 HB3 GLU 84 HB1 GLU 84 17.138 0.616 0.440 618 HG2 GLU 84 HG2 GLU 84 19.321 1.564 1.103 619 HG3 GLU 84 HG1 GLU 84 19.622 1.951 -0.592 620 H ALA 85 HN ALA 85 17.461 -1.919 1.508 621 HA ALA 85 HA ALA 85 19.435 -1.396 3.565 622 HB1 ALA 85 HB1 ALA 85 17.056 -1.124 4.105 623 HB2 ALA 85 HB2 ALA 85 17.790 -2.392 5.085 624 HB3 ALA 85 HB3 ALA 85 16.771 -2.820 3.711 625 H ALA 86 HN ALA 86 17.719 -4.222 2.244 626 HA ALA 86 HA ALA 86 20.064 -5.784 2.047 627 HB1 ALA 86 HB1 ALA 86 19.378 -7.549 3.622 628 HB2 ALA 86 HB2 ALA 86 18.030 -6.545 4.162 629 HB3 ALA 86 HB3 ALA 86 19.689 -6.031 4.469 630 H28 SXH 87 H28B SXH 87 -3.865 11.983 2.706 631 H28A SXH 87 H28A SXH 87 -3.652 13.718 2.938 632 H30 SXH 87 H30C SXH 87 -1.663 11.734 3.696 633 H30A SXH 87 H30A SXH 87 -1.450 13.481 3.787 634 H30B SXH 87 H30B SXH 87 -0.239 12.484 2.975 635 H31 SXH 87 H31A SXH 87 -2.433 11.580 0.116 636 H31A SXH 87 H31C SXH 87 -0.800 11.396 0.760 637 H31B SXH 87 H31B SXH 87 -2.161 10.624 1.574 638 H32 SXH 87 H32A SXH 87 -1.774 14.928 1.639 639 HO33 SXH 87 H33A SXH 87 -3.107 13.806 0.013 640 HN36 SXH 87 H36A SXH 87 0.304 14.976 2.473 641 H37 SXH 87 H37A SXH 87 2.628 13.589 1.682 642 H37A SXH 87 H37B SXH 87 2.494 15.041 0.719 643 H38 SXH 87 H38A SXH 87 3.884 15.520 2.583 644 H38A SXH 87 H38B SXH 87 2.389 16.448 2.734 645 HN41 SXH 87 H41A SXH 87 2.586 13.081 3.474 646 H42 SXH 87 H42A SXH 87 3.336 13.056 6.118 647 H42A SXH 87 H42B SXH 87 1.565 13.180 6.072 648 H43 SXH 87 H43A SXH 87 1.449 11.145 4.788 649 H43A SXH 87 H43B SXH 87 2.545 10.799 6.151 650 H2 SXH 87 H2A SXH 87 3.710 7.573 2.764 651 H2A SXH 87 H2B SXH 87 5.027 8.750 2.798 652 H3 SXH 87 H3A SXH 87 3.749 10.258 1.395 653 H3A SXH 87 H3B SXH 87 2.359 9.175 1.451 654 H4 SXH 87 H4B SXH 87 3.642 9.004 -0.659 655 H4A SXH 87 H4A SXH 87 5.038 8.463 0.269 656 H5 SXH 87 H5A SXH 87 3.723 6.507 1.054 657 H5A SXH 87 H5B SXH 87 3.874 6.550 -0.710 658 H6 SXH 87 H6C SXH 87 1.633 7.524 -0.867 659 H6A SXH 87 H6A SXH 87 1.490 7.487 0.890 660 H6B SXH 87 H6B SXH 87 1.593 5.979 -0.019 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 17.156 -14.541 -0.071 2 H2 MET 1 HT2 MET 1 18.610 -13.685 0.039 3 H3 MET 1 HT3 MET 1 18.036 -14.168 -1.482 4 HA MET 1 HA MET 1 17.676 -11.826 -1.050 5 HB2 MET 1 HB2 MET 1 15.248 -13.598 -1.151 6 HB3 MET 1 HB1 MET 1 15.094 -11.849 -1.147 7 HG2 MET 1 HG2 MET 1 16.594 -13.478 -3.180 8 HG3 MET 1 HG1 MET 1 14.989 -12.774 -3.395 9 HE1 MET 1 HE1 MET 1 15.718 -11.491 -5.588 10 HE2 MET 1 HE2 MET 1 17.323 -12.213 -5.466 11 HE3 MET 1 HE3 MET 1 17.155 -10.476 -5.700 12 H ALA 2 HN ALA 2 16.503 -10.230 0.135 13 HA ALA 2 HA ALA 2 16.425 -10.828 2.970 14 HB1 ALA 2 HB1 ALA 2 16.186 -8.387 3.185 15 HB2 ALA 2 HB2 ALA 2 16.135 -8.242 1.429 16 HB3 ALA 2 HB3 ALA 2 17.602 -8.812 2.223 17 H THR 3 HN THR 3 14.482 -9.614 4.075 18 HA THR 3 HA THR 3 12.113 -10.779 3.047 19 HB THR 3 HB THR 3 12.518 -8.753 5.215 20 HG1 THR 3 HG1 THR 3 12.515 -11.587 5.105 21 HG21 THR 3 HG21 THR 3 10.169 -8.924 4.488 22 HG22 THR 3 HG22 THR 3 10.368 -9.617 6.097 23 HG23 THR 3 HG23 THR 3 10.235 -10.674 4.692 24 H LEU 4 HN LEU 4 11.397 -9.974 1.229 25 HA LEU 4 HA LEU 4 11.150 -7.098 0.868 26 HB2 LEU 4 HB2 LEU 4 10.750 -9.388 -1.069 27 HB3 LEU 4 HB1 LEU 4 10.563 -7.692 -1.471 28 HG LEU 4 HG LEU 4 13.141 -9.058 -0.678 29 HD11 LEU 4 HD11 LEU 4 13.807 -8.616 -2.983 30 HD12 LEU 4 HD12 LEU 4 12.206 -7.955 -3.317 31 HD13 LEU 4 HD13 LEU 4 12.387 -9.661 -2.906 32 HD21 LEU 4 HD21 LEU 4 12.634 -6.201 -1.520 33 HD22 LEU 4 HD22 LEU 4 14.214 -6.933 -1.249 34 HD23 LEU 4 HD23 LEU 4 13.091 -6.740 0.098 35 H LEU 5 HN LEU 5 9.028 -6.523 -0.227 36 HA LEU 5 HA LEU 5 6.912 -7.639 1.442 37 HB2 LEU 5 HB2 LEU 5 7.591 -5.108 1.106 38 HB3 LEU 5 HB1 LEU 5 6.750 -5.257 -0.414 39 HG LEU 5 HG LEU 5 5.497 -5.637 2.313 40 HD11 LEU 5 HD11 LEU 5 5.356 -3.333 0.388 41 HD12 LEU 5 HD12 LEU 5 6.155 -3.339 1.962 42 HD13 LEU 5 HD13 LEU 5 4.401 -3.501 1.860 43 HD21 LEU 5 HD21 LEU 5 4.393 -6.883 0.534 44 HD22 LEU 5 HD22 LEU 5 4.262 -5.390 -0.396 45 HD23 LEU 5 HD23 LEU 5 3.401 -5.556 1.142 46 H THR 6 HN THR 6 5.558 -9.146 0.434 47 HA THR 6 HA THR 6 5.803 -9.290 -2.472 48 HB THR 6 HB THR 6 4.974 -11.579 -2.373 49 HG1 THR 6 HG1 THR 6 4.758 -11.205 0.452 50 HG21 THR 6 HG21 THR 6 6.732 -12.639 -1.019 51 HG22 THR 6 HG22 THR 6 7.025 -11.103 -0.203 52 HG23 THR 6 HG23 THR 6 7.365 -11.265 -1.926 53 H THR 7 HN THR 7 3.654 -10.327 -3.474 54 HA THR 7 HA THR 7 1.683 -8.408 -3.516 55 HB THR 7 HB THR 7 1.403 -11.372 -4.114 56 HG1 THR 7 HG1 THR 7 1.951 -10.634 -6.269 57 HG21 THR 7 HG21 THR 7 -0.078 -8.962 -5.210 58 HG22 THR 7 HG22 THR 7 -0.741 -10.145 -4.083 59 HG23 THR 7 HG23 THR 7 -0.311 -10.635 -5.724 60 H ASP 8 HN ASP 8 1.613 -11.579 -1.856 61 HA ASP 8 HA ASP 8 -0.859 -11.153 -0.586 62 HB2 ASP 8 HB2 ASP 8 0.065 -13.393 -0.880 63 HB3 ASP 8 HB1 ASP 8 1.358 -13.025 0.258 64 H ASP 9 HN ASP 9 2.388 -10.275 0.463 65 HA ASP 9 HA ASP 9 1.702 -9.651 3.160 66 HB2 ASP 9 HB2 ASP 9 3.889 -8.498 1.415 67 HB3 ASP 9 HB1 ASP 9 3.676 -8.053 3.102 68 H LEU 10 HN LEU 10 1.817 -7.742 0.212 69 HA LEU 10 HA LEU 10 0.992 -5.325 1.418 70 HB2 LEU 10 HB2 LEU 10 2.125 -5.512 -0.823 71 HB3 LEU 10 HB1 LEU 10 0.635 -6.156 -1.461 72 HG LEU 10 HG LEU 10 -0.503 -4.031 -0.984 73 HD11 LEU 10 HD11 LEU 10 0.797 -2.069 -0.312 74 HD12 LEU 10 HD12 LEU 10 2.223 -3.088 -0.099 75 HD13 LEU 10 HD13 LEU 10 0.814 -3.314 0.938 76 HD21 LEU 10 HD21 LEU 10 2.054 -3.718 -2.547 77 HD22 LEU 10 HD22 LEU 10 0.623 -2.696 -2.687 78 HD23 LEU 10 HD23 LEU 10 0.547 -4.393 -3.161 79 H ARG 11 HN ARG 11 -0.693 -7.929 -0.201 80 HA ARG 11 HA ARG 11 -3.311 -7.059 -0.243 81 HB2 ARG 11 HB2 ARG 11 -2.631 -9.204 -1.152 82 HB3 ARG 11 HB1 ARG 11 -2.247 -9.794 0.454 83 HG2 ARG 11 HG2 ARG 11 -4.628 -9.633 1.056 84 HG3 ARG 11 HG1 ARG 11 -4.987 -9.114 -0.594 85 HD2 ARG 11 HD2 ARG 11 -3.653 -11.706 0.153 86 HD3 ARG 11 HD1 ARG 11 -5.366 -11.531 -0.222 87 HE ARG 11 HE ARG 11 -4.490 -10.640 -2.446 88 HH11 ARG 11 HH11 ARG 11 -2.683 -13.093 -0.590 89 HH12 ARG 11 HH12 ARG 11 -2.204 -13.951 -1.958 90 HH21 ARG 11 HH21 ARG 11 -3.755 -11.771 -4.312 91 HH22 ARG 11 HH22 ARG 11 -2.789 -13.170 -4.163 92 H ARG 12 HN ARG 12 -1.691 -8.800 2.358 93 HA ARG 12 HA ARG 12 -3.742 -8.734 4.244 94 HB2 ARG 12 HB2 ARG 12 -0.765 -8.750 4.678 95 HB3 ARG 12 HB1 ARG 12 -1.951 -9.028 5.935 96 HG2 ARG 12 HG2 ARG 12 -2.733 -11.014 4.687 97 HG3 ARG 12 HG1 ARG 12 -1.420 -10.748 3.532 98 HD2 ARG 12 HD2 ARG 12 -0.808 -12.390 5.251 99 HD3 ARG 12 HD1 ARG 12 0.218 -10.951 5.318 100 HE ARG 12 HE ARG 12 -2.089 -11.381 7.080 101 HH11 ARG 12 HH11 ARG 12 1.307 -10.395 6.639 102 HH12 ARG 12 HH12 ARG 12 1.497 -9.848 8.241 103 HH21 ARG 12 HH21 ARG 12 -1.802 -10.587 9.303 104 HH22 ARG 12 HH22 ARG 12 -0.311 -9.909 9.753 105 H ALA 13 HN ALA 13 -1.006 -6.540 3.806 106 HA ALA 13 HA ALA 13 -1.572 -4.893 6.001 107 HB1 ALA 13 HB1 ALA 13 -0.006 -3.315 5.001 108 HB2 ALA 13 HB2 ALA 13 -0.073 -4.198 3.477 109 HB3 ALA 13 HB3 ALA 13 0.617 -4.961 4.909 110 H LEU 14 HN LEU 14 -2.471 -4.625 2.589 111 HA LEU 14 HA LEU 14 -3.758 -2.144 2.897 112 HB2 LEU 14 HB2 LEU 14 -4.097 -4.259 0.788 113 HB3 LEU 14 HB1 LEU 14 -4.891 -2.702 0.737 114 HG LEU 14 HG LEU 14 -1.912 -3.186 0.623 115 HD11 LEU 14 HD11 LEU 14 -2.124 -2.360 -1.656 116 HD12 LEU 14 HD12 LEU 14 -3.874 -2.247 -1.455 117 HD13 LEU 14 HD13 LEU 14 -3.079 -3.823 -1.407 118 HD21 LEU 14 HD21 LEU 14 -2.435 -1.094 1.768 119 HD22 LEU 14 HD22 LEU 14 -3.481 -0.617 0.430 120 HD23 LEU 14 HD23 LEU 14 -1.744 -0.789 0.174 121 H VAL 15 HN VAL 15 -5.046 -5.464 2.926 122 HA VAL 15 HA VAL 15 -7.711 -4.537 3.102 123 HB VAL 15 HB VAL 15 -7.056 -6.868 2.306 124 HG11 VAL 15 HG11 VAL 15 -5.517 -7.508 4.015 125 HG12 VAL 15 HG12 VAL 15 -6.847 -8.666 3.921 126 HG13 VAL 15 HG13 VAL 15 -6.804 -7.481 5.225 127 HG21 VAL 15 HG21 VAL 15 -9.044 -7.987 3.192 128 HG22 VAL 15 HG22 VAL 15 -9.386 -6.322 2.714 129 HG23 VAL 15 HG23 VAL 15 -9.196 -6.733 4.422 130 H GLU 16 HN GLU 16 -5.307 -4.985 5.548 131 HA GLU 16 HA GLU 16 -7.324 -4.808 7.626 132 HB2 GLU 16 HB2 GLU 16 -5.572 -5.010 9.232 133 HB3 GLU 16 HB1 GLU 16 -5.376 -6.245 7.991 134 HG2 GLU 16 HG2 GLU 16 -3.655 -4.992 6.955 135 HG3 GLU 16 HG1 GLU 16 -4.060 -3.661 8.069 136 H SER 17 HN SER 17 -5.264 -2.625 5.933 137 HA SER 17 HA SER 17 -5.648 -0.554 7.893 138 HB2 SER 17 HB2 SER 17 -4.545 -0.348 5.070 139 HB3 SER 17 HB1 SER 17 -4.370 0.850 6.355 140 HG SER 17 HG SER 17 -3.131 -1.605 5.991 141 H ALA 18 HN ALA 18 -7.211 -1.721 5.042 142 HA ALA 18 HA ALA 18 -9.556 -0.209 5.623 143 HB1 ALA 18 HB1 ALA 18 -9.784 0.777 3.408 144 HB2 ALA 18 HB2 ALA 18 -8.214 0.117 2.962 145 HB3 ALA 18 HB3 ALA 18 -8.315 1.386 4.193 146 H GLY 19 HN GLY 19 -10.837 -1.856 5.702 147 HA2 GLY 19 HA2 GLY 19 -11.516 -3.348 3.386 148 HA3 GLY 19 HA1 GLY 19 -10.598 -4.336 4.531 149 H GLU 20 HN GLU 20 -13.053 -1.903 4.595 150 HA GLU 20 HA GLU 20 -14.190 -2.791 7.023 151 HB2 GLU 20 HB2 GLU 20 -15.852 -1.072 6.612 152 HB3 GLU 20 HB1 GLU 20 -14.227 -0.466 6.308 153 HG2 GLU 20 HG2 GLU 20 -14.572 -0.771 3.903 154 HG3 GLU 20 HG1 GLU 20 -16.200 -1.360 4.225 155 H THR 21 HN THR 21 -16.564 -3.197 7.161 156 HA THR 21 HA THR 21 -17.240 -5.478 5.579 157 HB THR 21 HB THR 21 -19.246 -5.439 7.165 158 HG1 THR 21 HG1 THR 21 -19.030 -3.215 7.686 159 HG21 THR 21 HG21 THR 21 -17.283 -6.877 7.501 160 HG22 THR 21 HG22 THR 21 -17.888 -6.268 9.041 161 HG23 THR 21 HG23 THR 21 -16.450 -5.550 8.311 162 H ASP 22 HN ASP 22 -17.231 -3.709 3.788 163 HA ASP 22 HA ASP 22 -20.013 -3.076 3.165 164 HB2 ASP 22 HB2 ASP 22 -18.764 -1.049 4.167 165 HB3 ASP 22 HB1 ASP 22 -17.746 -1.094 2.736 166 H GLY 23 HN GLY 23 -19.451 -1.962 0.606 167 HA2 GLY 23 HA2 GLY 23 -18.703 -4.389 -0.752 168 HA3 GLY 23 HA1 GLY 23 -19.317 -2.918 -1.481 169 H THR 24 HN THR 24 -16.474 -3.757 0.414 170 HA THR 24 HA THR 24 -14.759 -3.145 -1.776 171 HB THR 24 HB THR 24 -15.009 -0.900 -0.962 172 HG1 THR 24 HG1 THR 24 -12.568 -1.890 0.070 173 HG21 THR 24 HG21 THR 24 -15.886 -1.323 1.278 174 HG22 THR 24 HG22 THR 24 -14.513 -0.221 1.364 175 HG23 THR 24 HG23 THR 24 -14.312 -1.918 1.803 176 H ASP 25 HN ASP 25 -14.747 -5.454 -1.283 177 HA ASP 25 HA ASP 25 -13.039 -6.290 0.929 178 HB2 ASP 25 HB2 ASP 25 -13.498 -8.562 0.166 179 HB3 ASP 25 HB1 ASP 25 -15.019 -7.681 0.266 180 H LEU 26 HN LEU 26 -11.123 -7.729 0.297 181 HA LEU 26 HA LEU 26 -9.963 -6.818 -2.241 182 HB2 LEU 26 HB2 LEU 26 -9.517 -5.172 -0.345 183 HB3 LEU 26 HB1 LEU 26 -8.485 -6.409 0.347 184 HG LEU 26 HG LEU 26 -7.097 -6.335 -1.713 185 HD11 LEU 26 HD11 LEU 26 -8.799 -5.534 -3.257 186 HD12 LEU 26 HD12 LEU 26 -7.397 -4.467 -3.260 187 HD13 LEU 26 HD13 LEU 26 -8.863 -3.990 -2.406 188 HD21 LEU 26 HD21 LEU 26 -6.041 -4.186 -1.207 189 HD22 LEU 26 HD22 LEU 26 -6.481 -5.047 0.267 190 HD23 LEU 26 HD23 LEU 26 -7.471 -3.700 -0.298 191 H SER 27 HN SER 27 -10.725 -9.405 -0.744 192 HA SER 27 HA SER 27 -8.199 -10.716 -0.434 193 HB2 SER 27 HB2 SER 27 -10.202 -11.219 0.995 194 HB3 SER 27 HB1 SER 27 -10.955 -11.951 -0.419 195 HG SER 27 HG SER 27 -8.901 -12.833 1.193 196 H GLY 28 HN GLY 28 -7.242 -10.618 -2.392 197 HA2 GLY 28 HA2 GLY 28 -7.290 -12.691 -4.129 198 HA3 GLY 28 HA1 GLY 28 -8.468 -11.563 -4.807 199 H ASP 29 HN ASP 29 -7.310 -10.851 -6.568 200 HA ASP 29 HA ASP 29 -4.691 -9.713 -5.960 201 HB2 ASP 29 HB2 ASP 29 -4.744 -11.093 -8.028 202 HB3 ASP 29 HB1 ASP 29 -5.971 -10.023 -8.705 203 H PHE 30 HN PHE 30 -4.235 -7.623 -6.524 204 HA PHE 30 HA PHE 30 -6.556 -5.826 -6.445 205 HB2 PHE 30 HB2 PHE 30 -5.699 -4.768 -4.373 206 HB3 PHE 30 HB1 PHE 30 -6.232 -6.434 -4.149 207 HD1 PHE 30 HD1 PHE 30 -4.548 -8.245 -3.902 208 HD2 PHE 30 HD2 PHE 30 -3.441 -4.147 -4.009 209 HE1 PHE 30 HE1 PHE 30 -2.345 -8.821 -3.018 210 HE2 PHE 30 HE2 PHE 30 -1.239 -4.723 -3.120 211 HZ PHE 30 HZ PHE 30 -0.686 -7.064 -2.631 212 H LEU 31 HN LEU 31 -3.412 -6.470 -7.511 213 HA LEU 31 HA LEU 31 -2.061 -4.112 -7.071 214 HB2 LEU 31 HB2 LEU 31 -1.717 -6.081 -9.276 215 HB3 LEU 31 HB1 LEU 31 -0.698 -4.675 -9.082 216 HG LEU 31 HG LEU 31 -0.905 -7.097 -7.331 217 HD11 LEU 31 HD11 LEU 31 1.286 -5.664 -8.783 218 HD12 LEU 31 HD12 LEU 31 0.578 -7.221 -9.213 219 HD13 LEU 31 HD13 LEU 31 1.546 -7.064 -7.737 220 HD21 LEU 31 HD21 LEU 31 0.489 -4.493 -6.672 221 HD22 LEU 31 HD22 LEU 31 0.613 -5.991 -5.752 222 HD23 LEU 31 HD23 LEU 31 -0.927 -5.135 -5.842 223 H ASP 32 HN ASP 32 -4.327 -4.784 -9.663 224 HA ASP 32 HA ASP 32 -3.561 -2.195 -10.810 225 HB2 ASP 32 HB2 ASP 32 -3.546 -4.268 -12.253 226 HB3 ASP 32 HB1 ASP 32 -5.297 -4.317 -12.089 227 H LEU 33 HN LEU 33 -5.448 -2.881 -8.477 228 HA LEU 33 HA LEU 33 -7.930 -1.735 -9.443 229 HB2 LEU 33 HB2 LEU 33 -7.097 -2.922 -6.820 230 HB3 LEU 33 HB1 LEU 33 -8.512 -1.899 -6.899 231 HG LEU 33 HG LEU 33 -9.590 -3.454 -8.438 232 HD11 LEU 33 HD11 LEU 33 -7.717 -4.307 -9.652 233 HD12 LEU 33 HD12 LEU 33 -8.587 -5.656 -8.915 234 HD13 LEU 33 HD13 LEU 33 -7.072 -5.078 -8.212 235 HD21 LEU 33 HD21 LEU 33 -8.466 -4.821 -6.002 236 HD22 LEU 33 HD22 LEU 33 -9.886 -5.341 -6.911 237 HD23 LEU 33 HD23 LEU 33 -9.901 -3.796 -6.060 238 H ARG 34 HN ARG 34 -8.812 0.161 -8.804 239 HA ARG 34 HA ARG 34 -6.969 2.288 -8.316 240 HB2 ARG 34 HB2 ARG 34 -9.962 2.182 -8.572 241 HB3 ARG 34 HB1 ARG 34 -9.136 3.656 -8.116 242 HG2 ARG 34 HG2 ARG 34 -8.797 2.132 -10.688 243 HG3 ARG 34 HG1 ARG 34 -9.625 3.680 -10.466 244 HD2 ARG 34 HD2 ARG 34 -7.431 4.521 -9.512 245 HD3 ARG 34 HD1 ARG 34 -6.713 3.058 -10.178 246 HE ARG 34 HE ARG 34 -8.183 4.929 -11.869 247 HH11 ARG 34 HH11 ARG 34 -5.392 2.926 -11.330 248 HH12 ARG 34 HH12 ARG 34 -4.317 3.793 -12.338 249 HH21 ARG 34 HH21 ARG 34 -6.777 6.117 -13.459 250 HH22 ARG 34 HH22 ARG 34 -5.177 5.586 -13.665 251 H PHE 35 HN PHE 35 -6.304 3.035 -6.448 252 HA PHE 35 HA PHE 35 -6.977 2.152 -3.913 253 HB2 PHE 35 HB2 PHE 35 -5.952 4.848 -4.783 254 HB3 PHE 35 HB1 PHE 35 -6.137 4.391 -3.102 255 HD1 PHE 35 HD1 PHE 35 -4.941 2.168 -2.433 256 HD2 PHE 35 HD2 PHE 35 -3.955 4.554 -5.805 257 HE1 PHE 35 HE1 PHE 35 -2.672 1.235 -2.417 258 HE2 PHE 35 HE2 PHE 35 -1.700 3.629 -5.803 259 HZ PHE 35 HZ PHE 35 -1.045 1.968 -4.103 260 H GLU 36 HN GLU 36 -8.101 5.021 -5.575 261 HA GLU 36 HA GLU 36 -9.805 6.063 -3.644 262 HB2 GLU 36 HB2 GLU 36 -10.006 6.240 -6.637 263 HB3 GLU 36 HB1 GLU 36 -10.799 7.310 -5.489 264 HG2 GLU 36 HG2 GLU 36 -8.707 8.177 -4.749 265 HG3 GLU 36 HG1 GLU 36 -7.822 6.977 -5.690 266 H ASP 37 HN ASP 37 -10.276 3.397 -5.762 267 HA ASP 37 HA ASP 37 -13.171 3.479 -5.689 268 HB2 ASP 37 HB2 ASP 37 -11.906 2.715 -7.684 269 HB3 ASP 37 HB1 ASP 37 -11.310 1.352 -6.747 270 H ILE 38 HN ILE 38 -10.521 1.824 -4.132 271 HA ILE 38 HA ILE 38 -12.415 0.191 -2.637 272 HB ILE 38 HB ILE 38 -10.428 -1.032 -1.740 273 HG12 ILE 38 HG12 ILE 38 -8.870 0.664 -3.723 274 HG13 ILE 38 HG11 ILE 38 -8.760 0.783 -1.974 275 HG21 ILE 38 HG21 ILE 38 -10.647 -0.929 -4.744 276 HG22 ILE 38 HG22 ILE 38 -11.628 -1.902 -3.647 277 HG23 ILE 38 HG23 ILE 38 -9.902 -2.233 -3.818 278 HD11 ILE 38 HD11 ILE 38 -6.866 -0.423 -2.896 279 HD12 ILE 38 HD12 ILE 38 -7.951 -1.594 -3.641 280 HD13 ILE 38 HD13 ILE 38 -7.843 -1.485 -1.885 281 H GLY 39 HN GLY 39 -11.935 3.058 -2.327 282 HA2 GLY 39 HA2 GLY 39 -12.434 4.424 -0.500 283 HA3 GLY 39 HA1 GLY 39 -12.177 3.046 0.550 284 H TYR 40 HN TYR 40 -9.487 3.396 -1.422 285 HA TYR 40 HA TYR 40 -8.026 4.387 0.824 286 HB2 TYR 40 HB2 TYR 40 -7.273 3.081 -1.701 287 HB3 TYR 40 HB1 TYR 40 -6.101 4.222 -1.044 288 HD1 TYR 40 HD1 TYR 40 -7.965 1.107 -0.353 289 HD2 TYR 40 HD2 TYR 40 -4.878 3.745 0.872 290 HE1 TYR 40 HE1 TYR 40 -7.195 -0.552 1.290 291 HE2 TYR 40 HE2 TYR 40 -4.105 2.110 2.507 292 HH TYR 40 HH TYR 40 -5.444 -1.094 2.667 293 H ASP 41 HN ASP 41 -8.425 6.308 1.206 294 HA ASP 41 HA ASP 41 -8.071 8.448 -0.734 295 HB2 ASP 41 HB2 ASP 41 -9.861 8.477 1.103 296 HB3 ASP 41 HB1 ASP 41 -8.508 8.586 2.234 297 H SER 42 HN SER 42 -6.677 10.317 0.307 298 HA SER 42 HA SER 42 -3.981 9.608 0.241 299 HB2 SER 42 HB2 SER 42 -3.702 11.967 1.130 300 HB3 SER 42 HB1 SER 42 -4.719 11.832 -0.319 301 H LEU 43 HN LEU 43 -6.158 10.256 2.888 302 HA LEU 43 HA LEU 43 -4.490 10.089 5.119 303 HB2 LEU 43 HB2 LEU 43 -6.888 10.818 5.081 304 HB3 LEU 43 HB1 LEU 43 -7.365 9.159 4.853 305 HG LEU 43 HG LEU 43 -7.758 10.059 7.146 306 HD11 LEU 43 HD11 LEU 43 -7.615 7.670 6.879 307 HD12 LEU 43 HD12 LEU 43 -6.906 8.165 8.416 308 HD13 LEU 43 HD13 LEU 43 -5.862 7.732 7.062 309 HD21 LEU 43 HD21 LEU 43 -4.757 10.085 7.329 310 HD22 LEU 43 HD22 LEU 43 -5.870 10.320 8.677 311 HD23 LEU 43 HD23 LEU 43 -5.825 11.489 7.356 312 H ALA 44 HN ALA 44 -6.379 7.529 3.573 313 HA ALA 44 HA ALA 44 -5.509 5.438 5.260 314 HB1 ALA 44 HB1 ALA 44 -6.533 3.940 3.628 315 HB2 ALA 44 HB2 ALA 44 -6.642 5.262 2.466 316 HB3 ALA 44 HB3 ALA 44 -7.582 5.319 3.958 317 H LEU 45 HN LEU 45 -4.283 6.748 2.265 318 HA LEU 45 HA LEU 45 -2.434 4.731 1.667 319 HB2 LEU 45 HB2 LEU 45 -2.320 7.680 1.062 320 HB3 LEU 45 HB1 LEU 45 -1.174 6.514 0.440 321 HG LEU 45 HG LEU 45 -4.129 6.584 -0.161 322 HD11 LEU 45 HD11 LEU 45 -2.886 8.378 -1.234 323 HD12 LEU 45 HD12 LEU 45 -3.376 7.165 -2.423 324 HD13 LEU 45 HD13 LEU 45 -1.712 7.210 -1.844 325 HD21 LEU 45 HD21 LEU 45 -1.950 4.778 -1.199 326 HD22 LEU 45 HD22 LEU 45 -3.622 4.808 -1.760 327 HD23 LEU 45 HD23 LEU 45 -3.251 4.305 -0.108 328 H MET 46 HN MET 46 -2.053 7.694 3.606 329 HA MET 46 HA MET 46 0.676 7.064 4.098 330 HB2 MET 46 HB2 MET 46 0.819 8.934 5.608 331 HB3 MET 46 HB1 MET 46 -0.064 9.408 4.174 332 HG2 MET 46 HG2 MET 46 -2.129 9.382 5.374 333 HG3 MET 46 HG1 MET 46 -1.345 8.686 6.792 334 HE1 MET 46 HE1 MET 46 -2.251 10.536 8.401 335 HE2 MET 46 HE2 MET 46 -3.141 11.216 7.039 336 HE3 MET 46 HE3 MET 46 -2.155 12.265 8.058 337 H GLU 47 HN GLU 47 -2.281 6.296 5.785 338 HA GLU 47 HA GLU 47 -1.116 5.459 8.191 339 HB2 GLU 47 HB2 GLU 47 -3.557 4.383 6.769 340 HB3 GLU 47 HB1 GLU 47 -3.134 4.028 8.440 341 HG2 GLU 47 HG2 GLU 47 -3.777 6.737 7.307 342 HG3 GLU 47 HG1 GLU 47 -4.845 5.753 8.303 343 H THR 48 HN THR 48 -1.870 3.672 5.257 344 HA THR 48 HA THR 48 -0.772 1.208 5.941 345 HB THR 48 HB THR 48 -0.906 2.482 3.196 346 HG1 THR 48 HG1 THR 48 -2.988 2.605 3.939 347 HG21 THR 48 HG21 THR 48 0.332 0.352 3.314 348 HG22 THR 48 HG22 THR 48 -1.190 0.160 2.441 349 HG23 THR 48 HG23 THR 48 -1.051 -0.404 4.104 350 H ALA 49 HN ALA 49 0.622 3.967 4.141 351 HA ALA 49 HA ALA 49 3.116 2.924 3.551 352 HB1 ALA 49 HB1 ALA 49 3.852 5.223 3.244 353 HB2 ALA 49 HB2 ALA 49 2.443 5.805 4.130 354 HB3 ALA 49 HB3 ALA 49 2.233 4.997 2.578 355 H ALA 50 HN ALA 50 2.176 4.875 6.382 356 HA ALA 50 HA ALA 50 4.656 4.995 7.629 357 HB1 ALA 50 HB1 ALA 50 1.941 4.881 8.916 358 HB2 ALA 50 HB2 ALA 50 2.722 6.327 8.277 359 HB3 ALA 50 HB3 ALA 50 3.419 5.486 9.663 360 H ARG 51 HN ARG 51 2.076 2.611 7.990 361 HA ARG 51 HA ARG 51 3.260 0.986 9.923 362 HB2 ARG 51 HB2 ARG 51 0.946 0.731 9.432 363 HB3 ARG 51 HB1 ARG 51 1.265 0.423 7.737 364 HG2 ARG 51 HG2 ARG 51 2.131 -1.749 8.227 365 HG3 ARG 51 HG1 ARG 51 2.094 -1.426 9.962 366 HD2 ARG 51 HD2 ARG 51 -0.355 -1.408 8.212 367 HD3 ARG 51 HD1 ARG 51 0.193 -2.832 9.097 368 HE ARG 51 HE ARG 51 0.089 -1.058 11.041 369 HH11 ARG 51 HH11 ARG 51 -2.398 -1.421 8.481 370 HH12 ARG 51 HH12 ARG 51 -3.661 -1.244 9.608 371 HH21 ARG 51 HH21 ARG 51 -1.684 -0.782 12.459 372 HH22 ARG 51 HH22 ARG 51 -3.282 -0.835 11.860 373 H LEU 52 HN LEU 52 3.509 0.911 6.420 374 HA LEU 52 HA LEU 52 5.146 -1.418 6.359 375 HB2 LEU 52 HB2 LEU 52 4.721 0.708 4.262 376 HB3 LEU 52 HB1 LEU 52 5.557 -0.807 3.992 377 HG LEU 52 HG LEU 52 2.649 -0.526 4.747 378 HD11 LEU 52 HD11 LEU 52 3.074 0.229 2.481 379 HD12 LEU 52 HD12 LEU 52 2.206 -1.306 2.476 380 HD13 LEU 52 HD13 LEU 52 3.935 -1.267 2.131 381 HD21 LEU 52 HD21 LEU 52 4.255 -2.970 4.015 382 HD22 LEU 52 HD22 LEU 52 2.511 -2.923 4.284 383 HD23 LEU 52 HD23 LEU 52 3.617 -2.582 5.615 384 H GLU 53 HN GLU 53 5.824 2.053 6.319 385 HA GLU 53 HA GLU 53 8.594 1.859 5.962 386 HB2 GLU 53 HB2 GLU 53 6.995 3.978 7.408 387 HB3 GLU 53 HB1 GLU 53 8.714 4.111 7.072 388 HG2 GLU 53 HG2 GLU 53 8.203 3.932 4.656 389 HG3 GLU 53 HG1 GLU 53 6.490 3.939 5.062 390 H SER 54 HN SER 54 6.647 1.774 8.874 391 HA SER 54 HA SER 54 8.787 1.580 10.689 392 HB2 SER 54 HB2 SER 54 5.971 0.510 10.937 393 HB3 SER 54 HB1 SER 54 7.112 0.714 12.266 394 HG SER 54 HG SER 54 6.826 3.021 10.825 395 H ARG 55 HN ARG 55 6.736 -0.996 9.292 396 HA ARG 55 HA ARG 55 8.071 -3.084 10.629 397 HB2 ARG 55 HB2 ARG 55 5.766 -3.252 9.808 398 HB3 ARG 55 HB1 ARG 55 6.357 -3.242 8.153 399 HG2 ARG 55 HG2 ARG 55 7.473 -5.363 8.503 400 HG3 ARG 55 HG1 ARG 55 7.001 -5.353 10.205 401 HD2 ARG 55 HD2 ARG 55 5.125 -5.432 7.845 402 HD3 ARG 55 HD1 ARG 55 5.530 -6.793 8.894 403 HE ARG 55 HE ARG 55 4.608 -4.790 10.546 404 HH11 ARG 55 HH11 ARG 55 3.223 -6.705 7.869 405 HH12 ARG 55 HH12 ARG 55 1.633 -6.626 8.451 406 HH21 ARG 55 HH21 ARG 55 2.431 -4.705 11.348 407 HH22 ARG 55 HH22 ARG 55 1.174 -5.505 10.529 408 H TYR 56 HN TYR 56 8.459 -1.856 7.311 409 HA TYR 56 HA TYR 56 10.478 -3.888 6.868 410 HB2 TYR 56 HB2 TYR 56 9.222 -1.905 4.975 411 HB3 TYR 56 HB1 TYR 56 10.481 -3.047 4.512 412 HD1 TYR 56 HD2 TYR 56 10.015 -5.461 4.459 413 HD2 TYR 56 HD1 TYR 56 6.967 -2.634 5.355 414 HE1 TYR 56 HE2 TYR 56 8.320 -7.169 4.011 415 HE2 TYR 56 HE1 TYR 56 5.251 -4.332 4.906 416 HH TYR 56 HH TYR 56 5.035 -6.366 3.635 417 H GLY 57 HN GLY 57 10.470 -0.876 8.158 418 HA2 GLY 57 HA2 GLY 57 12.141 0.592 8.679 419 HA3 GLY 57 HA1 GLY 57 13.268 -0.682 8.234 420 H VAL 58 HN VAL 58 11.004 1.483 6.618 421 HA VAL 58 HA VAL 58 13.134 2.179 4.763 422 HB VAL 58 HB VAL 58 11.520 2.299 2.856 423 HG11 VAL 58 HG11 VAL 58 11.440 -0.099 2.395 424 HG12 VAL 58 HG12 VAL 58 11.847 -0.428 4.082 425 HG13 VAL 58 HG13 VAL 58 13.001 0.402 3.039 426 HG21 VAL 58 HG21 VAL 58 9.434 2.438 4.117 427 HG22 VAL 58 HG22 VAL 58 9.670 0.794 4.709 428 HG23 VAL 58 HG23 VAL 58 9.395 1.080 2.991 429 H SER 59 HN SER 59 12.421 4.088 3.366 430 HA SER 59 HA SER 59 10.843 5.998 4.910 431 HB2 SER 59 HB2 SER 59 13.564 6.540 3.686 432 HB3 SER 59 HB1 SER 59 12.566 7.694 4.582 433 HG SER 59 HG SER 59 12.813 5.517 6.029 434 H ILE 60 HN ILE 60 9.262 6.450 3.596 435 HA ILE 60 HA ILE 60 9.595 6.251 0.708 436 HB ILE 60 HB ILE 60 7.116 6.678 2.400 437 HG12 ILE 60 HG12 ILE 60 8.071 4.249 0.863 438 HG13 ILE 60 HG11 ILE 60 8.103 4.434 2.612 439 HG21 ILE 60 HG21 ILE 60 6.837 7.730 0.233 440 HG22 ILE 60 HG22 ILE 60 5.829 6.281 0.354 441 HG23 ILE 60 HG23 ILE 60 7.327 6.241 -0.578 442 HD11 ILE 60 HD11 ILE 60 5.632 4.357 0.895 443 HD12 ILE 60 HD12 ILE 60 5.661 4.537 2.647 444 HD13 ILE 60 HD13 ILE 60 6.242 3.044 1.902 445 HA PRO 61 HA PRO 61 10.026 10.721 0.425 446 HB2 PRO 61 HB2 PRO 61 9.737 10.191 -2.468 447 HB3 PRO 61 HB1 PRO 61 11.075 10.957 -1.605 448 HG2 PRO 61 HG2 PRO 61 11.311 8.502 -2.656 449 HG3 PRO 61 HG1 PRO 61 12.095 8.937 -1.123 450 HD2 PRO 61 HD2 PRO 61 9.579 7.389 -1.593 451 HD3 PRO 61 HD1 PRO 61 10.890 7.086 -0.429 452 H ASP 62 HN ASP 62 8.540 12.264 0.277 453 HA ASP 62 HA ASP 62 5.839 11.625 0.438 454 HB2 ASP 62 HB2 ASP 62 7.055 14.335 -0.113 455 HB3 ASP 62 HB1 ASP 62 5.387 14.051 0.359 456 H ASP 63 HN ASP 63 7.608 13.022 -2.324 457 HA ASP 63 HA ASP 63 5.194 13.356 -3.828 458 HB2 ASP 63 HB2 ASP 63 6.466 14.209 -5.574 459 HB3 ASP 63 HB1 ASP 63 7.516 14.527 -4.206 460 H VAL 64 HN VAL 64 7.387 10.737 -3.408 461 HA VAL 64 HA VAL 64 6.535 9.325 -5.753 462 HB VAL 64 HB VAL 64 8.005 8.214 -3.336 463 HG11 VAL 64 HG11 VAL 64 7.760 7.183 -6.160 464 HG12 VAL 64 HG12 VAL 64 6.988 6.494 -4.731 465 HG13 VAL 64 HG13 VAL 64 8.745 6.470 -4.883 466 HG21 VAL 64 HG21 VAL 64 9.241 10.059 -4.326 467 HG22 VAL 64 HG22 VAL 64 9.101 9.316 -5.919 468 HG23 VAL 64 HG23 VAL 64 10.043 8.523 -4.654 469 H ALA 65 HN ALA 65 5.724 9.339 -2.350 470 HA ALA 65 HA ALA 65 3.951 7.160 -2.328 471 HB1 ALA 65 HB1 ALA 65 3.019 8.167 -0.318 472 HB2 ALA 65 HB2 ALA 65 3.799 9.694 -0.707 473 HB3 ALA 65 HB3 ALA 65 4.777 8.286 -0.302 474 H GLY 66 HN GLY 66 3.614 10.414 -3.473 475 HA2 GLY 66 HA2 GLY 66 0.743 10.196 -3.772 476 HA3 GLY 66 HA1 GLY 66 1.736 11.585 -4.189 477 H ARG 67 HN ARG 67 3.357 9.135 -5.619 478 HA ARG 67 HA ARG 67 1.939 9.659 -8.146 479 HB2 ARG 67 HB2 ARG 67 3.936 9.096 -9.334 480 HB3 ARG 67 HB1 ARG 67 4.418 10.151 -8.014 481 HG2 ARG 67 HG2 ARG 67 5.235 8.289 -6.749 482 HG3 ARG 67 HG1 ARG 67 4.597 7.155 -7.935 483 HD2 ARG 67 HD2 ARG 67 6.944 7.370 -8.256 484 HD3 ARG 67 HD1 ARG 67 6.116 8.129 -9.609 485 HE ARG 67 HE ARG 67 6.560 10.223 -8.024 486 HH11 ARG 67 HH11 ARG 67 8.678 7.547 -8.922 487 HH12 ARG 67 HH12 ARG 67 10.093 8.493 -9.050 488 HH21 ARG 67 HH21 ARG 67 8.538 11.522 -7.977 489 HH22 ARG 67 HH22 ARG 67 9.996 10.834 -8.488 490 H VAL 68 HN VAL 68 1.651 7.429 -5.848 491 HA VAL 68 HA VAL 68 1.991 5.042 -7.333 492 HB VAL 68 HB VAL 68 0.516 5.565 -4.762 493 HG11 VAL 68 HG11 VAL 68 0.095 3.493 -5.829 494 HG12 VAL 68 HG12 VAL 68 0.972 3.292 -4.298 495 HG13 VAL 68 HG13 VAL 68 1.831 3.142 -5.858 496 HG21 VAL 68 HG21 VAL 68 2.787 6.420 -4.543 497 HG22 VAL 68 HG22 VAL 68 3.431 4.878 -5.117 498 HG23 VAL 68 HG23 VAL 68 2.562 4.962 -3.580 499 H ASP 69 HN ASP 69 0.580 4.669 -8.901 500 HA ASP 69 HA ASP 69 -2.060 5.872 -8.838 501 HB2 ASP 69 HB2 ASP 69 -0.734 6.039 -10.886 502 HB3 ASP 69 HB1 ASP 69 -0.631 4.287 -10.982 503 H THR 70 HN THR 70 -0.556 2.710 -8.798 504 HA THR 70 HA THR 70 -3.036 1.635 -7.760 505 HB THR 70 HB THR 70 -2.508 -0.533 -9.044 506 HG1 THR 70 HG1 THR 70 -0.511 1.053 -10.073 507 HG21 THR 70 HG21 THR 70 -4.405 0.854 -9.639 508 HG22 THR 70 HG22 THR 70 -3.644 0.196 -11.091 509 HG23 THR 70 HG23 THR 70 -3.368 1.876 -10.635 510 HA PRO 71 HA PRO 71 -0.818 -0.041 -4.338 511 HB2 PRO 71 HB2 PRO 71 -1.663 -2.759 -5.263 512 HB3 PRO 71 HB1 PRO 71 -1.761 -2.040 -3.650 513 HG2 PRO 71 HG2 PRO 71 -3.923 -2.192 -5.154 514 HG3 PRO 71 HG1 PRO 71 -3.602 -0.722 -4.212 515 HD2 PRO 71 HD2 PRO 71 -3.321 -1.198 -7.143 516 HD3 PRO 71 HD1 PRO 71 -3.805 0.273 -6.277 517 H ARG 72 HN ARG 72 -0.415 -1.776 -7.294 518 HA ARG 72 HA ARG 72 1.857 -3.270 -6.917 519 HB2 ARG 72 HB2 ARG 72 0.548 -3.514 -8.823 520 HB3 ARG 72 HB1 ARG 72 0.704 -1.820 -9.228 521 HG2 ARG 72 HG2 ARG 72 3.054 -2.213 -9.857 522 HG3 ARG 72 HG1 ARG 72 2.864 -3.926 -9.445 523 HD2 ARG 72 HD2 ARG 72 2.580 -3.343 -11.897 524 HD3 ARG 72 HD1 ARG 72 1.257 -4.259 -11.161 525 HE ARG 72 HE ARG 72 0.943 -1.434 -11.004 526 HH11 ARG 72 HH11 ARG 72 0.541 -4.067 -13.314 527 HH12 ARG 72 HH12 ARG 72 -0.932 -3.476 -13.977 528 HH21 ARG 72 HH21 ARG 72 -1.135 -0.678 -11.797 529 HH22 ARG 72 HH22 ARG 72 -1.957 -1.528 -13.037 530 H GLU 73 HN GLU 73 1.701 0.186 -7.876 531 HA GLU 73 HA GLU 73 4.513 0.455 -8.136 532 HB2 GLU 73 HB2 GLU 73 2.425 2.607 -7.733 533 HB3 GLU 73 HB1 GLU 73 4.120 2.936 -8.021 534 HG2 GLU 73 HG2 GLU 73 2.997 3.227 -10.076 535 HG3 GLU 73 HG1 GLU 73 3.889 1.714 -10.199 536 H LEU 74 HN LEU 74 2.386 0.734 -5.446 537 HA LEU 74 HA LEU 74 4.229 2.027 -3.694 538 HB2 LEU 74 HB2 LEU 74 1.670 1.842 -3.447 539 HB3 LEU 74 HB1 LEU 74 1.928 0.208 -2.905 540 HG LEU 74 HG LEU 74 1.470 1.840 -1.085 541 HD11 LEU 74 HD11 LEU 74 3.237 1.150 0.444 542 HD12 LEU 74 HD12 LEU 74 4.193 0.571 -0.922 543 HD13 LEU 74 HD13 LEU 74 2.654 -0.197 -0.534 544 HD21 LEU 74 HD21 LEU 74 2.573 3.780 -2.018 545 HD22 LEU 74 HD22 LEU 74 4.143 2.993 -1.850 546 HD23 LEU 74 HD23 LEU 74 3.214 3.421 -0.413 547 H LEU 75 HN LEU 75 3.256 -1.287 -4.289 548 HA LEU 75 HA LEU 75 4.918 -2.737 -2.583 549 HB2 LEU 75 HB2 LEU 75 3.090 -3.651 -3.954 550 HB3 LEU 75 HB1 LEU 75 4.019 -3.347 -5.402 551 HG LEU 75 HG LEU 75 5.685 -5.018 -4.624 552 HD11 LEU 75 HD11 LEU 75 5.249 -4.858 -2.249 553 HD12 LEU 75 HD12 LEU 75 5.056 -6.515 -2.818 554 HD13 LEU 75 HD13 LEU 75 3.634 -5.522 -2.489 555 HD21 LEU 75 HD21 LEU 75 3.930 -5.631 -6.195 556 HD22 LEU 75 HD22 LEU 75 2.841 -5.985 -4.854 557 HD23 LEU 75 HD23 LEU 75 4.284 -6.965 -5.099 558 H ASP 76 HN ASP 76 5.393 -1.803 -5.923 559 HA ASP 76 HA ASP 76 7.971 -2.669 -6.424 560 HB2 ASP 76 HB2 ASP 76 6.382 -1.974 -8.137 561 HB3 ASP 76 HB1 ASP 76 6.441 -0.320 -7.552 562 H LEU 77 HN LEU 77 6.857 0.397 -5.108 563 HA LEU 77 HA LEU 77 9.326 1.727 -4.955 564 HB2 LEU 77 HB2 LEU 77 7.336 2.999 -4.781 565 HB3 LEU 77 HB1 LEU 77 6.756 2.051 -3.420 566 HG LEU 77 HG LEU 77 8.530 3.016 -2.099 567 HD11 LEU 77 HD11 LEU 77 10.156 3.543 -3.835 568 HD12 LEU 77 HD12 LEU 77 9.750 5.004 -2.932 569 HD13 LEU 77 HD13 LEU 77 9.053 4.733 -4.530 570 HD21 LEU 77 HD21 LEU 77 7.517 5.255 -1.913 571 HD22 LEU 77 HD22 LEU 77 6.321 3.967 -2.050 572 HD23 LEU 77 HD23 LEU 77 6.693 4.978 -3.447 573 H ILE 78 HN ILE 78 7.594 -0.247 -2.563 574 HA ILE 78 HA ILE 78 9.372 0.229 -0.421 575 HB ILE 78 HB ILE 78 7.585 -2.178 -0.900 576 HG12 ILE 78 HG12 ILE 78 6.322 -0.082 -0.803 577 HG13 ILE 78 HG11 ILE 78 6.005 -1.068 0.619 578 HG21 ILE 78 HG21 ILE 78 9.316 -2.710 0.733 579 HG22 ILE 78 HG22 ILE 78 7.748 -2.576 1.523 580 HG23 ILE 78 HG23 ILE 78 8.913 -1.260 1.656 581 HD11 ILE 78 HD11 ILE 78 7.521 0.342 1.925 582 HD12 ILE 78 HD12 ILE 78 6.223 1.284 1.191 583 HD13 ILE 78 HD13 ILE 78 7.842 1.316 0.492 584 H ASN 79 HN ASN 79 9.130 -2.491 -2.667 585 HA ASN 79 HA ASN 79 11.390 -3.832 -1.659 586 HB2 ASN 79 HB2 ASN 79 10.039 -4.036 -4.349 587 HB3 ASN 79 HB1 ASN 79 11.358 -5.090 -3.842 588 HD21 ASN 79 HD21 ASN 79 8.530 -5.658 -4.449 589 HD22 ASN 79 HD22 ASN 79 7.928 -6.455 -3.023 590 H GLY 80 HN GLY 80 11.046 -1.403 -4.145 591 HA2 GLY 80 HA2 GLY 80 13.684 -1.457 -5.113 592 HA3 GLY 80 HA1 GLY 80 12.602 -0.071 -5.165 593 H ALA 81 HN ALA 81 12.187 0.294 -2.441 594 HA ALA 81 HA ALA 81 14.519 1.744 -1.715 595 HB1 ALA 81 HB1 ALA 81 12.257 2.493 -1.111 596 HB2 ALA 81 HB2 ALA 81 13.280 2.313 0.316 597 HB3 ALA 81 HB3 ALA 81 12.076 1.084 -0.065 598 H LEU 82 HN LEU 82 13.101 -1.302 -0.695 599 HA LEU 82 HA LEU 82 14.810 -1.882 1.460 600 HB2 LEU 82 HB2 LEU 82 13.298 -3.680 -0.415 601 HB3 LEU 82 HB1 LEU 82 14.235 -4.302 0.929 602 HG LEU 82 HG LEU 82 11.917 -2.386 1.225 603 HD11 LEU 82 HD11 LEU 82 12.032 -5.373 1.639 604 HD12 LEU 82 HD12 LEU 82 11.179 -4.547 0.333 605 HD13 LEU 82 HD13 LEU 82 10.659 -4.324 2.002 606 HD21 LEU 82 HD21 LEU 82 12.055 -3.012 3.573 607 HD22 LEU 82 HD22 LEU 82 13.577 -2.309 3.024 608 HD23 LEU 82 HD23 LEU 82 13.435 -4.054 3.225 609 H ALA 83 HN ALA 83 15.104 -2.622 -1.972 610 HA ALA 83 HA ALA 83 17.473 -4.125 -1.798 611 HB1 ALA 83 HB1 ALA 83 15.987 -4.156 -3.752 612 HB2 ALA 83 HB2 ALA 83 17.654 -3.787 -4.207 613 HB3 ALA 83 HB3 ALA 83 16.456 -2.498 -4.122 614 H GLU 84 HN GLU 84 16.919 -0.680 -2.019 615 HA GLU 84 HA GLU 84 19.728 -0.069 -2.339 616 HB2 GLU 84 HB2 GLU 84 17.347 1.711 -1.789 617 HB3 GLU 84 HB1 GLU 84 18.981 2.300 -2.052 618 HG2 GLU 84 HG2 GLU 84 17.365 0.724 -4.040 619 HG3 GLU 84 HG1 GLU 84 17.556 2.476 -4.045 620 H ALA 85 HN ALA 85 17.399 -0.319 0.208 621 HA ALA 85 HA ALA 85 17.505 -0.424 2.437 622 HB1 ALA 85 HB1 ALA 85 20.510 -0.594 2.096 623 HB2 ALA 85 HB2 ALA 85 19.401 -1.964 2.065 624 HB3 ALA 85 HB3 ALA 85 19.599 -1.023 3.545 625 H ALA 86 HN ALA 86 17.687 2.129 0.989 626 HA ALA 86 HA ALA 86 18.787 3.760 3.164 627 HB1 ALA 86 HB1 ALA 86 20.043 4.075 1.072 628 HB2 ALA 86 HB2 ALA 86 19.170 5.542 1.514 629 HB3 ALA 86 HB3 ALA 86 18.547 4.496 0.237 630 H28 SXH 87 H28B SXH 87 -3.586 12.644 3.080 631 H28A SXH 87 H28A SXH 87 -4.488 13.833 4.030 632 H30 SXH 87 H30C SXH 87 -2.514 13.787 5.505 633 H30A SXH 87 H30A SXH 87 -0.922 14.240 4.891 634 H30B SXH 87 H30B SXH 87 -1.668 12.725 4.378 635 H31 SXH 87 H31A SXH 87 -1.335 13.332 2.085 636 H31A SXH 87 H31C SXH 87 -2.058 14.793 1.403 637 H31B SXH 87 H31B SXH 87 -0.658 14.913 2.476 638 H32 SXH 87 H32A SXH 87 -3.378 15.994 4.760 639 HO33 SXH 87 H33A SXH 87 -3.968 15.703 2.288 640 HN36 SXH 87 H36A SXH 87 -1.188 15.953 5.627 641 H37 SXH 87 H37A SXH 87 0.289 18.400 4.874 642 H37A SXH 87 H37B SXH 87 0.259 17.640 6.458 643 H38 SXH 87 H38A SXH 87 1.674 16.614 4.022 644 H38A SXH 87 H38B SXH 87 2.422 17.270 5.487 645 HN41 SXH 87 H41A SXH 87 2.813 14.833 4.152 646 H42 SXH 87 H42A SXH 87 3.459 12.942 5.798 647 H42A SXH 87 H42B SXH 87 1.707 12.715 5.782 648 H43 SXH 87 H43A SXH 87 3.513 12.640 3.369 649 H43A SXH 87 H43B SXH 87 1.750 12.626 3.356 650 H2 SXH 87 H2A SXH 87 1.817 8.388 3.001 651 H2A SXH 87 H2B SXH 87 2.491 8.411 1.361 652 H3 SXH 87 H3A SXH 87 -0.036 9.766 2.335 653 H3A SXH 87 H3B SXH 87 0.042 8.307 1.352 654 H4 SXH 87 H4B SXH 87 1.058 11.013 0.493 655 H4A SXH 87 H4A SXH 87 1.019 9.543 -0.485 656 H5 SXH 87 H5A SXH 87 -1.377 11.004 0.632 657 H5A SXH 87 H5B SXH 87 -1.425 9.509 -0.321 658 H6 SXH 87 H6C SXH 87 -0.300 12.165 -1.219 659 H6A SXH 87 H6A SXH 87 -1.853 11.485 -1.708 660 H6B SXH 87 H6B SXH 87 -0.351 10.686 -2.179 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 8.985 -13.128 -1.371 2 H2 MET 1 HT2 MET 1 7.860 -11.901 -1.175 3 H3 MET 1 HT3 MET 1 7.511 -13.211 -2.203 4 HA MET 1 HA MET 1 6.286 -13.246 -0.246 5 HB2 MET 1 HB2 MET 1 7.025 -15.643 0.544 6 HB3 MET 1 HB1 MET 1 6.418 -15.387 -1.073 7 HG2 MET 1 HG2 MET 1 8.234 -16.896 -1.233 8 HG3 MET 1 HG1 MET 1 8.790 -15.358 -1.869 9 HE1 MET 1 HE1 MET 1 11.296 -16.171 -1.786 10 HE2 MET 1 HE2 MET 1 10.730 -17.738 -1.207 11 HE3 MET 1 HE3 MET 1 12.039 -16.910 -0.368 12 H ALA 2 HN ALA 2 9.270 -14.490 1.185 13 HA ALA 2 HA ALA 2 8.721 -12.790 3.495 14 HB1 ALA 2 HB1 ALA 2 10.572 -14.078 4.542 15 HB2 ALA 2 HB2 ALA 2 10.808 -14.942 3.024 16 HB3 ALA 2 HB3 ALA 2 9.306 -15.141 3.926 17 H THR 3 HN THR 3 11.176 -13.530 1.053 18 HA THR 3 HA THR 3 12.684 -11.192 1.612 19 HB THR 3 HB THR 3 13.758 -12.028 -0.600 20 HG1 THR 3 HG1 THR 3 13.238 -14.356 -0.849 21 HG21 THR 3 HG21 THR 3 14.728 -12.442 1.615 22 HG22 THR 3 HG22 THR 3 14.937 -13.842 0.565 23 HG23 THR 3 HG23 THR 3 13.689 -13.853 1.811 24 H LEU 4 HN LEU 4 11.698 -9.350 1.126 25 HA LEU 4 HA LEU 4 10.682 -7.722 0.127 26 HB2 LEU 4 HB2 LEU 4 10.973 -9.343 -2.396 27 HB3 LEU 4 HB1 LEU 4 10.221 -7.766 -2.376 28 HG LEU 4 HG LEU 4 12.401 -6.872 -1.453 29 HD11 LEU 4 HD11 LEU 4 13.388 -8.926 -0.678 30 HD12 LEU 4 HD12 LEU 4 14.426 -8.137 -1.871 31 HD13 LEU 4 HD13 LEU 4 13.453 -9.539 -2.334 32 HD21 LEU 4 HD21 LEU 4 11.739 -6.527 -3.755 33 HD22 LEU 4 HD22 LEU 4 12.422 -8.092 -4.204 34 HD23 LEU 4 HD23 LEU 4 13.478 -6.793 -3.649 35 H LEU 5 HN LEU 5 8.864 -6.941 0.173 36 HA LEU 5 HA LEU 5 6.498 -8.146 0.945 37 HB2 LEU 5 HB2 LEU 5 7.142 -5.709 1.049 38 HB3 LEU 5 HB1 LEU 5 6.861 -5.673 -0.680 39 HG LEU 5 HG LEU 5 4.456 -6.282 -0.193 40 HD11 LEU 5 HD11 LEU 5 3.614 -5.797 1.998 41 HD12 LEU 5 HD12 LEU 5 5.236 -5.407 2.555 42 HD13 LEU 5 HD13 LEU 5 4.847 -7.060 2.102 43 HD21 LEU 5 HD21 LEU 5 5.541 -3.664 0.808 44 HD22 LEU 5 HD22 LEU 5 3.862 -3.994 0.407 45 HD23 LEU 5 HD23 LEU 5 5.095 -4.049 -0.859 46 H THR 6 HN THR 6 5.087 -9.395 -0.244 47 HA THR 6 HA THR 6 4.856 -8.811 -3.077 48 HB THR 6 HB THR 6 4.184 -11.288 -3.300 49 HG1 THR 6 HG1 THR 6 4.205 -12.305 -1.486 50 HG21 THR 6 HG21 THR 6 7.052 -10.530 -2.706 51 HG22 THR 6 HG22 THR 6 6.232 -10.340 -4.256 52 HG23 THR 6 HG23 THR 6 6.539 -11.954 -3.610 53 H THR 7 HN THR 7 2.652 -10.476 -3.686 54 HA THR 7 HA THR 7 0.551 -8.850 -3.434 55 HB THR 7 HB THR 7 0.276 -11.830 -3.491 56 HG1 THR 7 HG1 THR 7 0.965 -11.603 -5.722 57 HG21 THR 7 HG21 THR 7 -1.323 -11.272 -5.279 58 HG22 THR 7 HG22 THR 7 -0.916 -9.565 -5.124 59 HG23 THR 7 HG23 THR 7 -1.721 -10.403 -3.798 60 H ASP 8 HN ASP 8 1.087 -11.818 -1.463 61 HA ASP 8 HA ASP 8 -1.256 -11.475 0.091 62 HB2 ASP 8 HB2 ASP 8 -0.305 -13.669 -0.059 63 HB3 ASP 8 HB1 ASP 8 1.218 -13.116 0.627 64 H ASP 9 HN ASP 9 2.076 -10.596 0.681 65 HA ASP 9 HA ASP 9 1.689 -9.873 3.403 66 HB2 ASP 9 HB2 ASP 9 3.998 -10.300 2.081 67 HB3 ASP 9 HB1 ASP 9 3.816 -8.614 1.747 68 H LEU 10 HN LEU 10 1.790 -8.002 0.392 69 HA LEU 10 HA LEU 10 1.437 -5.470 1.589 70 HB2 LEU 10 HB2 LEU 10 2.322 -5.654 -0.660 71 HB3 LEU 10 HB1 LEU 10 0.859 -6.431 -1.217 72 HG LEU 10 HG LEU 10 -0.388 -4.331 -0.936 73 HD11 LEU 10 HD11 LEU 10 2.247 -3.078 -0.172 74 HD12 LEU 10 HD12 LEU 10 0.917 -3.404 0.937 75 HD13 LEU 10 HD13 LEU 10 0.704 -2.254 -0.383 76 HD21 LEU 10 HD21 LEU 10 0.693 -4.799 -3.072 77 HD22 LEU 10 HD22 LEU 10 2.162 -3.998 -2.515 78 HD23 LEU 10 HD23 LEU 10 0.679 -3.068 -2.734 79 H ARG 11 HN ARG 11 -0.818 -7.841 0.281 80 HA ARG 11 HA ARG 11 -3.217 -6.493 0.495 81 HB2 ARG 11 HB2 ARG 11 -3.087 -8.731 -0.418 82 HB3 ARG 11 HB1 ARG 11 -2.637 -9.374 1.157 83 HG2 ARG 11 HG2 ARG 11 -4.818 -8.705 2.041 84 HG3 ARG 11 HG1 ARG 11 -5.268 -8.102 0.446 85 HD2 ARG 11 HD2 ARG 11 -6.182 -10.320 0.874 86 HD3 ARG 11 HD1 ARG 11 -5.049 -10.330 -0.476 87 HE ARG 11 HE ARG 11 -3.421 -11.298 1.040 88 HH11 ARG 11 HH11 ARG 11 -6.787 -11.343 2.123 89 HH12 ARG 11 HH12 ARG 11 -6.656 -12.827 2.955 90 HH21 ARG 11 HH21 ARG 11 -3.191 -13.345 2.257 91 HH22 ARG 11 HH22 ARG 11 -4.546 -13.964 3.048 92 H ARG 12 HN ARG 12 -1.523 -8.334 2.991 93 HA ARG 12 HA ARG 12 -3.380 -8.054 5.055 94 HB2 ARG 12 HB2 ARG 12 -0.381 -8.168 5.365 95 HB3 ARG 12 HB1 ARG 12 -1.574 -8.543 6.592 96 HG2 ARG 12 HG2 ARG 12 -2.305 -10.476 5.277 97 HG3 ARG 12 HG1 ARG 12 -1.079 -10.097 4.061 98 HD2 ARG 12 HD2 ARG 12 0.630 -10.229 5.887 99 HD3 ARG 12 HD1 ARG 12 -0.639 -10.842 6.939 100 HE ARG 12 HE ARG 12 0.107 -12.232 4.450 101 HH11 ARG 12 HH11 ARG 12 -0.731 -12.387 7.883 102 HH12 ARG 12 HH12 ARG 12 -0.213 -13.999 8.065 103 HH21 ARG 12 HH21 ARG 12 0.803 -14.324 4.676 104 HH22 ARG 12 HH22 ARG 12 0.784 -15.162 6.182 105 H ALA 13 HN ALA 13 -0.588 -6.070 4.210 106 HA ALA 13 HA ALA 13 -0.794 -4.263 6.352 107 HB1 ALA 13 HB1 ALA 13 1.249 -4.557 5.041 108 HB2 ALA 13 HB2 ALA 13 0.745 -2.867 5.089 109 HB3 ALA 13 HB3 ALA 13 0.456 -3.831 3.643 110 H LEU 14 HN LEU 14 -2.061 -4.176 3.075 111 HA LEU 14 HA LEU 14 -3.197 -1.590 3.201 112 HB2 LEU 14 HB2 LEU 14 -3.817 -3.993 1.501 113 HB3 LEU 14 HB1 LEU 14 -4.660 -2.472 1.322 114 HG LEU 14 HG LEU 14 -1.674 -2.782 0.958 115 HD11 LEU 14 HD11 LEU 14 -2.921 -4.090 -0.696 116 HD12 LEU 14 HD12 LEU 14 -2.175 -2.673 -1.436 117 HD13 LEU 14 HD13 LEU 14 -3.902 -2.676 -1.075 118 HD21 LEU 14 HD21 LEU 14 -1.825 -0.604 -0.076 119 HD22 LEU 14 HD22 LEU 14 -2.547 -0.505 1.541 120 HD23 LEU 14 HD23 LEU 14 -3.571 -0.598 0.119 121 H VAL 15 HN VAL 15 -4.587 -4.810 3.709 122 HA VAL 15 HA VAL 15 -7.150 -3.796 4.235 123 HB VAL 15 HB VAL 15 -6.671 -6.148 3.351 124 HG11 VAL 15 HG11 VAL 15 -6.347 -7.944 4.921 125 HG12 VAL 15 HG12 VAL 15 -6.094 -6.767 6.214 126 HG13 VAL 15 HG13 VAL 15 -4.976 -6.838 4.850 127 HG21 VAL 15 HG21 VAL 15 -8.908 -5.509 4.021 128 HG22 VAL 15 HG22 VAL 15 -8.549 -5.929 5.695 129 HG23 VAL 15 HG23 VAL 15 -8.592 -7.187 4.459 130 H GLU 16 HN GLU 16 -4.425 -3.964 6.243 131 HA GLU 16 HA GLU 16 -5.747 -4.004 8.730 132 HB2 GLU 16 HB2 GLU 16 -3.100 -2.777 7.962 133 HB3 GLU 16 HB1 GLU 16 -3.715 -2.762 9.606 134 HG2 GLU 16 HG2 GLU 16 -3.789 -5.239 9.541 135 HG3 GLU 16 HG1 GLU 16 -3.032 -5.176 7.949 136 H SER 17 HN SER 17 -5.233 -1.429 6.426 137 HA SER 17 HA SER 17 -6.454 0.481 8.217 138 HB2 SER 17 HB2 SER 17 -5.570 0.693 5.336 139 HB3 SER 17 HB1 SER 17 -6.429 1.988 6.168 140 HG SER 17 HG SER 17 -4.791 2.480 7.172 141 H ALA 18 HN ALA 18 -7.330 -0.820 5.011 142 HA ALA 18 HA ALA 18 -10.062 -0.032 5.432 143 HB1 ALA 18 HB1 ALA 18 -9.078 0.141 3.195 144 HB2 ALA 18 HB2 ALA 18 -10.472 -0.951 3.230 145 HB3 ALA 18 HB3 ALA 18 -8.837 -1.611 3.187 146 H GLY 19 HN GLY 19 -10.849 -1.175 7.046 147 HA2 GLY 19 HA2 GLY 19 -10.678 -4.085 6.880 148 HA3 GLY 19 HA1 GLY 19 -11.204 -3.182 8.312 149 H GLU 20 HN GLU 20 -12.664 -1.462 6.306 150 HA GLU 20 HA GLU 20 -15.068 -3.060 6.164 151 HB2 GLU 20 HB2 GLU 20 -16.161 -0.877 5.614 152 HB3 GLU 20 HB1 GLU 20 -15.399 -0.897 7.192 153 HG2 GLU 20 HG2 GLU 20 -14.007 0.268 4.792 154 HG3 GLU 20 HG1 GLU 20 -15.167 1.202 5.729 155 H THR 21 HN THR 21 -16.172 -3.258 4.114 156 HA THR 21 HA THR 21 -14.229 -3.216 1.988 157 HB THR 21 HB THR 21 -15.984 -4.747 0.866 158 HG1 THR 21 HG1 THR 21 -16.947 -5.830 3.055 159 HG21 THR 21 HG21 THR 21 -14.526 -5.647 3.360 160 HG22 THR 21 HG22 THR 21 -13.840 -5.539 1.739 161 HG23 THR 21 HG23 THR 21 -15.118 -6.707 2.080 162 H ASP 22 HN ASP 22 -14.936 -0.790 2.387 163 HA ASP 22 HA ASP 22 -17.159 -0.110 0.643 164 HB2 ASP 22 HB2 ASP 22 -15.427 1.582 2.436 165 HB3 ASP 22 HB1 ASP 22 -16.491 2.303 1.235 166 H GLY 23 HN GLY 23 -16.607 -0.571 -1.315 167 HA2 GLY 23 HA2 GLY 23 -15.540 0.839 -3.170 168 HA3 GLY 23 HA1 GLY 23 -14.040 0.348 -2.371 169 H THR 24 HN THR 24 -14.517 -2.122 -1.592 170 HA THR 24 HA THR 24 -15.861 -3.912 -3.065 171 HB THR 24 HB THR 24 -14.420 -3.163 -5.030 172 HG1 THR 24 HG1 THR 24 -14.176 -5.157 -5.773 173 HG21 THR 24 HG21 THR 24 -12.345 -2.656 -3.820 174 HG22 THR 24 HG22 THR 24 -12.042 -3.840 -5.091 175 HG23 THR 24 HG23 THR 24 -12.159 -4.361 -3.408 176 H ASP 25 HN ASP 25 -14.288 -6.124 -2.874 177 HA ASP 25 HA ASP 25 -13.499 -6.052 -0.060 178 HB2 ASP 25 HB2 ASP 25 -14.972 -7.916 -0.673 179 HB3 ASP 25 HB1 ASP 25 -13.840 -8.427 -1.920 180 H LEU 26 HN LEU 26 -11.532 -5.423 0.270 181 HA LEU 26 HA LEU 26 -9.465 -5.672 -1.691 182 HB2 LEU 26 HB2 LEU 26 -9.751 -3.823 0.098 183 HB3 LEU 26 HB1 LEU 26 -9.101 -4.978 1.234 184 HG LEU 26 HG LEU 26 -7.429 -3.339 0.509 185 HD11 LEU 26 HD11 LEU 26 -5.606 -4.808 -0.143 186 HD12 LEU 26 HD12 LEU 26 -6.762 -6.090 -0.506 187 HD13 LEU 26 HD13 LEU 26 -6.577 -5.512 1.150 188 HD21 LEU 26 HD21 LEU 26 -6.593 -3.332 -1.789 189 HD22 LEU 26 HD22 LEU 26 -8.283 -2.842 -1.681 190 HD23 LEU 26 HD23 LEU 26 -7.869 -4.460 -2.246 191 H SER 27 HN SER 27 -9.162 -7.786 -2.100 192 HA SER 27 HA SER 27 -7.693 -9.325 -0.193 193 HB2 SER 27 HB2 SER 27 -10.032 -9.720 0.489 194 HB3 SER 27 HB1 SER 27 -10.408 -10.240 -1.150 195 HG SER 27 HG SER 27 -10.054 -11.924 0.276 196 H GLY 28 HN GLY 28 -6.085 -9.615 -1.616 197 HA2 GLY 28 HA2 GLY 28 -4.976 -10.925 -3.197 198 HA3 GLY 28 HA1 GLY 28 -6.529 -11.533 -3.745 199 H ASP 29 HN ASP 29 -7.861 -9.651 -4.725 200 HA ASP 29 HA ASP 29 -6.344 -8.602 -6.983 201 HB2 ASP 29 HB2 ASP 29 -9.310 -8.482 -6.341 202 HB3 ASP 29 HB1 ASP 29 -8.587 -7.820 -7.795 203 H PHE 30 HN PHE 30 -5.346 -6.715 -6.738 204 HA PHE 30 HA PHE 30 -6.739 -4.395 -5.953 205 HB2 PHE 30 HB2 PHE 30 -5.407 -3.757 -3.962 206 HB3 PHE 30 HB1 PHE 30 -6.451 -5.141 -3.683 207 HD1 PHE 30 HD2 PHE 30 -2.998 -3.985 -3.984 208 HD2 PHE 30 HD1 PHE 30 -5.517 -7.312 -3.260 209 HE1 PHE 30 HE2 PHE 30 -1.076 -5.245 -3.127 210 HE2 PHE 30 HE1 PHE 30 -3.603 -8.577 -2.393 211 HZ PHE 30 HZ PHE 30 -1.376 -7.544 -2.333 212 H LEU 31 HN LEU 31 -3.650 -5.909 -6.749 213 HA LEU 31 HA LEU 31 -1.958 -3.729 -6.798 214 HB2 LEU 31 HB2 LEU 31 -1.994 -6.101 -8.623 215 HB3 LEU 31 HB1 LEU 31 -0.725 -4.904 -8.627 216 HG LEU 31 HG LEU 31 -1.419 -6.769 -6.363 217 HD11 LEU 31 HD11 LEU 31 -0.348 -7.825 -8.258 218 HD12 LEU 31 HD12 LEU 31 0.805 -7.706 -6.916 219 HD13 LEU 31 HD13 LEU 31 0.883 -6.570 -8.275 220 HD21 LEU 31 HD21 LEU 31 -0.619 -4.598 -5.528 221 HD22 LEU 31 HD22 LEU 31 0.784 -4.709 -6.592 222 HD23 LEU 31 HD23 LEU 31 0.580 -5.868 -5.277 223 H ASP 32 HN ASP 32 -4.223 -4.706 -9.253 224 HA ASP 32 HA ASP 32 -3.184 -2.726 -11.143 225 HB2 ASP 32 HB2 ASP 32 -3.652 -5.101 -11.797 226 HB3 ASP 32 HB1 ASP 32 -5.352 -4.810 -11.482 227 H LEU 33 HN LEU 33 -5.410 -2.949 -8.725 228 HA LEU 33 HA LEU 33 -7.450 -1.323 -9.972 229 HB2 LEU 33 HB2 LEU 33 -7.295 -2.475 -7.189 230 HB3 LEU 33 HB1 LEU 33 -8.676 -1.648 -7.880 231 HG LEU 33 HG LEU 33 -7.554 -4.291 -8.809 232 HD11 LEU 33 HD11 LEU 33 -10.102 -3.628 -7.353 233 HD12 LEU 33 HD12 LEU 33 -8.702 -4.474 -6.689 234 HD13 LEU 33 HD13 LEU 33 -9.654 -5.216 -7.974 235 HD21 LEU 33 HD21 LEU 33 -9.516 -4.385 -10.277 236 HD22 LEU 33 HD22 LEU 33 -8.474 -3.017 -10.673 237 HD23 LEU 33 HD23 LEU 33 -9.969 -2.755 -9.775 238 H ARG 34 HN ARG 34 -7.861 0.720 -9.416 239 HA ARG 34 HA ARG 34 -5.672 2.300 -8.438 240 HB2 ARG 34 HB2 ARG 34 -8.484 2.945 -9.278 241 HB3 ARG 34 HB1 ARG 34 -7.306 4.154 -8.801 242 HG2 ARG 34 HG2 ARG 34 -6.601 2.233 -10.965 243 HG3 ARG 34 HG1 ARG 34 -7.699 3.567 -11.327 244 HD2 ARG 34 HD2 ARG 34 -4.974 3.880 -10.081 245 HD3 ARG 34 HD1 ARG 34 -5.310 4.064 -11.803 246 HE ARG 34 HE ARG 34 -6.781 5.724 -9.878 247 HH11 ARG 34 HH11 ARG 34 -4.384 5.572 -12.493 248 HH12 ARG 34 HH12 ARG 34 -4.499 7.234 -12.836 249 HH21 ARG 34 HH21 ARG 34 -6.895 7.938 -10.347 250 HH22 ARG 34 HH22 ARG 34 -5.890 8.643 -11.545 251 H PHE 35 HN PHE 35 -5.447 3.180 -6.475 252 HA PHE 35 HA PHE 35 -6.673 2.289 -4.181 253 HB2 PHE 35 HB2 PHE 35 -5.406 4.989 -4.664 254 HB3 PHE 35 HB1 PHE 35 -5.918 4.428 -3.083 255 HD1 PHE 35 HD1 PHE 35 -4.944 1.957 -2.543 256 HD2 PHE 35 HD2 PHE 35 -3.191 4.835 -5.136 257 HE1 PHE 35 HE1 PHE 35 -2.737 0.936 -2.178 258 HE2 PHE 35 HE2 PHE 35 -0.985 3.815 -4.784 259 HZ PHE 35 HZ PHE 35 -0.755 1.862 -3.305 260 H GLU 36 HN GLU 36 -7.486 5.192 -6.014 261 HA GLU 36 HA GLU 36 -9.471 6.211 -4.390 262 HB2 GLU 36 HB2 GLU 36 -10.268 7.414 -6.370 263 HB3 GLU 36 HB1 GLU 36 -8.525 7.495 -6.174 264 HG2 GLU 36 HG2 GLU 36 -8.207 5.868 -7.923 265 HG3 GLU 36 HG1 GLU 36 -9.949 5.634 -8.062 266 H ASP 37 HN ASP 37 -9.727 3.560 -6.684 267 HA ASP 37 HA ASP 37 -12.623 3.641 -6.679 268 HB2 ASP 37 HB2 ASP 37 -10.682 1.698 -7.937 269 HB3 ASP 37 HB1 ASP 37 -12.420 1.578 -8.091 270 H ILE 38 HN ILE 38 -10.034 1.982 -5.103 271 HA ILE 38 HA ILE 38 -11.902 -0.007 -4.096 272 HB ILE 38 HB ILE 38 -9.918 -1.222 -3.198 273 HG12 ILE 38 HG12 ILE 38 -8.360 0.919 -4.687 274 HG13 ILE 38 HG11 ILE 38 -8.389 0.697 -2.945 275 HG21 ILE 38 HG21 ILE 38 -9.121 -1.980 -5.395 276 HG22 ILE 38 HG22 ILE 38 -9.889 -0.573 -6.138 277 HG23 ILE 38 HG23 ILE 38 -10.876 -1.795 -5.342 278 HD11 ILE 38 HD11 ILE 38 -6.336 -0.168 -3.914 279 HD12 ILE 38 HD12 ILE 38 -7.265 -1.242 -4.961 280 HD13 ILE 38 HD13 ILE 38 -7.289 -1.477 -3.213 281 H GLY 39 HN GLY 39 -11.617 2.838 -3.180 282 HA2 GLY 39 HA2 GLY 39 -12.458 3.734 -1.198 283 HA3 GLY 39 HA1 GLY 39 -12.245 2.174 -0.434 284 H TYR 40 HN TYR 40 -9.442 3.256 -2.003 285 HA TYR 40 HA TYR 40 -8.336 3.854 0.610 286 HB2 TYR 40 HB2 TYR 40 -7.050 2.964 -1.939 287 HB3 TYR 40 HB1 TYR 40 -6.113 3.706 -0.647 288 HD1 TYR 40 HD1 TYR 40 -8.443 0.915 -1.345 289 HD2 TYR 40 HD2 TYR 40 -5.368 2.465 1.121 290 HE1 TYR 40 HE1 TYR 40 -8.295 -1.234 -0.199 291 HE2 TYR 40 HE2 TYR 40 -5.190 0.342 2.276 292 HH TYR 40 HH TYR 40 -6.593 -1.654 2.692 293 H ASP 41 HN ASP 41 -8.781 5.846 1.027 294 HA ASP 41 HA ASP 41 -8.054 7.901 -0.871 295 HB2 ASP 41 HB2 ASP 41 -8.894 9.489 0.723 296 HB3 ASP 41 HB1 ASP 41 -10.035 8.152 0.712 297 H SER 42 HN SER 42 -6.602 9.622 0.005 298 HA SER 42 HA SER 42 -4.072 8.670 0.293 299 HB2 SER 42 HB2 SER 42 -3.720 11.133 0.979 300 HB3 SER 42 HB1 SER 42 -4.365 10.757 -0.632 301 H LEU 43 HN LEU 43 -6.358 9.465 2.924 302 HA LEU 43 HA LEU 43 -4.248 9.500 4.881 303 HB2 LEU 43 HB2 LEU 43 -6.315 10.900 5.066 304 HB3 LEU 43 HB1 LEU 43 -7.242 9.441 5.312 305 HG LEU 43 HG LEU 43 -5.025 10.214 7.211 306 HD11 LEU 43 HD11 LEU 43 -6.723 11.311 8.576 307 HD12 LEU 43 HD12 LEU 43 -7.910 11.062 7.285 308 HD13 LEU 43 HD13 LEU 43 -6.503 12.095 7.008 309 HD21 LEU 43 HD21 LEU 43 -5.949 7.930 7.397 310 HD22 LEU 43 HD22 LEU 43 -7.568 8.610 7.573 311 HD23 LEU 43 HD23 LEU 43 -6.348 8.909 8.811 312 H ALA 44 HN ALA 44 -6.766 7.270 3.829 313 HA ALA 44 HA ALA 44 -6.149 5.219 5.700 314 HB1 ALA 44 HB1 ALA 44 -7.366 3.718 4.175 315 HB2 ALA 44 HB2 ALA 44 -7.330 4.960 2.924 316 HB3 ALA 44 HB3 ALA 44 -8.244 5.229 4.408 317 H LEU 45 HN LEU 45 -4.815 6.215 2.710 318 HA LEU 45 HA LEU 45 -3.169 3.934 2.289 319 HB2 LEU 45 HB2 LEU 45 -3.929 5.301 0.450 320 HB3 LEU 45 HB1 LEU 45 -3.095 6.691 1.104 321 HG LEU 45 HG LEU 45 -0.940 5.616 0.670 322 HD11 LEU 45 HD11 LEU 45 -1.630 3.279 0.934 323 HD12 LEU 45 HD12 LEU 45 -0.841 3.540 -0.620 324 HD13 LEU 45 HD13 LEU 45 -2.596 3.396 -0.538 325 HD21 LEU 45 HD21 LEU 45 -2.816 5.619 -1.662 326 HD22 LEU 45 HD22 LEU 45 -1.051 5.737 -1.758 327 HD23 LEU 45 HD23 LEU 45 -1.997 7.030 -0.988 328 H MET 46 HN MET 46 -2.673 7.150 3.731 329 HA MET 46 HA MET 46 0.118 6.988 3.963 330 HB2 MET 46 HB2 MET 46 0.053 8.862 5.449 331 HB3 MET 46 HB1 MET 46 -1.211 9.102 4.278 332 HG2 MET 46 HG2 MET 46 -2.179 9.802 6.299 333 HG3 MET 46 HG1 MET 46 -2.790 8.193 6.054 334 HE1 MET 46 HE1 MET 46 0.096 10.201 7.912 335 HE2 MET 46 HE2 MET 46 0.904 8.798 7.213 336 HE3 MET 46 HE3 MET 46 0.729 8.933 8.962 337 H GLU 47 HN GLU 47 -2.406 5.784 5.978 338 HA GLU 47 HA GLU 47 -0.959 5.070 8.252 339 HB2 GLU 47 HB2 GLU 47 -3.263 3.822 6.874 340 HB3 GLU 47 HB1 GLU 47 -2.769 3.331 8.510 341 HG2 GLU 47 HG2 GLU 47 -3.260 5.735 9.113 342 HG3 GLU 47 HG1 GLU 47 -3.952 5.896 7.494 343 H THR 48 HN THR 48 -1.804 3.221 5.372 344 HA THR 48 HA THR 48 -0.403 0.880 6.007 345 HB THR 48 HB THR 48 -1.133 1.962 3.273 346 HG1 THR 48 HG1 THR 48 -3.065 1.757 4.322 347 HG21 THR 48 HG21 THR 48 -1.094 -0.413 2.605 348 HG22 THR 48 HG22 THR 48 -0.620 -0.863 4.239 349 HG23 THR 48 HG23 THR 48 0.475 0.088 3.233 350 H ALA 49 HN ALA 49 0.505 3.759 4.153 351 HA ALA 49 HA ALA 49 3.007 2.952 3.246 352 HB1 ALA 49 HB1 ALA 49 2.159 5.731 4.080 353 HB2 ALA 49 HB2 ALA 49 1.887 5.009 2.492 354 HB3 ALA 49 HB3 ALA 49 3.529 5.334 3.043 355 H ALA 50 HN ALA 50 2.237 4.825 6.183 356 HA ALA 50 HA ALA 50 4.817 4.864 7.266 357 HB1 ALA 50 HB1 ALA 50 2.999 6.337 7.994 358 HB2 ALA 50 HB2 ALA 50 3.724 5.487 9.359 359 HB3 ALA 50 HB3 ALA 50 2.170 4.956 8.714 360 H ARG 51 HN ARG 51 2.217 2.581 7.581 361 HA ARG 51 HA ARG 51 3.167 0.898 9.602 362 HB2 ARG 51 HB2 ARG 51 0.883 0.915 8.649 363 HB3 ARG 51 HB1 ARG 51 1.510 0.247 7.160 364 HG2 ARG 51 HG2 ARG 51 2.024 -1.835 8.288 365 HG3 ARG 51 HG1 ARG 51 1.504 -1.141 9.834 366 HD2 ARG 51 HD2 ARG 51 -0.245 -1.486 7.386 367 HD3 ARG 51 HD1 ARG 51 -0.283 -2.511 8.825 368 HE ARG 51 HE ARG 51 -0.862 -0.401 10.056 369 HH11 ARG 51 HH11 ARG 51 -1.998 -0.938 6.688 370 HH12 ARG 51 HH12 ARG 51 -3.169 0.289 6.800 371 HH21 ARG 51 HH21 ARG 51 -2.563 1.246 10.110 372 HH22 ARG 51 HH22 ARG 51 -3.533 1.456 8.720 373 H LEU 52 HN LEU 52 3.588 0.735 6.083 374 HA LEU 52 HA LEU 52 5.318 -1.520 6.159 375 HB2 LEU 52 HB2 LEU 52 4.837 0.538 4.014 376 HB3 LEU 52 HB1 LEU 52 5.860 -0.868 3.800 377 HG LEU 52 HG LEU 52 2.913 -0.982 4.431 378 HD11 LEU 52 HD11 LEU 52 4.374 -1.434 1.831 379 HD12 LEU 52 HD12 LEU 52 3.319 -0.071 2.199 380 HD13 LEU 52 HD13 LEU 52 2.653 -1.702 2.104 381 HD21 LEU 52 HD21 LEU 52 3.138 -3.351 3.860 382 HD22 LEU 52 HD22 LEU 52 4.142 -2.912 5.241 383 HD23 LEU 52 HD23 LEU 52 4.879 -3.134 3.656 384 H GLU 53 HN GLU 53 5.845 1.961 6.084 385 HA GLU 53 HA GLU 53 8.587 2.009 5.701 386 HB2 GLU 53 HB2 GLU 53 6.852 3.842 7.318 387 HB3 GLU 53 HB1 GLU 53 8.563 4.128 7.050 388 HG2 GLU 53 HG2 GLU 53 8.156 4.171 4.656 389 HG3 GLU 53 HG1 GLU 53 6.431 3.969 4.945 390 H SER 54 HN SER 54 6.951 2.180 8.857 391 HA SER 54 HA SER 54 9.358 2.014 10.270 392 HB2 SER 54 HB2 SER 54 6.544 1.448 11.205 393 HB3 SER 54 HB1 SER 54 7.939 1.771 12.248 394 HG SER 54 HG SER 54 8.067 3.730 10.710 395 H ARG 55 HN ARG 55 7.129 -0.496 9.221 396 HA ARG 55 HA ARG 55 8.261 -2.601 10.735 397 HB2 ARG 55 HB2 ARG 55 6.036 -2.816 9.853 398 HB3 ARG 55 HB1 ARG 55 6.614 -2.610 8.209 399 HG2 ARG 55 HG2 ARG 55 7.767 -4.743 8.332 400 HG3 ARG 55 HG1 ARG 55 7.232 -4.946 10.003 401 HD2 ARG 55 HD2 ARG 55 4.938 -5.022 9.315 402 HD3 ARG 55 HD1 ARG 55 5.375 -4.612 7.657 403 HE ARG 55 HE ARG 55 6.427 -7.064 8.847 404 HH11 ARG 55 HH11 ARG 55 4.026 -5.620 6.676 405 HH12 ARG 55 HH12 ARG 55 4.054 -6.974 5.602 406 HH21 ARG 55 HH21 ARG 55 6.299 -8.907 7.437 407 HH22 ARG 55 HH22 ARG 55 5.292 -8.859 6.042 408 H TYR 56 HN TYR 56 8.818 -1.555 7.376 409 HA TYR 56 HA TYR 56 10.867 -3.590 7.087 410 HB2 TYR 56 HB2 TYR 56 9.583 -1.714 5.118 411 HB3 TYR 56 HB1 TYR 56 10.963 -2.724 4.700 412 HD1 TYR 56 HD2 TYR 56 10.749 -5.147 4.664 413 HD2 TYR 56 HD1 TYR 56 7.377 -2.666 5.362 414 HE1 TYR 56 HE2 TYR 56 9.277 -7.041 4.186 415 HE2 TYR 56 HE1 TYR 56 5.880 -4.547 4.888 416 HH TYR 56 HH TYR 56 5.848 -6.732 3.842 417 H GLY 57 HN GLY 57 10.789 -0.450 8.137 418 HA2 GLY 57 HA2 GLY 57 12.565 0.829 8.871 419 HA3 GLY 57 HA1 GLY 57 13.668 -0.311 8.116 420 H VAL 58 HN VAL 58 11.135 0.916 6.195 421 HA VAL 58 HA VAL 58 13.159 2.253 4.578 422 HB VAL 58 HB VAL 58 11.627 2.113 2.681 423 HG11 VAL 58 HG11 VAL 58 11.832 -0.498 4.136 424 HG12 VAL 58 HG12 VAL 58 13.059 0.208 3.070 425 HG13 VAL 58 HG13 VAL 58 11.499 -0.306 2.416 426 HG21 VAL 58 HG21 VAL 58 9.496 2.386 3.839 427 HG22 VAL 58 HG22 VAL 58 9.684 0.800 4.586 428 HG23 VAL 58 HG23 VAL 58 9.474 0.928 2.840 429 H SER 59 HN SER 59 12.245 4.159 3.280 430 HA SER 59 HA SER 59 10.445 5.767 4.956 431 HB2 SER 59 HB2 SER 59 13.008 6.784 3.694 432 HB3 SER 59 HB1 SER 59 11.905 7.696 4.730 433 HG SER 59 HG SER 59 12.867 5.311 5.710 434 H ILE 60 HN ILE 60 8.781 6.319 3.775 435 HA ILE 60 HA ILE 60 9.025 6.399 0.855 436 HB ILE 60 HB ILE 60 6.511 6.269 2.562 437 HG12 ILE 60 HG12 ILE 60 7.823 4.129 0.856 438 HG13 ILE 60 HG11 ILE 60 7.856 4.187 2.614 439 HG21 ILE 60 HG21 ILE 60 6.117 7.426 0.440 440 HG22 ILE 60 HG22 ILE 60 5.334 5.843 0.433 441 HG23 ILE 60 HG23 ILE 60 6.846 6.082 -0.442 442 HD11 ILE 60 HD11 ILE 60 6.218 2.587 1.803 443 HD12 ILE 60 HD12 ILE 60 5.401 3.863 0.900 444 HD13 ILE 60 HD13 ILE 60 5.427 3.908 2.663 445 HA PRO 61 HA PRO 61 8.873 10.864 1.390 446 HB2 PRO 61 HB2 PRO 61 9.231 10.851 -1.529 447 HB3 PRO 61 HB1 PRO 61 10.267 11.548 -0.278 448 HG2 PRO 61 HG2 PRO 61 10.999 9.367 -1.660 449 HG3 PRO 61 HG1 PRO 61 11.422 9.578 0.052 450 HD2 PRO 61 HD2 PRO 61 9.228 7.946 -1.171 451 HD3 PRO 61 HD1 PRO 61 10.350 7.517 0.140 452 H ASP 62 HN ASP 62 7.514 12.515 0.685 453 HA ASP 62 HA ASP 62 4.787 11.987 0.451 454 HB2 ASP 62 HB2 ASP 62 6.201 14.523 -0.419 455 HB3 ASP 62 HB1 ASP 62 4.517 14.366 0.050 456 H ASP 63 HN ASP 63 7.194 12.817 -1.951 457 HA ASP 63 HA ASP 63 5.408 13.248 -4.127 458 HB2 ASP 63 HB2 ASP 63 8.366 12.675 -4.068 459 HB3 ASP 63 HB1 ASP 63 7.484 12.916 -5.563 460 H VAL 64 HN VAL 64 7.005 10.462 -2.887 461 HA VAL 64 HA VAL 64 6.508 8.872 -5.235 462 HB VAL 64 HB VAL 64 7.248 7.953 -2.440 463 HG11 VAL 64 HG11 VAL 64 6.282 6.187 -3.808 464 HG12 VAL 64 HG12 VAL 64 8.008 5.909 -3.569 465 HG13 VAL 64 HG13 VAL 64 7.418 6.552 -5.103 466 HG21 VAL 64 HG21 VAL 64 8.933 9.468 -3.343 467 HG22 VAL 64 HG22 VAL 64 9.006 8.519 -4.827 468 HG23 VAL 64 HG23 VAL 64 9.545 7.815 -3.302 469 H ALA 65 HN ALA 65 5.206 9.060 -1.951 470 HA ALA 65 HA ALA 65 3.212 7.111 -2.235 471 HB1 ALA 65 HB1 ALA 65 3.995 7.969 -0.082 472 HB2 ALA 65 HB2 ALA 65 2.239 8.077 -0.225 473 HB3 ALA 65 HB3 ALA 65 3.232 9.520 -0.427 474 H GLY 66 HN GLY 66 3.245 10.506 -3.109 475 HA2 GLY 66 HA2 GLY 66 0.426 10.603 -3.622 476 HA3 GLY 66 HA1 GLY 66 1.609 11.851 -3.978 477 H ARG 67 HN ARG 67 3.189 9.605 -5.476 478 HA ARG 67 HA ARG 67 1.727 10.123 -7.945 479 HB2 ARG 67 HB2 ARG 67 3.755 9.648 -9.182 480 HB3 ARG 67 HB1 ARG 67 4.068 10.836 -7.934 481 HG2 ARG 67 HG2 ARG 67 5.074 9.011 -6.549 482 HG3 ARG 67 HG1 ARG 67 4.869 7.922 -7.916 483 HD2 ARG 67 HD2 ARG 67 6.259 9.353 -9.313 484 HD3 ARG 67 HD1 ARG 67 6.410 10.517 -8.001 485 HE ARG 67 HE ARG 67 7.426 7.772 -7.760 486 HH11 ARG 67 HH11 ARG 67 7.983 11.310 -7.592 487 HH12 ARG 67 HH12 ARG 67 9.580 11.192 -7.054 488 HH21 ARG 67 HH21 ARG 67 9.699 7.618 -7.048 489 HH22 ARG 67 HH22 ARG 67 10.576 9.045 -6.723 490 H VAL 68 HN VAL 68 2.198 7.578 -5.834 491 HA VAL 68 HA VAL 68 1.929 5.555 -7.870 492 HB VAL 68 HB VAL 68 1.805 3.920 -5.976 493 HG11 VAL 68 HG11 VAL 68 4.103 5.863 -5.841 494 HG12 VAL 68 HG12 VAL 68 3.951 4.492 -6.936 495 HG13 VAL 68 HG13 VAL 68 4.119 4.219 -5.202 496 HG21 VAL 68 HG21 VAL 68 0.750 5.329 -4.265 497 HG22 VAL 68 HG22 VAL 68 2.186 6.356 -4.217 498 HG23 VAL 68 HG23 VAL 68 2.284 4.678 -3.679 499 H ASP 69 HN ASP 69 0.151 5.196 -8.840 500 HA ASP 69 HA ASP 69 -2.395 6.135 -7.762 501 HB2 ASP 69 HB2 ASP 69 -1.780 4.883 -10.446 502 HB3 ASP 69 HB1 ASP 69 -3.303 5.625 -9.984 503 H THR 70 HN THR 70 -0.737 3.153 -8.306 504 HA THR 70 HA THR 70 -3.062 1.687 -7.343 505 HB THR 70 HB THR 70 -2.171 -0.202 -8.872 506 HG1 THR 70 HG1 THR 70 -1.283 1.775 -10.612 507 HG21 THR 70 HG21 THR 70 -3.457 2.232 -10.128 508 HG22 THR 70 HG22 THR 70 -4.305 0.935 -9.288 509 HG23 THR 70 HG23 THR 70 -3.463 0.604 -10.804 510 HA PRO 71 HA PRO 71 -0.374 -0.054 -4.285 511 HB2 PRO 71 HB2 PRO 71 -1.440 -2.720 -5.077 512 HB3 PRO 71 HB1 PRO 71 -1.385 -1.961 -3.482 513 HG2 PRO 71 HG2 PRO 71 -3.672 -2.085 -4.797 514 HG3 PRO 71 HG1 PRO 71 -3.230 -0.608 -3.915 515 HD2 PRO 71 HD2 PRO 71 -3.112 -1.172 -6.848 516 HD3 PRO 71 HD1 PRO 71 -3.630 0.302 -6.005 517 H ARG 72 HN ARG 72 -0.480 -1.622 -7.418 518 HA ARG 72 HA ARG 72 1.779 -3.249 -7.433 519 HB2 ARG 72 HB2 ARG 72 0.094 -2.904 -9.267 520 HB3 ARG 72 HB1 ARG 72 0.924 -1.406 -9.654 521 HG2 ARG 72 HG2 ARG 72 3.015 -2.909 -9.907 522 HG3 ARG 72 HG1 ARG 72 1.842 -4.225 -10.016 523 HD2 ARG 72 HD2 ARG 72 2.134 -1.833 -11.813 524 HD3 ARG 72 HD1 ARG 72 2.281 -3.530 -12.226 525 HE ARG 72 HE ARG 72 -0.085 -3.780 -11.953 526 HH11 ARG 72 HH11 ARG 72 1.009 -0.348 -11.956 527 HH12 ARG 72 HH12 ARG 72 -0.486 0.211 -12.553 528 HH21 ARG 72 HH21 ARG 72 -2.147 -2.853 -12.830 529 HH22 ARG 72 HH22 ARG 72 -2.235 -1.168 -13.015 530 H GLU 73 HN GLU 73 1.461 0.179 -8.112 531 HA GLU 73 HA GLU 73 4.137 0.721 -8.814 532 HB2 GLU 73 HB2 GLU 73 2.035 2.594 -7.752 533 HB3 GLU 73 HB1 GLU 73 3.453 3.030 -8.693 534 HG2 GLU 73 HG2 GLU 73 1.133 1.374 -9.651 535 HG3 GLU 73 HG1 GLU 73 1.445 3.061 -10.047 536 H LEU 74 HN LEU 74 2.310 0.977 -5.841 537 HA LEU 74 HA LEU 74 4.342 2.218 -4.307 538 HB2 LEU 74 HB2 LEU 74 1.868 2.181 -3.784 539 HB3 LEU 74 HB1 LEU 74 2.019 0.500 -3.351 540 HG LEU 74 HG LEU 74 1.838 2.107 -1.429 541 HD11 LEU 74 HD11 LEU 74 3.561 1.099 -0.041 542 HD12 LEU 74 HD12 LEU 74 4.350 0.465 -1.487 543 HD13 LEU 74 HD13 LEU 74 2.738 -0.097 -1.043 544 HD21 LEU 74 HD21 LEU 74 3.823 3.398 -0.785 545 HD22 LEU 74 HD22 LEU 74 3.157 3.935 -2.328 546 HD23 LEU 74 HD23 LEU 74 4.606 2.933 -2.296 547 H LEU 75 HN LEU 75 3.380 -1.102 -4.924 548 HA LEU 75 HA LEU 75 5.088 -2.531 -3.268 549 HB2 LEU 75 HB2 LEU 75 3.227 -3.460 -4.612 550 HB3 LEU 75 HB1 LEU 75 4.166 -3.208 -6.062 551 HG LEU 75 HG LEU 75 5.822 -4.854 -5.229 552 HD11 LEU 75 HD11 LEU 75 5.184 -6.290 -3.356 553 HD12 LEU 75 HD12 LEU 75 3.785 -5.260 -3.046 554 HD13 LEU 75 HD13 LEU 75 5.416 -4.617 -2.856 555 HD21 LEU 75 HD21 LEU 75 2.971 -5.815 -5.405 556 HD22 LEU 75 HD22 LEU 75 4.411 -6.810 -5.625 557 HD23 LEU 75 HD23 LEU 75 4.053 -5.510 -6.763 558 H ASP 76 HN ASP 76 5.619 -1.220 -6.519 559 HA ASP 76 HA ASP 76 8.204 -2.103 -7.076 560 HB2 ASP 76 HB2 ASP 76 6.870 0.514 -7.772 561 HB3 ASP 76 HB1 ASP 76 8.520 0.175 -8.249 562 H LEU 77 HN LEU 77 7.184 0.751 -5.311 563 HA LEU 77 HA LEU 77 9.769 1.753 -4.803 564 HB2 LEU 77 HB2 LEU 77 7.727 3.143 -4.674 565 HB3 LEU 77 HB1 LEU 77 7.195 2.254 -3.274 566 HG LEU 77 HG LEU 77 8.093 4.559 -2.840 567 HD11 LEU 77 HD11 LEU 77 9.384 4.013 -0.846 568 HD12 LEU 77 HD12 LEU 77 9.531 2.343 -1.401 569 HD13 LEU 77 HD13 LEU 77 7.947 3.001 -0.997 570 HD21 LEU 77 HD21 LEU 77 9.927 4.587 -4.414 571 HD22 LEU 77 HD22 LEU 77 10.739 3.295 -3.532 572 HD23 LEU 77 HD23 LEU 77 10.528 4.876 -2.781 573 H ILE 78 HN ILE 78 7.618 -0.281 -2.885 574 HA ILE 78 HA ILE 78 9.311 -0.367 -0.617 575 HB ILE 78 HB ILE 78 7.253 -2.422 -1.483 576 HG12 ILE 78 HG12 ILE 78 6.287 -0.193 -1.154 577 HG13 ILE 78 HG11 ILE 78 5.756 -1.298 0.104 578 HG21 ILE 78 HG21 ILE 78 7.242 -3.135 0.875 579 HG22 ILE 78 HG22 ILE 78 8.562 -2.010 1.215 580 HG23 ILE 78 HG23 ILE 78 8.823 -3.373 0.128 581 HD11 ILE 78 HD11 ILE 78 7.367 -0.298 1.652 582 HD12 ILE 78 HD12 ILE 78 6.257 0.906 1.001 583 HD13 ILE 78 HD13 ILE 78 7.904 0.799 0.377 584 H ASN 79 HN ASN 79 8.958 -2.574 -3.372 585 HA ASN 79 HA ASN 79 10.859 -4.458 -2.469 586 HB2 ASN 79 HB2 ASN 79 9.744 -3.845 -5.202 587 HB3 ASN 79 HB1 ASN 79 11.059 -4.994 -5.020 588 HD21 ASN 79 HD21 ASN 79 8.572 -4.739 -2.569 589 HD22 ASN 79 HD22 ASN 79 7.791 -6.237 -2.944 590 H GLY 80 HN GLY 80 11.214 -1.540 -4.431 591 HA2 GLY 80 HA2 GLY 80 13.991 -1.893 -4.933 592 HA3 GLY 80 HA1 GLY 80 13.085 -0.394 -5.096 593 H ALA 81 HN ALA 81 12.153 -0.235 -2.420 594 HA ALA 81 HA ALA 81 14.376 1.032 -1.201 595 HB1 ALA 81 HB1 ALA 81 12.842 1.546 0.619 596 HB2 ALA 81 HB2 ALA 81 11.671 0.398 -0.031 597 HB3 ALA 81 HB3 ALA 81 12.081 1.850 -0.943 598 H LEU 82 HN LEU 82 13.098 -2.141 -1.016 599 HA LEU 82 HA LEU 82 14.226 -2.782 1.515 600 HB2 LEU 82 HB2 LEU 82 13.168 -4.551 -0.671 601 HB3 LEU 82 HB1 LEU 82 13.803 -5.169 0.841 602 HG LEU 82 HG LEU 82 11.414 -3.367 0.526 603 HD11 LEU 82 HD11 LEU 82 10.994 -5.649 -0.184 604 HD12 LEU 82 HD12 LEU 82 10.162 -5.297 1.333 605 HD13 LEU 82 HD13 LEU 82 11.645 -6.253 1.338 606 HD21 LEU 82 HD21 LEU 82 12.637 -4.580 2.997 607 HD22 LEU 82 HD22 LEU 82 11.110 -3.698 2.926 608 HD23 LEU 82 HD23 LEU 82 12.625 -2.869 2.564 609 H ALA 83 HN ALA 83 15.651 -2.314 -1.466 610 HA ALA 83 HA ALA 83 17.712 -4.231 -1.398 611 HB1 ALA 83 HB1 ALA 83 17.248 -2.867 -3.383 612 HB2 ALA 83 HB2 ALA 83 18.931 -2.698 -2.887 613 HB3 ALA 83 HB3 ALA 83 17.770 -1.419 -2.520 614 H GLU 84 HN GLU 84 17.612 -0.867 -0.254 615 HA GLU 84 HA GLU 84 20.019 -1.256 1.332 616 HB2 GLU 84 HB2 GLU 84 19.432 0.849 0.059 617 HB3 GLU 84 HB1 GLU 84 18.152 1.105 1.232 618 HG2 GLU 84 HG2 GLU 84 19.982 2.442 1.890 619 HG3 GLU 84 HG1 GLU 84 19.922 1.076 3.011 620 H ALA 85 HN ALA 85 16.603 -1.370 1.596 621 HA ALA 85 HA ALA 85 15.092 -1.692 3.199 622 HB1 ALA 85 HB1 ALA 85 17.432 -2.227 5.071 623 HB2 ALA 85 HB2 ALA 85 16.576 -3.457 4.141 624 HB3 ALA 85 HB3 ALA 85 15.738 -2.577 5.422 625 H ALA 86 HN ALA 86 15.640 0.705 2.428 626 HA ALA 86 HA ALA 86 14.884 2.400 4.553 627 HB1 ALA 86 HB1 ALA 86 17.616 2.823 3.304 628 HB2 ALA 86 HB2 ALA 86 17.310 2.384 4.984 629 HB3 ALA 86 HB3 ALA 86 16.795 3.958 4.377 630 H28 SXH 87 H28B SXH 87 -4.357 11.609 3.055 631 H28A SXH 87 H28A SXH 87 -5.207 13.015 3.697 632 H30 SXH 87 H30C SXH 87 -3.748 12.471 5.676 633 H30A SXH 87 H30A SXH 87 -1.994 12.644 5.545 634 H30B SXH 87 H30B SXH 87 -2.810 11.300 4.748 635 H31 SXH 87 H31A SXH 87 -2.030 13.453 1.910 636 H31A SXH 87 H31C SXH 87 -0.969 13.266 3.307 637 H31B SXH 87 H31B SXH 87 -1.792 11.861 2.630 638 H32 SXH 87 H32A SXH 87 -4.006 14.902 4.772 639 HO33 SXH 87 H33A SXH 87 -2.856 16.278 2.987 640 HN36 SXH 87 H36A SXH 87 -2.478 14.627 6.489 641 H37 SXH 87 H37A SXH 87 0.219 15.786 6.133 642 H37A SXH 87 H37B SXH 87 -0.908 16.493 7.260 643 H38 SXH 87 H38A SXH 87 0.517 15.118 8.501 644 H38A SXH 87 H38B SXH 87 -1.093 14.372 8.510 645 HN41 SXH 87 H41A SXH 87 1.053 14.165 5.785 646 H42 SXH 87 H42A SXH 87 2.620 11.959 6.341 647 H42A SXH 87 H42B SXH 87 1.120 11.344 5.647 648 H43 SXH 87 H43A SXH 87 2.933 13.409 4.372 649 H43A SXH 87 H43B SXH 87 1.500 12.675 3.624 650 H2 SXH 87 H2A SXH 87 1.149 11.152 2.131 651 H2A SXH 87 H2B SXH 87 0.067 10.441 3.319 652 H3 SXH 87 H3A SXH 87 0.361 8.242 2.354 653 H3A SXH 87 H3B SXH 87 1.525 8.880 1.195 654 H4 SXH 87 H4B SXH 87 -0.704 8.542 0.194 655 H4A SXH 87 H4A SXH 87 -1.378 9.693 1.349 656 H5 SXH 87 H5A SXH 87 0.769 10.316 -0.696 657 H5A SXH 87 H5B SXH 87 0.023 11.466 0.428 658 H6 SXH 87 H6C SXH 87 -0.979 11.601 -1.808 659 H6A SXH 87 H6A SXH 87 -2.152 11.042 -0.614 660 H6B SXH 87 H6B SXH 87 -1.401 9.890 -1.715 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 10.787 -17.172 2.434 2 H2 MET 1 HT2 MET 1 10.242 -17.170 4.028 3 H3 MET 1 HT3 MET 1 11.683 -17.961 3.624 4 HA MET 1 HA MET 1 12.072 -15.790 4.681 5 HB2 MET 1 HB2 MET 1 12.795 -16.013 1.755 6 HB3 MET 1 HB1 MET 1 13.426 -14.752 2.801 7 HG2 MET 1 HG2 MET 1 13.807 -17.705 3.211 8 HG3 MET 1 HG1 MET 1 14.986 -16.613 2.483 9 HE1 MET 1 HE1 MET 1 15.639 -18.506 4.947 10 HE2 MET 1 HE2 MET 1 16.571 -17.408 5.964 11 HE3 MET 1 HE3 MET 1 16.807 -17.408 4.216 12 H ALA 2 HN ALA 2 12.218 -13.390 3.986 13 HA ALA 2 HA ALA 2 9.692 -12.569 2.719 14 HB1 ALA 2 HB1 ALA 2 9.580 -10.747 4.355 15 HB2 ALA 2 HB2 ALA 2 11.033 -11.364 5.141 16 HB3 ALA 2 HB3 ALA 2 9.551 -12.320 5.149 17 H THR 3 HN THR 3 12.465 -12.892 1.751 18 HA THR 3 HA THR 3 13.603 -10.300 1.405 19 HB THR 3 HB THR 3 14.893 -11.679 -0.395 20 HG1 THR 3 HG1 THR 3 13.073 -13.341 -0.168 21 HG21 THR 3 HG21 THR 3 14.987 -12.506 2.514 22 HG22 THR 3 HG22 THR 3 15.817 -11.116 1.819 23 HG23 THR 3 HG23 THR 3 16.276 -12.751 1.337 24 H LEU 4 HN LEU 4 12.422 -8.888 0.330 25 HA LEU 4 HA LEU 4 11.362 -7.766 -1.278 26 HB2 LEU 4 HB2 LEU 4 11.614 -10.276 -2.927 27 HB3 LEU 4 HB1 LEU 4 10.916 -8.785 -3.544 28 HG LEU 4 HG LEU 4 13.780 -9.236 -2.696 29 HD11 LEU 4 HD11 LEU 4 14.281 -8.872 -5.056 30 HD12 LEU 4 HD12 LEU 4 12.555 -8.737 -5.398 31 HD13 LEU 4 HD13 LEU 4 13.224 -10.263 -4.820 32 HD21 LEU 4 HD21 LEU 4 14.192 -6.959 -3.509 33 HD22 LEU 4 HD22 LEU 4 13.071 -6.970 -2.149 34 HD23 LEU 4 HD23 LEU 4 12.464 -6.750 -3.790 35 H LEU 5 HN LEU 5 9.310 -7.229 -1.325 36 HA LEU 5 HA LEU 5 7.519 -8.875 0.163 37 HB2 LEU 5 HB2 LEU 5 7.782 -6.323 0.181 38 HB3 LEU 5 HB1 LEU 5 6.896 -6.335 -1.323 39 HG LEU 5 HG LEU 5 5.007 -7.447 -0.098 40 HD11 LEU 5 HD11 LEU 5 5.020 -7.283 2.334 41 HD12 LEU 5 HD12 LEU 5 6.683 -6.695 2.289 42 HD13 LEU 5 HD13 LEU 5 6.311 -8.333 1.753 43 HD21 LEU 5 HD21 LEU 5 5.898 -4.738 0.890 44 HD22 LEU 5 HD22 LEU 5 4.256 -5.381 0.962 45 HD23 LEU 5 HD23 LEU 5 5.007 -5.055 -0.601 46 H THR 6 HN THR 6 5.734 -9.978 -0.634 47 HA THR 6 HA THR 6 5.636 -10.233 -3.534 48 HB THR 6 HB THR 6 4.317 -12.269 -3.151 49 HG1 THR 6 HG1 THR 6 4.722 -12.083 -0.314 50 HG21 THR 6 HG21 THR 6 6.032 -13.658 -2.060 51 HG22 THR 6 HG22 THR 6 6.804 -12.200 -1.432 52 HG23 THR 6 HG23 THR 6 6.760 -12.495 -3.170 53 H THR 7 HN THR 7 3.318 -10.588 -4.369 54 HA THR 7 HA THR 7 1.745 -8.352 -3.916 55 HB THR 7 HB THR 7 0.793 -11.028 -4.996 56 HG1 THR 7 HG1 THR 7 1.662 -9.147 -6.803 57 HG21 THR 7 HG21 THR 7 -0.675 -9.634 -6.391 58 HG22 THR 7 HG22 THR 7 0.016 -8.176 -5.701 59 HG23 THR 7 HG23 THR 7 -0.947 -9.255 -4.688 60 H ASP 8 HN ASP 8 1.549 -11.629 -2.582 61 HA ASP 8 HA ASP 8 -0.873 -11.272 -1.127 62 HB2 ASP 8 HB2 ASP 8 1.360 -13.214 -0.503 63 HB3 ASP 8 HB1 ASP 8 -0.255 -13.265 0.183 64 H ASP 9 HN ASP 9 2.498 -10.890 -0.214 65 HA ASP 9 HA ASP 9 1.899 -10.256 2.488 66 HB2 ASP 9 HB2 ASP 9 4.371 -9.739 0.848 67 HB3 ASP 9 HB1 ASP 9 4.231 -9.235 2.527 68 H LEU 10 HN LEU 10 2.252 -8.345 -0.398 69 HA LEU 10 HA LEU 10 2.046 -5.794 0.787 70 HB2 LEU 10 HB2 LEU 10 2.705 -6.196 -1.571 71 HB3 LEU 10 HB1 LEU 10 1.080 -6.743 -1.921 72 HG LEU 10 HG LEU 10 0.260 -4.451 -1.342 73 HD11 LEU 10 HD11 LEU 10 2.102 -3.732 0.056 74 HD12 LEU 10 HD12 LEU 10 1.874 -2.624 -1.301 75 HD13 LEU 10 HD13 LEU 10 3.193 -3.793 -1.328 76 HD21 LEU 10 HD21 LEU 10 1.001 -3.438 -3.436 77 HD22 LEU 10 HD22 LEU 10 0.590 -5.141 -3.649 78 HD23 LEU 10 HD23 LEU 10 2.279 -4.644 -3.567 79 H ARG 11 HN ARG 11 -0.329 -8.041 -0.550 80 HA ARG 11 HA ARG 11 -2.676 -6.726 -0.050 81 HB2 ARG 11 HB2 ARG 11 -2.833 -8.744 -1.251 82 HB3 ARG 11 HB1 ARG 11 -2.024 -9.661 0.012 83 HG2 ARG 11 HG2 ARG 11 -3.930 -9.577 1.413 84 HG3 ARG 11 HG1 ARG 11 -4.712 -8.379 0.386 85 HD2 ARG 11 HD2 ARG 11 -5.616 -10.669 0.159 86 HD3 ARG 11 HD1 ARG 11 -5.036 -9.970 -1.342 87 HE ARG 11 HE ARG 11 -3.059 -11.380 -1.103 88 HH11 ARG 11 HH11 ARG 11 -5.792 -12.260 0.942 89 HH12 ARG 11 HH12 ARG 11 -5.624 -13.947 0.722 90 HH21 ARG 11 HH21 ARG 11 -2.729 -13.738 -1.319 91 HH22 ARG 11 HH22 ARG 11 -3.858 -14.786 -0.611 92 H ARG 12 HN ARG 12 -0.844 -8.729 2.182 93 HA ARG 12 HA ARG 12 -2.596 -8.599 4.336 94 HB2 ARG 12 HB2 ARG 12 0.408 -8.773 4.362 95 HB3 ARG 12 HB1 ARG 12 -0.584 -8.924 5.801 96 HG2 ARG 12 HG2 ARG 12 -1.728 -10.855 4.635 97 HG3 ARG 12 HG1 ARG 12 -0.426 -10.763 3.440 98 HD2 ARG 12 HD2 ARG 12 -0.036 -11.101 6.409 99 HD3 ARG 12 HD1 ARG 12 0.000 -12.414 5.239 100 HE ARG 12 HE ARG 12 1.993 -11.408 4.300 101 HH11 ARG 12 HH11 ARG 12 1.069 -9.980 7.439 102 HH12 ARG 12 HH12 ARG 12 2.670 -9.749 7.946 103 HH21 ARG 12 HH21 ARG 12 4.124 -11.100 4.997 104 HH22 ARG 12 HH22 ARG 12 4.497 -10.469 6.562 105 H ALA 13 HN ALA 13 0.034 -6.398 3.510 106 HA ALA 13 HA ALA 13 -0.273 -4.715 5.751 107 HB1 ALA 13 HB1 ALA 13 1.076 -3.115 4.503 108 HB2 ALA 13 HB2 ALA 13 0.824 -4.042 3.023 109 HB3 ALA 13 HB3 ALA 13 1.742 -4.742 4.358 110 H LEU 14 HN LEU 14 -1.635 -4.499 2.427 111 HA LEU 14 HA LEU 14 -3.023 -2.145 2.836 112 HB2 LEU 14 HB2 LEU 14 -3.194 -4.423 0.932 113 HB3 LEU 14 HB1 LEU 14 -4.446 -3.206 0.932 114 HG LEU 14 HG LEU 14 -2.667 -2.996 -0.752 115 HD11 LEU 14 HD11 LEU 14 -2.455 -0.508 -0.501 116 HD12 LEU 14 HD12 LEU 14 -2.979 -0.671 1.173 117 HD13 LEU 14 HD13 LEU 14 -4.087 -1.076 -0.139 118 HD21 LEU 14 HD21 LEU 14 -0.534 -1.890 -0.136 119 HD22 LEU 14 HD22 LEU 14 -0.687 -3.525 0.504 120 HD23 LEU 14 HD23 LEU 14 -0.941 -2.136 1.563 121 H VAL 15 HN VAL 15 -4.090 -5.542 3.240 122 HA VAL 15 HA VAL 15 -6.714 -4.725 3.920 123 HB VAL 15 HB VAL 15 -6.199 -7.007 2.992 124 HG11 VAL 15 HG11 VAL 15 -5.183 -7.657 5.725 125 HG12 VAL 15 HG12 VAL 15 -4.265 -7.578 4.215 126 HG13 VAL 15 HG13 VAL 15 -5.506 -8.808 4.423 127 HG21 VAL 15 HG21 VAL 15 -7.754 -7.017 5.574 128 HG22 VAL 15 HG22 VAL 15 -7.836 -8.260 4.327 129 HG23 VAL 15 HG23 VAL 15 -8.382 -6.618 3.972 130 H GLU 16 HN GLU 16 -3.859 -4.767 5.724 131 HA GLU 16 HA GLU 16 -5.144 -4.709 8.301 132 HB2 GLU 16 HB2 GLU 16 -2.328 -4.066 7.433 133 HB3 GLU 16 HB1 GLU 16 -2.882 -3.870 9.086 134 HG2 GLU 16 HG2 GLU 16 -3.360 -6.269 9.194 135 HG3 GLU 16 HG1 GLU 16 -2.787 -6.448 7.535 136 H SER 17 HN SER 17 -4.230 -2.400 5.856 137 HA SER 17 HA SER 17 -4.482 -0.152 7.634 138 HB2 SER 17 HB2 SER 17 -2.942 -0.278 5.558 139 HB3 SER 17 HB1 SER 17 -4.401 -0.061 4.601 140 HG SER 17 HG SER 17 -4.638 1.961 6.073 141 H ALA 18 HN ALA 18 -6.268 -1.125 4.653 142 HA ALA 18 HA ALA 18 -8.594 0.270 5.592 143 HB1 ALA 18 HB1 ALA 18 -9.695 -0.525 3.569 144 HB2 ALA 18 HB2 ALA 18 -8.334 -1.594 3.236 145 HB3 ALA 18 HB3 ALA 18 -8.112 0.157 3.175 146 H GLY 19 HN GLY 19 -8.824 -0.790 7.547 147 HA2 GLY 19 HA2 GLY 19 -9.997 -3.465 7.283 148 HA3 GLY 19 HA1 GLY 19 -9.096 -2.949 8.708 149 H GLU 20 HN GLU 20 -10.521 -2.947 10.275 150 HA GLU 20 HA GLU 20 -12.191 -2.338 11.613 151 HB2 GLU 20 HB2 GLU 20 -12.525 -0.015 9.698 152 HB3 GLU 20 HB1 GLU 20 -13.203 -0.110 11.320 153 HG2 GLU 20 HG2 GLU 20 -10.265 -0.100 10.642 154 HG3 GLU 20 HG1 GLU 20 -11.185 1.273 11.251 155 H THR 21 HN THR 21 -12.631 -3.971 9.194 156 HA THR 21 HA THR 21 -14.211 -5.097 8.104 157 HB THR 21 HB THR 21 -16.165 -4.137 10.246 158 HG1 THR 21 HG1 THR 21 -15.059 -6.537 10.808 159 HG21 THR 21 HG21 THR 21 -17.144 -5.476 8.387 160 HG22 THR 21 HG22 THR 21 -17.194 -6.355 9.913 161 HG23 THR 21 HG23 THR 21 -15.969 -6.751 8.708 162 H ASP 22 HN ASP 22 -13.664 -2.436 7.277 163 HA ASP 22 HA ASP 22 -16.169 -1.237 6.476 164 HB2 ASP 22 HB2 ASP 22 -14.219 0.198 6.882 165 HB3 ASP 22 HB1 ASP 22 -13.347 -0.608 5.583 166 H GLY 23 HN GLY 23 -13.590 -3.058 4.957 167 HA2 GLY 23 HA2 GLY 23 -15.464 -3.750 2.822 168 HA3 GLY 23 HA1 GLY 23 -13.856 -3.156 2.410 169 H THR 24 HN THR 24 -15.693 -5.833 3.296 170 HA THR 24 HA THR 24 -13.424 -7.385 4.180 171 HB THR 24 HB THR 24 -15.112 -9.271 4.325 172 HG1 THR 24 HG1 THR 24 -16.957 -7.163 3.779 173 HG21 THR 24 HG21 THR 24 -14.589 -7.871 6.274 174 HG22 THR 24 HG22 THR 24 -16.292 -8.326 6.269 175 HG23 THR 24 HG23 THR 24 -15.811 -6.702 5.768 176 H ASP 25 HN ASP 25 -13.580 -6.299 1.476 177 HA ASP 25 HA ASP 25 -12.786 -8.664 0.092 178 HB2 ASP 25 HB2 ASP 25 -14.053 -7.911 -2.007 179 HB3 ASP 25 HB1 ASP 25 -14.999 -8.656 -0.730 180 H LEU 26 HN LEU 26 -10.845 -8.272 -0.188 181 HA LEU 26 HA LEU 26 -9.822 -6.294 -1.961 182 HB2 LEU 26 HB2 LEU 26 -10.088 -5.040 0.287 183 HB3 LEU 26 HB1 LEU 26 -8.953 -6.187 0.963 184 HG LEU 26 HG LEU 26 -7.246 -5.347 -0.657 185 HD11 LEU 26 HD11 LEU 26 -7.665 -3.213 -1.777 186 HD12 LEU 26 HD12 LEU 26 -9.339 -3.259 -1.227 187 HD13 LEU 26 HD13 LEU 26 -8.748 -4.481 -2.353 188 HD21 LEU 26 HD21 LEU 26 -8.470 -3.296 1.192 189 HD22 LEU 26 HD22 LEU 26 -6.832 -3.247 0.542 190 HD23 LEU 26 HD23 LEU 26 -7.303 -4.538 1.645 191 H SER 27 HN SER 27 -10.082 -9.092 -1.728 192 HA SER 27 HA SER 27 -7.568 -10.073 -0.612 193 HB2 SER 27 HB2 SER 27 -10.061 -11.630 -1.270 194 HB3 SER 27 HB1 SER 27 -8.661 -12.181 -0.349 195 HG SER 27 HG SER 27 -10.802 -11.144 0.584 196 H GLY 28 HN GLY 28 -6.161 -10.001 -2.227 197 HA2 GLY 28 HA2 GLY 28 -5.061 -11.249 -3.904 198 HA3 GLY 28 HA1 GLY 28 -6.624 -11.857 -4.441 199 H ASP 29 HN ASP 29 -8.087 -9.816 -4.967 200 HA ASP 29 HA ASP 29 -6.630 -8.447 -7.062 201 HB2 ASP 29 HB2 ASP 29 -8.862 -7.886 -7.993 202 HB3 ASP 29 HB1 ASP 29 -8.620 -9.616 -7.824 203 H PHE 30 HN PHE 30 -5.927 -6.595 -6.746 204 HA PHE 30 HA PHE 30 -7.221 -4.392 -5.560 205 HB2 PHE 30 HB2 PHE 30 -6.122 -4.144 -3.407 206 HB3 PHE 30 HB1 PHE 30 -6.822 -5.755 -3.427 207 HD1 PHE 30 HD1 PHE 30 -5.240 -7.714 -3.999 208 HD2 PHE 30 HD2 PHE 30 -3.871 -3.825 -2.948 209 HE1 PHE 30 HE1 PHE 30 -3.018 -8.628 -3.499 210 HE2 PHE 30 HE2 PHE 30 -1.647 -4.735 -2.448 211 HZ PHE 30 HZ PHE 30 -1.216 -7.138 -2.732 212 H LEU 31 HN LEU 31 -4.343 -6.093 -6.372 213 HA LEU 31 HA LEU 31 -2.324 -4.247 -6.190 214 HB2 LEU 31 HB2 LEU 31 -2.187 -6.723 -6.544 215 HB3 LEU 31 HB1 LEU 31 -2.601 -6.473 -8.218 216 HG LEU 31 HG LEU 31 -0.204 -6.975 -7.769 217 HD11 LEU 31 HD11 LEU 31 -0.694 -4.308 -9.043 218 HD12 LEU 31 HD12 LEU 31 -0.787 -5.896 -9.816 219 HD13 LEU 31 HD13 LEU 31 0.759 -5.297 -9.209 220 HD21 LEU 31 HD21 LEU 31 0.067 -5.801 -5.676 221 HD22 LEU 31 HD22 LEU 31 -0.191 -4.255 -6.486 222 HD23 LEU 31 HD23 LEU 31 1.235 -5.221 -6.862 223 H ASP 32 HN ASP 32 -4.507 -4.801 -8.907 224 HA ASP 32 HA ASP 32 -3.309 -2.545 -10.358 225 HB2 ASP 32 HB2 ASP 32 -4.502 -3.412 -12.320 226 HB3 ASP 32 HB1 ASP 32 -3.474 -4.645 -11.601 227 H LEU 33 HN LEU 33 -5.516 -2.767 -8.108 228 HA LEU 33 HA LEU 33 -7.661 -1.334 -9.433 229 HB2 LEU 33 HB2 LEU 33 -7.361 -2.483 -6.666 230 HB3 LEU 33 HB1 LEU 33 -8.633 -1.342 -7.030 231 HG LEU 33 HG LEU 33 -9.592 -2.921 -8.661 232 HD11 LEU 33 HD11 LEU 33 -7.432 -4.827 -7.783 233 HD12 LEU 33 HD12 LEU 33 -7.580 -4.085 -9.376 234 HD13 LEU 33 HD13 LEU 33 -8.808 -5.218 -8.814 235 HD21 LEU 33 HD21 LEU 33 -10.363 -2.978 -6.368 236 HD22 LEU 33 HD22 LEU 33 -9.093 -4.131 -5.953 237 HD23 LEU 33 HD23 LEU 33 -10.377 -4.598 -7.070 238 H ARG 34 HN ARG 34 -8.271 0.730 -8.916 239 HA ARG 34 HA ARG 34 -6.051 2.486 -8.308 240 HB2 ARG 34 HB2 ARG 34 -8.946 3.322 -8.542 241 HB3 ARG 34 HB1 ARG 34 -7.514 4.281 -8.874 242 HG2 ARG 34 HG2 ARG 34 -8.536 1.974 -10.511 243 HG3 ARG 34 HG1 ARG 34 -8.669 3.682 -10.914 244 HD2 ARG 34 HD2 ARG 34 -6.299 3.861 -11.195 245 HD3 ARG 34 HD1 ARG 34 -6.051 2.235 -10.547 246 HE ARG 34 HE ARG 34 -7.799 2.114 -12.738 247 HH11 ARG 34 HH11 ARG 34 -4.411 2.905 -12.234 248 HH12 ARG 34 HH12 ARG 34 -3.849 2.096 -13.621 249 HH21 ARG 34 HH21 ARG 34 -7.125 1.060 -14.609 250 HH22 ARG 34 HH22 ARG 34 -5.465 0.962 -15.048 251 H PHE 35 HN PHE 35 -5.654 3.477 -6.376 252 HA PHE 35 HA PHE 35 -6.757 2.570 -4.011 253 HB2 PHE 35 HB2 PHE 35 -5.219 5.067 -4.607 254 HB3 PHE 35 HB1 PHE 35 -5.855 4.767 -2.990 255 HD1 PHE 35 HD1 PHE 35 -5.163 2.729 -1.769 256 HD2 PHE 35 HD2 PHE 35 -3.289 3.952 -5.373 257 HE1 PHE 35 HE1 PHE 35 -3.244 1.295 -1.241 258 HE2 PHE 35 HE2 PHE 35 -1.369 2.516 -4.851 259 HZ PHE 35 HZ PHE 35 -1.341 1.188 -2.787 260 H GLU 36 HN GLU 36 -7.751 5.383 -5.830 261 HA GLU 36 HA GLU 36 -9.589 6.493 -4.052 262 HB2 GLU 36 HB2 GLU 36 -9.888 6.372 -7.044 263 HB3 GLU 36 HB1 GLU 36 -10.592 7.557 -5.959 264 HG2 GLU 36 HG2 GLU 36 -7.678 7.202 -6.581 265 HG3 GLU 36 HG1 GLU 36 -8.728 8.498 -7.143 266 H ASP 37 HN ASP 37 -9.835 3.660 -6.025 267 HA ASP 37 HA ASP 37 -12.736 3.543 -5.972 268 HB2 ASP 37 HB2 ASP 37 -11.441 2.845 -7.969 269 HB3 ASP 37 HB1 ASP 37 -10.708 1.560 -7.023 270 H ILE 38 HN ILE 38 -10.013 2.169 -4.307 271 HA ILE 38 HA ILE 38 -11.762 0.223 -3.033 272 HB ILE 38 HB ILE 38 -9.675 -0.810 -2.110 273 HG12 ILE 38 HG12 ILE 38 -8.315 1.135 -4.004 274 HG13 ILE 38 HG11 ILE 38 -8.200 1.171 -2.251 275 HG21 ILE 38 HG21 ILE 38 -10.786 -1.693 -4.057 276 HG22 ILE 38 HG22 ILE 38 -9.035 -1.832 -4.254 277 HG23 ILE 38 HG23 ILE 38 -9.923 -0.560 -5.097 278 HD11 ILE 38 HD11 ILE 38 -7.172 -1.019 -4.052 279 HD12 ILE 38 HD12 ILE 38 -7.053 -0.995 -2.292 280 HD13 ILE 38 HD13 ILE 38 -6.201 0.216 -3.251 281 H GLY 39 HN GLY 39 -11.804 3.030 -2.378 282 HA2 GLY 39 HA2 GLY 39 -12.439 4.151 -0.453 283 HA3 GLY 39 HA1 GLY 39 -12.127 2.677 0.446 284 H TYR 40 HN TYR 40 -9.514 3.831 -1.448 285 HA TYR 40 HA TYR 40 -8.222 4.562 1.020 286 HB2 TYR 40 HB2 TYR 40 -7.207 3.596 -1.572 287 HB3 TYR 40 HB1 TYR 40 -6.172 4.665 -0.629 288 HD1 TYR 40 HD1 TYR 40 -7.856 1.403 -0.689 289 HD2 TYR 40 HD2 TYR 40 -5.233 3.992 1.406 290 HE1 TYR 40 HE1 TYR 40 -7.167 -0.466 0.748 291 HE2 TYR 40 HE2 TYR 40 -4.529 2.169 2.833 292 HH TYR 40 HH TYR 40 -5.274 -1.078 2.164 293 H ASP 41 HN ASP 41 -8.675 6.467 1.546 294 HA ASP 41 HA ASP 41 -8.335 8.634 -0.340 295 HB2 ASP 41 HB2 ASP 41 -9.049 10.088 1.457 296 HB3 ASP 41 HB1 ASP 41 -10.146 8.713 1.410 297 H SER 42 HN SER 42 -6.949 10.452 0.553 298 HA SER 42 HA SER 42 -4.294 9.901 0.458 299 HB2 SER 42 HB2 SER 42 -4.080 12.149 1.432 300 HB3 SER 42 HB1 SER 42 -5.261 12.054 0.109 301 H LEU 43 HN LEU 43 -6.291 10.247 3.403 302 HA LEU 43 HA LEU 43 -4.044 10.158 5.158 303 HB2 LEU 43 HB2 LEU 43 -6.196 11.380 5.640 304 HB3 LEU 43 HB1 LEU 43 -6.986 9.836 5.820 305 HG LEU 43 HG LEU 43 -6.481 11.038 7.957 306 HD11 LEU 43 HD11 LEU 43 -6.850 8.652 8.036 307 HD12 LEU 43 HD12 LEU 43 -5.622 9.133 9.209 308 HD13 LEU 43 HD13 LEU 43 -5.145 8.358 7.700 309 HD21 LEU 43 HD21 LEU 43 -4.183 11.034 8.806 310 HD22 LEU 43 HD22 LEU 43 -4.362 12.027 7.360 311 HD23 LEU 43 HD23 LEU 43 -3.620 10.429 7.246 312 H ALA 44 HN ALA 44 -6.482 7.868 4.090 313 HA ALA 44 HA ALA 44 -5.607 5.706 5.727 314 HB1 ALA 44 HB1 ALA 44 -7.780 5.680 4.588 315 HB2 ALA 44 HB2 ALA 44 -6.821 4.258 4.171 316 HB3 ALA 44 HB3 ALA 44 -6.963 5.593 3.026 317 H LEU 45 HN LEU 45 -4.752 6.828 2.551 318 HA LEU 45 HA LEU 45 -2.996 4.786 1.765 319 HB2 LEU 45 HB2 LEU 45 -3.977 6.412 0.251 320 HB3 LEU 45 HB1 LEU 45 -3.107 7.703 1.040 321 HG LEU 45 HG LEU 45 -0.984 6.765 0.219 322 HD11 LEU 45 HD11 LEU 45 -1.014 5.001 -1.470 323 HD12 LEU 45 HD12 LEU 45 -2.754 4.812 -1.250 324 HD13 LEU 45 HD13 LEU 45 -1.650 4.415 0.067 325 HD21 LEU 45 HD21 LEU 45 -1.323 7.395 -2.107 326 HD22 LEU 45 HD22 LEU 45 -2.212 8.480 -1.016 327 HD23 LEU 45 HD23 LEU 45 -3.066 7.212 -1.893 328 H MET 46 HN MET 46 -2.429 7.884 3.411 329 HA MET 46 HA MET 46 0.355 7.516 3.572 330 HB2 MET 46 HB2 MET 46 0.483 9.415 5.027 331 HB3 MET 46 HB1 MET 46 -0.767 9.755 3.853 332 HG2 MET 46 HG2 MET 46 -1.670 10.565 5.848 333 HG3 MET 46 HG1 MET 46 -2.394 8.984 5.680 334 HE1 MET 46 HE1 MET 46 1.169 9.769 8.524 335 HE2 MET 46 HE2 MET 46 0.489 11.008 7.467 336 HE3 MET 46 HE3 MET 46 1.330 9.621 6.772 337 H GLU 47 HN GLU 47 -2.287 6.526 5.617 338 HA GLU 47 HA GLU 47 -0.787 5.676 7.822 339 HB2 GLU 47 HB2 GLU 47 -3.381 4.801 6.690 340 HB3 GLU 47 HB1 GLU 47 -2.739 4.059 8.167 341 HG2 GLU 47 HG2 GLU 47 -2.694 6.479 9.020 342 HG3 GLU 47 HG1 GLU 47 -3.737 6.827 7.635 343 H THR 48 HN THR 48 -1.744 4.015 4.863 344 HA THR 48 HA THR 48 -0.730 1.483 5.388 345 HB THR 48 HB THR 48 -0.621 2.955 2.738 346 HG1 THR 48 HG1 THR 48 -2.793 2.191 4.271 347 HG21 THR 48 HG21 THR 48 0.491 0.770 2.762 348 HG22 THR 48 HG22 THR 48 -0.980 0.707 1.791 349 HG23 THR 48 HG23 THR 48 -0.965 0.027 3.417 350 H ALA 49 HN ALA 49 0.774 4.171 3.625 351 HA ALA 49 HA ALA 49 3.309 3.083 3.287 352 HB1 ALA 49 HB1 ALA 49 2.463 4.996 2.056 353 HB2 ALA 49 HB2 ALA 49 4.040 5.322 2.775 354 HB3 ALA 49 HB3 ALA 49 2.577 5.981 3.512 355 H ALA 50 HN ALA 50 2.175 5.277 5.856 356 HA ALA 50 HA ALA 50 4.630 5.586 7.164 357 HB1 ALA 50 HB1 ALA 50 2.694 7.031 7.559 358 HB2 ALA 50 HB2 ALA 50 3.328 6.367 9.065 359 HB3 ALA 50 HB3 ALA 50 1.862 5.694 8.351 360 H ARG 51 HN ARG 51 2.132 3.151 7.462 361 HA ARG 51 HA ARG 51 3.224 1.922 9.786 362 HB2 ARG 51 HB2 ARG 51 0.838 1.768 8.946 363 HB3 ARG 51 HB1 ARG 51 1.432 0.674 7.712 364 HG2 ARG 51 HG2 ARG 51 2.143 -0.897 9.423 365 HG3 ARG 51 HG1 ARG 51 1.596 0.220 10.680 366 HD2 ARG 51 HD2 ARG 51 -0.090 -1.125 8.583 367 HD3 ARG 51 HD1 ARG 51 -0.112 -1.450 10.314 368 HE ARG 51 HE ARG 51 -0.653 1.279 9.834 369 HH11 ARG 51 HH11 ARG 51 -2.202 -1.877 9.934 370 HH12 ARG 51 HH12 ARG 51 -3.785 -1.286 9.748 371 HH21 ARG 51 HH21 ARG 51 -2.802 2.140 9.723 372 HH22 ARG 51 HH22 ARG 51 -4.151 1.131 9.677 373 H LEU 52 HN LEU 52 3.506 1.483 6.318 374 HA LEU 52 HA LEU 52 5.076 -0.862 6.305 375 HB2 LEU 52 HB2 LEU 52 5.069 1.438 4.349 376 HB3 LEU 52 HB1 LEU 52 5.808 -0.124 4.061 377 HG LEU 52 HG LEU 52 2.858 0.349 4.466 378 HD11 LEU 52 HD11 LEU 52 2.672 -0.121 2.080 379 HD12 LEU 52 HD12 LEU 52 4.432 -0.201 1.963 380 HD13 LEU 52 HD13 LEU 52 3.645 1.318 2.390 381 HD21 LEU 52 HD21 LEU 52 3.579 -1.865 5.182 382 HD22 LEU 52 HD22 LEU 52 4.380 -2.115 3.632 383 HD23 LEU 52 HD23 LEU 52 2.624 -1.956 3.702 384 H GLU 53 HN GLU 53 5.896 2.563 6.445 385 HA GLU 53 HA GLU 53 8.651 2.337 6.326 386 HB2 GLU 53 HB2 GLU 53 6.986 4.396 7.778 387 HB3 GLU 53 HB1 GLU 53 8.720 4.529 7.528 388 HG2 GLU 53 HG2 GLU 53 8.355 4.487 5.113 389 HG3 GLU 53 HG1 GLU 53 6.619 4.423 5.373 390 H SER 54 HN SER 54 6.611 2.552 9.267 391 HA SER 54 HA SER 54 8.774 2.157 11.004 392 HB2 SER 54 HB2 SER 54 6.933 1.699 12.715 393 HB3 SER 54 HB1 SER 54 6.898 3.266 11.912 394 HG SER 54 HG SER 54 4.988 2.800 11.363 395 H ARG 55 HN ARG 55 6.472 -0.117 9.611 396 HA ARG 55 HA ARG 55 7.313 -2.325 11.147 397 HB2 ARG 55 HB2 ARG 55 5.160 -2.327 10.066 398 HB3 ARG 55 HB1 ARG 55 5.916 -2.238 8.482 399 HG2 ARG 55 HG2 ARG 55 6.884 -4.443 8.804 400 HG3 ARG 55 HG1 ARG 55 6.170 -4.532 10.414 401 HD2 ARG 55 HD2 ARG 55 4.619 -4.231 7.849 402 HD3 ARG 55 HD1 ARG 55 4.883 -5.755 8.697 403 HE ARG 55 HE ARG 55 3.808 -3.882 10.472 404 HH11 ARG 55 HH11 ARG 55 2.785 -5.746 7.631 405 HH12 ARG 55 HH12 ARG 55 1.163 -5.912 8.180 406 HH21 ARG 55 HH21 ARG 55 1.576 -4.126 11.177 407 HH22 ARG 55 HH22 ARG 55 0.501 -5.013 10.193 408 H TYR 56 HN TYR 56 8.176 -1.412 7.796 409 HA TYR 56 HA TYR 56 9.934 -3.704 7.699 410 HB2 TYR 56 HB2 TYR 56 9.207 -1.665 5.600 411 HB3 TYR 56 HB1 TYR 56 10.316 -3.007 5.326 412 HD1 TYR 56 HD1 TYR 56 6.814 -2.096 5.998 413 HD2 TYR 56 HD2 TYR 56 9.507 -5.248 5.072 414 HE1 TYR 56 HE1 TYR 56 4.916 -3.565 5.507 415 HE2 TYR 56 HE2 TYR 56 7.612 -6.725 4.576 416 HH TYR 56 HH TYR 56 5.298 -6.919 5.126 417 H GLY 57 HN GLY 57 10.257 -0.379 8.393 418 HA2 GLY 57 HA2 GLY 57 12.165 0.711 9.116 419 HA3 GLY 57 HA1 GLY 57 13.121 -0.703 8.661 420 H VAL 58 HN VAL 58 10.979 1.560 7.008 421 HA VAL 58 HA VAL 58 13.062 2.104 5.051 422 HB VAL 58 HB VAL 58 11.482 1.986 3.164 423 HG11 VAL 58 HG11 VAL 58 12.798 0.002 3.613 424 HG12 VAL 58 HG12 VAL 58 11.197 -0.427 2.994 425 HG13 VAL 58 HG13 VAL 58 11.547 -0.584 4.715 426 HG21 VAL 58 HG21 VAL 58 9.399 2.445 4.338 427 HG22 VAL 58 HG22 VAL 58 9.496 0.885 5.156 428 HG23 VAL 58 HG23 VAL 58 9.261 0.952 3.408 429 H SER 59 HN SER 59 12.212 3.972 3.566 430 HA SER 59 HA SER 59 10.602 5.826 5.129 431 HB2 SER 59 HB2 SER 59 13.314 6.441 3.925 432 HB3 SER 59 HB1 SER 59 12.221 7.641 4.616 433 HG SER 59 HG SER 59 13.438 5.448 5.992 434 H ILE 60 HN ILE 60 8.988 6.355 3.927 435 HA ILE 60 HA ILE 60 9.201 6.240 1.007 436 HB ILE 60 HB ILE 60 6.732 6.179 2.770 437 HG12 ILE 60 HG12 ILE 60 8.032 3.991 1.126 438 HG13 ILE 60 HG11 ILE 60 8.103 4.127 2.878 439 HG21 ILE 60 HG21 ILE 60 5.506 5.659 0.699 440 HG22 ILE 60 HG22 ILE 60 6.988 5.879 -0.229 441 HG23 ILE 60 HG23 ILE 60 6.270 7.246 0.620 442 HD11 ILE 60 HD11 ILE 60 5.685 3.818 2.997 443 HD12 ILE 60 HD12 ILE 60 6.471 2.471 2.172 444 HD13 ILE 60 HD13 ILE 60 5.615 3.701 1.241 445 HA PRO 61 HA PRO 61 9.055 10.746 1.217 446 HB2 PRO 61 HB2 PRO 61 9.065 10.477 -1.721 447 HB3 PRO 61 HB1 PRO 61 10.222 11.300 -0.670 448 HG2 PRO 61 HG2 PRO 61 10.845 9.015 -1.921 449 HG3 PRO 61 HG1 PRO 61 11.452 9.390 -0.298 450 HD2 PRO 61 HD2 PRO 61 9.200 7.598 -1.113 451 HD3 PRO 61 HD1 PRO 61 10.454 7.341 0.118 452 H ASP 62 HN ASP 62 7.493 12.255 0.799 453 HA ASP 62 HA ASP 62 4.804 11.419 0.608 454 HB2 ASP 62 HB2 ASP 62 4.145 13.718 0.696 455 HB3 ASP 62 HB1 ASP 62 5.583 13.569 1.690 456 H ASP 63 HN ASP 63 7.037 12.325 -1.855 457 HA ASP 63 HA ASP 63 5.224 12.969 -3.942 458 HB2 ASP 63 HB2 ASP 63 7.455 13.705 -4.198 459 HB3 ASP 63 HB1 ASP 63 8.107 12.112 -3.863 460 H VAL 64 HN VAL 64 6.057 10.012 -2.517 461 HA VAL 64 HA VAL 64 5.680 8.418 -4.844 462 HB VAL 64 HB VAL 64 5.732 7.633 -1.908 463 HG11 VAL 64 HG11 VAL 64 4.507 5.963 -3.198 464 HG12 VAL 64 HG12 VAL 64 6.071 5.332 -2.674 465 HG13 VAL 64 HG13 VAL 64 5.841 5.857 -4.345 466 HG21 VAL 64 HG21 VAL 64 7.823 8.549 -2.703 467 HG22 VAL 64 HG22 VAL 64 7.818 7.430 -4.066 468 HG23 VAL 64 HG23 VAL 64 7.979 6.815 -2.419 469 H ALA 65 HN ALA 65 3.596 9.815 -2.466 470 HA ALA 65 HA ALA 65 1.410 8.063 -2.631 471 HB1 ALA 65 HB1 ALA 65 0.086 9.869 -1.707 472 HB2 ALA 65 HB2 ALA 65 1.375 11.019 -2.085 473 HB3 ALA 65 HB3 ALA 65 1.647 9.744 -0.894 474 H GLY 66 HN GLY 66 2.005 11.105 -4.391 475 HA2 GLY 66 HA2 GLY 66 -0.367 10.866 -5.931 476 HA3 GLY 66 HA1 GLY 66 0.931 12.012 -6.178 477 H ARG 67 HN ARG 67 2.518 9.221 -6.253 478 HA ARG 67 HA ARG 67 2.083 9.053 -9.136 479 HB2 ARG 67 HB2 ARG 67 4.341 8.276 -9.415 480 HB3 ARG 67 HB1 ARG 67 4.345 9.752 -8.476 481 HG2 ARG 67 HG2 ARG 67 4.539 8.256 -6.428 482 HG3 ARG 67 HG1 ARG 67 4.899 6.952 -7.562 483 HD2 ARG 67 HD2 ARG 67 6.416 9.519 -7.151 484 HD3 ARG 67 HD1 ARG 67 6.984 7.873 -6.878 485 HE ARG 67 HE ARG 67 6.619 7.635 -9.390 486 HH11 ARG 67 HH11 ARG 67 7.742 10.690 -7.815 487 HH12 ARG 67 HH12 ARG 67 8.462 11.223 -9.272 488 HH21 ARG 67 HH21 ARG 67 7.684 8.522 -11.309 489 HH22 ARG 67 HH22 ARG 67 8.438 10.053 -11.178 490 H VAL 68 HN VAL 68 1.781 7.265 -6.213 491 HA VAL 68 HA VAL 68 1.572 4.765 -7.553 492 HB VAL 68 HB VAL 68 1.255 5.686 -4.699 493 HG11 VAL 68 HG11 VAL 68 1.064 3.366 -4.100 494 HG12 VAL 68 HG12 VAL 68 1.084 2.930 -5.831 495 HG13 VAL 68 HG13 VAL 68 -0.232 3.922 -5.166 496 HG21 VAL 68 HG21 VAL 68 3.548 5.625 -5.493 497 HG22 VAL 68 HG22 VAL 68 3.326 3.959 -6.031 498 HG23 VAL 68 HG23 VAL 68 3.262 4.349 -4.312 499 H ASP 69 HN ASP 69 -0.147 4.814 -8.797 500 HA ASP 69 HA ASP 69 -2.710 5.828 -7.840 501 HB2 ASP 69 HB2 ASP 69 -2.277 6.499 -10.049 502 HB3 ASP 69 HB1 ASP 69 -1.631 4.931 -10.496 503 H THR 70 HN THR 70 -0.974 2.924 -8.344 504 HA THR 70 HA THR 70 -3.214 1.375 -7.309 505 HB THR 70 HB THR 70 -2.581 -0.531 -8.818 506 HG1 THR 70 HG1 THR 70 -0.719 1.347 -9.745 507 HG21 THR 70 HG21 THR 70 -3.428 1.963 -10.299 508 HG22 THR 70 HG22 THR 70 -4.494 0.858 -9.435 509 HG23 THR 70 HG23 THR 70 -3.639 0.311 -10.876 510 HA PRO 71 HA PRO 71 -0.287 -0.184 -4.357 511 HB2 PRO 71 HB2 PRO 71 -1.259 -2.880 -5.220 512 HB3 PRO 71 HB1 PRO 71 -1.056 -2.228 -3.585 513 HG2 PRO 71 HG2 PRO 71 -3.470 -2.354 -4.633 514 HG3 PRO 71 HG1 PRO 71 -2.968 -0.908 -3.735 515 HD2 PRO 71 HD2 PRO 71 -3.227 -1.316 -6.684 516 HD3 PRO 71 HD1 PRO 71 -3.606 0.117 -5.705 517 H ARG 72 HN ARG 72 -0.355 -1.571 -7.554 518 HA ARG 72 HA ARG 72 1.952 -3.049 -7.719 519 HB2 ARG 72 HB2 ARG 72 0.408 -2.888 -9.527 520 HB3 ARG 72 HB1 ARG 72 0.707 -1.167 -9.700 521 HG2 ARG 72 HG2 ARG 72 3.011 -1.678 -10.426 522 HG3 ARG 72 HG1 ARG 72 2.629 -3.402 -10.326 523 HD2 ARG 72 HD2 ARG 72 2.401 -2.441 -12.615 524 HD3 ARG 72 HD1 ARG 72 0.925 -3.184 -11.990 525 HE ARG 72 HE ARG 72 1.061 -0.398 -11.397 526 HH11 ARG 72 HH11 ARG 72 0.289 -2.608 -14.068 527 HH12 ARG 72 HH12 ARG 72 -0.874 -1.535 -14.729 528 HH21 ARG 72 HH21 ARG 72 -0.551 0.939 -12.260 529 HH22 ARG 72 HH22 ARG 72 -1.353 0.528 -13.702 530 H GLU 73 HN GLU 73 1.676 0.503 -8.156 531 HA GLU 73 HA GLU 73 4.426 0.937 -8.691 532 HB2 GLU 73 HB2 GLU 73 2.337 2.850 -7.619 533 HB3 GLU 73 HB1 GLU 73 3.970 3.335 -8.011 534 HG2 GLU 73 HG2 GLU 73 2.571 4.003 -9.797 535 HG3 GLU 73 HG1 GLU 73 3.517 2.636 -10.370 536 H LEU 74 HN LEU 74 2.539 0.907 -5.796 537 HA LEU 74 HA LEU 74 4.504 1.896 -4.011 538 HB2 LEU 74 HB2 LEU 74 2.037 1.907 -3.620 539 HB3 LEU 74 HB1 LEU 74 2.068 0.173 -3.470 540 HG LEU 74 HG LEU 74 1.834 1.485 -1.333 541 HD11 LEU 74 HD11 LEU 74 2.493 -0.832 -1.272 542 HD12 LEU 74 HD12 LEU 74 3.332 0.086 -0.022 543 HD13 LEU 74 HD13 LEU 74 4.180 -0.380 -1.500 544 HD21 LEU 74 HD21 LEU 74 3.392 3.281 -1.825 545 HD22 LEU 74 HD22 LEU 74 4.733 2.138 -1.845 546 HD23 LEU 74 HD23 LEU 74 3.862 2.446 -0.343 547 H LEU 75 HN LEU 75 3.498 -1.353 -4.967 548 HA LEU 75 HA LEU 75 5.112 -2.888 -3.298 549 HB2 LEU 75 HB2 LEU 75 3.340 -3.801 -4.740 550 HB3 LEU 75 HB1 LEU 75 4.301 -3.444 -6.157 551 HG LEU 75 HG LEU 75 5.998 -5.082 -5.379 552 HD11 LEU 75 HD11 LEU 75 3.965 -5.716 -3.249 553 HD12 LEU 75 HD12 LEU 75 5.556 -4.998 -2.995 554 HD13 LEU 75 HD13 LEU 75 5.420 -6.652 -3.596 555 HD21 LEU 75 HD21 LEU 75 4.291 -5.745 -6.983 556 HD22 LEU 75 HD22 LEU 75 3.196 -6.160 -5.665 557 HD23 LEU 75 HD23 LEU 75 4.680 -7.080 -5.902 558 H ASP 76 HN ASP 76 5.808 -1.587 -6.512 559 HA ASP 76 HA ASP 76 8.434 -2.531 -6.692 560 HB2 ASP 76 HB2 ASP 76 7.443 -1.719 -8.689 561 HB3 ASP 76 HB1 ASP 76 7.142 -0.135 -7.980 562 H LEU 77 HN LEU 77 7.245 0.484 -5.334 563 HA LEU 77 HA LEU 77 9.759 1.662 -4.823 564 HB2 LEU 77 HB2 LEU 77 7.495 2.812 -4.860 565 HB3 LEU 77 HB1 LEU 77 7.166 2.093 -3.306 566 HG LEU 77 HG LEU 77 7.768 4.502 -3.215 567 HD11 LEU 77 HD11 LEU 77 9.717 2.734 -1.766 568 HD12 LEU 77 HD12 LEU 77 8.104 3.187 -1.217 569 HD13 LEU 77 HD13 LEU 77 9.358 4.416 -1.373 570 HD21 LEU 77 HD21 LEU 77 10.100 5.186 -3.546 571 HD22 LEU 77 HD22 LEU 77 9.357 4.589 -5.031 572 HD23 LEU 77 HD23 LEU 77 10.478 3.567 -4.132 573 H ILE 78 HN ILE 78 7.618 -0.327 -2.847 574 HA ILE 78 HA ILE 78 9.226 -0.315 -0.531 575 HB ILE 78 HB ILE 78 7.009 -2.170 -1.428 576 HG12 ILE 78 HG12 ILE 78 6.346 0.110 -0.875 577 HG13 ILE 78 HG11 ILE 78 5.716 -1.030 0.309 578 HG21 ILE 78 HG21 ILE 78 8.471 -3.471 0.031 579 HG22 ILE 78 HG22 ILE 78 6.950 -3.099 0.843 580 HG23 ILE 78 HG23 ILE 78 8.409 -2.196 1.250 581 HD11 ILE 78 HD11 ILE 78 7.495 -0.381 1.871 582 HD12 ILE 78 HD12 ILE 78 6.531 1.007 1.379 583 HD13 ILE 78 HD13 ILE 78 8.127 0.751 0.675 584 H ASN 79 HN ASN 79 8.926 -2.715 -3.153 585 HA ASN 79 HA ASN 79 10.785 -4.490 -2.049 586 HB2 ASN 79 HB2 ASN 79 9.861 -4.139 -4.891 587 HB3 ASN 79 HB1 ASN 79 11.086 -5.330 -4.466 588 HD21 ASN 79 HD21 ASN 79 9.726 -7.047 -5.058 589 HD22 ASN 79 HD22 ASN 79 8.375 -7.495 -4.063 590 H GLY 80 HN GLY 80 11.302 -1.742 -4.176 591 HA2 GLY 80 HA2 GLY 80 14.052 -2.154 -4.607 592 HA3 GLY 80 HA1 GLY 80 13.239 -0.592 -4.632 593 H ALA 81 HN ALA 81 12.283 -0.599 -2.013 594 HA ALA 81 HA ALA 81 14.595 0.335 -0.639 595 HB1 ALA 81 HB1 ALA 81 12.418 1.428 -0.410 596 HB2 ALA 81 HB2 ALA 81 13.048 0.915 1.157 597 HB3 ALA 81 HB3 ALA 81 11.774 -0.015 0.370 598 H LEU 82 HN LEU 82 12.514 -2.503 -0.330 599 HA LEU 82 HA LEU 82 13.638 -3.501 2.053 600 HB2 LEU 82 HB2 LEU 82 12.264 -4.981 -0.177 601 HB3 LEU 82 HB1 LEU 82 12.736 -5.719 1.340 602 HG LEU 82 HG LEU 82 10.705 -3.527 0.963 603 HD11 LEU 82 HD11 LEU 82 10.443 -6.402 1.819 604 HD12 LEU 82 HD12 LEU 82 9.937 -5.726 0.271 605 HD13 LEU 82 HD13 LEU 82 9.135 -5.223 1.759 606 HD21 LEU 82 HD21 LEU 82 10.294 -3.759 3.369 607 HD22 LEU 82 HD22 LEU 82 11.937 -3.204 3.041 608 HD23 LEU 82 HD23 LEU 82 11.647 -4.885 3.490 609 H ALA 83 HN ALA 83 14.609 -3.852 -1.272 610 HA ALA 83 HA ALA 83 16.465 -5.929 -0.890 611 HB1 ALA 83 HB1 ALA 83 17.381 -5.279 -3.047 612 HB2 ALA 83 HB2 ALA 83 16.495 -3.755 -2.980 613 HB3 ALA 83 HB3 ALA 83 15.619 -5.282 -3.094 614 H GLU 84 HN GLU 84 16.583 -2.608 -0.047 615 HA GLU 84 HA GLU 84 19.450 -2.841 0.516 616 HB2 GLU 84 HB2 GLU 84 19.477 -0.333 0.353 617 HB3 GLU 84 HB1 GLU 84 19.163 -1.170 -1.162 618 HG2 GLU 84 HG2 GLU 84 16.750 -0.724 -0.852 619 HG3 GLU 84 HG1 GLU 84 17.137 0.189 0.601 620 H ALA 85 HN ALA 85 16.897 -3.453 2.103 621 HA ALA 85 HA ALA 85 17.637 -1.860 4.449 622 HB1 ALA 85 HB1 ALA 85 15.480 -1.077 3.581 623 HB2 ALA 85 HB2 ALA 85 15.311 -1.822 5.168 624 HB3 ALA 85 HB3 ALA 85 14.833 -2.710 3.720 625 H ALA 86 HN ALA 86 17.067 -2.853 6.472 626 HA ALA 86 HA ALA 86 17.266 -5.767 6.377 627 HB1 ALA 86 HB1 ALA 86 18.499 -5.602 8.494 628 HB2 ALA 86 HB2 ALA 86 18.379 -3.846 8.424 629 HB3 ALA 86 HB3 ALA 86 19.319 -4.714 7.210 630 H28 SXH 87 H28B SXH 87 -3.591 12.717 3.162 631 H28A SXH 87 H28A SXH 87 -4.082 13.883 4.396 632 H30 SXH 87 H30C SXH 87 -1.599 13.689 4.897 633 H30A SXH 87 H30A SXH 87 -0.417 14.271 3.724 634 H30B SXH 87 H30B SXH 87 -1.303 12.775 3.418 635 H31 SXH 87 H31A SXH 87 -2.018 13.617 1.252 636 H31A SXH 87 H31C SXH 87 -2.944 15.113 1.128 637 H31B SXH 87 H31B SXH 87 -1.218 15.172 1.486 638 H32 SXH 87 H32A SXH 87 -2.497 15.993 4.824 639 HO33 SXH 87 H33A SXH 87 -3.468 17.362 2.743 640 HN36 SXH 87 H36A SXH 87 -0.154 15.949 4.348 641 H37 SXH 87 H37A SXH 87 0.669 18.292 2.702 642 H37A SXH 87 H37B SXH 87 1.332 17.952 4.297 643 H38 SXH 87 H38A SXH 87 2.909 17.262 2.623 644 H38A SXH 87 H38B SXH 87 2.272 15.829 3.444 645 HN41 SXH 87 H41A SXH 87 2.079 14.272 2.118 646 H42 SXH 87 H42A SXH 87 0.616 14.466 -0.369 647 H42A SXH 87 H42B SXH 87 2.295 13.926 -0.493 648 H43 SXH 87 H43A SXH 87 0.726 12.037 -0.339 649 H43A SXH 87 H43B SXH 87 0.172 12.639 1.239 650 H2 SXH 87 H2A SXH 87 1.806 8.593 2.956 651 H2A SXH 87 H2B SXH 87 3.141 9.750 3.067 652 H3 SXH 87 H3A SXH 87 3.888 7.818 1.861 653 H3A SXH 87 H3B SXH 87 3.698 9.124 0.690 654 H4 SXH 87 H4B SXH 87 1.646 6.960 1.209 655 H4A SXH 87 H4A SXH 87 1.546 8.238 0.003 656 H5 SXH 87 H5A SXH 87 3.684 6.099 0.069 657 H5A SXH 87 H5B SXH 87 3.463 7.344 -1.173 658 H6 SXH 87 H6C SXH 87 1.256 6.409 -1.689 659 H6A SXH 87 H6A SXH 87 1.491 5.180 -0.449 660 H6B SXH 87 H6B SXH 87 2.521 5.196 -1.881 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 15.684 -10.108 -0.470 2 H2 MET 1 HT2 MET 1 16.427 -8.668 -0.879 3 H3 MET 1 HT3 MET 1 15.417 -8.740 0.482 4 HA MET 1 HA MET 1 17.963 -10.216 0.128 5 HB2 MET 1 HB2 MET 1 18.366 -7.841 0.524 6 HB3 MET 1 HB1 MET 1 17.272 -7.859 1.899 7 HG2 MET 1 HG2 MET 1 18.784 -9.330 3.107 8 HG3 MET 1 HG1 MET 1 19.860 -9.389 1.714 9 HE1 MET 1 HE1 MET 1 21.378 -7.420 0.916 10 HE2 MET 1 HE2 MET 1 21.283 -5.776 1.552 11 HE3 MET 1 HE3 MET 1 19.928 -6.453 0.647 12 H ALA 2 HN ALA 2 15.292 -9.334 2.288 13 HA ALA 2 HA ALA 2 15.572 -11.950 3.539 14 HB1 ALA 2 HB1 ALA 2 16.582 -10.323 5.060 15 HB2 ALA 2 HB2 ALA 2 15.066 -10.931 5.722 16 HB3 ALA 2 HB3 ALA 2 15.128 -9.328 4.988 17 H THR 3 HN THR 3 13.528 -9.053 3.778 18 HA THR 3 HA THR 3 11.191 -10.712 3.424 19 HB THR 3 HB THR 3 10.254 -8.455 4.333 20 HG1 THR 3 HG1 THR 3 11.732 -7.208 5.309 21 HG21 THR 3 HG21 THR 3 11.953 -10.286 6.050 22 HG22 THR 3 HG22 THR 3 10.284 -10.593 5.577 23 HG23 THR 3 HG23 THR 3 10.665 -9.230 6.628 24 H LEU 4 HN LEU 4 10.812 -10.718 1.214 25 HA LEU 4 HA LEU 4 10.724 -8.132 -0.144 26 HB2 LEU 4 HB2 LEU 4 10.387 -10.946 -1.210 27 HB3 LEU 4 HB1 LEU 4 10.183 -9.500 -2.178 28 HG LEU 4 HG LEU 4 12.753 -10.426 -0.895 29 HD11 LEU 4 HD11 LEU 4 12.075 -11.792 -2.783 30 HD12 LEU 4 HD12 LEU 4 13.472 -10.800 -3.199 31 HD13 LEU 4 HD13 LEU 4 11.865 -10.347 -3.769 32 HD21 LEU 4 HD21 LEU 4 13.792 -8.591 -2.142 33 HD22 LEU 4 HD22 LEU 4 12.612 -7.980 -0.983 34 HD23 LEU 4 HD23 LEU 4 12.203 -8.065 -2.698 35 H LEU 5 HN LEU 5 8.811 -7.187 -0.535 36 HA LEU 5 HA LEU 5 6.532 -8.320 0.835 37 HB2 LEU 5 HB2 LEU 5 7.354 -5.881 0.914 38 HB3 LEU 5 HB1 LEU 5 6.764 -5.723 -0.719 39 HG LEU 5 HG LEU 5 4.986 -6.342 1.660 40 HD11 LEU 5 HD11 LEU 5 5.548 -3.714 0.301 41 HD12 LEU 5 HD12 LEU 5 6.045 -4.175 1.930 42 HD13 LEU 5 HD13 LEU 5 4.335 -3.991 1.551 43 HD21 LEU 5 HD21 LEU 5 4.342 -5.343 -1.107 44 HD22 LEU 5 HD22 LEU 5 3.190 -5.609 0.200 45 HD23 LEU 5 HD23 LEU 5 4.048 -6.974 -0.511 46 H THR 6 HN THR 6 5.097 -9.573 -0.240 47 HA THR 6 HA THR 6 5.040 -9.364 -3.155 48 HB THR 6 HB THR 6 3.918 -11.627 -3.077 49 HG1 THR 6 HG1 THR 6 4.543 -11.373 -0.285 50 HG21 THR 6 HG21 THR 6 6.306 -11.421 -3.548 51 HG22 THR 6 HG22 THR 6 5.989 -12.871 -2.599 52 HG23 THR 6 HG23 THR 6 6.661 -11.439 -1.820 53 H THR 7 HN THR 7 2.681 -10.138 -4.006 54 HA THR 7 HA THR 7 0.852 -8.146 -3.406 55 HB THR 7 HB THR 7 0.156 -10.915 -4.441 56 HG1 THR 7 HG1 THR 7 0.639 -9.858 -6.553 57 HG21 THR 7 HG21 THR 7 -1.588 -9.690 -5.705 58 HG22 THR 7 HG22 THR 7 -1.048 -8.176 -4.982 59 HG23 THR 7 HG23 THR 7 -1.774 -9.418 -3.972 60 H ASP 8 HN ASP 8 1.291 -11.345 -2.044 61 HA ASP 8 HA ASP 8 -0.975 -11.486 -0.411 62 HB2 ASP 8 HB2 ASP 8 0.477 -13.412 -0.776 63 HB3 ASP 8 HB1 ASP 8 1.779 -12.615 0.106 64 H ASP 9 HN ASP 9 2.274 -10.280 0.291 65 HA ASP 9 HA ASP 9 1.761 -9.516 2.985 66 HB2 ASP 9 HB2 ASP 9 3.847 -8.393 1.101 67 HB3 ASP 9 HB1 ASP 9 3.827 -8.202 2.848 68 H LEU 10 HN LEU 10 1.477 -7.951 -0.062 69 HA LEU 10 HA LEU 10 0.978 -5.332 0.817 70 HB2 LEU 10 HB2 LEU 10 1.523 -6.063 -1.517 71 HB3 LEU 10 HB1 LEU 10 -0.076 -6.756 -1.631 72 HG LEU 10 HG LEU 10 -1.046 -4.494 -1.403 73 HD11 LEU 10 HD11 LEU 10 1.834 -3.591 -1.536 74 HD12 LEU 10 HD12 LEU 10 0.764 -3.439 -0.142 75 HD13 LEU 10 HD13 LEU 10 0.418 -2.543 -1.621 76 HD21 LEU 10 HD21 LEU 10 -0.388 -3.732 -3.630 77 HD22 LEU 10 HD22 LEU 10 -0.651 -5.477 -3.589 78 HD23 LEU 10 HD23 LEU 10 0.991 -4.830 -3.598 79 H ARG 11 HN ARG 11 -1.185 -8.011 -0.109 80 HA ARG 11 HA ARG 11 -3.615 -6.952 0.620 81 HB2 ARG 11 HB2 ARG 11 -3.561 -9.095 -0.458 82 HB3 ARG 11 HB1 ARG 11 -2.662 -9.809 0.878 83 HG2 ARG 11 HG2 ARG 11 -4.611 -9.366 2.356 84 HG3 ARG 11 HG1 ARG 11 -5.504 -8.815 0.943 85 HD2 ARG 11 HD2 ARG 11 -6.029 -11.123 1.540 86 HD3 ARG 11 HD1 ARG 11 -5.309 -10.995 -0.062 87 HE ARG 11 HE ARG 11 -3.234 -11.737 0.920 88 HH11 ARG 11 HH11 ARG 11 -6.145 -12.304 2.906 89 HH12 ARG 11 HH12 ARG 11 -5.573 -13.747 3.578 90 HH21 ARG 11 HH21 ARG 11 -2.438 -13.748 1.887 91 HH22 ARG 11 HH22 ARG 11 -3.450 -14.605 2.938 92 H ARG 12 HN ARG 12 -1.278 -8.623 2.657 93 HA ARG 12 HA ARG 12 -2.731 -8.830 5.026 94 HB2 ARG 12 HB2 ARG 12 0.226 -8.249 4.835 95 HB3 ARG 12 HB1 ARG 12 -0.606 -8.955 6.203 96 HG2 ARG 12 HG2 ARG 12 -0.226 -10.210 3.497 97 HG3 ARG 12 HG1 ARG 12 0.654 -10.611 4.967 98 HD2 ARG 12 HD2 ARG 12 -1.516 -11.277 5.987 99 HD3 ARG 12 HD1 ARG 12 -2.276 -11.012 4.417 100 HE ARG 12 HE ARG 12 -0.227 -12.689 3.853 101 HH11 ARG 12 HH11 ARG 12 -3.165 -12.870 5.830 102 HH12 ARG 12 HH12 ARG 12 -3.069 -14.562 6.028 103 HH21 ARG 12 HH21 ARG 12 -0.134 -15.031 4.144 104 HH22 ARG 12 HH22 ARG 12 -1.295 -15.794 5.115 105 H ALA 13 HN ALA 13 -0.510 -6.250 4.042 106 HA ALA 13 HA ALA 13 -0.875 -4.659 6.335 107 HB1 ALA 13 HB1 ALA 13 0.212 -2.891 5.059 108 HB2 ALA 13 HB2 ALA 13 -0.019 -3.812 3.572 109 HB3 ALA 13 HB3 ALA 13 1.044 -4.430 4.837 110 H LEU 14 HN LEU 14 -2.361 -4.473 3.077 111 HA LEU 14 HA LEU 14 -3.929 -2.256 3.602 112 HB2 LEU 14 HB2 LEU 14 -3.966 -4.466 1.593 113 HB3 LEU 14 HB1 LEU 14 -5.256 -3.293 1.628 114 HG LEU 14 HG LEU 14 -3.432 -2.975 -0.051 115 HD11 LEU 14 HD11 LEU 14 -4.969 -1.169 0.503 116 HD12 LEU 14 HD12 LEU 14 -3.357 -0.506 0.227 117 HD13 LEU 14 HD13 LEU 14 -3.959 -0.706 1.872 118 HD21 LEU 14 HD21 LEU 14 -1.458 -3.397 1.281 119 HD22 LEU 14 HD22 LEU 14 -1.835 -2.024 2.321 120 HD23 LEU 14 HD23 LEU 14 -1.395 -1.755 0.635 121 H VAL 15 HN VAL 15 -4.693 -5.743 3.906 122 HA VAL 15 HA VAL 15 -7.440 -5.259 4.458 123 HB VAL 15 HB VAL 15 -6.519 -7.471 3.585 124 HG11 VAL 15 HG11 VAL 15 -5.814 -9.168 5.183 125 HG12 VAL 15 HG12 VAL 15 -5.794 -7.943 6.454 126 HG13 VAL 15 HG13 VAL 15 -4.689 -7.813 5.085 127 HG21 VAL 15 HG21 VAL 15 -8.835 -7.307 4.290 128 HG22 VAL 15 HG22 VAL 15 -8.365 -7.616 5.963 129 HG23 VAL 15 HG23 VAL 15 -8.161 -8.875 4.744 130 H GLU 16 HN GLU 16 -4.659 -5.193 6.458 131 HA GLU 16 HA GLU 16 -6.249 -5.266 8.854 132 HB2 GLU 16 HB2 GLU 16 -3.289 -4.908 8.417 133 HB3 GLU 16 HB1 GLU 16 -4.039 -4.801 10.005 134 HG2 GLU 16 HG2 GLU 16 -4.862 -7.078 9.793 135 HG3 GLU 16 HG1 GLU 16 -4.174 -7.187 8.176 136 H SER 17 HN SER 17 -4.767 -2.856 6.813 137 HA SER 17 HA SER 17 -5.235 -0.737 8.692 138 HB2 SER 17 HB2 SER 17 -4.525 -0.579 5.748 139 HB3 SER 17 HB1 SER 17 -4.406 0.730 6.919 140 HG SER 17 HG SER 17 -2.879 -1.632 6.717 141 H ALA 18 HN ALA 18 -6.795 -1.945 5.741 142 HA ALA 18 HA ALA 18 -8.863 0.052 5.677 143 HB1 ALA 18 HB1 ALA 18 -9.737 -1.264 3.845 144 HB2 ALA 18 HB2 ALA 18 -8.634 -2.579 4.248 145 HB3 ALA 18 HB3 ALA 18 -7.993 -1.040 3.661 146 H GLY 19 HN GLY 19 -8.693 -1.441 8.151 147 HA2 GLY 19 HA2 GLY 19 -10.612 -3.504 8.253 148 HA3 GLY 19 HA1 GLY 19 -9.975 -2.636 9.644 149 H GLU 20 HN GLU 20 -10.982 -0.096 8.181 150 HA GLU 20 HA GLU 20 -13.812 -0.385 8.920 151 HB2 GLU 20 HB2 GLU 20 -12.037 2.053 9.149 152 HB3 GLU 20 HB1 GLU 20 -13.716 1.933 9.663 153 HG2 GLU 20 HG2 GLU 20 -13.088 0.272 11.331 154 HG3 GLU 20 HG1 GLU 20 -11.407 0.392 10.815 155 H THR 21 HN THR 21 -12.252 -0.661 6.346 156 HA THR 21 HA THR 21 -13.463 1.533 4.827 157 HB THR 21 HB THR 21 -11.036 -0.151 4.135 158 HG1 THR 21 HG1 THR 21 -10.766 1.411 5.885 159 HG21 THR 21 HG21 THR 21 -12.195 2.305 2.786 160 HG22 THR 21 HG22 THR 21 -12.261 0.665 2.149 161 HG23 THR 21 HG23 THR 21 -10.708 1.481 2.320 162 H ASP 22 HN ASP 22 -15.329 0.746 4.271 163 HA ASP 22 HA ASP 22 -16.964 -0.274 3.145 164 HB2 ASP 22 HB2 ASP 22 -15.569 -0.147 1.146 165 HB3 ASP 22 HB1 ASP 22 -14.790 -1.669 1.572 166 H GLY 23 HN GLY 23 -14.688 -2.965 3.245 167 HA2 GLY 23 HA2 GLY 23 -16.096 -4.409 5.196 168 HA3 GLY 23 HA1 GLY 23 -16.645 -4.907 3.596 169 H THR 24 HN THR 24 -15.674 -6.721 3.023 170 HA THR 24 HA THR 24 -12.805 -6.884 3.437 171 HB THR 24 HB THR 24 -13.473 -9.478 3.852 172 HG1 THR 24 HG1 THR 24 -15.360 -7.959 5.334 173 HG21 THR 24 HG21 THR 24 -12.933 -9.063 6.223 174 HG22 THR 24 HG22 THR 24 -13.157 -7.334 5.966 175 HG23 THR 24 HG23 THR 24 -11.845 -8.182 5.151 176 H ASP 25 HN ASP 25 -14.008 -6.274 0.978 177 HA ASP 25 HA ASP 25 -13.621 -8.801 -0.468 178 HB2 ASP 25 HB2 ASP 25 -14.503 -7.847 -2.431 179 HB3 ASP 25 HB1 ASP 25 -15.460 -7.087 -1.174 180 H LEU 26 HN LEU 26 -11.932 -6.200 0.625 181 HA LEU 26 HA LEU 26 -9.913 -6.134 -1.393 182 HB2 LEU 26 HB2 LEU 26 -10.380 -4.154 -0.024 183 HB3 LEU 26 HB1 LEU 26 -9.932 -5.029 1.425 184 HG LEU 26 HG LEU 26 -7.609 -5.148 0.637 185 HD11 LEU 26 HD11 LEU 26 -8.021 -5.155 -1.750 186 HD12 LEU 26 HD12 LEU 26 -6.905 -3.862 -1.306 187 HD13 LEU 26 HD13 LEU 26 -8.591 -3.488 -1.669 188 HD21 LEU 26 HD21 LEU 26 -8.763 -2.363 0.608 189 HD22 LEU 26 HD22 LEU 26 -7.072 -2.776 0.889 190 HD23 LEU 26 HD23 LEU 26 -8.310 -3.282 2.042 191 H SER 27 HN SER 27 -9.582 -8.373 -1.493 192 HA SER 27 HA SER 27 -7.384 -9.274 0.139 193 HB2 SER 27 HB2 SER 27 -9.932 -10.883 -0.188 194 HB3 SER 27 HB1 SER 27 -8.455 -11.447 0.600 195 HG SER 27 HG SER 27 -9.197 -9.110 1.655 196 H GLY 28 HN GLY 28 -6.663 -11.487 -0.901 197 HA2 GLY 28 HA2 GLY 28 -5.971 -12.646 -2.724 198 HA3 GLY 28 HA1 GLY 28 -7.399 -12.052 -3.562 199 H ASP 29 HN ASP 29 -6.978 -10.926 -5.264 200 HA ASP 29 HA ASP 29 -4.489 -9.392 -5.364 201 HB2 ASP 29 HB2 ASP 29 -4.312 -11.024 -7.063 202 HB3 ASP 29 HB1 ASP 29 -5.984 -10.798 -7.570 203 H PHE 30 HN PHE 30 -4.538 -7.363 -5.793 204 HA PHE 30 HA PHE 30 -6.889 -5.999 -6.812 205 HB2 PHE 30 HB2 PHE 30 -6.961 -4.443 -4.875 206 HB3 PHE 30 HB1 PHE 30 -7.338 -6.091 -4.396 207 HD1 PHE 30 HD1 PHE 30 -5.513 -7.458 -3.236 208 HD2 PHE 30 HD2 PHE 30 -5.200 -3.255 -3.872 209 HE1 PHE 30 HE1 PHE 30 -3.799 -7.325 -1.498 210 HE2 PHE 30 HE2 PHE 30 -3.469 -3.129 -2.135 211 HZ PHE 30 HZ PHE 30 -2.768 -5.171 -0.947 212 H LEU 31 HN LEU 31 -3.901 -6.633 -7.215 213 HA LEU 31 HA LEU 31 -2.243 -4.449 -6.737 214 HB2 LEU 31 HB2 LEU 31 -1.542 -6.762 -7.246 215 HB3 LEU 31 HB1 LEU 31 -2.037 -6.526 -8.905 216 HG LEU 31 HG LEU 31 -0.313 -4.730 -9.100 217 HD11 LEU 31 HD11 LEU 31 -0.134 -4.145 -6.752 218 HD12 LEU 31 HD12 LEU 31 1.435 -4.627 -7.395 219 HD13 LEU 31 HD13 LEU 31 0.515 -5.742 -6.387 220 HD21 LEU 31 HD21 LEU 31 0.120 -6.996 -9.891 221 HD22 LEU 31 HD22 LEU 31 0.674 -7.466 -8.284 222 HD23 LEU 31 HD23 LEU 31 1.583 -6.277 -9.218 223 H ASP 32 HN ASP 32 -4.523 -4.997 -9.320 224 HA ASP 32 HA ASP 32 -3.285 -2.967 -11.014 225 HB2 ASP 32 HB2 ASP 32 -3.958 -5.103 -12.003 226 HB3 ASP 32 HB1 ASP 32 -5.620 -4.810 -11.520 227 H LEU 33 HN LEU 33 -5.846 -3.224 -8.774 228 HA LEU 33 HA LEU 33 -7.414 -1.068 -9.935 229 HB2 LEU 33 HB2 LEU 33 -7.723 -2.686 -7.392 230 HB3 LEU 33 HB1 LEU 33 -8.728 -1.304 -7.745 231 HG LEU 33 HG LEU 33 -9.938 -3.314 -8.218 232 HD11 LEU 33 HD11 LEU 33 -10.412 -1.454 -9.646 233 HD12 LEU 33 HD12 LEU 33 -10.562 -2.964 -10.548 234 HD13 LEU 33 HD13 LEU 33 -9.140 -1.945 -10.764 235 HD21 LEU 33 HD21 LEU 33 -7.724 -4.047 -10.134 236 HD22 LEU 33 HD22 LEU 33 -9.250 -4.915 -9.948 237 HD23 LEU 33 HD23 LEU 33 -8.097 -4.860 -8.614 238 H ARG 34 HN ARG 34 -7.514 1.029 -9.038 239 HA ARG 34 HA ARG 34 -5.012 1.710 -7.756 240 HB2 ARG 34 HB2 ARG 34 -7.307 3.556 -8.484 241 HB3 ARG 34 HB1 ARG 34 -5.733 4.060 -7.901 242 HG2 ARG 34 HG2 ARG 34 -5.336 4.370 -10.087 243 HG3 ARG 34 HG1 ARG 34 -5.008 2.637 -10.071 244 HD2 ARG 34 HD2 ARG 34 -6.482 3.130 -11.899 245 HD3 ARG 34 HD1 ARG 34 -7.384 2.239 -10.668 246 HE ARG 34 HE ARG 34 -7.584 5.066 -10.348 247 HH11 ARG 34 HH11 ARG 34 -8.992 2.285 -12.019 248 HH12 ARG 34 HH12 ARG 34 -10.469 3.038 -12.378 249 HH21 ARG 34 HH21 ARG 34 -9.677 6.138 -10.838 250 HH22 ARG 34 HH22 ARG 34 -10.847 5.274 -11.704 251 H PHE 35 HN PHE 35 -5.033 3.182 -5.863 252 HA PHE 35 HA PHE 35 -6.283 1.980 -3.722 253 HB2 PHE 35 HB2 PHE 35 -5.081 4.739 -3.940 254 HB3 PHE 35 HB1 PHE 35 -5.722 4.104 -2.424 255 HD1 PHE 35 HD1 PHE 35 -4.786 1.854 -1.615 256 HD2 PHE 35 HD2 PHE 35 -2.876 4.260 -4.556 257 HE1 PHE 35 HE1 PHE 35 -2.668 0.687 -1.182 258 HE2 PHE 35 HE2 PHE 35 -0.752 3.092 -4.131 259 HZ PHE 35 HZ PHE 35 -0.644 1.306 -2.447 260 H GLU 36 HN GLU 36 -7.388 4.780 -5.542 261 HA GLU 36 HA GLU 36 -9.682 5.356 -4.076 262 HB2 GLU 36 HB2 GLU 36 -10.528 6.421 -6.095 263 HB3 GLU 36 HB1 GLU 36 -8.827 6.792 -5.851 264 HG2 GLU 36 HG2 GLU 36 -8.293 4.975 -7.479 265 HG3 GLU 36 HG1 GLU 36 -10.020 4.863 -7.812 266 H ASP 37 HN ASP 37 -9.086 2.592 -6.119 267 HA ASP 37 HA ASP 37 -11.896 2.021 -6.568 268 HB2 ASP 37 HB2 ASP 37 -9.418 0.374 -7.167 269 HB3 ASP 37 HB1 ASP 37 -11.051 -0.163 -7.505 270 H ILE 38 HN ILE 38 -9.388 1.250 -4.358 271 HA ILE 38 HA ILE 38 -11.076 -0.810 -3.182 272 HB ILE 38 HB ILE 38 -9.104 -1.531 -1.866 273 HG12 ILE 38 HG12 ILE 38 -7.610 0.570 -3.468 274 HG13 ILE 38 HG11 ILE 38 -7.950 0.661 -1.746 275 HG21 ILE 38 HG21 ILE 38 -8.618 -1.327 -4.840 276 HG22 ILE 38 HG22 ILE 38 -9.566 -2.568 -4.020 277 HG23 ILE 38 HG23 ILE 38 -7.826 -2.465 -3.749 278 HD11 ILE 38 HD11 ILE 38 -5.652 -0.009 -2.162 279 HD12 ILE 38 HD12 ILE 38 -6.212 -1.394 -3.098 280 HD13 ILE 38 HD13 ILE 38 -6.548 -1.307 -1.369 281 H GLY 39 HN GLY 39 -11.320 2.167 -2.969 282 HA2 GLY 39 HA2 GLY 39 -12.451 3.445 -1.392 283 HA3 GLY 39 HA1 GLY 39 -12.270 2.128 -0.252 284 H TYR 40 HN TYR 40 -9.326 3.085 -1.613 285 HA TYR 40 HA TYR 40 -8.600 4.218 0.933 286 HB2 TYR 40 HB2 TYR 40 -7.126 2.978 -1.281 287 HB3 TYR 40 HB1 TYR 40 -6.293 4.252 -0.395 288 HD1 TYR 40 HD1 TYR 40 -8.101 1.042 0.064 289 HD2 TYR 40 HD2 TYR 40 -5.356 3.864 1.622 290 HE1 TYR 40 HE1 TYR 40 -7.535 -0.512 1.875 291 HE2 TYR 40 HE2 TYR 40 -4.777 2.358 3.411 292 HH TYR 40 HH TYR 40 -5.658 0.513 4.565 293 H ASP 41 HN ASP 41 -8.784 6.217 1.277 294 HA ASP 41 HA ASP 41 -8.475 8.150 -0.857 295 HB2 ASP 41 HB2 ASP 41 -9.174 9.787 0.790 296 HB3 ASP 41 HB1 ASP 41 -10.272 8.412 0.879 297 H SER 42 HN SER 42 -7.134 10.066 -0.160 298 HA SER 42 HA SER 42 -4.475 9.509 -0.136 299 HB2 SER 42 HB2 SER 42 -4.340 11.961 0.521 300 HB3 SER 42 HB1 SER 42 -5.273 11.557 -0.930 301 H LEU 43 HN LEU 43 -6.531 10.066 2.742 302 HA LEU 43 HA LEU 43 -4.246 10.391 4.469 303 HB2 LEU 43 HB2 LEU 43 -6.423 11.563 4.839 304 HB3 LEU 43 HB1 LEU 43 -7.151 10.023 5.216 305 HG LEU 43 HG LEU 43 -4.848 11.094 6.847 306 HD11 LEU 43 HD11 LEU 43 -6.506 12.059 8.356 307 HD12 LEU 43 HD12 LEU 43 -7.786 11.631 7.209 308 HD13 LEU 43 HD13 LEU 43 -6.542 12.800 6.753 309 HD21 LEU 43 HD21 LEU 43 -5.858 9.716 8.608 310 HD22 LEU 43 HD22 LEU 43 -5.489 8.736 7.188 311 HD23 LEU 43 HD23 LEU 43 -7.148 9.242 7.504 312 H ALA 44 HN ALA 44 -6.665 7.900 3.875 313 HA ALA 44 HA ALA 44 -5.594 6.046 5.736 314 HB1 ALA 44 HB1 ALA 44 -6.883 4.338 4.534 315 HB2 ALA 44 HB2 ALA 44 -7.144 5.466 3.202 316 HB3 ALA 44 HB3 ALA 44 -7.852 5.791 4.787 317 H LEU 45 HN LEU 45 -4.817 6.873 2.483 318 HA LEU 45 HA LEU 45 -3.099 4.738 1.904 319 HB2 LEU 45 HB2 LEU 45 -4.003 6.090 0.159 320 HB3 LEU 45 HB1 LEU 45 -3.272 7.532 0.824 321 HG LEU 45 HG LEU 45 -1.071 6.775 0.172 322 HD11 LEU 45 HD11 LEU 45 -2.453 4.307 -0.874 323 HD12 LEU 45 HD12 LEU 45 -1.402 4.398 0.542 324 HD13 LEU 45 HD13 LEU 45 -0.739 4.717 -1.063 325 HD21 LEU 45 HD21 LEU 45 -1.390 6.806 -2.248 326 HD22 LEU 45 HD22 LEU 45 -2.427 7.978 -1.413 327 HD23 LEU 45 HD23 LEU 45 -3.108 6.458 -2.001 328 H MET 46 HN MET 46 -2.443 7.954 3.356 329 HA MET 46 HA MET 46 0.348 7.460 3.454 330 HB2 MET 46 HB2 MET 46 0.630 9.379 4.867 331 HB3 MET 46 HB1 MET 46 -0.619 9.782 3.706 332 HG2 MET 46 HG2 MET 46 -2.326 9.499 5.374 333 HG3 MET 46 HG1 MET 46 -1.147 8.892 6.531 334 HE1 MET 46 HE1 MET 46 -3.184 11.220 7.214 335 HE2 MET 46 HE2 MET 46 -2.130 12.355 8.056 336 HE3 MET 46 HE3 MET 46 -1.977 10.623 8.353 337 H GLU 47 HN GLU 47 -2.292 6.643 5.582 338 HA GLU 47 HA GLU 47 -0.753 5.855 7.804 339 HB2 GLU 47 HB2 GLU 47 -3.385 4.702 6.878 340 HB3 GLU 47 HB1 GLU 47 -2.672 4.454 8.462 341 HG2 GLU 47 HG2 GLU 47 -2.748 7.055 8.587 342 HG3 GLU 47 HG1 GLU 47 -3.935 6.870 7.289 343 H THR 48 HN THR 48 -1.796 4.161 4.952 344 HA THR 48 HA THR 48 -0.867 1.584 5.513 345 HB THR 48 HB THR 48 -1.044 2.995 2.837 346 HG1 THR 48 HG1 THR 48 -3.053 3.097 3.952 347 HG21 THR 48 HG21 THR 48 -1.417 0.735 1.947 348 HG22 THR 48 HG22 THR 48 -1.228 0.059 3.563 349 HG23 THR 48 HG23 THR 48 0.143 0.831 2.766 350 H ALA 49 HN ALA 49 0.632 4.234 3.643 351 HA ALA 49 HA ALA 49 3.087 3.047 3.120 352 HB1 ALA 49 HB1 ALA 49 2.504 5.979 3.551 353 HB2 ALA 49 HB2 ALA 49 2.299 5.105 2.032 354 HB3 ALA 49 HB3 ALA 49 3.911 5.315 2.721 355 H ALA 50 HN ALA 50 2.159 5.168 5.818 356 HA ALA 50 HA ALA 50 4.555 5.273 7.204 357 HB1 ALA 50 HB1 ALA 50 3.217 5.838 9.152 358 HB2 ALA 50 HB2 ALA 50 1.768 5.231 8.349 359 HB3 ALA 50 HB3 ALA 50 2.601 6.650 7.713 360 H ARG 51 HN ARG 51 1.958 2.904 7.442 361 HA ARG 51 HA ARG 51 3.028 1.410 9.575 362 HB2 ARG 51 HB2 ARG 51 0.669 1.268 8.945 363 HB3 ARG 51 HB1 ARG 51 1.105 0.589 7.385 364 HG2 ARG 51 HG2 ARG 51 1.941 -1.410 8.459 365 HG3 ARG 51 HG1 ARG 51 1.625 -0.709 10.046 366 HD2 ARG 51 HD2 ARG 51 -0.763 -0.695 9.598 367 HD3 ARG 51 HD1 ARG 51 -0.479 -1.285 7.957 368 HE ARG 51 HE ARG 51 0.657 -3.211 9.266 369 HH11 ARG 51 HH11 ARG 51 -2.413 -1.630 10.250 370 HH12 ARG 51 HH12 ARG 51 -2.972 -3.028 11.027 371 HH21 ARG 51 HH21 ARG 51 -0.199 -5.067 10.321 372 HH22 ARG 51 HH22 ARG 51 -1.738 -5.013 11.041 373 H LEU 52 HN LEU 52 3.393 1.163 6.091 374 HA LEU 52 HA LEU 52 4.917 -1.233 6.177 375 HB2 LEU 52 HB2 LEU 52 4.665 0.852 4.022 376 HB3 LEU 52 HB1 LEU 52 5.509 -0.676 3.828 377 HG LEU 52 HG LEU 52 2.568 -0.380 4.428 378 HD11 LEU 52 HD11 LEU 52 2.253 -1.186 2.147 379 HD12 LEU 52 HD12 LEU 52 4.001 -1.149 1.897 380 HD13 LEU 52 HD13 LEU 52 3.116 0.349 2.182 381 HD21 LEU 52 HD21 LEU 52 3.509 -2.415 5.364 382 HD22 LEU 52 HD22 LEU 52 4.228 -2.814 3.805 383 HD23 LEU 52 HD23 LEU 52 2.471 -2.781 3.986 384 H GLU 53 HN GLU 53 5.752 2.192 6.095 385 HA GLU 53 HA GLU 53 8.536 1.899 5.925 386 HB2 GLU 53 HB2 GLU 53 6.920 4.045 7.315 387 HB3 GLU 53 HB1 GLU 53 8.653 4.124 7.049 388 HG2 GLU 53 HG2 GLU 53 8.273 4.062 4.632 389 HG3 GLU 53 HG1 GLU 53 6.534 4.018 4.918 390 H SER 54 HN SER 54 6.344 1.859 8.633 391 HA SER 54 HA SER 54 8.173 1.789 10.738 392 HB2 SER 54 HB2 SER 54 5.762 2.253 10.997 393 HB3 SER 54 HB1 SER 54 5.388 0.599 10.543 394 HG SER 54 HG SER 54 5.328 0.848 12.741 395 H ARG 55 HN ARG 55 6.402 -0.931 9.242 396 HA ARG 55 HA ARG 55 7.800 -2.897 10.678 397 HB2 ARG 55 HB2 ARG 55 5.660 -3.436 9.803 398 HB3 ARG 55 HB1 ARG 55 6.176 -3.098 8.154 399 HG2 ARG 55 HG2 ARG 55 7.780 -4.970 8.312 400 HG3 ARG 55 HG1 ARG 55 7.139 -5.341 9.911 401 HD2 ARG 55 HD2 ARG 55 5.012 -5.873 9.006 402 HD3 ARG 55 HD1 ARG 55 5.473 -5.251 7.418 403 HE ARG 55 HE ARG 55 7.273 -7.245 8.192 404 HH11 ARG 55 HH11 ARG 55 3.898 -6.956 7.161 405 HH12 ARG 55 HH12 ARG 55 3.920 -8.457 6.326 406 HH21 ARG 55 HH21 ARG 55 7.260 -9.261 7.152 407 HH22 ARG 55 HH22 ARG 55 5.868 -9.852 6.377 408 H TYR 56 HN TYR 56 8.210 -1.869 7.286 409 HA TYR 56 HA TYR 56 10.242 -3.855 6.945 410 HB2 TYR 56 HB2 TYR 56 9.171 -1.779 5.039 411 HB3 TYR 56 HB1 TYR 56 10.428 -2.933 4.607 412 HD1 TYR 56 HD1 TYR 56 6.870 -2.534 5.445 413 HD2 TYR 56 HD2 TYR 56 9.889 -5.280 4.249 414 HE1 TYR 56 HE1 TYR 56 5.135 -4.162 4.840 415 HE2 TYR 56 HE2 TYR 56 8.168 -6.918 3.643 416 HH TYR 56 HH TYR 56 5.802 -7.417 4.198 417 H GLY 57 HN GLY 57 10.317 -0.587 7.931 418 HA2 GLY 57 HA2 GLY 57 12.165 0.611 8.643 419 HA3 GLY 57 HA1 GLY 57 13.184 -0.739 8.143 420 H VAL 58 HN VAL 58 10.904 1.297 6.424 421 HA VAL 58 HA VAL 58 13.065 2.101 4.642 422 HB VAL 58 HB VAL 58 11.488 2.113 2.716 423 HG11 VAL 58 HG11 VAL 58 12.943 0.197 3.001 424 HG12 VAL 58 HG12 VAL 58 11.388 -0.304 2.334 425 HG13 VAL 58 HG13 VAL 58 11.748 -0.579 4.038 426 HG21 VAL 58 HG21 VAL 58 9.376 2.320 3.923 427 HG22 VAL 58 HG22 VAL 58 9.585 0.704 4.596 428 HG23 VAL 58 HG23 VAL 58 9.343 0.910 2.860 429 H SER 59 HN SER 59 12.298 4.042 3.305 430 HA SER 59 HA SER 59 10.519 5.769 4.826 431 HB2 SER 59 HB2 SER 59 13.362 6.469 4.065 432 HB3 SER 59 HB1 SER 59 12.181 7.613 4.702 433 HG SER 59 HG SER 59 11.968 6.092 6.479 434 H ILE 60 HN ILE 60 9.090 6.444 3.494 435 HA ILE 60 HA ILE 60 9.647 6.500 0.615 436 HB ILE 60 HB ILE 60 6.981 6.768 2.041 437 HG12 ILE 60 HG12 ILE 60 8.189 4.339 0.687 438 HG13 ILE 60 HG11 ILE 60 8.031 4.556 2.425 439 HG21 ILE 60 HG21 ILE 60 7.634 6.265 -0.867 440 HG22 ILE 60 HG22 ILE 60 6.988 7.760 -0.190 441 HG23 ILE 60 HG23 ILE 60 6.013 6.291 -0.171 442 HD11 ILE 60 HD11 ILE 60 5.596 4.588 2.194 443 HD12 ILE 60 HD12 ILE 60 6.295 3.098 1.559 444 HD13 ILE 60 HD13 ILE 60 5.764 4.363 0.451 445 HA PRO 61 HA PRO 61 9.880 11.022 0.946 446 HB2 PRO 61 HB2 PRO 61 9.825 10.749 -2.019 447 HB3 PRO 61 HB1 PRO 61 10.984 11.613 -1.000 448 HG2 PRO 61 HG2 PRO 61 11.666 9.322 -2.167 449 HG3 PRO 61 HG1 PRO 61 12.189 9.687 -0.511 450 HD2 PRO 61 HD2 PRO 61 9.964 7.912 -1.446 451 HD3 PRO 61 HD1 PRO 61 11.157 7.638 -0.156 452 H ASP 62 HN ASP 62 8.336 12.580 0.667 453 HA ASP 62 HA ASP 62 5.668 11.707 0.730 454 HB2 ASP 62 HB2 ASP 62 6.670 14.534 0.370 455 HB3 ASP 62 HB1 ASP 62 5.034 14.074 0.833 456 H ASP 63 HN ASP 63 7.465 13.243 -1.818 457 HA ASP 63 HA ASP 63 5.219 13.575 -3.533 458 HB2 ASP 63 HB2 ASP 63 6.855 14.126 -5.284 459 HB3 ASP 63 HB1 ASP 63 7.206 14.980 -3.787 460 H VAL 64 HN VAL 64 7.420 11.000 -2.916 461 HA VAL 64 HA VAL 64 6.717 9.509 -5.268 462 HB VAL 64 HB VAL 64 8.093 8.551 -2.727 463 HG11 VAL 64 HG11 VAL 64 8.859 6.671 -4.097 464 HG12 VAL 64 HG12 VAL 64 7.910 7.277 -5.455 465 HG13 VAL 64 HG13 VAL 64 7.100 6.720 -3.991 466 HG21 VAL 64 HG21 VAL 64 9.267 9.416 -5.368 467 HG22 VAL 64 HG22 VAL 64 10.170 8.729 -4.017 468 HG23 VAL 64 HG23 VAL 64 9.376 10.294 -3.843 469 H ALA 65 HN ALA 65 5.791 9.599 -1.873 470 HA ALA 65 HA ALA 65 3.968 7.460 -1.886 471 HB1 ALA 65 HB1 ALA 65 3.855 10.011 -0.264 472 HB2 ALA 65 HB2 ALA 65 4.743 8.552 0.175 473 HB3 ALA 65 HB3 ALA 65 2.980 8.522 0.096 474 H GLY 66 HN GLY 66 3.737 10.727 -3.027 475 HA2 GLY 66 HA2 GLY 66 0.906 10.678 -3.446 476 HA3 GLY 66 HA1 GLY 66 2.029 11.900 -4.015 477 H ARG 67 HN ARG 67 3.553 9.377 -5.259 478 HA ARG 67 HA ARG 67 1.999 9.624 -7.728 479 HB2 ARG 67 HB2 ARG 67 3.905 8.770 -8.971 480 HB3 ARG 67 HB1 ARG 67 4.365 10.148 -7.991 481 HG2 ARG 67 HG2 ARG 67 5.616 8.822 -6.513 482 HG3 ARG 67 HG1 ARG 67 4.837 7.337 -7.046 483 HD2 ARG 67 HD2 ARG 67 6.578 9.037 -8.833 484 HD3 ARG 67 HD1 ARG 67 7.180 7.660 -7.903 485 HE ARG 67 HE ARG 67 5.689 6.247 -9.145 486 HH11 ARG 67 HH11 ARG 67 6.573 9.318 -10.679 487 HH12 ARG 67 HH12 ARG 67 5.861 8.934 -12.180 488 HH21 ARG 67 HH21 ARG 67 4.778 5.692 -11.175 489 HH22 ARG 67 HH22 ARG 67 4.759 6.791 -12.480 490 H VAL 68 HN VAL 68 2.172 7.489 -5.265 491 HA VAL 68 HA VAL 68 1.885 5.212 -7.002 492 HB VAL 68 HB VAL 68 1.854 3.798 -4.966 493 HG11 VAL 68 HG11 VAL 68 4.111 5.784 -5.049 494 HG12 VAL 68 HG12 VAL 68 3.969 4.300 -5.996 495 HG13 VAL 68 HG13 VAL 68 4.159 4.215 -4.245 496 HG21 VAL 68 HG21 VAL 68 2.374 4.730 -2.785 497 HG22 VAL 68 HG22 VAL 68 0.813 5.339 -3.359 498 HG23 VAL 68 HG23 VAL 68 2.254 6.368 -3.425 499 H ASP 69 HN ASP 69 0.045 5.459 -8.077 500 HA ASP 69 HA ASP 69 -2.477 5.967 -6.677 501 HB2 ASP 69 HB2 ASP 69 -1.935 5.337 -9.591 502 HB3 ASP 69 HB1 ASP 69 -3.517 5.670 -8.923 503 H THR 70 HN THR 70 -0.787 3.417 -8.360 504 HA THR 70 HA THR 70 -2.896 1.549 -7.670 505 HB THR 70 HB THR 70 -1.572 0.030 -9.178 506 HG1 THR 70 HG1 THR 70 -0.160 1.557 -10.633 507 HG21 THR 70 HG21 THR 70 -2.294 1.109 -11.274 508 HG22 THR 70 HG22 THR 70 -2.497 2.633 -10.414 509 HG23 THR 70 HG23 THR 70 -3.533 1.261 -10.026 510 HA PRO 71 HA PRO 71 -0.385 -0.235 -4.420 511 HB2 PRO 71 HB2 PRO 71 -1.278 -2.843 -5.562 512 HB3 PRO 71 HB1 PRO 71 -1.414 -2.247 -3.903 513 HG2 PRO 71 HG2 PRO 71 -3.548 -2.348 -5.460 514 HG3 PRO 71 HG1 PRO 71 -3.286 -0.958 -4.385 515 HD2 PRO 71 HD2 PRO 71 -2.824 -1.191 -7.329 516 HD3 PRO 71 HD1 PRO 71 -3.522 0.152 -6.399 517 H ARG 72 HN ARG 72 -0.332 -1.335 -7.706 518 HA ARG 72 HA ARG 72 1.965 -2.812 -8.000 519 HB2 ARG 72 HB2 ARG 72 0.447 -2.381 -9.818 520 HB3 ARG 72 HB1 ARG 72 0.811 -0.667 -9.775 521 HG2 ARG 72 HG2 ARG 72 3.109 -1.163 -10.497 522 HG3 ARG 72 HG1 ARG 72 2.687 -2.878 -10.592 523 HD2 ARG 72 HD2 ARG 72 1.388 -0.642 -12.133 524 HD3 ARG 72 HD1 ARG 72 2.558 -1.788 -12.781 525 HE ARG 72 HE ARG 72 0.934 -3.551 -12.211 526 HH11 ARG 72 HH11 ARG 72 -0.299 -0.214 -12.876 527 HH12 ARG 72 HH12 ARG 72 -1.805 -0.782 -13.409 528 HH21 ARG 72 HH21 ARG 72 -1.172 -4.227 -12.896 529 HH22 ARG 72 HH22 ARG 72 -2.354 -3.099 -13.406 530 H GLU 73 HN GLU 73 1.689 0.737 -8.195 531 HA GLU 73 HA GLU 73 4.427 1.291 -8.503 532 HB2 GLU 73 HB2 GLU 73 2.142 2.974 -7.475 533 HB3 GLU 73 HB1 GLU 73 3.759 3.595 -7.758 534 HG2 GLU 73 HG2 GLU 73 2.027 2.335 -9.863 535 HG3 GLU 73 HG1 GLU 73 2.163 4.070 -9.572 536 H LEU 74 HN LEU 74 2.340 1.139 -5.694 537 HA LEU 74 HA LEU 74 4.229 2.104 -3.825 538 HB2 LEU 74 HB2 LEU 74 1.723 2.079 -3.565 539 HB3 LEU 74 HB1 LEU 74 1.808 0.353 -3.329 540 HG LEU 74 HG LEU 74 1.470 1.717 -1.251 541 HD11 LEU 74 HD11 LEU 74 3.956 0.033 -1.295 542 HD12 LEU 74 HD12 LEU 74 2.304 -0.546 -1.080 543 HD13 LEU 74 HD13 LEU 74 3.043 0.490 0.142 544 HD21 LEU 74 HD21 LEU 74 3.407 2.870 -0.278 545 HD22 LEU 74 HD22 LEU 74 2.909 3.599 -1.809 546 HD23 LEU 74 HD23 LEU 74 4.322 2.559 -1.754 547 H LEU 75 HN LEU 75 3.194 -1.160 -4.693 548 HA LEU 75 HA LEU 75 4.756 -2.757 -3.042 549 HB2 LEU 75 HB2 LEU 75 3.006 -3.610 -4.509 550 HB3 LEU 75 HB1 LEU 75 3.921 -3.136 -5.921 551 HG LEU 75 HG LEU 75 5.662 -4.814 -5.255 552 HD11 LEU 75 HD11 LEU 75 3.542 -5.674 -3.316 553 HD12 LEU 75 HD12 LEU 75 5.114 -4.987 -2.913 554 HD13 LEU 75 HD13 LEU 75 5.015 -6.563 -3.701 555 HD21 LEU 75 HD21 LEU 75 4.035 -5.282 -6.995 556 HD22 LEU 75 HD22 LEU 75 2.883 -5.849 -5.786 557 HD23 LEU 75 HD23 LEU 75 4.384 -6.735 -6.059 558 H ASP 76 HN ASP 76 5.407 -1.572 -6.286 559 HA ASP 76 HA ASP 76 7.957 -2.625 -6.638 560 HB2 ASP 76 HB2 ASP 76 6.396 -1.647 -8.382 561 HB3 ASP 76 HB1 ASP 76 6.945 -0.062 -7.860 562 H LEU 77 HN LEU 77 6.904 0.532 -5.335 563 HA LEU 77 HA LEU 77 9.481 1.599 -5.101 564 HB2 LEU 77 HB2 LEU 77 7.362 2.919 -5.097 565 HB3 LEU 77 HB1 LEU 77 6.999 2.302 -3.508 566 HG LEU 77 HG LEU 77 7.858 4.669 -3.639 567 HD11 LEU 77 HD11 LEU 77 9.293 4.521 -1.665 568 HD12 LEU 77 HD12 LEU 77 9.441 2.782 -1.906 569 HD13 LEU 77 HD13 LEU 77 7.872 3.486 -1.517 570 HD21 LEU 77 HD21 LEU 77 10.283 4.990 -3.843 571 HD22 LEU 77 HD22 LEU 77 9.568 4.351 -5.323 572 HD23 LEU 77 HD23 LEU 77 10.462 3.281 -4.244 573 H ILE 78 HN ILE 78 7.492 -0.209 -2.786 574 HA ILE 78 HA ILE 78 9.235 0.091 -0.569 575 HB ILE 78 HB ILE 78 7.292 -2.168 -1.172 576 HG12 ILE 78 HG12 ILE 78 6.192 0.017 -1.008 577 HG13 ILE 78 HG11 ILE 78 5.768 -0.999 0.363 578 HG21 ILE 78 HG21 ILE 78 8.631 -1.461 1.443 579 HG22 ILE 78 HG22 ILE 78 8.939 -2.896 0.465 580 HG23 ILE 78 HG23 ILE 78 7.370 -2.678 1.235 581 HD11 ILE 78 HD11 ILE 78 7.786 1.236 0.371 582 HD12 ILE 78 HD12 ILE 78 7.364 0.224 1.753 583 HD13 ILE 78 HD13 ILE 78 6.158 1.300 1.046 584 H ASN 79 HN ASN 79 8.832 -2.609 -2.836 585 HA ASN 79 HA ASN 79 11.016 -4.082 -1.833 586 HB2 ASN 79 HB2 ASN 79 9.605 -4.209 -4.491 587 HB3 ASN 79 HB1 ASN 79 10.909 -5.304 -4.049 588 HD21 ASN 79 HD21 ASN 79 8.075 -5.806 -4.603 589 HD22 ASN 79 HD22 ASN 79 7.476 -6.621 -3.200 590 H GLY 80 HN GLY 80 10.810 -1.591 -4.265 591 HA2 GLY 80 HA2 GLY 80 13.404 -1.859 -5.328 592 HA3 GLY 80 HA1 GLY 80 12.440 -0.383 -5.328 593 H ALA 81 HN ALA 81 12.165 -0.102 -2.525 594 HA ALA 81 HA ALA 81 14.649 1.127 -1.881 595 HB1 ALA 81 HB1 ALA 81 12.498 2.038 -1.107 596 HB2 ALA 81 HB2 ALA 81 13.576 1.703 0.249 597 HB3 ALA 81 HB3 ALA 81 12.250 0.598 -0.119 598 H LEU 82 HN LEU 82 12.987 -1.802 -0.855 599 HA LEU 82 HA LEU 82 14.815 -2.648 1.111 600 HB2 LEU 82 HB2 LEU 82 13.004 -4.267 -0.682 601 HB3 LEU 82 HB1 LEU 82 13.867 -4.920 0.694 602 HG LEU 82 HG LEU 82 11.787 -2.739 0.885 603 HD11 LEU 82 HD11 LEU 82 11.551 -5.693 1.441 604 HD12 LEU 82 HD12 LEU 82 10.790 -4.822 0.110 605 HD13 LEU 82 HD13 LEU 82 10.319 -4.476 1.776 606 HD21 LEU 82 HD21 LEU 82 13.119 -4.441 2.994 607 HD22 LEU 82 HD22 LEU 82 11.841 -3.259 3.272 608 HD23 LEU 82 HD23 LEU 82 13.422 -2.727 2.700 609 H ALA 83 HN ALA 83 14.699 -3.152 -2.369 610 HA ALA 83 HA ALA 83 16.843 -4.925 -2.655 611 HB1 ALA 83 HB1 ALA 83 16.905 -4.190 -4.985 612 HB2 ALA 83 HB2 ALA 83 15.902 -2.797 -4.581 613 HB3 ALA 83 HB3 ALA 83 15.243 -4.427 -4.448 614 H GLU 84 HN GLU 84 16.728 -1.425 -2.554 615 HA GLU 84 HA GLU 84 19.504 -1.015 -3.008 616 HB2 GLU 84 HB2 GLU 84 17.392 0.754 -1.789 617 HB3 GLU 84 HB1 GLU 84 19.029 1.275 -2.162 618 HG2 GLU 84 HG2 GLU 84 17.067 0.207 -4.169 619 HG3 GLU 84 HG1 GLU 84 17.380 1.915 -3.866 620 H ALA 85 HN ALA 85 17.468 -1.215 -0.173 621 HA ALA 85 HA ALA 85 17.806 -1.889 1.907 622 HB1 ALA 85 HB1 ALA 85 19.796 -3.073 2.609 623 HB2 ALA 85 HB2 ALA 85 20.669 -2.507 1.185 624 HB3 ALA 85 HB3 ALA 85 19.313 -3.615 1.002 625 H ALA 86 HN ALA 86 18.116 -0.962 3.773 626 HA ALA 86 HA ALA 86 19.366 1.633 3.821 627 HB1 ALA 86 HB1 ALA 86 18.456 1.776 6.101 628 HB2 ALA 86 HB2 ALA 86 17.958 0.087 6.007 629 HB3 ALA 86 HB3 ALA 86 17.211 1.286 4.951 630 H28 SXH 87 H28B SXH 87 -5.069 12.490 2.932 631 H28A SXH 87 H28A SXH 87 -5.421 14.097 3.568 632 H30 SXH 87 H30C SXH 87 -3.290 12.152 4.532 633 H30A SXH 87 H30A SXH 87 -3.732 13.722 5.238 634 H30B SXH 87 H30B SXH 87 -2.062 13.401 4.748 635 H31 SXH 87 H31A SXH 87 -2.718 13.272 1.148 636 H31A SXH 87 H31C SXH 87 -1.457 13.076 2.365 637 H31B SXH 87 H31B SXH 87 -2.755 11.889 2.242 638 H32 SXH 87 H32A SXH 87 -3.670 15.907 3.540 639 HO33 SXH 87 H33A SXH 87 -1.822 15.492 1.543 640 HN36 SXH 87 H36A SXH 87 -2.375 16.048 5.377 641 H37 SXH 87 H37A SXH 87 -0.545 15.864 6.734 642 H37A SXH 87 H37B SXH 87 0.509 15.455 5.399 643 H38 SXH 87 H38A SXH 87 -0.701 18.235 5.960 644 H38A SXH 87 H38B SXH 87 0.771 17.637 6.665 645 HN41 SXH 87 H41A SXH 87 0.947 16.327 3.829 646 H42 SXH 87 H42A SXH 87 1.683 18.331 1.982 647 H42A SXH 87 H42B SXH 87 3.108 17.689 2.804 648 H43 SXH 87 H43A SXH 87 2.685 16.450 0.720 649 H43A SXH 87 H43B SXH 87 1.053 16.055 1.343 650 H2 SXH 87 H2A SXH 87 2.898 12.291 2.668 651 H2A SXH 87 H2B SXH 87 3.345 11.765 1.044 652 H3 SXH 87 H3A SXH 87 0.532 12.126 2.043 653 H3A SXH 87 H3B SXH 87 1.397 10.593 1.963 654 H4 SXH 87 H4B SXH 87 0.716 12.368 -0.386 655 H4A SXH 87 H4A SXH 87 1.621 10.855 -0.476 656 H5 SXH 87 H5A SXH 87 -0.739 10.529 -1.088 657 H5A SXH 87 H5B SXH 87 -1.226 11.139 0.506 658 H6 SXH 87 H6C SXH 87 -1.213 8.689 0.427 659 H6A SXH 87 H6A SXH 87 -0.013 9.297 1.564 660 H6B SXH 87 H6B SXH 87 0.492 8.715 -0.021 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 16.303 -14.623 3.764 2 H2 MET 1 HT2 MET 1 16.723 -13.270 4.689 3 H3 MET 1 HT3 MET 1 17.363 -14.770 5.099 4 HA MET 1 HA MET 1 18.926 -13.322 4.010 5 HB2 MET 1 HB2 MET 1 18.072 -15.678 2.298 6 HB3 MET 1 HB1 MET 1 19.599 -14.829 2.114 7 HG2 MET 1 HG2 MET 1 20.245 -15.484 4.372 8 HG3 MET 1 HG1 MET 1 18.706 -16.317 4.571 9 HE1 MET 1 HE1 MET 1 21.302 -19.245 4.377 10 HE2 MET 1 HE2 MET 1 20.006 -18.509 5.319 11 HE3 MET 1 HE3 MET 1 21.539 -17.661 5.117 12 H ALA 2 HN ALA 2 17.230 -14.390 1.072 13 HA ALA 2 HA ALA 2 17.182 -11.611 0.239 14 HB1 ALA 2 HB1 ALA 2 16.652 -12.555 -1.985 15 HB2 ALA 2 HB2 ALA 2 16.631 -14.173 -1.285 16 HB3 ALA 2 HB3 ALA 2 18.135 -13.252 -1.330 17 H THR 3 HN THR 3 15.473 -10.656 1.082 18 HA THR 3 HA THR 3 12.954 -12.135 1.041 19 HB THR 3 HB THR 3 13.669 -12.125 3.293 20 HG1 THR 3 HG1 THR 3 11.699 -11.743 3.708 21 HG21 THR 3 HG21 THR 3 14.243 -10.084 4.570 22 HG22 THR 3 HG22 THR 3 14.096 -9.131 3.093 23 HG23 THR 3 HG23 THR 3 15.359 -10.353 3.231 24 H LEU 4 HN LEU 4 11.856 -11.306 -0.515 25 HA LEU 4 HA LEU 4 11.617 -8.394 -0.795 26 HB2 LEU 4 HB2 LEU 4 10.743 -10.633 -2.626 27 HB3 LEU 4 HB1 LEU 4 10.454 -8.932 -2.922 28 HG LEU 4 HG LEU 4 13.151 -10.289 -2.830 29 HD11 LEU 4 HD11 LEU 4 11.879 -10.808 -4.834 30 HD12 LEU 4 HD12 LEU 4 13.227 -9.736 -5.210 31 HD13 LEU 4 HD13 LEU 4 11.587 -9.089 -5.102 32 HD21 LEU 4 HD21 LEU 4 14.048 -8.116 -3.544 33 HD22 LEU 4 HD22 LEU 4 13.283 -8.006 -1.960 34 HD23 LEU 4 HD23 LEU 4 12.442 -7.407 -3.388 35 H LEU 5 HN LEU 5 9.280 -7.875 -1.606 36 HA LEU 5 HA LEU 5 7.423 -9.100 0.309 37 HB2 LEU 5 HB2 LEU 5 8.286 -6.886 1.054 38 HB3 LEU 5 HB1 LEU 5 7.700 -6.171 -0.421 39 HG LEU 5 HG LEU 5 5.789 -7.455 1.526 40 HD11 LEU 5 HD11 LEU 5 6.883 -4.658 1.550 41 HD12 LEU 5 HD12 LEU 5 7.145 -5.888 2.784 42 HD13 LEU 5 HD13 LEU 5 5.529 -5.229 2.519 43 HD21 LEU 5 HD21 LEU 5 4.953 -6.822 -0.694 44 HD22 LEU 5 HD22 LEU 5 5.528 -5.177 -0.435 45 HD23 LEU 5 HD23 LEU 5 4.239 -5.832 0.577 46 H THR 6 HN THR 6 5.649 -9.893 -0.672 47 HA THR 6 HA THR 6 5.349 -9.238 -3.504 48 HB THR 6 HB THR 6 4.044 -11.305 -3.661 49 HG1 THR 6 HG1 THR 6 4.615 -11.569 -0.854 50 HG21 THR 6 HG21 THR 6 5.837 -12.923 -3.177 51 HG22 THR 6 HG22 THR 6 6.657 -11.714 -2.186 52 HG23 THR 6 HG23 THR 6 6.490 -11.465 -3.922 53 H THR 7 HN THR 7 2.914 -9.705 -4.163 54 HA THR 7 HA THR 7 1.274 -7.733 -3.197 55 HB THR 7 HB THR 7 -0.510 -9.380 -4.304 56 HG1 THR 7 HG1 THR 7 0.507 -11.148 -4.847 57 HG21 THR 7 HG21 THR 7 0.184 -7.186 -5.186 58 HG22 THR 7 HG22 THR 7 0.086 -8.383 -6.477 59 HG23 THR 7 HG23 THR 7 1.657 -7.912 -5.828 60 H ASP 8 HN ASP 8 1.710 -11.013 -2.012 61 HA ASP 8 HA ASP 8 -0.718 -11.023 -0.485 62 HB2 ASP 8 HB2 ASP 8 0.387 -13.151 -1.157 63 HB3 ASP 8 HB1 ASP 8 1.742 -12.758 -0.103 64 H ASP 9 HN ASP 9 2.661 -10.358 0.168 65 HA ASP 9 HA ASP 9 2.461 -9.922 2.964 66 HB2 ASP 9 HB2 ASP 9 4.399 -8.646 1.006 67 HB3 ASP 9 HB1 ASP 9 4.578 -8.652 2.749 68 H LEU 10 HN LEU 10 2.165 -7.839 0.169 69 HA LEU 10 HA LEU 10 1.793 -5.411 1.571 70 HB2 LEU 10 HB2 LEU 10 2.470 -5.581 -0.814 71 HB3 LEU 10 HB1 LEU 10 0.870 -6.165 -1.207 72 HG LEU 10 HG LEU 10 -0.084 -3.994 -0.527 73 HD11 LEU 10 HD11 LEU 10 1.394 -2.100 -0.094 74 HD12 LEU 10 HD12 LEU 10 2.793 -3.174 -0.154 75 HD13 LEU 10 HD13 LEU 10 1.595 -3.357 1.127 76 HD21 LEU 10 HD21 LEU 10 0.542 -4.390 -2.861 77 HD22 LEU 10 HD22 LEU 10 2.161 -3.776 -2.532 78 HD23 LEU 10 HD23 LEU 10 0.768 -2.701 -2.411 79 H ARG 11 HN ARG 11 -0.449 -7.790 0.206 80 HA ARG 11 HA ARG 11 -2.863 -6.577 0.718 81 HB2 ARG 11 HB2 ARG 11 -2.672 -8.604 -0.608 82 HB3 ARG 11 HB1 ARG 11 -2.184 -9.513 0.804 83 HG2 ARG 11 HG2 ARG 11 -4.341 -9.435 1.746 84 HG3 ARG 11 HG1 ARG 11 -4.865 -8.170 0.628 85 HD2 ARG 11 HD2 ARG 11 -5.742 -10.431 0.064 86 HD3 ARG 11 HD1 ARG 11 -4.791 -9.693 -1.222 87 HE ARG 11 HE ARG 11 -3.450 -11.510 0.611 88 HH11 ARG 11 HH11 ARG 11 -4.956 -11.066 -2.573 89 HH12 ARG 11 HH12 ARG 11 -4.063 -12.296 -3.346 90 HH21 ARG 11 HH21 ARG 11 -2.244 -13.272 -0.439 91 HH22 ARG 11 HH22 ARG 11 -2.512 -13.621 -2.075 92 H ARG 12 HN ARG 12 -0.969 -8.585 2.880 93 HA ARG 12 HA ARG 12 -2.734 -8.730 5.062 94 HB2 ARG 12 HB2 ARG 12 0.280 -8.457 5.274 95 HB3 ARG 12 HB1 ARG 12 -0.793 -9.228 6.429 96 HG2 ARG 12 HG2 ARG 12 -1.215 -11.041 4.913 97 HG3 ARG 12 HG1 ARG 12 -0.324 -10.228 3.628 98 HD2 ARG 12 HD2 ARG 12 1.682 -10.293 5.206 99 HD3 ARG 12 HD1 ARG 12 0.742 -11.432 6.169 100 HE ARG 12 HE ARG 12 0.731 -12.351 3.536 101 HH11 ARG 12 HH11 ARG 12 3.068 -12.087 6.215 102 HH12 ARG 12 HH12 ARG 12 4.200 -13.121 5.452 103 HH21 ARG 12 HH21 ARG 12 2.151 -13.773 2.649 104 HH22 ARG 12 HH22 ARG 12 3.653 -14.193 3.376 105 H ALA 13 HN ALA 13 -0.331 -6.281 4.246 106 HA ALA 13 HA ALA 13 -0.843 -4.648 6.519 107 HB1 ALA 13 HB1 ALA 13 0.436 -3.894 3.896 108 HB2 ALA 13 HB2 ALA 13 1.273 -4.565 5.295 109 HB3 ALA 13 HB3 ALA 13 0.518 -2.974 5.398 110 H LEU 14 HN LEU 14 -1.904 -4.475 3.140 111 HA LEU 14 HA LEU 14 -3.348 -2.063 3.456 112 HB2 LEU 14 HB2 LEU 14 -3.613 -4.166 1.316 113 HB3 LEU 14 HB1 LEU 14 -4.389 -2.601 1.270 114 HG LEU 14 HG LEU 14 -1.426 -3.152 1.150 115 HD11 LEU 14 HD11 LEU 14 -2.615 -3.627 -0.904 116 HD12 LEU 14 HD12 LEU 14 -1.610 -2.191 -1.083 117 HD13 LEU 14 HD13 LEU 14 -3.352 -2.026 -0.863 118 HD21 LEU 14 HD21 LEU 14 -2.884 -0.507 1.135 119 HD22 LEU 14 HD22 LEU 14 -1.157 -0.736 0.843 120 HD23 LEU 14 HD23 LEU 14 -1.848 -1.126 2.420 121 H VAL 15 HN VAL 15 -4.274 -5.373 3.963 122 HA VAL 15 HA VAL 15 -7.053 -4.967 3.904 123 HB VAL 15 HB VAL 15 -5.850 -7.188 3.717 124 HG11 VAL 15 HG11 VAL 15 -5.434 -8.449 5.749 125 HG12 VAL 15 HG12 VAL 15 -5.769 -6.973 6.674 126 HG13 VAL 15 HG13 VAL 15 -4.399 -7.023 5.564 127 HG21 VAL 15 HG21 VAL 15 -8.147 -7.068 5.650 128 HG22 VAL 15 HG22 VAL 15 -7.533 -8.506 4.823 129 HG23 VAL 15 HG23 VAL 15 -8.241 -7.188 3.877 130 H GLU 16 HN GLU 16 -4.766 -3.960 6.151 131 HA GLU 16 HA GLU 16 -6.366 -4.071 8.524 132 HB2 GLU 16 HB2 GLU 16 -3.962 -2.351 7.952 133 HB3 GLU 16 HB1 GLU 16 -4.652 -2.693 9.526 134 HG2 GLU 16 HG2 GLU 16 -4.020 -5.026 9.304 135 HG3 GLU 16 HG1 GLU 16 -3.358 -4.695 7.700 136 H SER 17 HN SER 17 -5.456 -1.474 6.232 137 HA SER 17 HA SER 17 -6.882 0.441 7.815 138 HB2 SER 17 HB2 SER 17 -5.559 0.939 5.133 139 HB3 SER 17 HB1 SER 17 -5.980 2.102 6.382 140 HG SER 17 HG SER 17 -3.745 1.232 6.185 141 H ALA 18 HN ALA 18 -7.304 -0.806 4.457 142 HA ALA 18 HA ALA 18 -9.872 0.496 4.394 143 HB1 ALA 18 HB1 ALA 18 -8.700 -1.400 2.374 144 HB2 ALA 18 HB2 ALA 18 -8.558 0.362 2.323 145 HB3 ALA 18 HB3 ALA 18 -10.141 -0.408 2.163 146 H GLY 19 HN GLY 19 -10.567 -0.496 6.237 147 HA2 GLY 19 HA2 GLY 19 -12.422 -2.510 5.852 148 HA3 GLY 19 HA1 GLY 19 -10.985 -3.226 6.586 149 H GLU 20 HN GLU 20 -12.850 -0.277 6.905 150 HA GLU 20 HA GLU 20 -13.077 -0.744 9.754 151 HB2 GLU 20 HB2 GLU 20 -11.020 0.564 9.512 152 HB3 GLU 20 HB1 GLU 20 -11.892 1.783 8.593 153 HG2 GLU 20 HG2 GLU 20 -13.187 2.371 10.525 154 HG3 GLU 20 HG1 GLU 20 -12.466 1.055 11.450 155 H THR 21 HN THR 21 -15.148 -1.035 9.585 156 HA THR 21 HA THR 21 -17.352 -0.710 9.421 157 HB THR 21 HB THR 21 -16.856 2.287 9.441 158 HG1 THR 21 HG1 THR 21 -15.884 2.010 11.279 159 HG21 THR 21 HG21 THR 21 -18.956 0.531 10.752 160 HG22 THR 21 HG22 THR 21 -19.201 1.504 9.301 161 HG23 THR 21 HG23 THR 21 -18.879 2.292 10.844 162 H ASP 22 HN ASP 22 -15.739 -0.822 6.993 163 HA ASP 22 HA ASP 22 -17.694 0.361 5.127 164 HB2 ASP 22 HB2 ASP 22 -15.918 0.521 3.409 165 HB3 ASP 22 HB1 ASP 22 -15.540 1.495 4.821 166 H GLY 23 HN GLY 23 -16.475 -2.413 6.416 167 HA2 GLY 23 HA2 GLY 23 -17.429 -4.509 5.929 168 HA3 GLY 23 HA1 GLY 23 -17.696 -3.978 4.270 169 H THR 24 HN THR 24 -14.759 -2.865 4.977 170 HA THR 24 HA THR 24 -12.650 -3.405 4.630 171 HB THR 24 HB THR 24 -13.433 -6.342 4.744 172 HG1 THR 24 HG1 THR 24 -13.704 -4.537 6.587 173 HG21 THR 24 HG21 THR 24 -11.089 -6.645 5.472 174 HG22 THR 24 HG22 THR 24 -10.816 -4.909 5.308 175 HG23 THR 24 HG23 THR 24 -11.162 -5.888 3.880 176 H ASP 25 HN ASP 25 -13.361 -2.421 2.668 177 HA ASP 25 HA ASP 25 -14.027 -3.962 0.401 178 HB2 ASP 25 HB2 ASP 25 -14.510 -1.530 0.586 179 HB3 ASP 25 HB1 ASP 25 -12.791 -1.201 0.365 180 H LEU 26 HN LEU 26 -10.942 -3.199 1.783 181 HA LEU 26 HA LEU 26 -9.496 -4.085 -0.568 182 HB2 LEU 26 HB2 LEU 26 -8.610 -2.418 1.178 183 HB3 LEU 26 HB1 LEU 26 -8.394 -3.791 2.238 184 HG LEU 26 HG LEU 26 -6.286 -3.066 1.214 185 HD11 LEU 26 HD11 LEU 26 -6.431 -5.412 1.770 186 HD12 LEU 26 HD12 LEU 26 -5.459 -5.172 0.315 187 HD13 LEU 26 HD13 LEU 26 -7.117 -5.764 0.183 188 HD21 LEU 26 HD21 LEU 26 -5.891 -3.331 -1.176 189 HD22 LEU 26 HD22 LEU 26 -7.148 -2.141 -0.835 190 HD23 LEU 26 HD23 LEU 26 -7.587 -3.752 -1.403 191 H SER 27 HN SER 27 -10.285 -6.076 -0.962 192 HA SER 27 HA SER 27 -9.076 -8.192 0.543 193 HB2 SER 27 HB2 SER 27 -12.070 -8.078 0.084 194 HB3 SER 27 HB1 SER 27 -11.202 -9.496 0.676 195 HG SER 27 HG SER 27 -10.662 -7.212 2.061 196 H GLY 28 HN GLY 28 -8.753 -9.972 -0.754 197 HA2 GLY 28 HA2 GLY 28 -8.906 -11.270 -2.713 198 HA3 GLY 28 HA1 GLY 28 -9.822 -9.975 -3.468 199 H ASP 29 HN ASP 29 -8.830 -8.741 -4.874 200 HA ASP 29 HA ASP 29 -5.886 -8.755 -4.957 201 HB2 ASP 29 HB2 ASP 29 -7.166 -10.056 -6.815 202 HB3 ASP 29 HB1 ASP 29 -7.632 -8.464 -7.400 203 H PHE 30 HN PHE 30 -5.052 -6.804 -5.943 204 HA PHE 30 HA PHE 30 -6.767 -4.479 -6.123 205 HB2 PHE 30 HB2 PHE 30 -5.585 -3.244 -4.252 206 HB3 PHE 30 HB1 PHE 30 -6.596 -4.578 -3.747 207 HD1 PHE 30 HD2 PHE 30 -3.081 -3.734 -4.484 208 HD2 PHE 30 HD1 PHE 30 -5.749 -6.288 -2.397 209 HE1 PHE 30 HE2 PHE 30 -1.204 -4.691 -3.260 210 HE2 PHE 30 HE1 PHE 30 -3.868 -7.253 -1.158 211 HZ PHE 30 HZ PHE 30 -1.628 -6.593 -1.638 212 H LEU 31 HN LEU 31 -4.106 -6.136 -7.137 213 HA LEU 31 HA LEU 31 -1.987 -4.340 -7.092 214 HB2 LEU 31 HB2 LEU 31 -1.611 -6.628 -7.415 215 HB3 LEU 31 HB1 LEU 31 -2.552 -6.679 -8.907 216 HG LEU 31 HG LEU 31 -0.784 -5.253 -9.918 217 HD11 LEU 31 HD11 LEU 31 0.666 -5.826 -7.330 218 HD12 LEU 31 HD12 LEU 31 0.107 -4.244 -7.878 219 HD13 LEU 31 HD13 LEU 31 1.383 -5.084 -8.762 220 HD21 LEU 31 HD21 LEU 31 0.108 -7.883 -8.749 221 HD22 LEU 31 HD22 LEU 31 0.860 -7.068 -10.120 222 HD23 LEU 31 HD23 LEU 31 -0.798 -7.656 -10.245 223 H ASP 32 HN ASP 32 -4.355 -4.849 -9.674 224 HA ASP 32 HA ASP 32 -3.176 -2.627 -11.191 225 HB2 ASP 32 HB2 ASP 32 -3.652 -4.771 -12.351 226 HB3 ASP 32 HB1 ASP 32 -5.351 -4.604 -11.941 227 H LEU 33 HN LEU 33 -5.339 -3.022 -8.827 228 HA LEU 33 HA LEU 33 -7.445 -1.321 -9.830 229 HB2 LEU 33 HB2 LEU 33 -7.025 -2.647 -7.151 230 HB3 LEU 33 HB1 LEU 33 -8.332 -1.531 -7.455 231 HG LEU 33 HG LEU 33 -9.189 -3.131 -9.198 232 HD11 LEU 33 HD11 LEU 33 -7.146 -4.999 -8.018 233 HD12 LEU 33 HD12 LEU 33 -7.150 -4.360 -9.660 234 HD13 LEU 33 HD13 LEU 33 -8.440 -5.439 -9.128 235 HD21 LEU 33 HD21 LEU 33 -8.945 -4.163 -6.386 236 HD22 LEU 33 HD22 LEU 33 -10.129 -4.693 -7.580 237 HD23 LEU 33 HD23 LEU 33 -10.154 -3.031 -6.990 238 H ARG 34 HN ARG 34 -7.852 0.685 -9.114 239 HA ARG 34 HA ARG 34 -5.558 2.205 -8.298 240 HB2 ARG 34 HB2 ARG 34 -8.431 3.014 -8.821 241 HB3 ARG 34 HB1 ARG 34 -7.159 4.145 -8.409 242 HG2 ARG 34 HG2 ARG 34 -7.457 4.273 -10.783 243 HG3 ARG 34 HG1 ARG 34 -5.957 3.408 -10.446 244 HD2 ARG 34 HD2 ARG 34 -6.889 1.318 -11.041 245 HD3 ARG 34 HD1 ARG 34 -8.525 1.972 -11.062 246 HE ARG 34 HE ARG 34 -7.522 3.427 -12.952 247 HH11 ARG 34 HH11 ARG 34 -6.711 -0.024 -12.459 248 HH12 ARG 34 HH12 ARG 34 -6.580 -0.323 -14.130 249 HH21 ARG 34 HH21 ARG 34 -7.304 2.938 -15.234 250 HH22 ARG 34 HH22 ARG 34 -6.925 1.370 -15.743 251 H PHE 35 HN PHE 35 -5.192 3.146 -6.312 252 HA PHE 35 HA PHE 35 -6.100 1.987 -3.974 253 HB2 PHE 35 HB2 PHE 35 -4.895 4.698 -4.411 254 HB3 PHE 35 HB1 PHE 35 -5.417 4.193 -2.811 255 HD1 PHE 35 HD1 PHE 35 -4.493 1.890 -2.010 256 HD2 PHE 35 HD2 PHE 35 -2.739 4.250 -5.076 257 HE1 PHE 35 HE1 PHE 35 -2.339 0.773 -1.623 258 HE2 PHE 35 HE2 PHE 35 -0.579 3.133 -4.703 259 HZ PHE 35 HZ PHE 35 -0.375 1.395 -2.973 260 H GLU 36 HN GLU 36 -7.361 4.930 -5.401 261 HA GLU 36 HA GLU 36 -9.261 5.567 -3.490 262 HB2 GLU 36 HB2 GLU 36 -10.420 6.749 -5.364 263 HB3 GLU 36 HB1 GLU 36 -8.725 7.153 -5.143 264 HG2 GLU 36 HG2 GLU 36 -8.109 5.775 -7.015 265 HG3 GLU 36 HG1 GLU 36 -9.774 5.218 -7.188 266 H ASP 37 HN ASP 37 -9.339 3.090 -5.868 267 HA ASP 37 HA ASP 37 -12.196 2.692 -5.646 268 HB2 ASP 37 HB2 ASP 37 -11.231 2.543 -7.854 269 HB3 ASP 37 HB1 ASP 37 -10.045 1.372 -7.310 270 H ILE 38 HN ILE 38 -9.283 1.529 -4.241 271 HA ILE 38 HA ILE 38 -10.673 -0.817 -3.186 272 HB ILE 38 HB ILE 38 -8.461 -1.652 -2.424 273 HG12 ILE 38 HG12 ILE 38 -7.369 0.708 -3.982 274 HG13 ILE 38 HG11 ILE 38 -7.300 0.513 -2.239 275 HG21 ILE 38 HG21 ILE 38 -7.650 -2.263 -4.646 276 HG22 ILE 38 HG22 ILE 38 -8.697 -1.022 -5.346 277 HG23 ILE 38 HG23 ILE 38 -9.405 -2.399 -4.501 278 HD11 ILE 38 HD11 ILE 38 -5.166 0.006 -3.285 279 HD12 ILE 38 HD12 ILE 38 -5.931 -1.244 -4.269 280 HD13 ILE 38 HD13 ILE 38 -5.850 -1.427 -2.516 281 H GLY 39 HN GLY 39 -11.052 1.901 -2.243 282 HA2 GLY 39 HA2 GLY 39 -11.901 2.483 -0.120 283 HA3 GLY 39 HA1 GLY 39 -10.955 1.192 0.583 284 H TYR 40 HN TYR 40 -8.942 3.046 -1.371 285 HA TYR 40 HA TYR 40 -8.077 4.499 1.011 286 HB2 TYR 40 HB2 TYR 40 -6.511 3.529 -1.372 287 HB3 TYR 40 HB1 TYR 40 -5.863 4.724 -0.249 288 HD1 TYR 40 HD1 TYR 40 -7.151 1.304 -0.531 289 HD2 TYR 40 HD2 TYR 40 -4.961 4.044 1.848 290 HE1 TYR 40 HE1 TYR 40 -6.391 -0.544 0.871 291 HE2 TYR 40 HE2 TYR 40 -4.194 2.195 3.273 292 HH TYR 40 HH TYR 40 -4.685 -0.044 3.804 293 H ASP 41 HN ASP 41 -8.801 6.445 1.084 294 HA ASP 41 HA ASP 41 -9.497 7.899 -1.315 295 HB2 ASP 41 HB2 ASP 41 -10.852 7.941 0.804 296 HB3 ASP 41 HB1 ASP 41 -9.529 8.794 1.568 297 H SER 42 HN SER 42 -7.367 8.312 1.381 298 HA SER 42 HA SER 42 -5.049 9.040 0.016 299 HB2 SER 42 HB2 SER 42 -4.904 11.479 0.420 300 HB3 SER 42 HB1 SER 42 -6.260 11.089 -0.648 301 H LEU 43 HN LEU 43 -6.891 9.988 2.876 302 HA LEU 43 HA LEU 43 -4.735 10.249 4.637 303 HB2 LEU 43 HB2 LEU 43 -6.981 11.060 5.138 304 HB3 LEU 43 HB1 LEU 43 -7.553 9.410 5.286 305 HG LEU 43 HG LEU 43 -6.071 9.079 7.230 306 HD11 LEU 43 HD11 LEU 43 -5.476 12.019 6.922 307 HD12 LEU 43 HD12 LEU 43 -4.337 10.696 6.673 308 HD13 LEU 43 HD13 LEU 43 -4.994 11.001 8.278 309 HD21 LEU 43 HD21 LEU 43 -8.375 9.755 7.541 310 HD22 LEU 43 HD22 LEU 43 -7.896 11.452 7.409 311 HD23 LEU 43 HD23 LEU 43 -7.334 10.477 8.774 312 H ALA 44 HN ALA 44 -6.768 7.412 4.000 313 HA ALA 44 HA ALA 44 -5.485 5.691 5.827 314 HB1 ALA 44 HB1 ALA 44 -7.671 5.202 4.818 315 HB2 ALA 44 HB2 ALA 44 -6.532 3.874 4.579 316 HB3 ALA 44 HB3 ALA 44 -6.894 4.975 3.251 317 H LEU 45 HN LEU 45 -4.689 6.748 2.655 318 HA LEU 45 HA LEU 45 -2.835 4.678 2.062 319 HB2 LEU 45 HB2 LEU 45 -3.919 5.952 0.277 320 HB3 LEU 45 HB1 LEU 45 -3.161 7.422 0.843 321 HG LEU 45 HG LEU 45 -0.960 6.547 0.214 322 HD11 LEU 45 HD11 LEU 45 -1.385 4.172 0.540 323 HD12 LEU 45 HD12 LEU 45 -0.774 4.485 -1.088 324 HD13 LEU 45 HD13 LEU 45 -2.490 4.169 -0.836 325 HD21 LEU 45 HD21 LEU 45 -1.280 6.614 -2.222 326 HD22 LEU 45 HD22 LEU 45 -2.223 7.855 -1.400 327 HD23 LEU 45 HD23 LEU 45 -3.018 6.400 -1.991 328 H MET 46 HN MET 46 -2.504 8.042 3.211 329 HA MET 46 HA MET 46 0.321 7.865 3.428 330 HB2 MET 46 HB2 MET 46 0.285 9.947 4.684 331 HB3 MET 46 HB1 MET 46 -0.838 10.067 3.339 332 HG2 MET 46 HG2 MET 46 -2.706 9.688 4.862 333 HG3 MET 46 HG1 MET 46 -1.581 9.521 6.203 334 HE1 MET 46 HE1 MET 46 -0.083 11.533 7.147 335 HE2 MET 46 HE2 MET 46 -0.094 13.153 6.448 336 HE3 MET 46 HE3 MET 46 0.568 11.799 5.530 337 H GLU 47 HN GLU 47 -2.280 7.074 5.640 338 HA GLU 47 HA GLU 47 -0.742 6.640 7.943 339 HB2 GLU 47 HB2 GLU 47 -3.285 5.389 6.965 340 HB3 GLU 47 HB1 GLU 47 -2.668 5.039 8.555 341 HG2 GLU 47 HG2 GLU 47 -2.784 7.556 8.972 342 HG3 GLU 47 HG1 GLU 47 -3.661 7.658 7.446 343 H THR 48 HN THR 48 -1.871 4.339 5.501 344 HA THR 48 HA THR 48 -0.488 2.132 6.509 345 HB THR 48 HB THR 48 -1.293 2.570 3.629 346 HG1 THR 48 HG1 THR 48 -3.126 2.902 4.784 347 HG21 THR 48 HG21 THR 48 -1.579 0.132 3.679 348 HG22 THR 48 HG22 THR 48 -1.000 0.093 5.344 349 HG23 THR 48 HG23 THR 48 0.088 0.582 4.040 350 H ALA 49 HN ALA 49 0.474 4.572 4.106 351 HA ALA 49 HA ALA 49 2.823 3.421 3.187 352 HB1 ALA 49 HB1 ALA 49 1.827 5.443 2.214 353 HB2 ALA 49 HB2 ALA 49 3.532 5.691 2.602 354 HB3 ALA 49 HB3 ALA 49 2.283 6.359 3.651 355 H ALA 50 HN ALA 50 2.405 5.665 5.921 356 HA ALA 50 HA ALA 50 5.098 5.647 6.760 357 HB1 ALA 50 HB1 ALA 50 2.610 6.191 8.372 358 HB2 ALA 50 HB2 ALA 50 3.497 7.373 7.409 359 HB3 ALA 50 HB3 ALA 50 4.257 6.638 8.820 360 H ARG 51 HN ARG 51 2.337 3.674 7.566 361 HA ARG 51 HA ARG 51 3.480 2.243 9.693 362 HB2 ARG 51 HB2 ARG 51 1.060 2.336 9.080 363 HB3 ARG 51 HB1 ARG 51 1.416 1.268 7.731 364 HG2 ARG 51 HG2 ARG 51 2.189 -0.438 9.318 365 HG3 ARG 51 HG1 ARG 51 1.745 0.637 10.649 366 HD2 ARG 51 HD2 ARG 51 -0.077 -0.542 8.568 367 HD3 ARG 51 HD1 ARG 51 -0.042 -0.922 10.292 368 HE ARG 51 HE ARG 51 -0.512 1.643 10.412 369 HH11 ARG 51 HH11 ARG 51 -2.162 -0.933 8.655 370 HH12 ARG 51 HH12 ARG 51 -3.455 0.079 8.137 371 HH21 ARG 51 HH21 ARG 51 -2.286 2.982 9.780 372 HH22 ARG 51 HH22 ARG 51 -3.589 2.370 8.865 373 H LEU 52 HN LEU 52 3.366 1.644 6.198 374 HA LEU 52 HA LEU 52 4.664 -0.844 6.142 375 HB2 LEU 52 HB2 LEU 52 4.764 1.373 4.095 376 HB3 LEU 52 HB1 LEU 52 5.303 -0.269 3.815 377 HG LEU 52 HG LEU 52 2.466 0.578 4.391 378 HD11 LEU 52 HD11 LEU 52 3.767 -0.353 1.845 379 HD12 LEU 52 HD12 LEU 52 3.234 1.289 2.203 380 HD13 LEU 52 HD13 LEU 52 2.050 -0.013 2.069 381 HD21 LEU 52 HD21 LEU 52 1.893 -1.727 3.822 382 HD22 LEU 52 HD22 LEU 52 2.950 -1.655 5.233 383 HD23 LEU 52 HD23 LEU 52 3.605 -2.115 3.661 384 H GLU 53 HN GLU 53 5.918 2.440 6.069 385 HA GLU 53 HA GLU 53 8.619 1.861 5.751 386 HB2 GLU 53 HB2 GLU 53 7.353 4.133 7.292 387 HB3 GLU 53 HB1 GLU 53 9.045 4.059 6.822 388 HG2 GLU 53 HG2 GLU 53 8.333 3.991 4.457 389 HG3 GLU 53 HG1 GLU 53 6.666 4.203 4.986 390 H SER 54 HN SER 54 6.811 2.379 8.728 391 HA SER 54 HA SER 54 8.880 1.790 10.517 392 HB2 SER 54 HB2 SER 54 6.813 2.994 11.119 393 HB3 SER 54 HB1 SER 54 5.880 1.522 10.873 394 HG SER 54 HG SER 54 7.807 2.114 12.834 395 H ARG 55 HN ARG 55 6.283 -0.280 9.265 396 HA ARG 55 HA ARG 55 6.808 -2.580 10.786 397 HB2 ARG 55 HB2 ARG 55 4.686 -2.068 9.705 398 HB3 ARG 55 HB1 ARG 55 5.428 -2.270 8.135 399 HG2 ARG 55 HG2 ARG 55 5.765 -4.659 8.617 400 HG3 ARG 55 HG1 ARG 55 4.981 -4.436 10.192 401 HD2 ARG 55 HD2 ARG 55 2.992 -3.544 9.020 402 HD3 ARG 55 HD1 ARG 55 3.769 -3.909 7.490 403 HE ARG 55 HE ARG 55 3.728 -6.308 8.381 404 HH11 ARG 55 HH11 ARG 55 1.366 -3.890 9.376 405 HH12 ARG 55 HH12 ARG 55 0.002 -4.883 9.344 406 HH21 ARG 55 HH21 ARG 55 1.860 -7.793 8.294 407 HH22 ARG 55 HH22 ARG 55 0.304 -7.201 8.705 408 H TYR 56 HN TYR 56 7.665 -1.857 7.381 409 HA TYR 56 HA TYR 56 9.086 -4.394 7.358 410 HB2 TYR 56 HB2 TYR 56 8.336 -2.572 5.078 411 HB3 TYR 56 HB1 TYR 56 9.210 -4.093 4.901 412 HD1 TYR 56 HD2 TYR 56 8.021 -6.209 5.883 413 HD2 TYR 56 HD1 TYR 56 6.017 -2.569 4.968 414 HE1 TYR 56 HE2 TYR 56 5.875 -7.414 5.786 415 HE2 TYR 56 HE1 TYR 56 3.869 -3.763 4.873 416 HH TYR 56 HH TYR 56 3.396 -6.869 6.054 417 H GLY 57 HN GLY 57 9.809 -1.093 7.672 418 HA2 GLY 57 HA2 GLY 57 11.922 -0.239 8.126 419 HA3 GLY 57 HA1 GLY 57 12.635 -1.743 7.549 420 H VAL 58 HN VAL 58 10.312 0.287 5.903 421 HA VAL 58 HA VAL 58 12.313 0.692 3.821 422 HB VAL 58 HB VAL 58 10.498 0.958 2.165 423 HG11 VAL 58 HG11 VAL 58 11.515 -1.216 2.432 424 HG12 VAL 58 HG12 VAL 58 9.802 -1.382 2.049 425 HG13 VAL 58 HG13 VAL 58 10.363 -1.623 3.704 426 HG21 VAL 58 HG21 VAL 58 8.720 1.732 3.641 427 HG22 VAL 58 HG22 VAL 58 8.660 0.155 4.420 428 HG23 VAL 58 HG23 VAL 58 8.197 0.319 2.726 429 H SER 59 HN SER 59 11.681 2.692 2.412 430 HA SER 59 HA SER 59 10.884 4.902 4.144 431 HB2 SER 59 HB2 SER 59 13.242 4.929 2.234 432 HB3 SER 59 HB1 SER 59 12.761 6.207 3.353 433 HG SER 59 HG SER 59 13.826 3.664 3.897 434 H ILE 60 HN ILE 60 9.191 5.767 3.172 435 HA ILE 60 HA ILE 60 8.969 5.585 0.248 436 HB ILE 60 HB ILE 60 6.747 6.028 2.272 437 HG12 ILE 60 HG12 ILE 60 7.417 3.560 0.638 438 HG13 ILE 60 HG11 ILE 60 7.687 3.738 2.365 439 HG21 ILE 60 HG21 ILE 60 6.631 5.566 -0.718 440 HG22 ILE 60 HG22 ILE 60 6.296 7.083 0.110 441 HG23 ILE 60 HG23 ILE 60 5.237 5.693 0.359 442 HD11 ILE 60 HD11 ILE 60 5.015 3.764 0.979 443 HD12 ILE 60 HD12 ILE 60 5.275 3.942 2.713 444 HD13 ILE 60 HD13 ILE 60 5.695 2.429 1.908 445 HA PRO 61 HA PRO 61 9.746 10.026 0.548 446 HB2 PRO 61 HB2 PRO 61 9.365 9.799 -2.390 447 HB3 PRO 61 HB1 PRO 61 10.712 10.501 -1.487 448 HG2 PRO 61 HG2 PRO 61 10.985 8.162 -2.730 449 HG3 PRO 61 HG1 PRO 61 11.726 8.437 -1.141 450 HD2 PRO 61 HD2 PRO 61 9.209 6.964 -1.827 451 HD3 PRO 61 HD1 PRO 61 10.492 6.519 -0.680 452 H ASP 62 HN ASP 62 8.392 11.714 0.525 453 HA ASP 62 HA ASP 62 5.669 11.340 0.849 454 HB2 ASP 62 HB2 ASP 62 7.119 13.929 0.252 455 HB3 ASP 62 HB1 ASP 62 5.465 13.821 0.820 456 H ASP 63 HN ASP 63 7.326 12.724 -1.987 457 HA ASP 63 HA ASP 63 4.814 13.215 -3.286 458 HB2 ASP 63 HB2 ASP 63 6.009 13.965 -5.236 459 HB3 ASP 63 HB1 ASP 63 6.848 14.582 -3.826 460 H VAL 64 HN VAL 64 6.844 10.504 -3.064 461 HA VAL 64 HA VAL 64 5.913 9.213 -5.454 462 HB VAL 64 HB VAL 64 7.302 8.026 -3.019 463 HG11 VAL 64 HG11 VAL 64 6.086 6.319 -4.286 464 HG12 VAL 64 HG12 VAL 64 7.828 6.121 -4.476 465 HG13 VAL 64 HG13 VAL 64 6.878 6.849 -5.772 466 HG21 VAL 64 HG21 VAL 64 8.664 9.690 -4.154 467 HG22 VAL 64 HG22 VAL 64 8.407 8.872 -5.694 468 HG23 VAL 64 HG23 VAL 64 9.314 8.069 -4.411 469 H ALA 65 HN ALA 65 5.173 9.077 -2.011 470 HA ALA 65 HA ALA 65 3.253 7.042 -2.083 471 HB1 ALA 65 HB1 ALA 65 2.495 7.898 0.067 472 HB2 ALA 65 HB2 ALA 65 3.365 9.404 -0.210 473 HB3 ALA 65 HB3 ALA 65 4.257 7.897 -0.011 474 H GLY 66 HN GLY 66 3.032 10.380 -2.997 475 HA2 GLY 66 HA2 GLY 66 0.119 10.204 -3.191 476 HA3 GLY 66 HA1 GLY 66 1.080 11.660 -3.386 477 H ARG 67 HN ARG 67 2.676 9.431 -5.187 478 HA ARG 67 HA ARG 67 1.222 10.311 -7.589 479 HB2 ARG 67 HB2 ARG 67 3.188 9.970 -8.873 480 HB3 ARG 67 HB1 ARG 67 3.718 10.767 -7.401 481 HG2 ARG 67 HG2 ARG 67 4.505 8.643 -6.512 482 HG3 ARG 67 HG1 ARG 67 3.926 7.813 -7.954 483 HD2 ARG 67 HD2 ARG 67 5.435 9.247 -9.307 484 HD3 ARG 67 HD1 ARG 67 6.072 9.917 -7.806 485 HE ARG 67 HE ARG 67 6.205 7.022 -8.184 486 HH11 ARG 67 HH11 ARG 67 7.907 10.121 -8.061 487 HH12 ARG 67 HH12 ARG 67 9.451 9.402 -8.112 488 HH21 ARG 67 HH21 ARG 67 8.297 6.081 -8.213 489 HH22 ARG 67 HH22 ARG 67 9.684 7.107 -8.151 490 H VAL 68 HN VAL 68 1.725 7.639 -5.623 491 HA VAL 68 HA VAL 68 1.374 5.721 -7.736 492 HB VAL 68 HB VAL 68 1.490 3.986 -5.939 493 HG11 VAL 68 HG11 VAL 68 3.726 6.002 -5.896 494 HG12 VAL 68 HG12 VAL 68 3.512 4.697 -7.061 495 HG13 VAL 68 HG13 VAL 68 3.848 4.323 -5.370 496 HG21 VAL 68 HG21 VAL 68 1.968 6.321 -4.069 497 HG22 VAL 68 HG22 VAL 68 2.184 4.617 -3.670 498 HG23 VAL 68 HG23 VAL 68 0.573 5.236 -4.042 499 H ASP 69 HN ASP 69 -0.501 5.673 -8.599 500 HA ASP 69 HA ASP 69 -2.897 5.960 -6.976 501 HB2 ASP 69 HB2 ASP 69 -4.146 6.099 -9.062 502 HB3 ASP 69 HB1 ASP 69 -2.769 7.184 -9.143 503 H THR 70 HN THR 70 -0.940 3.507 -8.298 504 HA THR 70 HA THR 70 -3.006 1.564 -7.591 505 HB THR 70 HB THR 70 -1.956 0.027 -9.297 506 HG1 THR 70 HG1 THR 70 -0.570 2.413 -9.887 507 HG21 THR 70 HG21 THR 70 -3.194 2.558 -10.404 508 HG22 THR 70 HG22 THR 70 -4.073 1.153 -9.804 509 HG23 THR 70 HG23 THR 70 -3.081 1.018 -11.257 510 HA PRO 71 HA PRO 71 -0.094 0.034 -4.648 511 HB2 PRO 71 HB2 PRO 71 -1.127 -2.637 -5.460 512 HB3 PRO 71 HB1 PRO 71 -0.996 -1.924 -3.845 513 HG2 PRO 71 HG2 PRO 71 -3.349 -2.061 -5.009 514 HG3 PRO 71 HG1 PRO 71 -2.876 -0.579 -4.153 515 HD2 PRO 71 HD2 PRO 71 -2.893 -1.140 -7.094 516 HD3 PRO 71 HD1 PRO 71 -3.430 0.314 -6.223 517 H ARG 72 HN ARG 72 -0.201 -1.235 -7.881 518 HA ARG 72 HA ARG 72 1.962 -2.889 -8.038 519 HB2 ARG 72 HB2 ARG 72 0.550 -2.455 -9.952 520 HB3 ARG 72 HB1 ARG 72 1.081 -0.781 -10.019 521 HG2 ARG 72 HG2 ARG 72 3.357 -1.559 -10.593 522 HG3 ARG 72 HG1 ARG 72 2.760 -3.223 -10.595 523 HD2 ARG 72 HD2 ARG 72 1.767 -0.989 -12.349 524 HD3 ARG 72 HD1 ARG 72 2.858 -2.271 -12.860 525 HE ARG 72 HE ARG 72 1.041 -3.837 -12.239 526 HH11 ARG 72 HH11 ARG 72 0.220 -0.523 -13.292 527 HH12 ARG 72 HH12 ARG 72 -1.321 -0.959 -13.868 528 HH21 ARG 72 HH21 ARG 72 -1.110 -4.403 -13.078 529 HH22 ARG 72 HH22 ARG 72 -2.083 -3.186 -13.737 530 H GLU 73 HN GLU 73 2.003 0.665 -8.486 531 HA GLU 73 HA GLU 73 4.820 0.871 -8.649 532 HB2 GLU 73 HB2 GLU 73 2.651 2.891 -8.248 533 HB3 GLU 73 HB1 GLU 73 4.348 3.354 -8.218 534 HG2 GLU 73 HG2 GLU 73 4.540 2.344 -10.496 535 HG3 GLU 73 HG1 GLU 73 2.784 2.165 -10.481 536 H LEU 74 HN LEU 74 2.574 1.089 -6.022 537 HA LEU 74 HA LEU 74 4.378 2.173 -4.139 538 HB2 LEU 74 HB2 LEU 74 1.872 2.204 -3.963 539 HB3 LEU 74 HB1 LEU 74 1.896 0.488 -3.670 540 HG LEU 74 HG LEU 74 1.499 1.935 -1.639 541 HD11 LEU 74 HD11 LEU 74 3.914 0.163 -1.513 542 HD12 LEU 74 HD12 LEU 74 2.231 -0.347 -1.388 543 HD13 LEU 74 HD13 LEU 74 2.933 0.691 -0.144 544 HD21 LEU 74 HD21 LEU 74 3.426 3.048 -0.616 545 HD22 LEU 74 HD22 LEU 74 3.033 3.749 -2.186 546 HD23 LEU 74 HD23 LEU 74 4.404 2.654 -2.031 547 H LEU 75 HN LEU 75 3.336 -1.132 -4.856 548 HA LEU 75 HA LEU 75 4.853 -2.625 -3.074 549 HB2 LEU 75 HB2 LEU 75 3.069 -3.493 -4.528 550 HB3 LEU 75 HB1 LEU 75 4.076 -3.228 -5.932 551 HG LEU 75 HG LEU 75 5.652 -4.940 -5.059 552 HD11 LEU 75 HD11 LEU 75 3.480 -5.391 -3.029 553 HD12 LEU 75 HD12 LEU 75 5.098 -4.769 -2.707 554 HD13 LEU 75 HD13 LEU 75 4.888 -6.424 -3.281 555 HD21 LEU 75 HD21 LEU 75 4.229 -6.844 -5.617 556 HD22 LEU 75 HD22 LEU 75 3.964 -5.496 -6.723 557 HD23 LEU 75 HD23 LEU 75 2.798 -5.829 -5.443 558 H ASP 76 HN ASP 76 5.591 -1.480 -6.298 559 HA ASP 76 HA ASP 76 8.164 -2.468 -6.653 560 HB2 ASP 76 HB2 ASP 76 6.928 -1.495 -8.469 561 HB3 ASP 76 HB1 ASP 76 6.874 0.065 -7.657 562 H LEU 77 HN LEU 77 7.130 0.632 -5.266 563 HA LEU 77 HA LEU 77 9.695 1.670 -4.789 564 HB2 LEU 77 HB2 LEU 77 7.564 2.985 -4.882 565 HB3 LEU 77 HB1 LEU 77 7.092 2.287 -3.356 566 HG LEU 77 HG LEU 77 7.881 4.662 -3.260 567 HD11 LEU 77 HD11 LEU 77 9.273 4.453 -1.274 568 HD12 LEU 77 HD12 LEU 77 9.505 2.739 -1.617 569 HD13 LEU 77 HD13 LEU 77 7.896 3.351 -1.231 570 HD21 LEU 77 HD21 LEU 77 10.289 5.112 -3.369 571 HD22 LEU 77 HD22 LEU 77 9.638 4.555 -4.910 572 HD23 LEU 77 HD23 LEU 77 10.562 3.451 -3.893 573 H ILE 78 HN ILE 78 7.525 -0.272 -2.835 574 HA ILE 78 HA ILE 78 8.993 -0.225 -0.428 575 HB ILE 78 HB ILE 78 7.193 -2.418 -1.502 576 HG12 ILE 78 HG12 ILE 78 6.007 -0.295 -1.315 577 HG13 ILE 78 HG11 ILE 78 5.448 -1.424 -0.088 578 HG21 ILE 78 HG21 ILE 78 8.182 -1.920 1.299 579 HG22 ILE 78 HG22 ILE 78 8.561 -3.306 0.270 580 HG23 ILE 78 HG23 ILE 78 6.912 -3.055 0.858 581 HD11 ILE 78 HD11 ILE 78 5.661 0.818 0.801 582 HD12 ILE 78 HD12 ILE 78 7.362 0.856 0.340 583 HD13 ILE 78 HD13 ILE 78 6.810 -0.272 1.579 584 H ASN 79 HN ASN 79 8.964 -2.556 -3.102 585 HA ASN 79 HA ASN 79 10.902 -4.252 -1.968 586 HB2 ASN 79 HB2 ASN 79 9.860 -4.021 -4.769 587 HB3 ASN 79 HB1 ASN 79 11.218 -5.078 -4.412 588 HD21 ASN 79 HD21 ASN 79 7.813 -4.549 -3.951 589 HD22 ASN 79 HD22 ASN 79 7.480 -6.123 -3.307 590 H GLY 80 HN GLY 80 11.308 -1.431 -3.994 591 HA2 GLY 80 HA2 GLY 80 14.132 -1.861 -4.326 592 HA3 GLY 80 HA1 GLY 80 13.274 -0.332 -4.594 593 H ALA 81 HN ALA 81 12.154 -0.198 -1.986 594 HA ALA 81 HA ALA 81 14.354 0.960 -0.592 595 HB1 ALA 81 HB1 ALA 81 12.108 1.937 -0.534 596 HB2 ALA 81 HB2 ALA 81 12.755 1.596 1.074 597 HB3 ALA 81 HB3 ALA 81 11.534 0.531 0.372 598 H LEU 82 HN LEU 82 12.853 -2.125 -0.532 599 HA LEU 82 HA LEU 82 13.522 -3.028 2.055 600 HB2 LEU 82 HB2 LEU 82 13.191 -4.552 -0.516 601 HB3 LEU 82 HB1 LEU 82 13.503 -5.338 1.014 602 HG LEU 82 HG LEU 82 11.072 -3.666 0.375 603 HD11 LEU 82 HD11 LEU 82 11.425 -6.644 0.665 604 HD12 LEU 82 HD12 LEU 82 11.142 -5.786 -0.846 605 HD13 LEU 82 HD13 LEU 82 9.898 -5.804 0.407 606 HD21 LEU 82 HD21 LEU 82 11.679 -3.588 2.740 607 HD22 LEU 82 HD22 LEU 82 11.757 -5.351 2.782 608 HD23 LEU 82 HD23 LEU 82 10.216 -4.541 2.493 609 H ALA 83 HN ALA 83 15.473 -2.411 -0.638 610 HA ALA 83 HA ALA 83 17.604 -4.151 -0.112 611 HB1 ALA 83 HB1 ALA 83 18.886 -2.727 -1.591 612 HB2 ALA 83 HB2 ALA 83 17.697 -1.439 -1.416 613 HB3 ALA 83 HB3 ALA 83 17.254 -2.924 -2.242 614 H GLU 84 HN GLU 84 16.597 -1.165 1.332 615 HA GLU 84 HA GLU 84 19.079 -0.944 2.856 616 HB2 GLU 84 HB2 GLU 84 16.714 0.934 2.640 617 HB3 GLU 84 HB1 GLU 84 18.074 1.200 3.711 618 HG2 GLU 84 HG2 GLU 84 18.426 2.579 1.849 619 HG3 GLU 84 HG1 GLU 84 19.532 1.229 1.653 620 H ALA 85 HN ALA 85 16.521 -2.811 3.167 621 HA ALA 85 HA ALA 85 15.901 -2.170 5.952 622 HB1 ALA 85 HB1 ALA 85 14.088 -3.798 5.734 623 HB2 ALA 85 HB2 ALA 85 14.626 -4.186 4.098 624 HB3 ALA 85 HB3 ALA 85 13.998 -2.579 4.462 625 H ALA 86 HN ALA 86 16.217 -3.666 7.614 626 HA ALA 86 HA ALA 86 17.987 -5.899 6.939 627 HB1 ALA 86 HB1 ALA 86 19.101 -5.524 9.095 628 HB2 ALA 86 HB2 ALA 86 18.070 -4.122 9.385 629 HB3 ALA 86 HB3 ALA 86 19.234 -4.100 8.060 630 H28 SXH 87 H28B SXH 87 -4.507 12.663 2.518 631 H28A SXH 87 H28A SXH 87 -5.290 14.082 3.218 632 H30 SXH 87 H30C SXH 87 -1.678 14.848 3.270 633 H30A SXH 87 H30A SXH 87 -2.373 13.237 3.441 634 H30B SXH 87 H30B SXH 87 -3.127 14.612 4.259 635 H31 SXH 87 H31A SXH 87 -2.455 12.959 1.058 636 H31A SXH 87 H31C SXH 87 -3.340 14.107 0.049 637 H31B SXH 87 H31B SXH 87 -1.804 14.574 0.777 638 H32 SXH 87 H32A SXH 87 -4.536 16.383 2.689 639 HO33 SXH 87 H33A SXH 87 -3.819 17.010 0.283 640 HN36 SXH 87 H36A SXH 87 -2.861 17.285 3.969 641 H37 SXH 87 H37A SXH 87 -0.397 18.311 2.665 642 H37A SXH 87 H37B SXH 87 -1.523 19.394 3.425 643 H38 SXH 87 H38A SXH 87 0.150 19.101 4.975 644 H38A SXH 87 H38B SXH 87 -1.242 18.173 5.595 645 HN41 SXH 87 H41A SXH 87 0.084 16.561 3.159 646 H42 SXH 87 H42A SXH 87 2.465 15.406 4.166 647 H42A SXH 87 H42B SXH 87 1.079 14.391 4.555 648 H43 SXH 87 H43A SXH 87 1.915 15.259 1.806 649 H43A SXH 87 H43B SXH 87 0.459 14.338 2.206 650 H2 SXH 87 H2A SXH 87 1.618 10.789 1.537 651 H2A SXH 87 H2B SXH 87 2.046 10.863 -0.183 652 H3 SXH 87 H3A SXH 87 -0.065 11.937 -0.663 653 H3A SXH 87 H3B SXH 87 -0.443 12.028 1.055 654 H4 SXH 87 H4B SXH 87 -0.142 9.509 -0.561 655 H4A SXH 87 H4A SXH 87 -0.477 9.583 1.173 656 H5 SXH 87 H5A SXH 87 -2.526 10.917 0.633 657 H5A SXH 87 H5B SXH 87 -2.588 9.260 0.043 658 H6 SXH 87 H6C SXH 87 -3.379 10.850 -1.657 659 H6A SXH 87 H6A SXH 87 -1.872 10.101 -2.189 660 H6B SXH 87 H6B SXH 87 -1.859 11.742 -1.543 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 17.957 -12.843 -4.118 2 H2 MET 1 HT2 MET 1 16.478 -12.003 -3.998 3 H3 MET 1 HT3 MET 1 16.933 -13.093 -2.810 4 HA MET 1 HA MET 1 18.741 -11.792 -2.105 5 HB2 MET 1 HB2 MET 1 19.219 -9.600 -3.023 6 HB3 MET 1 HB1 MET 1 19.253 -10.765 -4.334 7 HG2 MET 1 HG2 MET 1 17.040 -10.033 -5.057 8 HG3 MET 1 HG1 MET 1 16.965 -8.904 -3.708 9 HE1 MET 1 HE1 MET 1 16.369 -7.911 -6.609 10 HE2 MET 1 HE2 MET 1 17.325 -6.429 -6.677 11 HE3 MET 1 HE3 MET 1 16.440 -6.842 -5.207 12 H ALA 2 HN ALA 2 18.325 -10.699 -0.276 13 HA ALA 2 HA ALA 2 17.149 -9.863 1.454 14 HB1 ALA 2 HB1 ALA 2 15.609 -8.361 -0.682 15 HB2 ALA 2 HB2 ALA 2 17.132 -7.836 0.031 16 HB3 ALA 2 HB3 ALA 2 15.686 -7.944 1.032 17 H THR 3 HN THR 3 14.531 -9.312 1.985 18 HA THR 3 HA THR 3 13.177 -11.808 1.252 19 HB THR 3 HB THR 3 12.604 -9.859 3.459 20 HG1 THR 3 HG1 THR 3 14.328 -12.087 3.273 21 HG21 THR 3 HG21 THR 3 11.295 -11.732 4.425 22 HG22 THR 3 HG22 THR 3 11.692 -12.712 3.013 23 HG23 THR 3 HG23 THR 3 10.697 -11.268 2.832 24 H LEU 4 HN LEU 4 12.016 -11.294 -0.588 25 HA LEU 4 HA LEU 4 11.104 -8.622 -0.972 26 HB2 LEU 4 HB2 LEU 4 10.662 -11.085 -2.638 27 HB3 LEU 4 HB1 LEU 4 10.152 -9.471 -3.087 28 HG LEU 4 HG LEU 4 12.978 -10.478 -2.803 29 HD11 LEU 4 HD11 LEU 4 13.106 -9.938 -5.179 30 HD12 LEU 4 HD12 LEU 4 11.408 -9.461 -5.156 31 HD13 LEU 4 HD13 LEU 4 11.858 -11.137 -4.840 32 HD21 LEU 4 HD21 LEU 4 13.692 -8.234 -3.509 33 HD22 LEU 4 HD22 LEU 4 12.858 -8.186 -1.956 34 HD23 LEU 4 HD23 LEU 4 12.020 -7.677 -3.423 35 H LEU 5 HN LEU 5 9.110 -7.901 -1.133 36 HA LEU 5 HA LEU 5 7.084 -9.376 0.388 37 HB2 LEU 5 HB2 LEU 5 7.870 -7.139 1.212 38 HB3 LEU 5 HB1 LEU 5 7.387 -6.430 -0.302 39 HG LEU 5 HG LEU 5 5.332 -7.700 1.500 40 HD11 LEU 5 HD11 LEU 5 6.614 -6.104 2.857 41 HD12 LEU 5 HD12 LEU 5 4.996 -5.495 2.507 42 HD13 LEU 5 HD13 LEU 5 6.384 -4.871 1.618 43 HD21 LEU 5 HD21 LEU 5 4.680 -7.070 -0.779 44 HD22 LEU 5 HD22 LEU 5 5.241 -5.426 -0.480 45 HD23 LEU 5 HD23 LEU 5 3.873 -6.070 0.427 46 H THR 6 HN THR 6 5.418 -10.218 -0.818 47 HA THR 6 HA THR 6 5.309 -9.282 -3.567 48 HB THR 6 HB THR 6 4.157 -11.479 -4.057 49 HG1 THR 6 HG1 THR 6 4.597 -11.812 -1.295 50 HG21 THR 6 HG21 THR 6 6.517 -11.123 -4.578 51 HG22 THR 6 HG22 THR 6 6.249 -12.780 -4.040 52 HG23 THR 6 HG23 THR 6 6.962 -11.599 -2.939 53 H THR 7 HN THR 7 2.855 -10.266 -4.386 54 HA THR 7 HA THR 7 1.111 -8.232 -3.933 55 HB THR 7 HB THR 7 0.410 -11.092 -4.624 56 HG1 THR 7 HG1 THR 7 0.958 -10.096 -6.849 57 HG21 THR 7 HG21 THR 7 -0.623 -8.424 -5.626 58 HG22 THR 7 HG22 THR 7 -1.454 -9.465 -4.475 59 HG23 THR 7 HG23 THR 7 -1.199 -10.011 -6.135 60 H ASP 8 HN ASP 8 1.109 -11.507 -2.547 61 HA ASP 8 HA ASP 8 -1.178 -11.313 -0.934 62 HB2 ASP 8 HB2 ASP 8 0.019 -13.412 -1.586 63 HB3 ASP 8 HB1 ASP 8 1.267 -13.008 -0.416 64 H ASP 9 HN ASP 9 2.197 -10.614 -0.235 65 HA ASP 9 HA ASP 9 1.956 -10.113 2.570 66 HB2 ASP 9 HB2 ASP 9 3.988 -8.938 0.644 67 HB3 ASP 9 HB1 ASP 9 4.121 -8.968 2.386 68 H LEU 10 HN LEU 10 1.881 -8.068 -0.286 69 HA LEU 10 HA LEU 10 1.671 -5.629 1.121 70 HB2 LEU 10 HB2 LEU 10 2.361 -5.802 -1.253 71 HB3 LEU 10 HB1 LEU 10 0.729 -6.279 -1.674 72 HG LEU 10 HG LEU 10 -0.089 -4.068 -0.929 73 HD11 LEU 10 HD11 LEU 10 2.833 -3.436 -0.570 74 HD12 LEU 10 HD12 LEU 10 1.625 -3.553 0.712 75 HD13 LEU 10 HD13 LEU 10 1.510 -2.272 -0.496 76 HD21 LEU 10 HD21 LEU 10 2.127 -3.975 -2.967 77 HD22 LEU 10 HD22 LEU 10 0.839 -2.786 -2.792 78 HD23 LEU 10 HD23 LEU 10 0.454 -4.438 -3.271 79 H ARG 11 HN ARG 11 -0.703 -7.763 -0.363 80 HA ARG 11 HA ARG 11 -3.024 -6.350 0.046 81 HB2 ARG 11 HB2 ARG 11 -2.869 -8.463 -1.212 82 HB3 ARG 11 HB1 ARG 11 -2.743 -9.334 0.313 83 HG2 ARG 11 HG2 ARG 11 -4.950 -8.676 0.950 84 HG3 ARG 11 HG1 ARG 11 -5.076 -7.580 -0.428 85 HD2 ARG 11 HD2 ARG 11 -6.315 -9.556 -0.919 86 HD3 ARG 11 HD1 ARG 11 -4.873 -9.539 -1.923 87 HE ARG 11 HE ARG 11 -4.596 -10.992 0.529 88 HH11 ARG 11 HH11 ARG 11 -5.464 -11.201 -2.922 89 HH12 ARG 11 HH12 ARG 11 -5.412 -12.907 -2.967 90 HH21 ARG 11 HH21 ARG 11 -4.512 -13.359 0.402 91 HH22 ARG 11 HH22 ARG 11 -4.842 -14.141 -1.067 92 H ARG 12 HN ARG 12 -1.588 -8.704 2.253 93 HA ARG 12 HA ARG 12 -3.524 -8.455 4.187 94 HB2 ARG 12 HB2 ARG 12 -1.854 -9.412 5.785 95 HB3 ARG 12 HB1 ARG 12 -2.116 -10.330 4.296 96 HG2 ARG 12 HG2 ARG 12 -0.205 -9.348 3.385 97 HG3 ARG 12 HG1 ARG 12 0.160 -8.516 4.901 98 HD2 ARG 12 HD2 ARG 12 -0.062 -11.504 4.515 99 HD3 ARG 12 HD1 ARG 12 1.436 -10.606 4.757 100 HE ARG 12 HE ARG 12 -0.261 -10.017 6.864 101 HH11 ARG 12 HH11 ARG 12 1.391 -12.873 5.578 102 HH12 ARG 12 HH12 ARG 12 1.771 -13.555 7.075 103 HH21 ARG 12 HH21 ARG 12 0.063 -10.995 8.955 104 HH22 ARG 12 HH22 ARG 12 0.918 -12.450 9.117 105 H ALA 13 HN ALA 13 -0.533 -6.678 3.837 106 HA ALA 13 HA ALA 13 -0.718 -5.186 6.229 107 HB1 ALA 13 HB1 ALA 13 1.368 -5.370 4.942 108 HB2 ALA 13 HB2 ALA 13 0.932 -3.687 5.223 109 HB3 ALA 13 HB3 ALA 13 0.646 -4.421 3.644 110 H LEU 14 HN LEU 14 -1.904 -4.620 2.972 111 HA LEU 14 HA LEU 14 -2.945 -2.035 3.411 112 HB2 LEU 14 HB2 LEU 14 -3.835 -4.131 1.433 113 HB3 LEU 14 HB1 LEU 14 -4.312 -2.452 1.400 114 HG LEU 14 HG LEU 14 -1.538 -3.534 0.903 115 HD11 LEU 14 HD11 LEU 14 -3.090 -3.975 -0.899 116 HD12 LEU 14 HD12 LEU 14 -1.921 -2.742 -1.371 117 HD13 LEU 14 HD13 LEU 14 -3.563 -2.277 -0.927 118 HD21 LEU 14 HD21 LEU 14 -0.983 -1.233 0.257 119 HD22 LEU 14 HD22 LEU 14 -1.392 -1.381 1.961 120 HD23 LEU 14 HD23 LEU 14 -2.571 -0.701 0.829 121 H VAL 15 HN VAL 15 -4.528 -5.233 3.370 122 HA VAL 15 HA VAL 15 -7.061 -4.152 3.956 123 HB VAL 15 HB VAL 15 -6.715 -6.291 2.708 124 HG11 VAL 15 HG11 VAL 15 -6.491 -8.390 3.926 125 HG12 VAL 15 HG12 VAL 15 -6.209 -7.469 5.408 126 HG13 VAL 15 HG13 VAL 15 -5.084 -7.332 4.055 127 HG21 VAL 15 HG21 VAL 15 -8.629 -6.463 5.036 128 HG22 VAL 15 HG22 VAL 15 -8.709 -7.452 3.576 129 HG23 VAL 15 HG23 VAL 15 -8.948 -5.709 3.474 130 H GLU 16 HN GLU 16 -4.540 -4.926 6.107 131 HA GLU 16 HA GLU 16 -6.315 -5.119 8.382 132 HB2 GLU 16 HB2 GLU 16 -3.342 -4.592 8.278 133 HB3 GLU 16 HB1 GLU 16 -4.259 -4.809 9.757 134 HG2 GLU 16 HG2 GLU 16 -4.801 -7.076 9.117 135 HG3 GLU 16 HG1 GLU 16 -3.959 -6.857 7.579 136 H SER 17 HN SER 17 -4.867 -2.654 6.537 137 HA SER 17 HA SER 17 -5.240 -0.623 8.530 138 HB2 SER 17 HB2 SER 17 -4.467 -0.375 5.619 139 HB3 SER 17 HB1 SER 17 -4.278 0.858 6.871 140 HG SER 17 HG SER 17 -2.788 -1.431 6.365 141 H ALA 18 HN ALA 18 -6.768 -1.689 5.462 142 HA ALA 18 HA ALA 18 -9.259 -0.458 6.179 143 HB1 ALA 18 HB1 ALA 18 -7.723 0.507 3.773 144 HB2 ALA 18 HB2 ALA 18 -8.057 1.462 5.221 145 HB3 ALA 18 HB3 ALA 18 -9.384 0.952 4.168 146 H GLY 19 HN GLY 19 -10.836 -0.854 4.308 147 HA2 GLY 19 HA2 GLY 19 -11.586 -2.191 2.520 148 HA3 GLY 19 HA1 GLY 19 -10.105 -3.144 2.635 149 H GLU 20 HN GLU 20 -12.674 -2.222 4.910 150 HA GLU 20 HA GLU 20 -12.387 -4.749 6.309 151 HB2 GLU 20 HB2 GLU 20 -14.116 -2.341 6.858 152 HB3 GLU 20 HB1 GLU 20 -13.819 -3.680 7.955 153 HG2 GLU 20 HG2 GLU 20 -11.469 -3.076 8.075 154 HG3 GLU 20 HG1 GLU 20 -11.749 -1.752 6.941 155 H THR 21 HN THR 21 -13.464 -5.011 3.756 156 HA THR 21 HA THR 21 -15.176 -5.892 2.538 157 HB THR 21 HB THR 21 -16.480 -6.641 5.198 158 HG1 THR 21 HG1 THR 21 -14.344 -7.880 3.756 159 HG21 THR 21 HG21 THR 21 -16.404 -8.045 2.503 160 HG22 THR 21 HG22 THR 21 -17.779 -7.147 3.142 161 HG23 THR 21 HG23 THR 21 -17.246 -8.627 3.943 162 H ASP 22 HN ASP 22 -15.212 -3.231 2.958 163 HA ASP 22 HA ASP 22 -17.800 -2.215 3.780 164 HB2 ASP 22 HB2 ASP 22 -15.457 -0.866 2.411 165 HB3 ASP 22 HB1 ASP 22 -16.874 -0.038 3.039 166 H GLY 23 HN GLY 23 -17.870 -4.110 1.694 167 HA2 GLY 23 HA2 GLY 23 -19.261 -4.215 -0.220 168 HA3 GLY 23 HA1 GLY 23 -18.865 -2.522 -0.559 169 H THR 24 HN THR 24 -16.481 -2.151 -0.680 170 HA THR 24 HA THR 24 -15.320 -3.868 -2.663 171 HB THR 24 HB THR 24 -14.088 -1.509 -1.217 172 HG1 THR 24 HG1 THR 24 -15.180 -0.945 -3.658 173 HG21 THR 24 HG21 THR 24 -12.592 -2.860 -2.630 174 HG22 THR 24 HG22 THR 24 -12.846 -1.258 -3.326 175 HG23 THR 24 HG23 THR 24 -13.694 -2.653 -3.991 176 H ASP 25 HN ASP 25 -14.744 -5.791 -1.661 177 HA ASP 25 HA ASP 25 -13.265 -5.675 0.864 178 HB2 ASP 25 HB2 ASP 25 -15.042 -7.414 0.621 179 HB3 ASP 25 HB1 ASP 25 -14.121 -8.124 -0.705 180 H LEU 26 HN LEU 26 -11.123 -6.238 1.024 181 HA LEU 26 HA LEU 26 -9.764 -5.917 -1.516 182 HB2 LEU 26 HB2 LEU 26 -9.387 -4.353 0.365 183 HB3 LEU 26 HB1 LEU 26 -8.676 -5.668 1.274 184 HG LEU 26 HG LEU 26 -6.877 -5.834 -0.414 185 HD11 LEU 26 HD11 LEU 26 -6.633 -4.065 -2.082 186 HD12 LEU 26 HD12 LEU 26 -8.190 -3.391 -1.596 187 HD13 LEU 26 HD13 LEU 26 -8.114 -4.988 -2.338 188 HD21 LEU 26 HD21 LEU 26 -7.289 -3.089 0.749 189 HD22 LEU 26 HD22 LEU 26 -5.753 -3.760 0.199 190 HD23 LEU 26 HD23 LEU 26 -6.585 -4.475 1.579 191 H SER 27 HN SER 27 -10.603 -8.597 0.322 192 HA SER 27 HA SER 27 -8.054 -9.887 0.102 193 HB2 SER 27 HB2 SER 27 -10.758 -11.036 0.814 194 HB3 SER 27 HB1 SER 27 -9.210 -11.855 1.018 195 HG SER 27 HG SER 27 -10.451 -10.168 2.655 196 H GLY 28 HN GLY 28 -7.601 -9.767 -2.056 197 HA2 GLY 28 HA2 GLY 28 -8.162 -11.926 -3.683 198 HA3 GLY 28 HA1 GLY 28 -9.270 -10.633 -4.156 199 H ASP 29 HN ASP 29 -8.322 -10.112 -6.098 200 HA ASP 29 HA ASP 29 -5.507 -9.339 -5.991 201 HB2 ASP 29 HB2 ASP 29 -5.493 -9.255 -8.412 202 HB3 ASP 29 HB1 ASP 29 -6.234 -10.768 -7.927 203 H PHE 30 HN PHE 30 -4.826 -7.296 -6.557 204 HA PHE 30 HA PHE 30 -6.823 -5.144 -6.525 205 HB2 PHE 30 HB2 PHE 30 -5.815 -4.161 -4.491 206 HB3 PHE 30 HB1 PHE 30 -6.539 -5.737 -4.174 207 HD1 PHE 30 HD1 PHE 30 -5.008 -7.742 -4.027 208 HD2 PHE 30 HD2 PHE 30 -3.540 -3.762 -4.020 209 HE1 PHE 30 HE1 PHE 30 -2.918 -8.516 -3.008 210 HE2 PHE 30 HE2 PHE 30 -1.456 -4.532 -3.006 211 HZ PHE 30 HZ PHE 30 -1.049 -6.923 -2.707 212 H LEU 31 HN LEU 31 -4.094 -6.367 -7.765 213 HA LEU 31 HA LEU 31 -2.005 -4.572 -7.321 214 HB2 LEU 31 HB2 LEU 31 -1.782 -6.868 -8.142 215 HB3 LEU 31 HB1 LEU 31 -2.446 -6.377 -9.693 216 HG LEU 31 HG LEU 31 -0.481 -4.872 -9.951 217 HD11 LEU 31 HD11 LEU 31 0.085 -4.611 -7.596 218 HD12 LEU 31 HD12 LEU 31 1.460 -5.254 -8.489 219 HD13 LEU 31 HD13 LEU 31 0.479 -6.325 -7.486 220 HD21 LEU 31 HD21 LEU 31 -0.542 -7.071 -10.999 221 HD22 LEU 31 HD22 LEU 31 0.106 -7.803 -9.532 222 HD23 LEU 31 HD23 LEU 31 1.095 -6.682 -10.471 223 H ASP 32 HN ASP 32 -4.394 -4.656 -9.920 224 HA ASP 32 HA ASP 32 -3.282 -2.152 -10.987 225 HB2 ASP 32 HB2 ASP 32 -5.022 -4.245 -12.273 226 HB3 ASP 32 HB1 ASP 32 -4.826 -2.644 -12.978 227 H LEU 33 HN LEU 33 -5.446 -2.872 -8.794 228 HA LEU 33 HA LEU 33 -7.543 -1.132 -9.784 229 HB2 LEU 33 HB2 LEU 33 -7.328 -2.772 -7.250 230 HB3 LEU 33 HB1 LEU 33 -8.635 -1.648 -7.538 231 HG LEU 33 HG LEU 33 -9.461 -3.822 -8.001 232 HD11 LEU 33 HD11 LEU 33 -10.241 -2.144 -9.507 233 HD12 LEU 33 HD12 LEU 33 -10.111 -3.696 -10.334 234 HD13 LEU 33 HD13 LEU 33 -8.891 -2.449 -10.599 235 HD21 LEU 33 HD21 LEU 33 -8.490 -5.342 -9.673 236 HD22 LEU 33 HD22 LEU 33 -7.375 -5.055 -8.340 237 HD23 LEU 33 HD23 LEU 33 -7.134 -4.238 -9.882 238 H ARG 34 HN ARG 34 -7.874 0.874 -9.073 239 HA ARG 34 HA ARG 34 -5.619 2.184 -7.880 240 HB2 ARG 34 HB2 ARG 34 -8.322 3.251 -8.612 241 HB3 ARG 34 HB1 ARG 34 -6.908 4.208 -8.192 242 HG2 ARG 34 HG2 ARG 34 -5.749 3.455 -10.128 243 HG3 ARG 34 HG1 ARG 34 -7.044 2.319 -10.511 244 HD2 ARG 34 HD2 ARG 34 -7.260 5.313 -10.437 245 HD3 ARG 34 HD1 ARG 34 -7.198 4.276 -11.874 246 HE ARG 34 HE ARG 34 -9.283 3.239 -10.931 247 HH11 ARG 34 HH11 ARG 34 -8.472 6.660 -10.387 248 HH12 ARG 34 HH12 ARG 34 -10.092 7.142 -10.228 249 HH21 ARG 34 HH21 ARG 34 -11.508 3.928 -10.624 250 HH22 ARG 34 HH22 ARG 34 -11.852 5.575 -10.310 251 H PHE 35 HN PHE 35 -5.436 3.096 -5.936 252 HA PHE 35 HA PHE 35 -6.865 2.243 -3.715 253 HB2 PHE 35 HB2 PHE 35 -5.248 4.767 -4.098 254 HB3 PHE 35 HB1 PHE 35 -5.902 4.268 -2.540 255 HD1 PHE 35 HD1 PHE 35 -5.170 2.022 -1.600 256 HD2 PHE 35 HD2 PHE 35 -3.255 3.893 -4.901 257 HE1 PHE 35 HE1 PHE 35 -3.178 0.631 -1.236 258 HE2 PHE 35 HE2 PHE 35 -1.264 2.500 -4.547 259 HZ PHE 35 HZ PHE 35 -1.281 0.796 -2.676 260 H GLU 36 HN GLU 36 -7.444 4.906 -5.815 261 HA GLU 36 HA GLU 36 -9.429 6.379 -4.585 262 HB2 GLU 36 HB2 GLU 36 -9.274 5.646 -7.500 263 HB3 GLU 36 HB1 GLU 36 -10.062 7.055 -6.811 264 HG2 GLU 36 HG2 GLU 36 -7.108 6.498 -6.693 265 HG3 GLU 36 HG1 GLU 36 -7.896 7.558 -7.862 266 H ASP 37 HN ASP 37 -9.629 3.272 -6.211 267 HA ASP 37 HA ASP 37 -12.537 3.317 -6.306 268 HB2 ASP 37 HB2 ASP 37 -11.153 2.441 -8.206 269 HB3 ASP 37 HB1 ASP 37 -10.618 1.138 -7.154 270 H ILE 38 HN ILE 38 -9.924 1.864 -4.509 271 HA ILE 38 HA ILE 38 -11.784 0.016 -3.254 272 HB ILE 38 HB ILE 38 -9.777 -1.055 -2.209 273 HG12 ILE 38 HG12 ILE 38 -8.255 0.871 -3.997 274 HG13 ILE 38 HG11 ILE 38 -8.276 0.906 -2.238 275 HG21 ILE 38 HG21 ILE 38 -9.778 -0.804 -5.213 276 HG22 ILE 38 HG22 ILE 38 -10.754 -1.917 -4.253 277 HG23 ILE 38 HG23 ILE 38 -8.998 -2.097 -4.296 278 HD11 ILE 38 HD11 ILE 38 -7.141 -1.296 -3.955 279 HD12 ILE 38 HD12 ILE 38 -7.165 -1.274 -2.192 280 HD13 ILE 38 HD13 ILE 38 -6.218 -0.076 -3.074 281 H GLY 39 HN GLY 39 -11.738 2.855 -2.656 282 HA2 GLY 39 HA2 GLY 39 -12.329 4.126 -0.828 283 HA3 GLY 39 HA1 GLY 39 -12.399 2.632 0.085 284 H TYR 40 HN TYR 40 -9.646 4.210 -1.485 285 HA TYR 40 HA TYR 40 -8.480 4.568 1.179 286 HB2 TYR 40 HB2 TYR 40 -7.167 3.707 -1.372 287 HB3 TYR 40 HB1 TYR 40 -6.250 4.536 -0.132 288 HD1 TYR 40 HD1 TYR 40 -8.397 1.546 -0.671 289 HD2 TYR 40 HD2 TYR 40 -5.274 3.336 1.574 290 HE1 TYR 40 HE1 TYR 40 -7.940 -0.611 0.406 291 HE2 TYR 40 HE2 TYR 40 -4.805 1.196 2.662 292 HH TYR 40 HH TYR 40 -5.984 -0.964 3.140 293 H ASP 41 HN ASP 41 -8.904 6.627 1.555 294 HA ASP 41 HA ASP 41 -8.198 8.635 -0.415 295 HB2 ASP 41 HB2 ASP 41 -9.211 8.834 2.435 296 HB3 ASP 41 HB1 ASP 41 -8.631 10.239 1.554 297 H SER 42 HN SER 42 -6.720 10.477 0.550 298 HA SER 42 HA SER 42 -4.195 9.383 0.631 299 HB2 SER 42 HB2 SER 42 -3.392 11.631 1.215 300 HB3 SER 42 HB1 SER 42 -4.598 11.673 -0.074 301 H LEU 43 HN LEU 43 -6.288 10.232 3.311 302 HA LEU 43 HA LEU 43 -4.411 10.025 5.382 303 HB2 LEU 43 HB2 LEU 43 -6.642 10.995 5.665 304 HB3 LEU 43 HB1 LEU 43 -7.358 9.408 5.461 305 HG LEU 43 HG LEU 43 -6.237 8.653 7.529 306 HD11 LEU 43 HD11 LEU 43 -4.311 10.145 7.495 307 HD12 LEU 43 HD12 LEU 43 -5.193 10.290 9.013 308 HD13 LEU 43 HD13 LEU 43 -5.366 11.530 7.774 309 HD21 LEU 43 HD21 LEU 43 -8.507 9.510 7.608 310 HD22 LEU 43 HD22 LEU 43 -7.881 11.149 7.817 311 HD23 LEU 43 HD23 LEU 43 -7.624 9.936 9.079 312 H ALA 44 HN ALA 44 -6.709 7.539 4.224 313 HA ALA 44 HA ALA 44 -5.694 5.479 5.868 314 HB1 ALA 44 HB1 ALA 44 -7.095 5.196 3.208 315 HB2 ALA 44 HB2 ALA 44 -7.892 5.342 4.775 316 HB3 ALA 44 HB3 ALA 44 -6.895 3.928 4.418 317 H LEU 45 HN LEU 45 -4.843 6.581 2.679 318 HA LEU 45 HA LEU 45 -3.106 4.451 2.076 319 HB2 LEU 45 HB2 LEU 45 -4.036 5.930 0.362 320 HB3 LEU 45 HB1 LEU 45 -3.130 7.275 1.015 321 HG LEU 45 HG LEU 45 -1.031 6.248 0.317 322 HD11 LEU 45 HD11 LEU 45 -1.654 3.898 0.596 323 HD12 LEU 45 HD12 LEU 45 -1.019 4.205 -1.021 324 HD13 LEU 45 HD13 LEU 45 -2.756 4.023 -0.777 325 HD21 LEU 45 HD21 LEU 45 -2.233 7.676 -1.253 326 HD22 LEU 45 HD22 LEU 45 -3.105 6.267 -1.863 327 HD23 LEU 45 HD23 LEU 45 -1.360 6.392 -2.098 328 H MET 46 HN MET 46 -2.527 7.653 3.546 329 HA MET 46 HA MET 46 0.266 7.194 3.773 330 HB2 MET 46 HB2 MET 46 0.422 9.226 5.071 331 HB3 MET 46 HB1 MET 46 -0.689 9.497 3.745 332 HG2 MET 46 HG2 MET 46 -2.574 9.255 5.279 333 HG3 MET 46 HG1 MET 46 -1.453 8.966 6.607 334 HE1 MET 46 HE1 MET 46 0.395 12.430 6.821 335 HE2 MET 46 HE2 MET 46 0.881 11.028 5.867 336 HE3 MET 46 HE3 MET 46 0.265 10.809 7.506 337 H GLU 47 HN GLU 47 -2.446 6.533 5.922 338 HA GLU 47 HA GLU 47 -0.976 5.910 8.242 339 HB2 GLU 47 HB2 GLU 47 -3.545 4.647 7.227 340 HB3 GLU 47 HB1 GLU 47 -2.893 4.415 8.838 341 HG2 GLU 47 HG2 GLU 47 -3.198 6.820 9.286 342 HG3 GLU 47 HG1 GLU 47 -3.870 7.015 7.670 343 H THR 48 HN THR 48 -2.039 3.922 5.556 344 HA THR 48 HA THR 48 -0.883 1.494 6.310 345 HB THR 48 HB THR 48 -1.380 2.505 3.493 346 HG1 THR 48 HG1 THR 48 -3.329 2.702 4.594 347 HG21 THR 48 HG21 THR 48 -1.350 -0.273 4.675 348 HG22 THR 48 HG22 THR 48 -0.103 0.417 3.628 349 HG23 THR 48 HG23 THR 48 -1.736 0.145 3.007 350 H ALA 49 HN ALA 49 0.322 4.007 4.040 351 HA ALA 49 HA ALA 49 2.716 2.802 3.317 352 HB1 ALA 49 HB1 ALA 49 2.169 5.762 3.545 353 HB2 ALA 49 HB2 ALA 49 1.752 4.747 2.166 354 HB3 ALA 49 HB3 ALA 49 3.444 5.006 2.590 355 H ALA 50 HN ALA 50 2.139 5.120 5.959 356 HA ALA 50 HA ALA 50 4.826 5.188 6.789 357 HB1 ALA 50 HB1 ALA 50 4.011 6.304 8.782 358 HB2 ALA 50 HB2 ALA 50 2.361 5.816 8.397 359 HB3 ALA 50 HB3 ALA 50 3.215 6.945 7.346 360 H ARG 51 HN ARG 51 2.217 3.003 7.515 361 HA ARG 51 HA ARG 51 3.332 1.755 9.810 362 HB2 ARG 51 HB2 ARG 51 0.993 1.400 9.116 363 HB3 ARG 51 HB1 ARG 51 1.545 0.587 7.660 364 HG2 ARG 51 HG2 ARG 51 2.586 -1.148 9.083 365 HG3 ARG 51 HG1 ARG 51 1.884 -0.359 10.496 366 HD2 ARG 51 HD2 ARG 51 -0.355 -0.690 9.543 367 HD3 ARG 51 HD1 ARG 51 0.369 -1.509 8.158 368 HE ARG 51 HE ARG 51 1.000 -2.576 10.772 369 HH11 ARG 51 HH11 ARG 51 -1.082 -2.896 7.872 370 HH12 ARG 51 HH12 ARG 51 -1.498 -4.522 8.272 371 HH21 ARG 51 HH21 ARG 51 0.317 -4.788 11.211 372 HH22 ARG 51 HH22 ARG 51 -0.746 -5.538 10.078 373 H LEU 52 HN LEU 52 3.589 1.191 6.370 374 HA LEU 52 HA LEU 52 5.254 -1.088 6.482 375 HB2 LEU 52 HB2 LEU 52 4.979 0.973 4.293 376 HB3 LEU 52 HB1 LEU 52 5.725 -0.601 4.116 377 HG LEU 52 HG LEU 52 2.813 -0.103 4.729 378 HD11 LEU 52 HD11 LEU 52 4.166 -1.026 2.204 379 HD12 LEU 52 HD12 LEU 52 3.392 0.536 2.465 380 HD13 LEU 52 HD13 LEU 52 2.424 -0.940 2.471 381 HD21 LEU 52 HD21 LEU 52 3.617 -2.182 5.716 382 HD22 LEU 52 HD22 LEU 52 4.293 -2.669 4.162 383 HD23 LEU 52 HD23 LEU 52 2.547 -2.507 4.351 384 H GLU 53 HN GLU 53 5.873 2.371 6.214 385 HA GLU 53 HA GLU 53 8.640 2.325 5.974 386 HB2 GLU 53 HB2 GLU 53 6.918 4.338 7.406 387 HB3 GLU 53 HB1 GLU 53 8.619 4.566 7.043 388 HG2 GLU 53 HG2 GLU 53 8.086 4.358 4.653 389 HG3 GLU 53 HG1 GLU 53 6.374 4.275 5.070 390 H SER 54 HN SER 54 6.692 2.519 8.919 391 HA SER 54 HA SER 54 8.838 2.550 10.698 392 HB2 SER 54 HB2 SER 54 6.002 1.603 11.137 393 HB3 SER 54 HB1 SER 54 7.166 1.963 12.415 394 HG SER 54 HG SER 54 6.895 4.010 10.573 395 H ARG 55 HN ARG 55 6.853 -0.251 9.620 396 HA ARG 55 HA ARG 55 8.241 -2.095 11.246 397 HB2 ARG 55 HB2 ARG 55 6.020 -2.622 10.386 398 HB3 ARG 55 HB1 ARG 55 6.642 -2.640 8.738 399 HG2 ARG 55 HG2 ARG 55 8.201 -4.483 9.456 400 HG3 ARG 55 HG1 ARG 55 7.302 -4.550 10.966 401 HD2 ARG 55 HD2 ARG 55 6.093 -4.906 8.238 402 HD3 ARG 55 HD1 ARG 55 6.633 -6.230 9.256 403 HE ARG 55 HE ARG 55 4.853 -4.724 10.748 404 HH11 ARG 55 HH11 ARG 55 4.788 -6.535 7.693 405 HH12 ARG 55 HH12 ARG 55 3.244 -7.183 7.896 406 HH21 ARG 55 HH21 ARG 55 2.658 -5.623 11.083 407 HH22 ARG 55 HH22 ARG 55 1.997 -6.659 9.930 408 H TYR 56 HN TYR 56 8.586 -1.408 7.743 409 HA TYR 56 HA TYR 56 10.680 -3.402 7.624 410 HB2 TYR 56 HB2 TYR 56 9.452 -1.746 5.410 411 HB3 TYR 56 HB1 TYR 56 10.629 -3.039 5.177 412 HD1 TYR 56 HD2 TYR 56 9.989 -5.390 5.923 413 HD2 TYR 56 HD1 TYR 56 7.153 -2.239 5.600 414 HE1 TYR 56 HE2 TYR 56 8.177 -7.045 5.801 415 HE2 TYR 56 HE1 TYR 56 5.332 -3.886 5.478 416 HH TYR 56 HH TYR 56 5.674 -7.103 6.276 417 H GLY 57 HN GLY 57 10.669 -0.284 8.486 418 HA2 GLY 57 HA2 GLY 57 12.411 1.119 8.960 419 HA3 GLY 57 HA1 GLY 57 13.502 -0.139 8.404 420 H VAL 58 HN VAL 58 10.951 1.385 6.574 421 HA VAL 58 HA VAL 58 13.041 2.403 4.800 422 HB VAL 58 HB VAL 58 11.491 2.320 2.896 423 HG11 VAL 58 HG11 VAL 58 11.692 -0.302 4.352 424 HG12 VAL 58 HG12 VAL 58 12.901 0.399 3.271 425 HG13 VAL 58 HG13 VAL 58 11.334 -0.109 2.636 426 HG21 VAL 58 HG21 VAL 58 9.371 2.620 4.067 427 HG22 VAL 58 HG22 VAL 58 9.540 1.024 4.805 428 HG23 VAL 58 HG23 VAL 58 9.326 1.170 3.062 429 H SER 59 HN SER 59 12.189 4.297 3.395 430 HA SER 59 HA SER 59 10.506 6.070 4.953 431 HB2 SER 59 HB2 SER 59 12.247 7.902 4.527 432 HB3 SER 59 HB1 SER 59 12.677 6.693 5.733 433 HG SER 59 HG SER 59 13.777 7.243 3.279 434 H ILE 60 HN ILE 60 8.944 6.528 3.619 435 HA ILE 60 HA ILE 60 9.467 6.600 0.731 436 HB ILE 60 HB ILE 60 6.774 6.399 2.112 437 HG12 ILE 60 HG12 ILE 60 8.424 4.167 0.879 438 HG13 ILE 60 HG11 ILE 60 8.219 4.427 2.608 439 HG21 ILE 60 HG21 ILE 60 7.632 5.882 -0.740 440 HG22 ILE 60 HG22 ILE 60 6.742 7.290 -0.175 441 HG23 ILE 60 HG23 ILE 60 5.998 5.682 -0.103 442 HD11 ILE 60 HD11 ILE 60 5.819 4.021 2.379 443 HD12 ILE 60 HD12 ILE 60 6.770 2.651 1.799 444 HD13 ILE 60 HD13 ILE 60 6.031 3.764 0.647 445 HA PRO 61 HA PRO 61 8.866 11.067 1.183 446 HB2 PRO 61 HB2 PRO 61 9.284 11.040 -1.737 447 HB3 PRO 61 HB1 PRO 61 10.217 11.871 -0.488 448 HG2 PRO 61 HG2 PRO 61 11.211 9.757 -1.806 449 HG3 PRO 61 HG1 PRO 61 11.570 10.040 -0.091 450 HD2 PRO 61 HD2 PRO 61 9.596 8.161 -1.331 451 HD3 PRO 61 HD1 PRO 61 10.721 7.881 0.018 452 H ASP 62 HN ASP 62 7.085 12.309 0.826 453 HA ASP 62 HA ASP 62 4.667 11.105 0.098 454 HB2 ASP 62 HB2 ASP 62 3.580 13.224 0.388 455 HB3 ASP 62 HB1 ASP 62 4.828 13.072 1.614 456 H ASP 63 HN ASP 63 6.911 12.845 -1.915 457 HA ASP 63 HA ASP 63 5.037 13.263 -4.051 458 HB2 ASP 63 HB2 ASP 63 8.064 13.264 -4.091 459 HB3 ASP 63 HB1 ASP 63 7.077 13.616 -5.500 460 H VAL 64 HN VAL 64 7.161 10.739 -3.110 461 HA VAL 64 HA VAL 64 6.904 9.249 -5.551 462 HB VAL 64 HB VAL 64 7.923 8.388 -2.818 463 HG11 VAL 64 HG11 VAL 64 8.202 7.058 -5.515 464 HG12 VAL 64 HG12 VAL 64 7.212 6.484 -4.172 465 HG13 VAL 64 HG13 VAL 64 8.969 6.521 -4.021 466 HG21 VAL 64 HG21 VAL 64 9.258 10.187 -3.785 467 HG22 VAL 64 HG22 VAL 64 9.419 9.271 -5.285 468 HG23 VAL 64 HG23 VAL 64 10.156 8.668 -3.799 469 H ALA 65 HN ALA 65 5.681 8.924 -2.227 470 HA ALA 65 HA ALA 65 3.942 6.777 -2.754 471 HB1 ALA 65 HB1 ALA 65 2.823 7.375 -0.668 472 HB2 ALA 65 HB2 ALA 65 3.640 8.935 -0.667 473 HB3 ALA 65 HB3 ALA 65 4.572 7.452 -0.481 474 H GLY 66 HN GLY 66 3.607 10.196 -3.312 475 HA2 GLY 66 HA2 GLY 66 0.796 10.237 -3.669 476 HA3 GLY 66 HA1 GLY 66 1.934 11.479 -4.155 477 H ARG 67 HN ARG 67 3.289 9.058 -5.724 478 HA ARG 67 HA ARG 67 1.646 9.563 -8.108 479 HB2 ARG 67 HB2 ARG 67 3.478 8.745 -9.464 480 HB3 ARG 67 HB1 ARG 67 4.099 9.934 -8.335 481 HG2 ARG 67 HG2 ARG 67 5.137 8.275 -7.011 482 HG3 ARG 67 HG1 ARG 67 4.266 6.980 -7.824 483 HD2 ARG 67 HD2 ARG 67 5.483 7.378 -9.867 484 HD3 ARG 67 HD1 ARG 67 6.260 8.798 -9.165 485 HE ARG 67 HE ARG 67 7.575 7.427 -7.832 486 HH11 ARG 67 HH11 ARG 67 5.518 5.420 -9.984 487 HH12 ARG 67 HH12 ARG 67 6.540 4.057 -9.844 488 HH21 ARG 67 HH21 ARG 67 8.884 5.571 -7.686 489 HH22 ARG 67 HH22 ARG 67 8.496 4.096 -8.447 490 H VAL 68 HN VAL 68 1.670 7.375 -5.700 491 HA VAL 68 HA VAL 68 1.521 4.990 -7.223 492 HB VAL 68 HB VAL 68 1.160 5.648 -4.304 493 HG11 VAL 68 HG11 VAL 68 1.307 3.287 -3.926 494 HG12 VAL 68 HG12 VAL 68 1.390 3.018 -5.684 495 HG13 VAL 68 HG13 VAL 68 -0.065 3.730 -4.953 496 HG21 VAL 68 HG21 VAL 68 3.482 4.397 -5.770 497 HG22 VAL 68 HG22 VAL 68 3.355 4.590 -4.020 498 HG23 VAL 68 HG23 VAL 68 3.446 6.011 -5.059 499 H ASP 69 HN ASP 69 -0.238 5.084 -8.414 500 HA ASP 69 HA ASP 69 -2.837 5.877 -7.332 501 HB2 ASP 69 HB2 ASP 69 -2.269 6.733 -9.501 502 HB3 ASP 69 HB1 ASP 69 -1.801 5.138 -10.066 503 H THR 70 HN THR 70 -0.906 3.226 -8.233 504 HA THR 70 HA THR 70 -3.056 1.352 -7.561 505 HB THR 70 HB THR 70 -1.949 -0.227 -9.216 506 HG1 THR 70 HG1 THR 70 -0.546 2.162 -9.795 507 HG21 THR 70 HG21 THR 70 -4.093 0.839 -9.705 508 HG22 THR 70 HG22 THR 70 -3.111 0.722 -11.166 509 HG23 THR 70 HG23 THR 70 -3.255 2.264 -10.321 510 HA PRO 71 HA PRO 71 -0.281 -0.322 -4.552 511 HB2 PRO 71 HB2 PRO 71 -1.354 -2.956 -5.426 512 HB3 PRO 71 HB1 PRO 71 -1.295 -2.249 -3.806 513 HG2 PRO 71 HG2 PRO 71 -3.592 -2.331 -5.104 514 HG3 PRO 71 HG1 PRO 71 -3.134 -0.870 -4.200 515 HD2 PRO 71 HD2 PRO 71 -2.996 -1.403 -7.141 516 HD3 PRO 71 HD1 PRO 71 -3.563 0.047 -6.284 517 H ARG 72 HN ARG 72 -0.396 -1.573 -7.785 518 HA ARG 72 HA ARG 72 1.751 -3.240 -8.130 519 HB2 ARG 72 HB2 ARG 72 0.232 -2.448 -9.895 520 HB3 ARG 72 HB1 ARG 72 0.977 -0.864 -9.827 521 HG2 ARG 72 HG2 ARG 72 3.159 -2.175 -10.400 522 HG3 ARG 72 HG1 ARG 72 2.028 -3.408 -10.970 523 HD2 ARG 72 HD2 ARG 72 2.245 -0.548 -11.867 524 HD3 ARG 72 HD1 ARG 72 2.582 -1.986 -12.823 525 HE ARG 72 HE ARG 72 0.156 -2.515 -12.503 526 HH11 ARG 72 HH11 ARG 72 1.333 0.859 -12.690 527 HH12 ARG 72 HH12 ARG 72 -0.132 1.517 -13.195 528 HH21 ARG 72 HH21 ARG 72 -1.885 -1.598 -13.275 529 HH22 ARG 72 HH22 ARG 72 -2.051 0.074 -13.546 530 H GLU 73 HN GLU 73 1.709 0.270 -8.164 531 HA GLU 73 HA GLU 73 4.456 0.734 -8.635 532 HB2 GLU 73 HB2 GLU 73 2.335 2.573 -7.518 533 HB3 GLU 73 HB1 GLU 73 3.838 3.059 -8.305 534 HG2 GLU 73 HG2 GLU 73 3.126 2.170 -10.393 535 HG3 GLU 73 HG1 GLU 73 1.715 1.423 -9.666 536 H LEU 74 HN LEU 74 2.426 0.732 -5.803 537 HA LEU 74 HA LEU 74 4.320 1.688 -3.927 538 HB2 LEU 74 HB2 LEU 74 1.735 1.509 -3.770 539 HB3 LEU 74 HB1 LEU 74 2.003 -0.149 -3.321 540 HG LEU 74 HG LEU 74 1.519 1.379 -1.411 541 HD11 LEU 74 HD11 LEU 74 3.252 0.564 0.086 542 HD12 LEU 74 HD12 LEU 74 4.210 0.060 -1.306 543 HD13 LEU 74 HD13 LEU 74 2.656 -0.706 -0.985 544 HD21 LEU 74 HD21 LEU 74 3.271 2.899 -0.624 545 HD22 LEU 74 HD22 LEU 74 2.671 3.360 -2.219 546 HD23 LEU 74 HD23 LEU 74 4.220 2.540 -2.068 547 H LEU 75 HN LEU 75 3.273 -1.546 -4.889 548 HA LEU 75 HA LEU 75 4.761 -3.155 -3.197 549 HB2 LEU 75 HB2 LEU 75 2.980 -3.917 -4.727 550 HB3 LEU 75 HB1 LEU 75 4.036 -3.630 -6.093 551 HG LEU 75 HG LEU 75 5.560 -5.389 -5.237 552 HD11 LEU 75 HD11 LEU 75 4.754 -6.892 -3.492 553 HD12 LEU 75 HD12 LEU 75 3.366 -5.837 -3.230 554 HD13 LEU 75 HD13 LEU 75 4.995 -5.256 -2.886 555 HD21 LEU 75 HD21 LEU 75 4.117 -7.274 -5.829 556 HD22 LEU 75 HD22 LEU 75 3.880 -5.910 -6.926 557 HD23 LEU 75 HD23 LEU 75 2.699 -6.242 -5.662 558 H ASP 76 HN ASP 76 5.574 -1.966 -6.429 559 HA ASP 76 HA ASP 76 8.167 -3.011 -6.607 560 HB2 ASP 76 HB2 ASP 76 7.036 -2.069 -8.566 561 HB3 ASP 76 HB1 ASP 76 7.107 -0.465 -7.844 562 H LEU 77 HN LEU 77 7.047 0.093 -5.380 563 HA LEU 77 HA LEU 77 9.558 1.226 -4.906 564 HB2 LEU 77 HB2 LEU 77 7.383 2.456 -5.017 565 HB3 LEU 77 HB1 LEU 77 6.943 1.784 -3.473 566 HG LEU 77 HG LEU 77 7.676 4.187 -3.457 567 HD11 LEU 77 HD11 LEU 77 7.672 2.932 -1.389 568 HD12 LEU 77 HD12 LEU 77 9.033 4.055 -1.434 569 HD13 LEU 77 HD13 LEU 77 9.296 2.334 -1.725 570 HD21 LEU 77 HD21 LEU 77 10.076 4.669 -3.541 571 HD22 LEU 77 HD22 LEU 77 9.473 4.043 -5.074 572 HD23 LEU 77 HD23 LEU 77 10.388 2.993 -3.994 573 H ILE 78 HN ILE 78 7.450 -0.680 -2.790 574 HA ILE 78 HA ILE 78 9.078 -0.493 -0.496 575 HB ILE 78 HB ILE 78 7.120 -2.661 -1.313 576 HG12 ILE 78 HG12 ILE 78 6.082 -0.487 -0.964 577 HG13 ILE 78 HG11 ILE 78 5.627 -1.588 0.330 578 HG21 ILE 78 HG21 ILE 78 8.432 -2.273 1.379 579 HG22 ILE 78 HG22 ILE 78 8.700 -3.617 0.269 580 HG23 ILE 78 HG23 ILE 78 7.123 -3.406 1.030 581 HD11 ILE 78 HD11 ILE 78 7.262 -0.513 1.806 582 HD12 ILE 78 HD12 ILE 78 6.084 0.643 1.182 583 HD13 ILE 78 HD13 ILE 78 7.709 0.588 0.502 584 H ASN 79 HN ASN 79 8.914 -2.995 -2.999 585 HA ASN 79 HA ASN 79 10.955 -4.594 -1.880 586 HB2 ASN 79 HB2 ASN 79 9.846 -4.490 -4.671 587 HB3 ASN 79 HB1 ASN 79 11.158 -5.580 -4.232 588 HD21 ASN 79 HD21 ASN 79 7.775 -4.861 -3.828 589 HD22 ASN 79 HD22 ASN 79 7.386 -6.377 -3.085 590 H GLY 80 HN GLY 80 11.113 -1.891 -4.044 591 HA2 GLY 80 HA2 GLY 80 13.905 -2.198 -4.617 592 HA3 GLY 80 HA1 GLY 80 12.937 -0.750 -4.894 593 H ALA 81 HN ALA 81 11.999 -0.418 -2.254 594 HA ALA 81 HA ALA 81 14.168 0.994 -1.118 595 HB1 ALA 81 HB1 ALA 81 11.846 1.752 -0.913 596 HB2 ALA 81 HB2 ALA 81 12.615 1.572 0.666 597 HB3 ALA 81 HB3 ALA 81 11.482 0.348 0.091 598 H LEU 82 HN LEU 82 12.902 -2.178 -0.656 599 HA LEU 82 HA LEU 82 14.092 -2.761 1.840 600 HB2 LEU 82 HB2 LEU 82 13.530 -4.626 -0.475 601 HB3 LEU 82 HB1 LEU 82 13.955 -5.146 1.142 602 HG LEU 82 HG LEU 82 11.452 -3.641 0.388 603 HD11 LEU 82 HD11 LEU 82 11.847 -6.527 1.135 604 HD12 LEU 82 HD12 LEU 82 11.422 -5.901 -0.460 605 HD13 LEU 82 HD13 LEU 82 10.294 -5.728 0.883 606 HD21 LEU 82 HD21 LEU 82 12.180 -3.121 2.659 607 HD22 LEU 82 HD22 LEU 82 12.303 -4.839 3.027 608 HD23 LEU 82 HD23 LEU 82 10.729 -4.122 2.681 609 H ALA 83 HN ALA 83 15.295 -2.850 -1.453 610 HA ALA 83 HA ALA 83 17.850 -3.922 -0.891 611 HB1 ALA 83 HB1 ALA 83 16.995 -2.093 -3.141 612 HB2 ALA 83 HB2 ALA 83 16.915 -3.855 -3.164 613 HB3 ALA 83 HB3 ALA 83 18.478 -3.045 -3.088 614 H GLU 84 HN GLU 84 16.487 -0.744 -0.807 615 HA GLU 84 HA GLU 84 18.946 0.685 -0.484 616 HB2 GLU 84 HB2 GLU 84 16.120 1.569 0.142 617 HB3 GLU 84 HB1 GLU 84 17.519 2.614 -0.041 618 HG2 GLU 84 HG2 GLU 84 16.394 0.879 -2.232 619 HG3 GLU 84 HG1 GLU 84 16.004 2.580 -2.006 620 H ALA 85 HN ALA 85 16.327 -0.281 1.695 621 HA ALA 85 HA ALA 85 17.804 0.600 4.009 622 HB1 ALA 85 HB1 ALA 85 15.377 0.961 3.917 623 HB2 ALA 85 HB2 ALA 85 15.826 -0.061 5.283 624 HB3 ALA 85 HB3 ALA 85 15.124 -0.782 3.834 625 H ALA 86 HN ALA 86 19.492 -0.886 3.330 626 HA ALA 86 HA ALA 86 19.279 -3.340 4.847 627 HB1 ALA 86 HB1 ALA 86 20.322 -3.207 2.008 628 HB2 ALA 86 HB2 ALA 86 18.845 -4.018 2.525 629 HB3 ALA 86 HB3 ALA 86 20.415 -4.616 3.065 630 H28 SXH 87 H28B SXH 87 -2.787 12.843 2.902 631 H28A SXH 87 H28A SXH 87 -2.934 14.518 3.435 632 H30 SXH 87 H30C SXH 87 0.706 13.748 3.211 633 H30A SXH 87 H30A SXH 87 -0.541 12.547 3.556 634 H30B SXH 87 H30B SXH 87 -0.617 14.139 4.311 635 H31 SXH 87 H31A SXH 87 -1.435 13.648 0.170 636 H31A SXH 87 H31C SXH 87 0.228 13.491 0.741 637 H31B SXH 87 H31B SXH 87 -0.968 12.269 1.168 638 H32 SXH 87 H32A SXH 87 -1.122 16.254 2.857 639 HO33 SXH 87 H33A SXH 87 -0.891 16.214 0.189 640 HN36 SXH 87 H36A SXH 87 1.104 15.880 3.533 641 H37 SXH 87 H37A SXH 87 3.422 15.410 2.068 642 H37A SXH 87 H37B SXH 87 2.939 17.012 1.620 643 H38 SXH 87 H38A SXH 87 4.478 17.401 3.209 644 H38A SXH 87 H38B SXH 87 2.927 17.651 4.084 645 HN41 SXH 87 H41A SXH 87 3.343 14.491 3.719 646 H42 SXH 87 H42A SXH 87 5.409 13.511 5.208 647 H42A SXH 87 H42B SXH 87 4.211 13.982 6.412 648 H43 SXH 87 H43A SXH 87 2.578 12.508 5.359 649 H43A SXH 87 H43B SXH 87 4.040 11.601 5.799 650 H2 SXH 87 H2A SXH 87 1.909 8.971 2.381 651 H2A SXH 87 H2B SXH 87 3.431 9.577 1.716 652 H3 SXH 87 H3A SXH 87 2.364 11.728 1.237 653 H3A SXH 87 H3B SXH 87 0.852 11.142 1.924 654 H4 SXH 87 H4B SXH 87 0.860 11.070 -0.543 655 H4A SXH 87 H4A SXH 87 2.227 9.962 -0.488 656 H5 SXH 87 H5A SXH 87 0.796 8.351 0.783 657 H5A SXH 87 H5B SXH 87 0.169 8.712 -0.834 658 H6 SXH 87 H6C SXH 87 -1.615 8.731 0.844 659 H6A SXH 87 H6A SXH 87 -1.381 10.333 0.144 660 H6B SXH 87 H6B SXH 87 -0.749 9.969 1.751 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 20.209 -12.935 3.894 2 H2 MET 1 HT2 MET 1 19.105 -11.751 4.433 3 H3 MET 1 HT3 MET 1 20.292 -11.347 3.314 4 HA MET 1 HA MET 1 19.367 -12.748 1.657 5 HB2 MET 1 HB2 MET 1 17.243 -13.874 1.967 6 HB3 MET 1 HB1 MET 1 18.334 -14.415 3.233 7 HG2 MET 1 HG2 MET 1 17.238 -12.917 4.819 8 HG3 MET 1 HG1 MET 1 16.165 -12.349 3.542 9 HE1 MET 1 HE1 MET 1 17.429 -16.029 4.221 10 HE2 MET 1 HE2 MET 1 16.130 -16.647 5.242 11 HE3 MET 1 HE3 MET 1 17.184 -15.365 5.837 12 H ALA 2 HN ALA 2 17.500 -12.026 0.352 13 HA ALA 2 HA ALA 2 17.062 -9.213 0.800 14 HB1 ALA 2 HB1 ALA 2 16.043 -9.228 -1.421 15 HB2 ALA 2 HB2 ALA 2 16.124 -10.989 -1.457 16 HB3 ALA 2 HB3 ALA 2 17.611 -10.038 -1.445 17 H THR 3 HN THR 3 15.556 -8.662 2.174 18 HA THR 3 HA THR 3 13.154 -10.227 2.597 19 HB THR 3 HB THR 3 14.062 -7.611 3.740 20 HG1 THR 3 HG1 THR 3 14.256 -10.217 4.875 21 HG21 THR 3 HG21 THR 3 11.995 -9.589 4.728 22 HG22 THR 3 HG22 THR 3 11.664 -8.001 4.035 23 HG23 THR 3 HG23 THR 3 12.494 -8.129 5.585 24 H LEU 4 HN LEU 4 11.639 -9.920 1.062 25 HA LEU 4 HA LEU 4 11.262 -7.206 0.005 26 HB2 LEU 4 HB2 LEU 4 10.940 -9.817 -1.464 27 HB3 LEU 4 HB1 LEU 4 10.492 -8.251 -2.105 28 HG LEU 4 HG LEU 4 13.293 -9.133 -1.404 29 HD11 LEU 4 HD11 LEU 4 13.667 -9.047 -3.812 30 HD12 LEU 4 HD12 LEU 4 11.964 -8.663 -4.062 31 HD13 LEU 4 HD13 LEU 4 12.425 -10.226 -3.388 32 HD21 LEU 4 HD21 LEU 4 12.312 -6.566 -2.660 33 HD22 LEU 4 HD22 LEU 4 13.998 -7.036 -2.450 34 HD23 LEU 4 HD23 LEU 4 12.984 -6.733 -1.039 35 H LEU 5 HN LEU 5 9.057 -6.942 -1.007 36 HA LEU 5 HA LEU 5 7.038 -7.816 0.930 37 HB2 LEU 5 HB2 LEU 5 7.443 -5.366 0.472 38 HB3 LEU 5 HB1 LEU 5 6.991 -5.684 -1.188 39 HG LEU 5 HG LEU 5 4.720 -6.360 -0.376 40 HD11 LEU 5 HD11 LEU 5 4.041 -5.615 1.827 41 HD12 LEU 5 HD12 LEU 5 5.709 -5.174 2.190 42 HD13 LEU 5 HD13 LEU 5 5.282 -6.861 1.910 43 HD21 LEU 5 HD21 LEU 5 5.129 -4.167 -1.332 44 HD22 LEU 5 HD22 LEU 5 5.595 -3.556 0.263 45 HD23 LEU 5 HD23 LEU 5 3.939 -4.104 -0.031 46 H THR 6 HN THR 6 5.565 -9.316 0.216 47 HA THR 6 HA THR 6 5.474 -9.807 -2.635 48 HB THR 6 HB THR 6 4.148 -11.863 -1.916 49 HG1 THR 6 HG1 THR 6 3.745 -12.158 0.092 50 HG21 THR 6 HG21 THR 6 6.532 -11.995 -2.493 51 HG22 THR 6 HG22 THR 6 6.143 -13.102 -1.176 52 HG23 THR 6 HG23 THR 6 6.960 -11.576 -0.835 53 H THR 7 HN THR 7 3.206 -10.342 -3.486 54 HA THR 7 HA THR 7 1.586 -8.090 -3.264 55 HB THR 7 HB THR 7 0.611 -10.819 -4.159 56 HG1 THR 7 HG1 THR 7 1.515 -9.712 -6.276 57 HG21 THR 7 HG21 THR 7 0.059 -7.998 -5.126 58 HG22 THR 7 HG22 THR 7 -1.029 -8.968 -4.132 59 HG23 THR 7 HG23 THR 7 -0.662 -9.468 -5.786 60 H ASP 8 HN ASP 8 1.375 -11.262 -1.715 61 HA ASP 8 HA ASP 8 -1.107 -10.828 -0.413 62 HB2 ASP 8 HB2 ASP 8 -0.720 -12.889 0.730 63 HB3 ASP 8 HB1 ASP 8 -0.059 -13.090 -0.887 64 H ASP 9 HN ASP 9 2.213 -10.141 0.387 65 HA ASP 9 HA ASP 9 1.784 -9.633 3.167 66 HB2 ASP 9 HB2 ASP 9 4.086 -9.998 1.898 67 HB3 ASP 9 HB1 ASP 9 3.924 -8.283 1.576 68 H LEU 10 HN LEU 10 1.910 -7.730 0.246 69 HA LEU 10 HA LEU 10 1.468 -5.193 1.385 70 HB2 LEU 10 HB2 LEU 10 2.311 -5.510 -0.892 71 HB3 LEU 10 HB1 LEU 10 0.800 -6.256 -1.361 72 HG LEU 10 HG LEU 10 -0.360 -4.113 -1.028 73 HD11 LEU 10 HD11 LEU 10 2.398 -3.022 -0.477 74 HD12 LEU 10 HD12 LEU 10 1.077 -3.151 0.685 75 HD13 LEU 10 HD13 LEU 10 0.933 -2.062 -0.693 76 HD21 LEU 10 HD21 LEU 10 2.051 -3.963 -2.830 77 HD22 LEU 10 HD22 LEU 10 0.603 -2.965 -2.959 78 HD23 LEU 10 HD23 LEU 10 0.499 -4.705 -3.224 79 H ARG 11 HN ARG 11 -0.662 -7.733 0.227 80 HA ARG 11 HA ARG 11 -3.136 -6.567 0.475 81 HB2 ARG 11 HB2 ARG 11 -2.782 -8.884 -0.317 82 HB3 ARG 11 HB1 ARG 11 -2.422 -9.381 1.331 83 HG2 ARG 11 HG2 ARG 11 -4.704 -8.742 1.998 84 HG3 ARG 11 HG1 ARG 11 -5.053 -8.306 0.326 85 HD2 ARG 11 HD2 ARG 11 -4.228 -11.040 1.286 86 HD3 ARG 11 HD1 ARG 11 -5.878 -10.546 0.929 87 HE ARG 11 HE ARG 11 -4.930 -10.120 -1.410 88 HH11 ARG 11 HH11 ARG 11 -3.504 -12.585 0.698 89 HH12 ARG 11 HH12 ARG 11 -3.261 -13.704 -0.572 90 HH21 ARG 11 HH21 ARG 11 -4.593 -11.631 -3.106 91 HH22 ARG 11 HH22 ARG 11 -3.953 -13.173 -2.809 92 H ARG 12 HN ARG 12 -1.176 -8.068 3.033 93 HA ARG 12 HA ARG 12 -2.916 -7.716 5.195 94 HB2 ARG 12 HB2 ARG 12 0.080 -7.649 5.121 95 HB3 ARG 12 HB1 ARG 12 -0.821 -7.477 6.607 96 HG2 ARG 12 HG2 ARG 12 -1.836 -9.753 6.018 97 HG3 ARG 12 HG1 ARG 12 -0.521 -9.869 4.838 98 HD2 ARG 12 HD2 ARG 12 0.079 -10.873 7.033 99 HD3 ARG 12 HD1 ARG 12 1.135 -9.527 6.584 100 HE ARG 12 HE ARG 12 -1.130 -8.713 8.144 101 HH11 ARG 12 HH11 ARG 12 2.192 -10.012 8.563 102 HH12 ARG 12 HH12 ARG 12 2.364 -9.242 10.079 103 HH21 ARG 12 HH21 ARG 12 -0.827 -7.745 10.096 104 HH22 ARG 12 HH22 ARG 12 0.620 -7.903 11.017 105 H ALA 13 HN ALA 13 -0.423 -5.562 3.963 106 HA ALA 13 HA ALA 13 -0.670 -3.605 5.964 107 HB1 ALA 13 HB1 ALA 13 0.267 -3.258 3.116 108 HB2 ALA 13 HB2 ALA 13 1.271 -3.747 4.480 109 HB3 ALA 13 HB3 ALA 13 0.553 -2.135 4.446 110 H LEU 14 HN LEU 14 -2.127 -3.894 2.787 111 HA LEU 14 HA LEU 14 -3.568 -1.482 2.923 112 HB2 LEU 14 HB2 LEU 14 -4.072 -3.941 1.261 113 HB3 LEU 14 HB1 LEU 14 -4.872 -2.401 1.038 114 HG LEU 14 HG LEU 14 -1.915 -2.909 0.671 115 HD11 LEU 14 HD11 LEU 14 -3.261 -3.927 -1.063 116 HD12 LEU 14 HD12 LEU 14 -2.390 -2.525 -1.685 117 HD13 LEU 14 HD13 LEU 14 -4.108 -2.403 -1.322 118 HD21 LEU 14 HD21 LEU 14 -2.375 -0.638 1.435 119 HD22 LEU 14 HD22 LEU 14 -3.554 -0.436 0.140 120 HD23 LEU 14 HD23 LEU 14 -1.846 -0.650 -0.246 121 H VAL 15 HN VAL 15 -4.655 -4.852 3.425 122 HA VAL 15 HA VAL 15 -7.319 -4.066 4.020 123 HB VAL 15 HB VAL 15 -6.624 -6.343 3.144 124 HG11 VAL 15 HG11 VAL 15 -4.802 -6.838 4.609 125 HG12 VAL 15 HG12 VAL 15 -6.031 -8.098 4.731 126 HG13 VAL 15 HG13 VAL 15 -5.885 -6.878 6.000 127 HG21 VAL 15 HG21 VAL 15 -8.897 -5.996 3.911 128 HG22 VAL 15 HG22 VAL 15 -8.412 -6.361 5.566 129 HG23 VAL 15 HG23 VAL 15 -8.352 -7.621 4.331 130 H GLU 16 HN GLU 16 -4.528 -4.234 6.020 131 HA GLU 16 HA GLU 16 -6.152 -4.181 8.386 132 HB2 GLU 16 HB2 GLU 16 -3.171 -4.064 8.015 133 HB3 GLU 16 HB1 GLU 16 -3.930 -3.841 9.587 134 HG2 GLU 16 HG2 GLU 16 -4.976 -6.045 9.400 135 HG3 GLU 16 HG1 GLU 16 -4.201 -6.274 7.834 136 H SER 17 HN SER 17 -4.837 -1.921 6.235 137 HA SER 17 HA SER 17 -5.187 0.295 8.054 138 HB2 SER 17 HB2 SER 17 -4.795 0.274 5.045 139 HB3 SER 17 HB1 SER 17 -4.672 1.685 6.097 140 HG SER 17 HG SER 17 -2.987 -0.592 5.990 141 H ALA 18 HN ALA 18 -6.747 -1.146 5.201 142 HA ALA 18 HA ALA 18 -9.355 -0.396 6.104 143 HB1 ALA 18 HB1 ALA 18 -9.934 0.850 4.120 144 HB2 ALA 18 HB2 ALA 18 -8.284 0.639 3.528 145 HB3 ALA 18 HB3 ALA 18 -8.581 1.654 4.956 146 H GLY 19 HN GLY 19 -9.671 -2.637 6.043 147 HA2 GLY 19 HA2 GLY 19 -9.633 -3.852 3.394 148 HA3 GLY 19 HA1 GLY 19 -9.957 -4.682 4.924 149 H GLU 20 HN GLU 20 -11.740 -3.440 6.140 150 HA GLU 20 HA GLU 20 -13.934 -3.067 6.455 151 HB2 GLU 20 HB2 GLU 20 -13.674 -1.481 3.903 152 HB3 GLU 20 HB1 GLU 20 -14.883 -1.253 5.162 153 HG2 GLU 20 HG2 GLU 20 -11.912 -0.792 5.416 154 HG3 GLU 20 HG1 GLU 20 -13.163 0.443 5.319 155 H THR 21 HN THR 21 -16.196 -2.807 5.006 156 HA THR 21 HA THR 21 -16.301 -4.711 2.848 157 HB THR 21 HB THR 21 -16.401 -6.143 4.919 158 HG1 THR 21 HG1 THR 21 -17.587 -6.602 2.887 159 HG21 THR 21 HG21 THR 21 -18.441 -6.115 6.310 160 HG22 THR 21 HG22 THR 21 -19.005 -4.693 5.432 161 HG23 THR 21 HG23 THR 21 -17.548 -4.598 6.424 162 H ASP 22 HN ASP 22 -16.856 -1.867 3.371 163 HA ASP 22 HA ASP 22 -19.747 -1.488 3.382 164 HB2 ASP 22 HB2 ASP 22 -17.593 0.555 2.778 165 HB3 ASP 22 HB1 ASP 22 -19.259 0.881 3.228 166 H GLY 23 HN GLY 23 -17.091 -0.974 1.231 167 HA2 GLY 23 HA2 GLY 23 -18.215 -1.687 -1.192 168 HA3 GLY 23 HA1 GLY 23 -18.420 0.069 -1.004 169 H THR 24 HN THR 24 -16.413 0.724 0.486 170 HA THR 24 HA THR 24 -14.022 0.351 -0.999 171 HB THR 24 HB THR 24 -14.243 2.448 0.165 172 HG1 THR 24 HG1 THR 24 -12.129 1.425 0.287 173 HG21 THR 24 HG21 THR 24 -15.872 1.893 1.890 174 HG22 THR 24 HG22 THR 24 -14.464 2.638 2.640 175 HG23 THR 24 HG23 THR 24 -14.682 0.895 2.723 176 H ASP 25 HN ASP 25 -14.249 -2.007 -0.991 177 HA ASP 25 HA ASP 25 -13.079 -3.132 1.414 178 HB2 ASP 25 HB2 ASP 25 -14.272 -5.247 1.052 179 HB3 ASP 25 HB1 ASP 25 -15.389 -3.914 1.257 180 H LEU 26 HN LEU 26 -11.317 -4.100 1.242 181 HA LEU 26 HA LEU 26 -10.260 -4.679 -1.441 182 HB2 LEU 26 HB2 LEU 26 -9.421 -2.557 -0.453 183 HB3 LEU 26 HB1 LEU 26 -8.809 -3.452 0.910 184 HG LEU 26 HG LEU 26 -7.774 -3.845 -1.913 185 HD11 LEU 26 HD11 LEU 26 -6.727 -2.081 0.291 186 HD12 LEU 26 HD12 LEU 26 -7.462 -1.535 -1.216 187 HD13 LEU 26 HD13 LEU 26 -5.924 -2.400 -1.247 188 HD21 LEU 26 HD21 LEU 26 -5.808 -4.780 -0.782 189 HD22 LEU 26 HD22 LEU 26 -7.258 -5.675 -0.330 190 HD23 LEU 26 HD23 LEU 26 -6.564 -4.500 0.787 191 H SER 27 HN SER 27 -9.687 -6.747 -1.670 192 HA SER 27 HA SER 27 -8.015 -8.077 0.134 193 HB2 SER 27 HB2 SER 27 -10.297 -8.352 1.281 194 HB3 SER 27 HB1 SER 27 -10.773 -9.298 -0.128 195 HG SER 27 HG SER 27 -10.038 -10.679 1.448 196 H GLY 28 HN GLY 28 -7.909 -10.494 -0.706 197 HA2 GLY 28 HA2 GLY 28 -7.391 -11.895 -2.456 198 HA3 GLY 28 HA1 GLY 28 -8.655 -11.075 -3.365 199 H ASP 29 HN ASP 29 -7.838 -10.498 -5.247 200 HA ASP 29 HA ASP 29 -5.076 -9.486 -5.340 201 HB2 ASP 29 HB2 ASP 29 -5.866 -11.273 -7.019 202 HB3 ASP 29 HB1 ASP 29 -6.843 -10.000 -7.745 203 H PHE 30 HN PHE 30 -4.671 -7.450 -5.997 204 HA PHE 30 HA PHE 30 -6.880 -5.618 -6.605 205 HB2 PHE 30 HB2 PHE 30 -6.122 -4.153 -4.666 206 HB3 PHE 30 HB1 PHE 30 -6.992 -5.622 -4.221 207 HD1 PHE 30 HD2 PHE 30 -3.595 -4.194 -4.564 208 HD2 PHE 30 HD1 PHE 30 -5.990 -7.214 -2.778 209 HE1 PHE 30 HE2 PHE 30 -1.736 -4.811 -3.097 210 HE2 PHE 30 HE1 PHE 30 -4.132 -7.826 -1.304 211 HZ PHE 30 HZ PHE 30 -1.954 -6.846 -1.636 212 H LEU 31 HN LEU 31 -3.970 -6.667 -7.430 213 HA LEU 31 HA LEU 31 -2.089 -4.701 -6.851 214 HB2 LEU 31 HB2 LEU 31 -1.657 -7.019 -7.746 215 HB3 LEU 31 HB1 LEU 31 -1.981 -6.366 -9.344 216 HG LEU 31 HG LEU 31 -0.213 -4.610 -8.726 217 HD11 LEU 31 HD11 LEU 31 -0.008 -5.091 -6.409 218 HD12 LEU 31 HD12 LEU 31 1.532 -5.394 -7.213 219 HD13 LEU 31 HD13 LEU 31 0.497 -6.744 -6.752 220 HD21 LEU 31 HD21 LEU 31 0.691 -7.443 -9.283 221 HD22 LEU 31 HD22 LEU 31 1.551 -5.916 -9.646 222 HD23 LEU 31 HD23 LEU 31 0.063 -6.290 -10.472 223 H ASP 32 HN ASP 32 -4.317 -4.844 -9.553 224 HA ASP 32 HA ASP 32 -2.967 -2.558 -10.816 225 HB2 ASP 32 HB2 ASP 32 -5.152 -4.308 -11.937 226 HB3 ASP 32 HB1 ASP 32 -4.211 -3.108 -12.809 227 H LEU 33 HN LEU 33 -5.171 -2.795 -8.539 228 HA LEU 33 HA LEU 33 -7.292 -1.267 -9.777 229 HB2 LEU 33 HB2 LEU 33 -6.960 -2.499 -7.076 230 HB3 LEU 33 HB1 LEU 33 -8.150 -1.243 -7.309 231 HG LEU 33 HG LEU 33 -9.307 -2.624 -8.970 232 HD11 LEU 33 HD11 LEU 33 -7.462 -3.872 -9.887 233 HD12 LEU 33 HD12 LEU 33 -8.698 -4.975 -9.280 234 HD13 LEU 33 HD13 LEU 33 -7.224 -4.703 -8.355 235 HD21 LEU 33 HD21 LEU 33 -10.131 -4.341 -7.448 236 HD22 LEU 33 HD22 LEU 33 -9.957 -2.775 -6.651 237 HD23 LEU 33 HD23 LEU 33 -8.764 -4.042 -6.376 238 H ARG 34 HN ARG 34 -7.750 0.769 -9.516 239 HA ARG 34 HA ARG 34 -5.717 2.520 -8.501 240 HB2 ARG 34 HB2 ARG 34 -8.471 3.022 -9.641 241 HB3 ARG 34 HB1 ARG 34 -7.380 4.301 -9.136 242 HG2 ARG 34 HG2 ARG 34 -6.795 2.280 -11.295 243 HG3 ARG 34 HG1 ARG 34 -7.348 3.939 -11.559 244 HD2 ARG 34 HD2 ARG 34 -5.369 4.755 -10.350 245 HD3 ARG 34 HD1 ARG 34 -4.807 3.098 -10.185 246 HE ARG 34 HE ARG 34 -4.590 3.030 -12.601 247 HH11 ARG 34 HH11 ARG 34 -5.068 6.247 -11.183 248 HH12 ARG 34 HH12 ARG 34 -4.060 7.065 -12.256 249 HH21 ARG 34 HH21 ARG 34 -3.112 4.171 -14.128 250 HH22 ARG 34 HH22 ARG 34 -2.919 5.854 -13.932 251 H PHE 35 HN PHE 35 -5.605 3.333 -6.534 252 HA PHE 35 HA PHE 35 -7.076 2.463 -4.371 253 HB2 PHE 35 HB2 PHE 35 -5.474 5.002 -4.652 254 HB3 PHE 35 HB1 PHE 35 -6.183 4.483 -3.129 255 HD1 PHE 35 HD1 PHE 35 -5.624 1.887 -2.600 256 HD2 PHE 35 HD2 PHE 35 -3.259 4.522 -4.947 257 HE1 PHE 35 HE1 PHE 35 -3.639 0.523 -2.114 258 HE2 PHE 35 HE2 PHE 35 -1.265 3.160 -4.473 259 HZ PHE 35 HZ PHE 35 -1.452 1.160 -3.051 260 H GLU 36 HN GLU 36 -7.647 5.357 -6.246 261 HA GLU 36 HA GLU 36 -9.660 6.597 -4.834 262 HB2 GLU 36 HB2 GLU 36 -10.451 7.444 -7.019 263 HB3 GLU 36 HB1 GLU 36 -8.707 7.576 -6.818 264 HG2 GLU 36 HG2 GLU 36 -8.304 5.734 -8.238 265 HG3 GLU 36 HG1 GLU 36 -10.004 5.280 -8.241 266 H ASP 37 HN ASP 37 -9.901 3.684 -6.785 267 HA ASP 37 HA ASP 37 -12.802 3.844 -6.833 268 HB2 ASP 37 HB2 ASP 37 -11.659 3.165 -8.886 269 HB3 ASP 37 HB1 ASP 37 -10.972 1.775 -8.049 270 H ILE 38 HN ILE 38 -10.353 2.310 -5.033 271 HA ILE 38 HA ILE 38 -12.294 0.429 -3.936 272 HB ILE 38 HB ILE 38 -10.353 -0.495 -2.612 273 HG12 ILE 38 HG12 ILE 38 -8.768 1.354 -4.412 274 HG13 ILE 38 HG11 ILE 38 -8.879 1.442 -2.660 275 HG21 ILE 38 HG21 ILE 38 -9.380 -1.697 -4.486 276 HG22 ILE 38 HG22 ILE 38 -10.131 -0.553 -5.605 277 HG23 ILE 38 HG23 ILE 38 -11.138 -1.595 -4.596 278 HD11 ILE 38 HD11 ILE 38 -7.604 -0.773 -4.248 279 HD12 ILE 38 HD12 ILE 38 -7.706 -0.692 -2.489 280 HD13 ILE 38 HD13 ILE 38 -6.761 0.506 -3.375 281 H GLY 39 HN GLY 39 -12.105 3.372 -3.552 282 HA2 GLY 39 HA2 GLY 39 -12.647 4.884 -1.921 283 HA3 GLY 39 HA1 GLY 39 -13.134 3.502 -0.948 284 H TYR 40 HN TYR 40 -9.901 4.062 -2.169 285 HA TYR 40 HA TYR 40 -8.935 4.026 0.583 286 HB2 TYR 40 HB2 TYR 40 -8.193 2.640 -1.688 287 HB3 TYR 40 HB1 TYR 40 -7.033 3.954 -1.638 288 HD1 TYR 40 HD1 TYR 40 -8.413 1.156 0.355 289 HD2 TYR 40 HD2 TYR 40 -5.212 3.872 -0.237 290 HE1 TYR 40 HE1 TYR 40 -7.085 -0.059 2.021 291 HE2 TYR 40 HE2 TYR 40 -3.869 2.683 1.410 292 HH TYR 40 HH TYR 40 -4.941 -0.367 2.774 293 H ASP 41 HN ASP 41 -8.981 6.117 1.255 294 HA ASP 41 HA ASP 41 -8.309 8.262 -0.574 295 HB2 ASP 41 HB2 ASP 41 -9.012 8.363 2.376 296 HB3 ASP 41 HB1 ASP 41 -8.739 9.767 1.360 297 H SER 42 HN SER 42 -6.837 9.987 0.291 298 HA SER 42 HA SER 42 -4.201 9.278 0.455 299 HB2 SER 42 HB2 SER 42 -3.938 11.599 1.388 300 HB3 SER 42 HB1 SER 42 -4.961 11.504 -0.060 301 H LEU 43 HN LEU 43 -6.516 9.703 3.029 302 HA LEU 43 HA LEU 43 -4.768 9.627 5.236 303 HB2 LEU 43 HB2 LEU 43 -7.200 10.424 5.152 304 HB3 LEU 43 HB1 LEU 43 -7.660 8.741 5.233 305 HG LEU 43 HG LEU 43 -7.836 9.993 7.396 306 HD11 LEU 43 HD11 LEU 43 -5.905 7.683 7.449 307 HD12 LEU 43 HD12 LEU 43 -7.662 7.570 7.464 308 HD13 LEU 43 HD13 LEU 43 -6.816 8.304 8.827 309 HD21 LEU 43 HD21 LEU 43 -5.790 10.493 8.633 310 HD22 LEU 43 HD22 LEU 43 -5.911 11.428 7.142 311 HD23 LEU 43 HD23 LEU 43 -4.832 10.037 7.224 312 H ALA 44 HN ALA 44 -6.629 7.069 3.597 313 HA ALA 44 HA ALA 44 -5.732 4.981 5.264 314 HB1 ALA 44 HB1 ALA 44 -6.492 3.475 3.499 315 HB2 ALA 44 HB2 ALA 44 -6.610 4.832 2.379 316 HB3 ALA 44 HB3 ALA 44 -7.673 4.755 3.784 317 H LEU 45 HN LEU 45 -4.440 6.443 2.358 318 HA LEU 45 HA LEU 45 -2.377 4.623 1.854 319 HB2 LEU 45 HB2 LEU 45 -2.506 7.572 1.258 320 HB3 LEU 45 HB1 LEU 45 -1.218 6.527 0.698 321 HG LEU 45 HG LEU 45 -4.133 6.349 -0.075 322 HD11 LEU 45 HD11 LEU 45 -3.313 6.977 -2.289 323 HD12 LEU 45 HD12 LEU 45 -1.679 7.110 -1.643 324 HD13 LEU 45 HD13 LEU 45 -2.936 8.221 -1.091 325 HD21 LEU 45 HD21 LEU 45 -1.778 4.694 -0.984 326 HD22 LEU 45 HD22 LEU 45 -3.424 4.601 -1.617 327 HD23 LEU 45 HD23 LEU 45 -3.096 4.135 0.047 328 H MET 46 HN MET 46 -2.369 7.526 3.913 329 HA MET 46 HA MET 46 0.388 7.319 4.539 330 HB2 MET 46 HB2 MET 46 0.069 8.904 6.349 331 HB3 MET 46 HB1 MET 46 -0.886 9.430 4.975 332 HG2 MET 46 HG2 MET 46 -2.906 8.615 6.029 333 HG3 MET 46 HG1 MET 46 -1.973 7.951 7.361 334 HE1 MET 46 HE1 MET 46 -0.688 11.220 9.139 335 HE2 MET 46 HE2 MET 46 0.155 10.280 7.910 336 HE3 MET 46 HE3 MET 46 -0.730 9.457 9.195 337 H GLU 47 HN GLU 47 -2.453 5.875 6.018 338 HA GLU 47 HA GLU 47 -1.201 4.869 8.321 339 HB2 GLU 47 HB2 GLU 47 -3.543 3.716 6.788 340 HB3 GLU 47 HB1 GLU 47 -3.096 3.295 8.435 341 HG2 GLU 47 HG2 GLU 47 -3.982 6.008 7.492 342 HG3 GLU 47 HG1 GLU 47 -4.989 4.840 8.345 343 H THR 48 HN THR 48 -1.825 3.419 5.156 344 HA THR 48 HA THR 48 -0.621 0.941 5.566 345 HB THR 48 HB THR 48 -0.868 2.565 3.032 346 HG1 THR 48 HG1 THR 48 -2.620 1.221 4.674 347 HG21 THR 48 HG21 THR 48 0.620 0.601 2.823 348 HG22 THR 48 HG22 THR 48 -0.869 0.392 1.909 349 HG23 THR 48 HG23 THR 48 -0.665 -0.432 3.458 350 H ALA 49 HN ALA 49 0.685 3.913 4.078 351 HA ALA 49 HA ALA 49 3.206 3.004 3.403 352 HB1 ALA 49 HB1 ALA 49 2.424 5.798 4.236 353 HB2 ALA 49 HB2 ALA 49 2.254 5.120 2.617 354 HB3 ALA 49 HB3 ALA 49 3.858 5.351 3.313 355 H ALA 50 HN ALA 50 2.235 4.766 6.342 356 HA ALA 50 HA ALA 50 4.731 4.849 7.557 357 HB1 ALA 50 HB1 ALA 50 3.551 5.355 9.600 358 HB2 ALA 50 HB2 ALA 50 2.044 4.775 8.893 359 HB3 ALA 50 HB3 ALA 50 2.831 6.209 8.237 360 H ARG 51 HN ARG 51 2.255 2.376 7.660 361 HA ARG 51 HA ARG 51 3.402 0.901 9.803 362 HB2 ARG 51 HB2 ARG 51 1.006 0.748 9.129 363 HB3 ARG 51 HB1 ARG 51 1.497 -0.084 7.662 364 HG2 ARG 51 HG2 ARG 51 2.360 -1.937 8.967 365 HG3 ARG 51 HG1 ARG 51 1.966 -1.092 10.463 366 HD2 ARG 51 HD2 ARG 51 -0.005 -2.002 8.363 367 HD3 ARG 51 HD1 ARG 51 0.282 -2.793 9.910 368 HE ARG 51 HE ARG 51 -0.602 0.009 9.924 369 HH11 ARG 51 HH11 ARG 51 -1.336 -3.364 10.669 370 HH12 ARG 51 HH12 ARG 51 -2.841 -3.029 11.388 371 HH21 ARG 51 HH21 ARG 51 -2.596 0.510 10.979 372 HH22 ARG 51 HH22 ARG 51 -3.586 -0.757 11.549 373 H LEU 52 HN LEU 52 3.837 0.877 6.342 374 HA LEU 52 HA LEU 52 5.438 -1.512 6.383 375 HB2 LEU 52 HB2 LEU 52 4.915 0.526 4.232 376 HB3 LEU 52 HB1 LEU 52 5.991 -0.837 4.008 377 HG LEU 52 HG LEU 52 3.059 -1.072 4.676 378 HD11 LEU 52 HD11 LEU 52 4.498 -1.423 2.048 379 HD12 LEU 52 HD12 LEU 52 3.377 -0.121 2.449 380 HD13 LEU 52 HD13 LEU 52 2.797 -1.785 2.344 381 HD21 LEU 52 HD21 LEU 52 4.379 -2.961 5.438 382 HD22 LEU 52 HD22 LEU 52 5.091 -3.129 3.835 383 HD23 LEU 52 HD23 LEU 52 3.367 -3.419 4.068 384 H GLU 53 HN GLU 53 6.004 1.944 6.352 385 HA GLU 53 HA GLU 53 8.750 2.000 5.915 386 HB2 GLU 53 HB2 GLU 53 7.104 3.779 7.700 387 HB3 GLU 53 HB1 GLU 53 8.760 4.103 7.220 388 HG2 GLU 53 HG2 GLU 53 8.106 4.275 4.930 389 HG3 GLU 53 HG1 GLU 53 6.443 3.848 5.325 390 H SER 54 HN SER 54 7.040 1.854 9.024 391 HA SER 54 HA SER 54 9.339 1.742 10.606 392 HB2 SER 54 HB2 SER 54 7.665 0.906 12.321 393 HB3 SER 54 HB1 SER 54 7.301 2.461 11.566 394 HG SER 54 HG SER 54 5.463 1.190 11.546 395 H ARG 55 HN ARG 55 7.165 -0.768 9.460 396 HA ARG 55 HA ARG 55 8.377 -2.931 10.776 397 HB2 ARG 55 HB2 ARG 55 6.107 -3.086 10.024 398 HB3 ARG 55 HB1 ARG 55 6.589 -2.851 8.354 399 HG2 ARG 55 HG2 ARG 55 7.745 -5.018 8.401 400 HG3 ARG 55 HG1 ARG 55 7.220 -5.241 10.071 401 HD2 ARG 55 HD2 ARG 55 4.922 -5.308 9.417 402 HD3 ARG 55 HD1 ARG 55 5.316 -4.799 7.775 403 HE ARG 55 HE ARG 55 6.392 -7.320 8.798 404 HH11 ARG 55 HH11 ARG 55 3.947 -5.751 6.709 405 HH12 ARG 55 HH12 ARG 55 4.017 -7.012 5.554 406 HH21 ARG 55 HH21 ARG 55 6.276 -9.114 7.185 407 HH22 ARG 55 HH22 ARG 55 5.268 -8.898 5.827 408 H TYR 56 HN TYR 56 8.910 -1.684 7.477 409 HA TYR 56 HA TYR 56 10.812 -3.842 7.067 410 HB2 TYR 56 HB2 TYR 56 9.578 -1.862 5.195 411 HB3 TYR 56 HB1 TYR 56 10.965 -2.840 4.729 412 HD1 TYR 56 HD2 TYR 56 10.738 -5.257 4.424 413 HD2 TYR 56 HD1 TYR 56 7.434 -2.847 5.568 414 HE1 TYR 56 HE2 TYR 56 9.227 -7.086 3.856 415 HE2 TYR 56 HE1 TYR 56 5.894 -4.651 4.992 416 HH TYR 56 HH TYR 56 6.945 -7.858 4.094 417 H GLY 57 HN GLY 57 10.902 -0.530 7.891 418 HA2 GLY 57 HA2 GLY 57 12.827 0.622 8.553 419 HA3 GLY 57 HA1 GLY 57 13.809 -0.646 7.815 420 H VAL 58 HN VAL 58 11.199 1.285 6.484 421 HA VAL 58 HA VAL 58 13.078 2.377 4.536 422 HB VAL 58 HB VAL 58 11.414 2.229 2.729 423 HG11 VAL 58 HG11 VAL 58 11.929 -0.431 4.015 424 HG12 VAL 58 HG12 VAL 58 13.010 0.430 2.910 425 HG13 VAL 58 HG13 VAL 58 11.449 -0.174 2.338 426 HG21 VAL 58 HG21 VAL 58 9.719 0.682 4.690 427 HG22 VAL 58 HG22 VAL 58 9.377 0.876 2.969 428 HG23 VAL 58 HG23 VAL 58 9.363 2.281 4.035 429 H SER 59 HN SER 59 11.952 4.272 3.309 430 HA SER 59 HA SER 59 10.119 5.730 5.039 431 HB2 SER 59 HB2 SER 59 12.658 6.910 3.833 432 HB3 SER 59 HB1 SER 59 11.478 7.766 4.822 433 HG SER 59 HG SER 59 12.065 6.264 6.561 434 H ILE 60 HN ILE 60 8.449 6.316 3.734 435 HA ILE 60 HA ILE 60 8.905 6.211 0.853 436 HB ILE 60 HB ILE 60 6.279 6.280 2.384 437 HG12 ILE 60 HG12 ILE 60 7.681 3.962 1.026 438 HG13 ILE 60 HG11 ILE 60 7.593 4.212 2.763 439 HG21 ILE 60 HG21 ILE 60 6.098 7.209 0.115 440 HG22 ILE 60 HG22 ILE 60 5.264 5.659 0.236 441 HG23 ILE 60 HG23 ILE 60 6.841 5.749 -0.544 442 HD11 ILE 60 HD11 ILE 60 5.172 3.949 2.678 443 HD12 ILE 60 HD12 ILE 60 5.997 2.540 2.004 444 HD13 ILE 60 HD13 ILE 60 5.255 3.726 0.931 445 HA PRO 61 HA PRO 61 8.944 10.700 1.082 446 HB2 PRO 61 HB2 PRO 61 9.240 10.428 -1.850 447 HB3 PRO 61 HB1 PRO 61 10.288 11.248 -0.689 448 HG2 PRO 61 HG2 PRO 61 11.039 8.963 -1.809 449 HG3 PRO 61 HG1 PRO 61 11.386 9.297 -0.101 450 HD2 PRO 61 HD2 PRO 61 9.202 7.618 -1.289 451 HD3 PRO 61 HD1 PRO 61 10.281 7.251 0.079 452 H ASP 62 HN ASP 62 7.602 12.335 0.466 453 HA ASP 62 HA ASP 62 4.870 11.850 0.215 454 HB2 ASP 62 HB2 ASP 62 6.426 14.383 -0.347 455 HB3 ASP 62 HB1 ASP 62 4.675 14.311 -0.377 456 H ASP 63 HN ASP 63 7.203 12.697 -2.258 457 HA ASP 63 HA ASP 63 5.248 13.055 -4.327 458 HB2 ASP 63 HB2 ASP 63 7.021 13.380 -5.849 459 HB3 ASP 63 HB1 ASP 63 7.637 14.002 -4.327 460 H VAL 64 HN VAL 64 6.878 10.351 -3.037 461 HA VAL 64 HA VAL 64 6.273 8.633 -5.265 462 HB VAL 64 HB VAL 64 7.236 7.931 -2.479 463 HG11 VAL 64 HG11 VAL 64 7.803 5.773 -3.482 464 HG12 VAL 64 HG12 VAL 64 7.088 6.298 -5.008 465 HG13 VAL 64 HG13 VAL 64 6.071 6.094 -3.580 466 HG21 VAL 64 HG21 VAL 64 8.843 9.297 -3.722 467 HG22 VAL 64 HG22 VAL 64 8.742 8.180 -5.084 468 HG23 VAL 64 HG23 VAL 64 9.421 7.642 -3.547 469 H ALA 65 HN ALA 65 5.210 8.886 -1.881 470 HA ALA 65 HA ALA 65 3.167 6.977 -2.016 471 HB1 ALA 65 HB1 ALA 65 3.302 9.421 -0.248 472 HB2 ALA 65 HB2 ALA 65 4.057 7.865 0.094 473 HB3 ALA 65 HB3 ALA 65 2.299 7.998 0.030 474 H GLY 66 HN GLY 66 3.184 10.361 -2.876 475 HA2 GLY 66 HA2 GLY 66 0.344 10.468 -3.270 476 HA3 GLY 66 HA1 GLY 66 1.508 11.716 -3.679 477 H ARG 67 HN ARG 67 2.891 9.237 -5.188 478 HA ARG 67 HA ARG 67 1.429 9.878 -7.667 479 HB2 ARG 67 HB2 ARG 67 3.366 9.307 -8.932 480 HB3 ARG 67 HB1 ARG 67 3.915 10.301 -7.592 481 HG2 ARG 67 HG2 ARG 67 4.748 8.379 -6.427 482 HG3 ARG 67 HG1 ARG 67 4.035 7.298 -7.624 483 HD2 ARG 67 HD2 ARG 67 6.391 7.495 -8.020 484 HD3 ARG 67 HD1 ARG 67 5.508 8.266 -9.329 485 HE ARG 67 HE ARG 67 6.378 9.988 -7.184 486 HH11 ARG 67 HH11 ARG 67 6.939 8.770 -10.474 487 HH12 ARG 67 HH12 ARG 67 8.150 9.901 -10.845 488 HH21 ARG 67 HH21 ARG 67 8.148 11.478 -7.669 489 HH22 ARG 67 HH22 ARG 67 8.875 11.440 -9.214 490 H VAL 68 HN VAL 68 1.769 7.359 -5.448 491 HA VAL 68 HA VAL 68 1.521 5.294 -7.440 492 HB VAL 68 HB VAL 68 1.495 3.669 -5.536 493 HG11 VAL 68 HG11 VAL 68 3.759 5.641 -5.511 494 HG12 VAL 68 HG12 VAL 68 3.579 4.263 -6.599 495 HG13 VAL 68 HG13 VAL 68 3.823 4.001 -4.870 496 HG21 VAL 68 HG21 VAL 68 0.514 5.067 -3.774 497 HG22 VAL 68 HG22 VAL 68 1.944 6.109 -3.805 498 HG23 VAL 68 HG23 VAL 68 2.089 4.427 -3.288 499 H ASP 69 HN ASP 69 -0.260 5.128 -8.416 500 HA ASP 69 HA ASP 69 -2.748 5.571 -6.958 501 HB2 ASP 69 HB2 ASP 69 -2.260 5.344 -9.920 502 HB3 ASP 69 HB1 ASP 69 -3.843 5.564 -9.186 503 H THR 70 HN THR 70 -0.914 3.044 -8.313 504 HA THR 70 HA THR 70 -3.066 1.219 -7.595 505 HB THR 70 HB THR 70 -1.935 -0.417 -9.189 506 HG1 THR 70 HG1 THR 70 -0.774 1.887 -10.348 507 HG21 THR 70 HG21 THR 70 -3.059 2.097 -10.428 508 HG22 THR 70 HG22 THR 70 -4.003 0.734 -9.826 509 HG23 THR 70 HG23 THR 70 -2.942 0.526 -11.220 510 HA PRO 71 HA PRO 71 -0.471 -0.270 -4.346 511 HB2 PRO 71 HB2 PRO 71 -1.360 -2.982 -5.194 512 HB3 PRO 71 HB1 PRO 71 -1.439 -2.223 -3.598 513 HG2 PRO 71 HG2 PRO 71 -3.632 -2.467 -5.053 514 HG3 PRO 71 HG1 PRO 71 -3.322 -0.972 -4.147 515 HD2 PRO 71 HD2 PRO 71 -3.006 -1.512 -7.070 516 HD3 PRO 71 HD1 PRO 71 -3.632 -0.068 -6.249 517 H ARG 72 HN ARG 72 -0.348 -1.859 -7.447 518 HA ARG 72 HA ARG 72 1.935 -3.404 -7.319 519 HB2 ARG 72 HB2 ARG 72 0.348 -3.251 -9.198 520 HB3 ARG 72 HB1 ARG 72 1.025 -1.687 -9.608 521 HG2 ARG 72 HG2 ARG 72 3.209 -2.796 -9.998 522 HG3 ARG 72 HG1 ARG 72 2.414 -4.352 -9.722 523 HD2 ARG 72 HD2 ARG 72 2.527 -3.807 -12.106 524 HD3 ARG 72 HD1 ARG 72 0.853 -3.887 -11.533 525 HE ARG 72 HE ARG 72 2.237 -1.354 -11.546 526 HH11 ARG 72 HH11 ARG 72 -0.334 -3.373 -12.979 527 HH12 ARG 72 HH12 ARG 72 -1.116 -2.090 -13.739 528 HH21 ARG 72 HH21 ARG 72 1.119 0.415 -12.586 529 HH22 ARG 72 HH22 ARG 72 -0.288 0.137 -13.506 530 H GLU 73 HN GLU 73 1.671 0.041 -8.108 531 HA GLU 73 HA GLU 73 4.429 0.428 -8.632 532 HB2 GLU 73 HB2 GLU 73 2.422 2.523 -7.823 533 HB3 GLU 73 HB1 GLU 73 3.887 2.752 -8.765 534 HG2 GLU 73 HG2 GLU 73 1.442 1.222 -9.629 535 HG3 GLU 73 HG1 GLU 73 1.897 2.830 -10.165 536 H LEU 74 HN LEU 74 2.431 0.685 -5.802 537 HA LEU 74 HA LEU 74 4.341 1.927 -4.094 538 HB2 LEU 74 HB2 LEU 74 1.848 1.893 -3.726 539 HB3 LEU 74 HB1 LEU 74 1.949 0.187 -3.381 540 HG LEU 74 HG LEU 74 1.644 1.684 -1.387 541 HD11 LEU 74 HD11 LEU 74 4.134 0.011 -1.354 542 HD12 LEU 74 HD12 LEU 74 2.486 -0.554 -1.072 543 HD13 LEU 74 HD13 LEU 74 3.240 0.570 0.062 544 HD21 LEU 74 HD21 LEU 74 3.050 3.537 -2.074 545 HD22 LEU 74 HD22 LEU 74 4.478 2.508 -1.994 546 HD23 LEU 74 HD23 LEU 74 3.587 2.898 -0.521 547 H LEU 75 HN LEU 75 3.369 -1.395 -4.733 548 HA LEU 75 HA LEU 75 5.017 -2.876 -3.056 549 HB2 LEU 75 HB2 LEU 75 3.245 -3.809 -4.480 550 HB3 LEU 75 HB1 LEU 75 4.166 -3.404 -5.910 551 HG LEU 75 HG LEU 75 5.906 -5.049 -5.135 552 HD11 LEU 75 HD11 LEU 75 3.745 -5.833 -3.201 553 HD12 LEU 75 HD12 LEU 75 5.309 -5.126 -2.792 554 HD13 LEU 75 HD13 LEU 75 5.230 -6.730 -3.520 555 HD21 LEU 75 HD21 LEU 75 4.631 -6.992 -5.884 556 HD22 LEU 75 HD22 LEU 75 4.299 -5.577 -6.884 557 HD23 LEU 75 HD23 LEU 75 3.132 -6.091 -5.668 558 H ASP 76 HN ASP 76 5.586 -1.699 -6.320 559 HA ASP 76 HA ASP 76 8.199 -2.503 -6.722 560 HB2 ASP 76 HB2 ASP 76 6.919 -1.668 -8.553 561 HB3 ASP 76 HB1 ASP 76 6.725 -0.100 -7.781 562 H LEU 77 HN LEU 77 7.046 0.530 -5.262 563 HA LEU 77 HA LEU 77 9.626 1.613 -4.921 564 HB2 LEU 77 HB2 LEU 77 7.570 2.985 -4.867 565 HB3 LEU 77 HB1 LEU 77 7.095 2.223 -3.372 566 HG LEU 77 HG LEU 77 8.006 4.564 -3.203 567 HD11 LEU 77 HD11 LEU 77 9.427 2.489 -1.558 568 HD12 LEU 77 HD12 LEU 77 7.861 3.222 -1.209 569 HD13 LEU 77 HD13 LEU 77 9.323 4.209 -1.179 570 HD21 LEU 77 HD21 LEU 77 10.631 3.212 -3.806 571 HD22 LEU 77 HD22 LEU 77 10.444 4.869 -3.226 572 HD23 LEU 77 HD23 LEU 77 9.810 4.411 -4.805 573 H ILE 78 HN ILE 78 7.586 -0.331 -2.818 574 HA ILE 78 HA ILE 78 9.268 -0.188 -0.559 575 HB ILE 78 HB ILE 78 7.333 -2.403 -1.342 576 HG12 ILE 78 HG12 ILE 78 6.217 -0.243 -1.137 577 HG13 ILE 78 HG11 ILE 78 5.766 -1.295 0.196 578 HG21 ILE 78 HG21 ILE 78 8.556 -1.781 1.349 579 HG22 ILE 78 HG22 ILE 78 8.927 -3.180 0.340 580 HG23 ILE 78 HG23 ILE 78 7.317 -2.997 1.039 581 HD11 ILE 78 HD11 ILE 78 7.766 0.951 0.309 582 HD12 ILE 78 HD12 ILE 78 7.322 -0.099 1.655 583 HD13 ILE 78 HD13 ILE 78 6.123 0.986 0.948 584 H ASN 79 HN ASN 79 8.942 -2.678 -3.081 585 HA ASN 79 HA ASN 79 11.072 -4.281 -2.192 586 HB2 ASN 79 HB2 ASN 79 9.770 -4.021 -4.899 587 HB3 ASN 79 HB1 ASN 79 11.105 -5.133 -4.619 588 HD21 ASN 79 HD21 ASN 79 8.275 -5.678 -5.316 589 HD22 ASN 79 HD22 ASN 79 7.736 -6.710 -4.043 590 H GLY 80 HN GLY 80 11.059 -1.457 -4.212 591 HA2 GLY 80 HA2 GLY 80 13.744 -1.652 -5.111 592 HA3 GLY 80 HA1 GLY 80 12.785 -0.178 -5.041 593 H ALA 81 HN ALA 81 12.236 0.005 -2.383 594 HA ALA 81 HA ALA 81 14.688 1.043 -1.374 595 HB1 ALA 81 HB1 ALA 81 13.379 1.707 0.578 596 HB2 ALA 81 HB2 ALA 81 12.038 0.701 0.030 597 HB3 ALA 81 HB3 ALA 81 12.524 2.109 -0.912 598 H LEU 82 HN LEU 82 12.977 -1.936 -0.982 599 HA LEU 82 HA LEU 82 14.293 -2.791 1.376 600 HB2 LEU 82 HB2 LEU 82 12.855 -4.373 -0.738 601 HB3 LEU 82 HB1 LEU 82 13.463 -5.062 0.756 602 HG LEU 82 HG LEU 82 11.356 -2.926 0.514 603 HD11 LEU 82 HD11 LEU 82 11.158 -5.801 1.338 604 HD12 LEU 82 HD12 LEU 82 10.530 -5.085 -0.149 605 HD13 LEU 82 HD13 LEU 82 9.859 -4.614 1.410 606 HD21 LEU 82 HD21 LEU 82 11.093 -3.186 2.920 607 HD22 LEU 82 HD22 LEU 82 12.703 -2.598 2.495 608 HD23 LEU 82 HD23 LEU 82 12.472 -4.286 2.952 609 H ALA 83 HN ALA 83 15.321 -2.641 -1.856 610 HA ALA 83 HA ALA 83 17.399 -4.565 -1.693 611 HB1 ALA 83 HB1 ALA 83 16.690 -3.591 -3.836 612 HB2 ALA 83 HB2 ALA 83 18.416 -3.344 -3.570 613 HB3 ALA 83 HB3 ALA 83 17.285 -2.015 -3.316 614 H GLU 84 HN GLU 84 17.000 -1.300 -0.639 615 HA GLU 84 HA GLU 84 19.734 -0.935 0.242 616 HB2 GLU 84 HB2 GLU 84 17.241 0.712 0.724 617 HB3 GLU 84 HB1 GLU 84 18.874 1.194 1.152 618 HG2 GLU 84 HG2 GLU 84 17.877 0.694 -1.639 619 HG3 GLU 84 HG1 GLU 84 18.082 2.276 -0.883 620 H ALA 85 HN ALA 85 16.537 -1.463 1.610 621 HA ALA 85 HA ALA 85 17.384 -1.512 4.324 622 HB1 ALA 85 HB1 ALA 85 15.077 -0.939 3.700 623 HB2 ALA 85 HB2 ALA 85 15.127 -2.297 4.826 624 HB3 ALA 85 HB3 ALA 85 14.834 -2.583 3.113 625 H ALA 86 HN ALA 86 18.932 -2.920 4.663 626 HA ALA 86 HA ALA 86 18.249 -5.727 4.609 627 HB1 ALA 86 HB1 ALA 86 20.456 -6.306 3.657 628 HB2 ALA 86 HB2 ALA 86 20.785 -4.590 3.405 629 HB3 ALA 86 HB3 ALA 86 19.481 -5.380 2.515 630 H28 SXH 87 H28B SXH 87 -4.079 12.132 3.631 631 H28A SXH 87 H28A SXH 87 -4.735 13.520 4.492 632 H30 SXH 87 H30C SXH 87 -2.826 13.275 6.017 633 H30A SXH 87 H30A SXH 87 -1.171 13.363 5.413 634 H30B SXH 87 H30B SXH 87 -2.174 11.965 5.030 635 H31 SXH 87 H31A SXH 87 -2.150 13.790 1.849 636 H31A SXH 87 H31C SXH 87 -0.763 13.713 2.934 637 H31B SXH 87 H31B SXH 87 -1.739 12.271 2.644 638 H32 SXH 87 H32A SXH 87 -3.254 15.565 4.988 639 HO33 SXH 87 H33A SXH 87 -3.772 15.187 2.534 640 HN36 SXH 87 H36A SXH 87 -1.257 15.334 6.166 641 H37 SXH 87 H37A SXH 87 1.337 15.882 5.103 642 H37A SXH 87 H37B SXH 87 0.617 17.336 5.783 643 H38 SXH 87 H38A SXH 87 2.029 16.245 7.405 644 H38A SXH 87 H38B SXH 87 0.343 16.221 7.943 645 HN41 SXH 87 H41A SXH 87 1.680 14.066 5.519 646 H42 SXH 87 H42A SXH 87 2.446 11.863 7.108 647 H42A SXH 87 H42B SXH 87 0.741 11.718 6.720 648 H43 SXH 87 H43A SXH 87 1.296 11.924 4.302 649 H43A SXH 87 H43B SXH 87 1.909 10.489 5.119 650 H2 SXH 87 H2A SXH 87 1.528 11.539 2.924 651 H2A SXH 87 H2B SXH 87 2.089 10.113 2.051 652 H3 SXH 87 H3A SXH 87 2.931 11.471 0.259 653 H3A SXH 87 H3B SXH 87 2.598 12.947 1.159 654 H4 SXH 87 H4B SXH 87 0.199 12.497 1.059 655 H4A SXH 87 H4A SXH 87 0.900 12.553 -0.556 656 H5 SXH 87 H5A SXH 87 0.242 10.039 1.001 657 H5A SXH 87 H5B SXH 87 0.928 10.107 -0.636 658 H6 SXH 87 H6C SXH 87 -1.069 11.290 -1.406 659 H6A SXH 87 H6A SXH 87 -1.733 11.238 0.226 660 H6B SXH 87 H6B SXH 87 -1.495 9.742 -0.677 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 20.283 -11.702 1.923 2 H2 MET 1 HT2 MET 1 20.253 -12.616 0.515 3 H3 MET 1 HT3 MET 1 20.294 -13.409 2.011 4 HA MET 1 HA MET 1 18.115 -13.511 1.067 5 HB2 MET 1 HB2 MET 1 18.348 -11.581 3.376 6 HB3 MET 1 HB1 MET 1 16.814 -12.213 2.808 7 HG2 MET 1 HG2 MET 1 19.092 -13.867 3.861 8 HG3 MET 1 HG1 MET 1 17.682 -13.369 4.791 9 HE1 MET 1 HE1 MET 1 17.126 -15.849 5.470 10 HE2 MET 1 HE2 MET 1 18.570 -16.380 4.611 11 HE3 MET 1 HE3 MET 1 17.025 -17.177 4.316 12 H ALA 2 HN ALA 2 16.569 -12.644 -0.132 13 HA ALA 2 HA ALA 2 16.897 -9.836 -0.888 14 HB1 ALA 2 HB1 ALA 2 15.591 -12.095 -2.428 15 HB2 ALA 2 HB2 ALA 2 17.166 -11.385 -2.783 16 HB3 ALA 2 HB3 ALA 2 15.702 -10.420 -2.965 17 H THR 3 HN THR 3 15.697 -8.902 0.668 18 HA THR 3 HA THR 3 13.233 -9.893 1.625 19 HB THR 3 HB THR 3 14.282 -7.086 1.666 20 HG1 THR 3 HG1 THR 3 15.883 -8.180 2.597 21 HG21 THR 3 HG21 THR 3 12.452 -8.584 3.559 22 HG22 THR 3 HG22 THR 3 11.957 -7.328 2.425 23 HG23 THR 3 HG23 THR 3 13.011 -6.925 3.783 24 H LEU 4 HN LEU 4 11.613 -10.104 0.261 25 HA LEU 4 HA LEU 4 10.873 -7.840 -1.440 26 HB2 LEU 4 HB2 LEU 4 10.814 -10.755 -2.247 27 HB3 LEU 4 HB1 LEU 4 10.112 -9.445 -3.173 28 HG LEU 4 HG LEU 4 13.058 -9.777 -2.582 29 HD11 LEU 4 HD11 LEU 4 12.249 -11.473 -4.121 30 HD12 LEU 4 HD12 LEU 4 13.259 -10.299 -4.963 31 HD13 LEU 4 HD13 LEU 4 11.503 -10.229 -5.122 32 HD21 LEU 4 HD21 LEU 4 11.605 -7.796 -4.338 33 HD22 LEU 4 HD22 LEU 4 13.354 -7.969 -4.218 34 HD23 LEU 4 HD23 LEU 4 12.423 -7.432 -2.818 35 H LEU 5 HN LEU 5 8.854 -7.298 -1.295 36 HA LEU 5 HA LEU 5 7.136 -8.809 0.505 37 HB2 LEU 5 HB2 LEU 5 7.775 -6.326 0.809 38 HB3 LEU 5 HB1 LEU 5 6.829 -6.015 -0.621 39 HG LEU 5 HG LEU 5 5.665 -7.149 1.934 40 HD11 LEU 5 HD11 LEU 5 6.582 -4.928 2.319 41 HD12 LEU 5 HD12 LEU 5 4.821 -4.892 2.326 42 HD13 LEU 5 HD13 LEU 5 5.710 -4.313 0.915 43 HD21 LEU 5 HD21 LEU 5 4.390 -5.851 -0.455 44 HD22 LEU 5 HD22 LEU 5 3.560 -6.441 0.987 45 HD23 LEU 5 HD23 LEU 5 4.372 -7.575 -0.094 46 H THR 6 HN THR 6 5.521 -9.983 -0.424 47 HA THR 6 HA THR 6 5.036 -9.613 -3.257 48 HB THR 6 HB THR 6 3.921 -11.898 -2.950 49 HG1 THR 6 HG1 THR 6 3.795 -12.537 -0.969 50 HG21 THR 6 HG21 THR 6 6.087 -13.076 -2.975 51 HG22 THR 6 HG22 THR 6 6.886 -11.621 -2.372 52 HG23 THR 6 HG23 THR 6 6.146 -11.624 -3.973 53 H THR 7 HN THR 7 2.710 -10.189 -3.915 54 HA THR 7 HA THR 7 1.023 -8.265 -2.934 55 HB THR 7 HB THR 7 -0.837 -9.654 -4.113 56 HG1 THR 7 HG1 THR 7 1.173 -11.414 -4.256 57 HG21 THR 7 HG21 THR 7 1.548 -8.511 -5.562 58 HG22 THR 7 HG22 THR 7 0.139 -7.615 -4.984 59 HG23 THR 7 HG23 THR 7 -0.038 -8.796 -6.278 60 H ASP 8 HN ASP 8 1.123 -11.598 -1.863 61 HA ASP 8 HA ASP 8 -1.224 -11.545 -0.303 62 HB2 ASP 8 HB2 ASP 8 -0.262 -13.461 0.973 63 HB3 ASP 8 HB1 ASP 8 -0.137 -13.677 -0.764 64 H ASP 9 HN ASP 9 2.056 -10.609 0.498 65 HA ASP 9 HA ASP 9 1.591 -10.052 3.260 66 HB2 ASP 9 HB2 ASP 9 3.864 -10.460 2.138 67 HB3 ASP 9 HB1 ASP 9 3.730 -8.835 1.496 68 H LEU 10 HN LEU 10 1.674 -8.179 0.303 69 HA LEU 10 HA LEU 10 1.363 -5.603 1.412 70 HB2 LEU 10 HB2 LEU 10 2.181 -6.113 -0.896 71 HB3 LEU 10 HB1 LEU 10 0.538 -6.530 -1.340 72 HG LEU 10 HG LEU 10 -0.132 -4.183 -0.795 73 HD11 LEU 10 HD11 LEU 10 1.676 -3.611 0.718 74 HD12 LEU 10 HD12 LEU 10 1.615 -2.480 -0.633 75 HD13 LEU 10 HD13 LEU 10 2.843 -3.742 -0.598 76 HD21 LEU 10 HD21 LEU 10 0.278 -4.878 -3.089 77 HD22 LEU 10 HD22 LEU 10 1.996 -4.524 -2.908 78 HD23 LEU 10 HD23 LEU 10 0.814 -3.216 -2.837 79 H ARG 11 HN ARG 11 -0.959 -7.873 0.010 80 HA ARG 11 HA ARG 11 -3.280 -6.411 0.169 81 HB2 ARG 11 HB2 ARG 11 -3.099 -8.619 -0.893 82 HB3 ARG 11 HB1 ARG 11 -2.913 -9.352 0.687 83 HG2 ARG 11 HG2 ARG 11 -5.148 -8.810 1.295 84 HG3 ARG 11 HG1 ARG 11 -5.360 -7.832 -0.164 85 HD2 ARG 11 HD2 ARG 11 -6.391 -10.041 -0.376 86 HD3 ARG 11 HD1 ARG 11 -5.105 -9.785 -1.550 87 HE ARG 11 HE ARG 11 -4.486 -11.184 0.934 88 HH11 ARG 11 HH11 ARG 11 -4.918 -11.300 -2.602 89 HH12 ARG 11 HH12 ARG 11 -4.312 -12.888 -2.749 90 HH21 ARG 11 HH21 ARG 11 -3.599 -13.362 0.692 91 HH22 ARG 11 HH22 ARG 11 -3.639 -14.105 -0.840 92 H ARG 12 HN ARG 12 -1.851 -8.489 2.618 93 HA ARG 12 HA ARG 12 -3.735 -8.112 4.631 94 HB2 ARG 12 HB2 ARG 12 -0.840 -8.811 4.677 95 HB3 ARG 12 HB1 ARG 12 -1.764 -8.630 6.160 96 HG2 ARG 12 HG2 ARG 12 -3.251 -10.397 5.502 97 HG3 ARG 12 HG1 ARG 12 -2.441 -10.529 3.933 98 HD2 ARG 12 HD2 ARG 12 -1.751 -12.212 5.671 99 HD3 ARG 12 HD1 ARG 12 -0.444 -11.292 4.922 100 HE ARG 12 HE ARG 12 -1.570 -10.458 7.495 101 HH11 ARG 12 HH11 ARG 12 1.094 -11.747 5.608 102 HH12 ARG 12 HH12 ARG 12 2.338 -11.275 6.666 103 HH21 ARG 12 HH21 ARG 12 0.141 -9.793 9.078 104 HH22 ARG 12 HH22 ARG 12 1.771 -10.145 8.695 105 H ALA 13 HN ALA 13 -0.774 -6.309 3.936 106 HA ALA 13 HA ALA 13 -0.865 -4.658 6.202 107 HB1 ALA 13 HB1 ALA 13 0.335 -4.037 3.496 108 HB2 ALA 13 HB2 ALA 13 1.143 -4.894 4.809 109 HB3 ALA 13 HB3 ALA 13 0.698 -3.200 5.007 110 H LEU 14 HN LEU 14 -2.141 -4.120 2.883 111 HA LEU 14 HA LEU 14 -3.279 -1.651 3.406 112 HB2 LEU 14 HB2 LEU 14 -3.661 -3.810 1.391 113 HB3 LEU 14 HB1 LEU 14 -4.761 -2.457 1.431 114 HG LEU 14 HG LEU 14 -2.973 -2.377 -0.234 115 HD11 LEU 14 HD11 LEU 14 -2.979 -0.130 1.802 116 HD12 LEU 14 HD12 LEU 14 -4.122 -0.323 0.473 117 HD13 LEU 14 HD13 LEU 14 -2.429 0.039 0.135 118 HD21 LEU 14 HD21 LEU 14 -0.712 -1.612 0.415 119 HD22 LEU 14 HD22 LEU 14 -1.085 -3.240 0.982 120 HD23 LEU 14 HD23 LEU 14 -1.145 -1.879 2.103 121 H VAL 15 HN VAL 15 -4.755 -4.920 3.416 122 HA VAL 15 HA VAL 15 -7.344 -3.882 3.883 123 HB VAL 15 HB VAL 15 -6.771 -6.089 2.744 124 HG11 VAL 15 HG11 VAL 15 -6.730 -8.117 4.092 125 HG12 VAL 15 HG12 VAL 15 -6.627 -7.126 5.548 126 HG13 VAL 15 HG13 VAL 15 -5.333 -7.070 4.349 127 HG21 VAL 15 HG21 VAL 15 -8.979 -6.109 4.792 128 HG22 VAL 15 HG22 VAL 15 -8.857 -7.203 3.414 129 HG23 VAL 15 HG23 VAL 15 -9.070 -5.472 3.150 130 H GLU 16 HN GLU 16 -4.858 -4.745 6.153 131 HA GLU 16 HA GLU 16 -6.751 -4.841 8.340 132 HB2 GLU 16 HB2 GLU 16 -3.736 -4.727 8.421 133 HB3 GLU 16 HB1 GLU 16 -4.782 -4.979 9.811 134 HG2 GLU 16 HG2 GLU 16 -5.612 -7.045 8.746 135 HG3 GLU 16 HG1 GLU 16 -4.434 -6.800 7.456 136 H SER 17 HN SER 17 -4.939 -2.486 6.695 137 HA SER 17 HA SER 17 -5.173 -0.535 8.797 138 HB2 SER 17 HB2 SER 17 -4.327 -0.241 5.897 139 HB3 SER 17 HB1 SER 17 -4.125 0.979 7.162 140 HG SER 17 HG SER 17 -2.715 -1.339 6.657 141 H ALA 18 HN ALA 18 -6.688 -1.351 5.723 142 HA ALA 18 HA ALA 18 -9.203 -0.320 6.556 143 HB1 ALA 18 HB1 ALA 18 -9.486 1.186 4.651 144 HB2 ALA 18 HB2 ALA 18 -7.823 0.854 4.165 145 HB3 ALA 18 HB3 ALA 18 -8.139 1.726 5.671 146 H GLY 19 HN GLY 19 -10.410 -1.963 6.004 147 HA2 GLY 19 HA2 GLY 19 -9.853 -3.313 3.434 148 HA3 GLY 19 HA1 GLY 19 -10.328 -4.200 4.881 149 H GLU 20 HN GLU 20 -12.293 -2.627 5.873 150 HA GLU 20 HA GLU 20 -14.329 -3.060 3.862 151 HB2 GLU 20 HB2 GLU 20 -14.651 -2.379 6.803 152 HB3 GLU 20 HB1 GLU 20 -15.963 -2.720 5.694 153 HG2 GLU 20 HG2 GLU 20 -15.636 -4.658 7.024 154 HG3 GLU 20 HG1 GLU 20 -15.024 -5.033 5.423 155 H THR 21 HN THR 21 -13.600 -1.330 2.601 156 HA THR 21 HA THR 21 -14.089 1.335 3.662 157 HB THR 21 HB THR 21 -12.871 1.988 1.528 158 HG1 THR 21 HG1 THR 21 -11.685 0.133 0.576 159 HG21 THR 21 HG21 THR 21 -10.659 1.320 2.383 160 HG22 THR 21 HG22 THR 21 -11.424 0.118 3.423 161 HG23 THR 21 HG23 THR 21 -11.710 1.836 3.703 162 H ASP 22 HN ASP 22 -14.161 1.055 0.322 163 HA ASP 22 HA ASP 22 -17.030 1.612 0.186 164 HB2 ASP 22 HB2 ASP 22 -14.798 1.714 -1.834 165 HB3 ASP 22 HB1 ASP 22 -16.481 1.936 -2.277 166 H GLY 23 HN GLY 23 -14.710 -0.808 -0.387 167 HA2 GLY 23 HA2 GLY 23 -16.631 -2.831 -0.685 168 HA3 GLY 23 HA1 GLY 23 -15.848 -2.459 -2.226 169 H THR 24 HN THR 24 -15.692 -4.607 -0.003 170 HA THR 24 HA THR 24 -12.864 -4.464 0.562 171 HB THR 24 HB THR 24 -14.319 -5.255 2.381 172 HG1 THR 24 HG1 THR 24 -12.509 -7.141 1.319 173 HG21 THR 24 HG21 THR 24 -16.064 -6.367 1.057 174 HG22 THR 24 HG22 THR 24 -15.414 -7.457 2.286 175 HG23 THR 24 HG23 THR 24 -14.920 -7.630 0.604 176 H ASP 25 HN ASP 25 -13.480 -4.606 -2.129 177 HA ASP 25 HA ASP 25 -13.070 -7.240 -3.186 178 HB2 ASP 25 HB2 ASP 25 -14.214 -5.434 -4.455 179 HB3 ASP 25 HB1 ASP 25 -12.701 -4.540 -4.519 180 H LEU 26 HN LEU 26 -11.194 -4.990 -1.722 181 HA LEU 26 HA LEU 26 -8.596 -5.259 -2.720 182 HB2 LEU 26 HB2 LEU 26 -9.293 -3.601 -1.064 183 HB3 LEU 26 HB1 LEU 26 -9.616 -4.862 0.097 184 HG LEU 26 HG LEU 26 -7.199 -5.351 0.223 185 HD11 LEU 26 HD11 LEU 26 -6.922 -2.977 -1.607 186 HD12 LEU 26 HD12 LEU 26 -6.556 -4.651 -2.018 187 HD13 LEU 26 HD13 LEU 26 -5.603 -3.815 -0.790 188 HD21 LEU 26 HD21 LEU 26 -6.573 -3.305 1.397 189 HD22 LEU 26 HD22 LEU 26 -8.223 -3.795 1.779 190 HD23 LEU 26 HD23 LEU 26 -7.937 -2.466 0.658 191 H SER 27 HN SER 27 -10.603 -7.439 -0.875 192 HA SER 27 HA SER 27 -8.483 -9.208 -0.140 193 HB2 SER 27 HB2 SER 27 -11.466 -9.682 -0.235 194 HB3 SER 27 HB1 SER 27 -10.278 -10.625 0.672 195 HG SER 27 HG SER 27 -9.787 -8.528 1.724 196 H GLY 28 HN GLY 28 -7.467 -9.643 -2.059 197 HA2 GLY 28 HA2 GLY 28 -7.809 -11.846 -3.492 198 HA3 GLY 28 HA1 GLY 28 -8.875 -10.717 -4.345 199 H ASP 29 HN ASP 29 -7.850 -9.904 -6.093 200 HA ASP 29 HA ASP 29 -5.080 -9.040 -5.641 201 HB2 ASP 29 HB2 ASP 29 -5.492 -10.647 -7.605 202 HB3 ASP 29 HB1 ASP 29 -6.364 -9.314 -8.369 203 H PHE 30 HN PHE 30 -4.553 -6.980 -6.208 204 HA PHE 30 HA PHE 30 -6.793 -5.170 -6.695 205 HB2 PHE 30 HB2 PHE 30 -6.084 -3.774 -4.755 206 HB3 PHE 30 HB1 PHE 30 -6.735 -5.346 -4.312 207 HD1 PHE 30 HD1 PHE 30 -5.001 -7.214 -3.846 208 HD2 PHE 30 HD2 PHE 30 -4.023 -3.081 -3.893 209 HE1 PHE 30 HE1 PHE 30 -2.990 -7.664 -2.507 210 HE2 PHE 30 HE2 PHE 30 -2.029 -3.527 -2.551 211 HZ PHE 30 HZ PHE 30 -1.476 -5.838 -1.911 212 H LEU 31 HN LEU 31 -3.762 -6.054 -7.634 213 HA LEU 31 HA LEU 31 -2.308 -3.656 -7.623 214 HB2 LEU 31 HB2 LEU 31 -2.072 -5.989 -9.487 215 HB3 LEU 31 HB1 LEU 31 -0.974 -4.632 -9.466 216 HG LEU 31 HG LEU 31 -1.351 -6.748 -7.371 217 HD11 LEU 31 HD11 LEU 31 0.086 -7.307 -9.215 218 HD12 LEU 31 HD12 LEU 31 1.073 -7.038 -7.769 219 HD13 LEU 31 HD13 LEU 31 0.954 -5.791 -9.021 220 HD21 LEU 31 HD21 LEU 31 0.255 -4.193 -7.142 221 HD22 LEU 31 HD22 LEU 31 0.283 -5.529 -5.993 222 HD23 LEU 31 HD23 LEU 31 -1.192 -4.587 -6.215 223 H ASP 32 HN ASP 32 -4.787 -4.731 -9.745 224 HA ASP 32 HA ASP 32 -4.134 -2.720 -11.755 225 HB2 ASP 32 HB2 ASP 32 -5.909 -3.762 -13.088 226 HB3 ASP 32 HB1 ASP 32 -4.727 -4.945 -12.549 227 H LEU 33 HN LEU 33 -5.850 -2.864 -8.986 228 HA LEU 33 HA LEU 33 -7.992 -1.147 -9.888 229 HB2 LEU 33 HB2 LEU 33 -7.258 -2.209 -7.159 230 HB3 LEU 33 HB1 LEU 33 -8.672 -1.231 -7.506 231 HG LEU 33 HG LEU 33 -8.153 -3.982 -8.640 232 HD11 LEU 33 HD11 LEU 33 -10.022 -3.079 -6.464 233 HD12 LEU 33 HD12 LEU 33 -8.572 -4.063 -6.253 234 HD13 LEU 33 HD13 LEU 33 -9.949 -4.699 -7.153 235 HD21 LEU 33 HD21 LEU 33 -9.495 -2.578 -10.120 236 HD22 LEU 33 HD22 LEU 33 -10.578 -2.190 -8.785 237 HD23 LEU 33 HD23 LEU 33 -10.482 -3.844 -9.392 238 H ARG 34 HN ARG 34 -8.042 1.014 -9.447 239 HA ARG 34 HA ARG 34 -5.539 2.258 -8.665 240 HB2 ARG 34 HB2 ARG 34 -8.238 3.626 -8.944 241 HB3 ARG 34 HB1 ARG 34 -6.649 4.340 -9.138 242 HG2 ARG 34 HG2 ARG 34 -7.991 2.425 -11.054 243 HG3 ARG 34 HG1 ARG 34 -7.812 4.161 -11.269 244 HD2 ARG 34 HD2 ARG 34 -5.547 2.163 -11.119 245 HD3 ARG 34 HD1 ARG 34 -6.200 2.853 -12.602 246 HE ARG 34 HE ARG 34 -5.321 4.845 -10.735 247 HH11 ARG 34 HH11 ARG 34 -4.110 2.672 -13.305 248 HH12 ARG 34 HH12 ARG 34 -2.735 3.633 -13.618 249 HH21 ARG 34 HH21 ARG 34 -3.560 6.074 -11.177 250 HH22 ARG 34 HH22 ARG 34 -2.356 5.628 -12.321 251 H PHE 35 HN PHE 35 -5.544 3.654 -6.645 252 HA PHE 35 HA PHE 35 -6.602 2.277 -4.489 253 HB2 PHE 35 HB2 PHE 35 -5.558 5.091 -4.607 254 HB3 PHE 35 HB1 PHE 35 -6.201 4.418 -3.109 255 HD1 PHE 35 HD1 PHE 35 -5.216 2.055 -2.462 256 HD2 PHE 35 HD2 PHE 35 -3.330 4.833 -5.058 257 HE1 PHE 35 HE1 PHE 35 -3.042 1.007 -2.000 258 HE2 PHE 35 HE2 PHE 35 -1.154 3.789 -4.609 259 HZ PHE 35 HZ PHE 35 -1.064 1.733 -3.126 260 H GLU 36 HN GLU 36 -8.132 4.859 -6.235 261 HA GLU 36 HA GLU 36 -10.369 5.201 -4.624 262 HB2 GLU 36 HB2 GLU 36 -11.594 5.938 -6.599 263 HB3 GLU 36 HB1 GLU 36 -9.984 6.632 -6.544 264 HG2 GLU 36 HG2 GLU 36 -9.224 5.273 -8.303 265 HG3 GLU 36 HG1 GLU 36 -10.614 4.196 -8.172 266 H ASP 37 HN ASP 37 -9.575 2.428 -6.602 267 HA ASP 37 HA ASP 37 -12.330 1.546 -6.805 268 HB2 ASP 37 HB2 ASP 37 -9.789 0.076 -7.558 269 HB3 ASP 37 HB1 ASP 37 -11.416 -0.498 -7.870 270 H ILE 38 HN ILE 38 -9.636 1.080 -4.737 271 HA ILE 38 HA ILE 38 -11.108 -1.049 -3.392 272 HB ILE 38 HB ILE 38 -9.096 -1.323 -1.920 273 HG12 ILE 38 HG12 ILE 38 -7.800 0.585 -3.891 274 HG13 ILE 38 HG11 ILE 38 -8.124 0.919 -2.197 275 HG21 ILE 38 HG21 ILE 38 -7.735 -2.477 -3.582 276 HG22 ILE 38 HG22 ILE 38 -8.640 -1.679 -4.870 277 HG23 ILE 38 HG23 ILE 38 -9.456 -2.801 -3.779 278 HD11 ILE 38 HD11 ILE 38 -6.550 -0.839 -1.552 279 HD12 ILE 38 HD12 ILE 38 -5.784 0.388 -2.561 280 HD13 ILE 38 HD13 ILE 38 -6.234 -1.171 -3.254 281 H GLY 39 HN GLY 39 -11.569 1.901 -3.510 282 HA2 GLY 39 HA2 GLY 39 -12.486 3.508 -2.193 283 HA3 GLY 39 HA1 GLY 39 -12.855 2.209 -1.068 284 H TYR 40 HN TYR 40 -9.685 3.353 -2.114 285 HA TYR 40 HA TYR 40 -9.051 3.564 0.696 286 HB2 TYR 40 HB2 TYR 40 -7.631 2.517 -1.488 287 HB3 TYR 40 HB1 TYR 40 -6.768 3.970 -0.991 288 HD1 TYR 40 HD1 TYR 40 -8.092 0.745 0.217 289 HD2 TYR 40 HD2 TYR 40 -5.531 4.041 0.989 290 HE1 TYR 40 HE1 TYR 40 -7.052 -0.498 2.052 291 HE2 TYR 40 HE2 TYR 40 -4.492 2.817 2.834 292 HH TYR 40 HH TYR 40 -4.839 0.957 4.265 293 H ASP 41 HN ASP 41 -8.878 5.311 1.675 294 HA ASP 41 HA ASP 41 -9.033 7.883 0.349 295 HB2 ASP 41 HB2 ASP 41 -8.752 7.134 3.279 296 HB3 ASP 41 HB1 ASP 41 -8.895 8.778 2.691 297 H SER 42 HN SER 42 -7.363 9.323 0.207 298 HA SER 42 HA SER 42 -4.753 8.529 0.142 299 HB2 SER 42 HB2 SER 42 -4.584 11.220 0.691 300 HB3 SER 42 HB1 SER 42 -4.836 10.504 -0.903 301 H LEU 43 HN LEU 43 -6.483 9.900 2.887 302 HA LEU 43 HA LEU 43 -4.297 10.130 4.632 303 HB2 LEU 43 HB2 LEU 43 -6.591 11.130 4.940 304 HB3 LEU 43 HB1 LEU 43 -7.184 9.543 5.351 305 HG LEU 43 HG LEU 43 -6.837 11.096 7.290 306 HD11 LEU 43 HD11 LEU 43 -5.203 8.573 7.395 307 HD12 LEU 43 HD12 LEU 43 -6.932 8.714 7.707 308 HD13 LEU 43 HD13 LEU 43 -5.775 9.491 8.790 309 HD21 LEU 43 HD21 LEU 43 -3.921 10.715 6.642 310 HD22 LEU 43 HD22 LEU 43 -4.556 11.477 8.102 311 HD23 LEU 43 HD23 LEU 43 -4.836 12.218 6.528 312 H ALA 44 HN ALA 44 -6.621 7.466 4.183 313 HA ALA 44 HA ALA 44 -5.456 5.751 6.095 314 HB1 ALA 44 HB1 ALA 44 -7.745 5.457 5.259 315 HB2 ALA 44 HB2 ALA 44 -6.795 3.987 5.060 316 HB3 ALA 44 HB3 ALA 44 -7.108 5.031 3.671 317 H LEU 45 HN LEU 45 -4.756 6.418 2.785 318 HA LEU 45 HA LEU 45 -3.122 4.186 2.276 319 HB2 LEU 45 HB2 LEU 45 -4.121 5.498 0.493 320 HB3 LEU 45 HB1 LEU 45 -3.185 6.897 0.968 321 HG LEU 45 HG LEU 45 -1.130 5.809 0.256 322 HD11 LEU 45 HD11 LEU 45 -1.736 3.504 0.814 323 HD12 LEU 45 HD12 LEU 45 -1.199 3.630 -0.863 324 HD13 LEU 45 HD13 LEU 45 -2.919 3.496 -0.494 325 HD21 LEU 45 HD21 LEU 45 -2.481 7.066 -1.373 326 HD22 LEU 45 HD22 LEU 45 -3.302 5.574 -1.823 327 HD23 LEU 45 HD23 LEU 45 -1.574 5.756 -2.126 328 H MET 46 HN MET 46 -2.349 7.494 3.371 329 HA MET 46 HA MET 46 0.439 6.944 3.442 330 HB2 MET 46 HB2 MET 46 0.764 9.039 4.658 331 HB3 MET 46 HB1 MET 46 -0.341 9.283 3.320 332 HG2 MET 46 HG2 MET 46 -2.218 9.288 4.859 333 HG3 MET 46 HG1 MET 46 -1.133 8.971 6.207 334 HE1 MET 46 HE1 MET 46 1.377 10.822 5.429 335 HE2 MET 46 HE2 MET 46 0.714 10.714 7.058 336 HE3 MET 46 HE3 MET 46 0.974 12.293 6.314 337 H GLU 47 HN GLU 47 -2.120 6.482 5.743 338 HA GLU 47 HA GLU 47 -0.597 5.902 8.039 339 HB2 GLU 47 HB2 GLU 47 -3.200 4.685 7.099 340 HB3 GLU 47 HB1 GLU 47 -2.537 4.501 8.713 341 HG2 GLU 47 HG2 GLU 47 -3.338 7.112 7.460 342 HG3 GLU 47 HG1 GLU 47 -4.333 6.170 8.568 343 H THR 48 HN THR 48 -1.710 3.865 5.394 344 HA THR 48 HA THR 48 -0.604 1.424 6.199 345 HB THR 48 HB THR 48 -1.083 2.426 3.376 346 HG1 THR 48 HG1 THR 48 -3.048 2.612 4.424 347 HG21 THR 48 HG21 THR 48 -1.064 -0.365 4.551 348 HG22 THR 48 HG22 THR 48 0.190 0.320 3.520 349 HG23 THR 48 HG23 THR 48 -1.428 0.044 2.874 350 H ALA 49 HN ALA 49 0.635 3.986 4.063 351 HA ALA 49 HA ALA 49 3.083 2.879 3.348 352 HB1 ALA 49 HB1 ALA 49 2.146 4.906 2.324 353 HB2 ALA 49 HB2 ALA 49 3.800 5.167 2.876 354 HB3 ALA 49 HB3 ALA 49 2.446 5.796 3.818 355 H ALA 50 HN ALA 50 2.310 4.987 6.096 356 HA ALA 50 HA ALA 50 4.833 5.162 7.264 357 HB1 ALA 50 HB1 ALA 50 3.651 5.807 9.294 358 HB2 ALA 50 HB2 ALA 50 2.141 5.186 8.622 359 HB3 ALA 50 HB3 ALA 50 2.935 6.574 7.877 360 H ARG 51 HN ARG 51 2.357 2.744 7.575 361 HA ARG 51 HA ARG 51 3.437 1.256 9.705 362 HB2 ARG 51 HB2 ARG 51 1.149 0.953 9.003 363 HB3 ARG 51 HB1 ARG 51 1.660 0.438 7.406 364 HG2 ARG 51 HG2 ARG 51 2.610 -1.586 8.343 365 HG3 ARG 51 HG1 ARG 51 2.174 -1.054 9.968 366 HD2 ARG 51 HD2 ARG 51 -0.171 -1.070 9.374 367 HD3 ARG 51 HD1 ARG 51 0.231 -1.522 7.720 368 HE ARG 51 HE ARG 51 1.346 -3.494 9.071 369 HH11 ARG 51 HH11 ARG 51 -1.812 -2.022 9.749 370 HH12 ARG 51 HH12 ARG 51 -2.580 -3.517 10.066 371 HH21 ARG 51 HH21 ARG 51 0.227 -5.554 9.428 372 HH22 ARG 51 HH22 ARG 51 -1.429 -5.578 9.739 373 H LEU 52 HN LEU 52 3.807 0.948 6.200 374 HA LEU 52 HA LEU 52 5.540 -1.286 6.364 375 HB2 LEU 52 HB2 LEU 52 5.081 0.672 4.117 376 HB3 LEU 52 HB1 LEU 52 6.089 -0.760 3.975 377 HG LEU 52 HG LEU 52 3.137 -0.772 4.591 378 HD11 LEU 52 HD11 LEU 52 4.600 -1.479 2.056 379 HD12 LEU 52 HD12 LEU 52 3.577 -0.065 2.308 380 HD13 LEU 52 HD13 LEU 52 2.871 -1.680 2.343 381 HD21 LEU 52 HD21 LEU 52 4.315 -2.662 5.583 382 HD22 LEU 52 HD22 LEU 52 5.038 -3.041 4.020 383 HD23 LEU 52 HD23 LEU 52 3.293 -3.185 4.244 384 H GLU 53 HN GLU 53 6.098 2.186 6.214 385 HA GLU 53 HA GLU 53 8.880 2.148 6.003 386 HB2 GLU 53 HB2 GLU 53 7.085 4.090 7.455 387 HB3 GLU 53 HB1 GLU 53 8.818 4.320 7.295 388 HG2 GLU 53 HG2 GLU 53 8.582 4.322 4.881 389 HG3 GLU 53 HG1 GLU 53 6.839 4.160 5.033 390 H SER 54 HN SER 54 6.876 2.156 8.891 391 HA SER 54 HA SER 54 8.969 2.015 10.729 392 HB2 SER 54 HB2 SER 54 6.110 1.102 11.039 393 HB3 SER 54 HB1 SER 54 7.229 1.492 12.350 394 HG SER 54 HG SER 54 5.887 3.187 10.577 395 H ARG 55 HN ARG 55 7.076 -0.573 9.178 396 HA ARG 55 HA ARG 55 8.084 -2.690 10.745 397 HB2 ARG 55 HB2 ARG 55 6.062 -2.903 9.313 398 HB3 ARG 55 HB1 ARG 55 7.090 -2.846 7.885 399 HG2 ARG 55 HG2 ARG 55 8.307 -4.857 8.949 400 HG3 ARG 55 HG1 ARG 55 6.875 -4.995 9.961 401 HD2 ARG 55 HD2 ARG 55 6.876 -5.016 6.949 402 HD3 ARG 55 HD1 ARG 55 6.864 -6.451 7.959 403 HE ARG 55 HE ARG 55 4.674 -4.942 8.719 404 HH11 ARG 55 HH11 ARG 55 5.802 -6.383 5.656 405 HH12 ARG 55 HH12 ARG 55 4.287 -6.865 5.145 406 HH21 ARG 55 HH21 ARG 55 2.555 -5.636 8.002 407 HH22 ARG 55 HH22 ARG 55 2.397 -6.427 6.490 408 H TYR 56 HN TYR 56 9.243 -1.285 7.705 409 HA TYR 56 HA TYR 56 11.370 -3.315 7.640 410 HB2 TYR 56 HB2 TYR 56 10.409 -1.471 5.472 411 HB3 TYR 56 HB1 TYR 56 11.724 -2.627 5.304 412 HD1 TYR 56 HD2 TYR 56 11.133 -5.095 5.850 413 HD2 TYR 56 HD1 TYR 56 8.258 -2.108 4.919 414 HE1 TYR 56 HE2 TYR 56 9.533 -6.841 5.228 415 HE2 TYR 56 HE1 TYR 56 6.642 -3.834 4.305 416 HH TYR 56 HH TYR 56 6.728 -6.263 3.535 417 H GLY 57 HN GLY 57 11.032 -0.247 8.748 418 HA2 GLY 57 HA2 GLY 57 12.551 1.343 9.376 419 HA3 GLY 57 HA1 GLY 57 13.824 0.197 8.964 420 H VAL 58 HN VAL 58 11.349 1.332 6.802 421 HA VAL 58 HA VAL 58 13.469 2.467 5.122 422 HB VAL 58 HB VAL 58 12.022 2.173 3.158 423 HG11 VAL 58 HG11 VAL 58 12.038 -0.247 2.998 424 HG12 VAL 58 HG12 VAL 58 12.300 -0.355 4.739 425 HG13 VAL 58 HG13 VAL 58 13.535 0.374 3.702 426 HG21 VAL 58 HG21 VAL 58 9.836 2.385 4.215 427 HG22 VAL 58 HG22 VAL 58 10.068 0.844 5.044 428 HG23 VAL 58 HG23 VAL 58 9.928 0.889 3.285 429 H SER 59 HN SER 59 12.588 4.229 3.624 430 HA SER 59 HA SER 59 10.552 5.800 4.973 431 HB2 SER 59 HB2 SER 59 13.244 6.858 4.049 432 HB3 SER 59 HB1 SER 59 11.898 7.868 4.574 433 HG SER 59 HG SER 59 13.460 6.052 6.056 434 H ILE 60 HN ILE 60 9.089 6.452 3.667 435 HA ILE 60 HA ILE 60 9.446 5.969 0.817 436 HB ILE 60 HB ILE 60 6.914 6.486 2.418 437 HG12 ILE 60 HG12 ILE 60 7.970 3.970 1.099 438 HG13 ILE 60 HG11 ILE 60 7.968 4.297 2.825 439 HG21 ILE 60 HG21 ILE 60 5.685 5.909 0.368 440 HG22 ILE 60 HG22 ILE 60 7.209 5.806 -0.516 441 HG23 ILE 60 HG23 ILE 60 6.676 7.353 0.140 442 HD11 ILE 60 HD11 ILE 60 6.169 2.789 2.205 443 HD12 ILE 60 HD12 ILE 60 5.533 3.990 1.080 444 HD13 ILE 60 HD13 ILE 60 5.523 4.311 2.814 445 HA PRO 61 HA PRO 61 10.178 10.299 0.205 446 HB2 PRO 61 HB2 PRO 61 9.487 9.545 -2.582 447 HB3 PRO 61 HB1 PRO 61 10.916 10.379 -1.963 448 HG2 PRO 61 HG2 PRO 61 11.075 7.845 -2.736 449 HG3 PRO 61 HG1 PRO 61 11.936 8.402 -1.284 450 HD2 PRO 61 HD2 PRO 61 9.382 6.864 -1.503 451 HD3 PRO 61 HD1 PRO 61 10.731 6.655 -0.366 452 H ASP 62 HN ASP 62 8.944 12.016 0.105 453 HA ASP 62 HA ASP 62 6.188 11.976 0.467 454 HB2 ASP 62 HB2 ASP 62 7.594 13.818 1.196 455 HB3 ASP 62 HB1 ASP 62 7.966 14.228 -0.474 456 H ASP 63 HN ASP 63 8.083 12.585 -2.448 457 HA ASP 63 HA ASP 63 5.869 13.317 -4.081 458 HB2 ASP 63 HB2 ASP 63 8.100 13.992 -4.726 459 HB3 ASP 63 HB1 ASP 63 8.625 12.314 -4.816 460 H VAL 64 HN VAL 64 7.394 10.293 -3.281 461 HA VAL 64 HA VAL 64 6.128 8.892 -5.408 462 HB VAL 64 HB VAL 64 7.517 7.733 -2.978 463 HG11 VAL 64 HG11 VAL 64 5.962 6.150 -4.019 464 HG12 VAL 64 HG12 VAL 64 7.635 5.673 -4.307 465 HG13 VAL 64 HG13 VAL 64 6.705 6.447 -5.590 466 HG21 VAL 64 HG21 VAL 64 8.497 8.201 -5.790 467 HG22 VAL 64 HG22 VAL 64 9.394 7.379 -4.513 468 HG23 VAL 64 HG23 VAL 64 9.001 9.091 -4.354 469 H ALA 65 HN ALA 65 5.550 9.340 -1.990 470 HA ALA 65 HA ALA 65 3.523 7.451 -1.630 471 HB1 ALA 65 HB1 ALA 65 4.704 8.564 0.205 472 HB2 ALA 65 HB2 ALA 65 2.953 8.682 0.381 473 HB3 ALA 65 HB3 ALA 65 3.877 10.072 -0.186 474 H GLY 66 HN GLY 66 3.385 10.584 -3.153 475 HA2 GLY 66 HA2 GLY 66 0.456 10.475 -3.101 476 HA3 GLY 66 HA1 GLY 66 1.418 11.888 -3.502 477 H ARG 67 HN ARG 67 2.957 9.562 -5.144 478 HA ARG 67 HA ARG 67 1.422 10.218 -7.560 479 HB2 ARG 67 HB2 ARG 67 3.401 9.656 -8.848 480 HB3 ARG 67 HB1 ARG 67 3.836 10.782 -7.572 481 HG2 ARG 67 HG2 ARG 67 4.584 8.832 -6.230 482 HG3 ARG 67 HG1 ARG 67 4.326 7.827 -7.646 483 HD2 ARG 67 HD2 ARG 67 6.151 10.226 -7.609 484 HD3 ARG 67 HD1 ARG 67 6.694 8.570 -7.363 485 HE ARG 67 HE ARG 67 5.597 8.211 -9.630 486 HH11 ARG 67 HH11 ARG 67 7.242 11.245 -8.666 487 HH12 ARG 67 HH12 ARG 67 7.886 11.548 -10.206 488 HH21 ARG 67 HH21 ARG 67 6.565 8.599 -11.719 489 HH22 ARG 67 HH22 ARG 67 7.472 10.015 -12.007 490 H VAL 68 HN VAL 68 1.951 7.670 -5.431 491 HA VAL 68 HA VAL 68 1.647 5.604 -7.409 492 HB VAL 68 HB VAL 68 1.625 4.022 -5.439 493 HG11 VAL 68 HG11 VAL 68 3.975 4.359 -4.831 494 HG12 VAL 68 HG12 VAL 68 3.917 5.973 -5.540 495 HG13 VAL 68 HG13 VAL 68 3.698 4.552 -6.562 496 HG21 VAL 68 HG21 VAL 68 2.251 4.863 -3.226 497 HG22 VAL 68 HG22 VAL 68 0.690 5.521 -3.722 498 HG23 VAL 68 HG23 VAL 68 2.142 6.523 -3.809 499 H ASP 69 HN ASP 69 -0.206 5.560 -8.359 500 HA ASP 69 HA ASP 69 -2.591 5.972 -6.730 501 HB2 ASP 69 HB2 ASP 69 -2.251 7.409 -8.748 502 HB3 ASP 69 HB1 ASP 69 -2.445 5.964 -9.737 503 H THR 70 HN THR 70 -0.920 3.598 -8.553 504 HA THR 70 HA THR 70 -3.053 1.725 -7.828 505 HB THR 70 HB THR 70 -1.831 0.085 -9.362 506 HG1 THR 70 HG1 THR 70 -0.386 2.454 -9.963 507 HG21 THR 70 HG21 THR 70 -2.815 0.972 -11.411 508 HG22 THR 70 HG22 THR 70 -3.015 2.541 -10.632 509 HG23 THR 70 HG23 THR 70 -3.906 1.140 -10.036 510 HA PRO 71 HA PRO 71 -0.625 0.226 -4.494 511 HB2 PRO 71 HB2 PRO 71 -1.559 -2.470 -5.340 512 HB3 PRO 71 HB1 PRO 71 -1.673 -1.678 -3.762 513 HG2 PRO 71 HG2 PRO 71 -3.818 -1.885 -5.295 514 HG3 PRO 71 HG1 PRO 71 -3.501 -0.384 -4.398 515 HD2 PRO 71 HD2 PRO 71 -3.083 -0.989 -7.293 516 HD3 PRO 71 HD1 PRO 71 -3.705 0.488 -6.527 517 H ARG 72 HN ARG 72 -0.380 -1.391 -7.600 518 HA ARG 72 HA ARG 72 1.889 -2.942 -7.172 519 HB2 ARG 72 HB2 ARG 72 2.183 -3.023 -9.573 520 HB3 ARG 72 HB1 ARG 72 0.476 -3.121 -9.194 521 HG2 ARG 72 HG2 ARG 72 0.207 -0.766 -9.792 522 HG3 ARG 72 HG1 ARG 72 1.929 -0.668 -10.167 523 HD2 ARG 72 HD2 ARG 72 0.773 -0.961 -12.218 524 HD3 ARG 72 HD1 ARG 72 1.567 -2.488 -11.839 525 HE ARG 72 HE ARG 72 -1.232 -2.093 -11.110 526 HH11 ARG 72 HH11 ARG 72 1.155 -4.075 -12.797 527 HH12 ARG 72 HH12 ARG 72 -0.003 -5.015 -13.624 528 HH21 ARG 72 HH21 ARG 72 -2.805 -3.358 -12.289 529 HH22 ARG 72 HH22 ARG 72 -2.297 -4.608 -13.327 530 H GLU 73 HN GLU 73 1.643 0.481 -7.951 531 HA GLU 73 HA GLU 73 4.369 0.994 -8.487 532 HB2 GLU 73 HB2 GLU 73 2.223 2.825 -7.426 533 HB3 GLU 73 HB1 GLU 73 3.762 3.334 -8.099 534 HG2 GLU 73 HG2 GLU 73 3.135 2.486 -10.260 535 HG3 GLU 73 HG1 GLU 73 1.632 1.843 -9.599 536 H LEU 74 HN LEU 74 2.367 1.193 -5.636 537 HA LEU 74 HA LEU 74 4.294 2.287 -3.881 538 HB2 LEU 74 HB2 LEU 74 1.793 2.321 -3.559 539 HB3 LEU 74 HB1 LEU 74 1.842 0.611 -3.227 540 HG LEU 74 HG LEU 74 1.542 2.084 -1.226 541 HD11 LEU 74 HD11 LEU 74 3.111 0.942 0.244 542 HD12 LEU 74 HD12 LEU 74 4.012 0.374 -1.163 543 HD13 LEU 74 HD13 LEU 74 2.354 -0.164 -0.904 544 HD21 LEU 74 HD21 LEU 74 3.487 3.271 -0.320 545 HD22 LEU 74 HD22 LEU 74 2.976 3.928 -1.875 546 HD23 LEU 74 HD23 LEU 74 4.394 2.886 -1.784 547 H LEU 75 HN LEU 75 3.210 -0.990 -4.573 548 HA LEU 75 HA LEU 75 4.820 -2.440 -2.836 549 HB2 LEU 75 HB2 LEU 75 2.997 -3.402 -4.172 550 HB3 LEU 75 HB1 LEU 75 3.931 -3.159 -5.633 551 HG LEU 75 HG LEU 75 5.594 -4.790 -4.826 552 HD11 LEU 75 HD11 LEU 75 5.287 -4.470 -2.438 553 HD12 LEU 75 HD12 LEU 75 5.085 -6.165 -2.878 554 HD13 LEU 75 HD13 LEU 75 3.671 -5.165 -2.545 555 HD21 LEU 75 HD21 LEU 75 3.767 -5.540 -6.255 556 HD22 LEU 75 HD22 LEU 75 2.750 -5.801 -4.838 557 HD23 LEU 75 HD23 LEU 75 4.192 -6.785 -5.082 558 H ASP 76 HN ASP 76 5.466 -1.339 -6.126 559 HA ASP 76 HA ASP 76 8.034 -2.389 -6.438 560 HB2 ASP 76 HB2 ASP 76 6.785 -1.484 -8.319 561 HB3 ASP 76 HB1 ASP 76 6.899 0.137 -7.640 562 H LEU 77 HN LEU 77 7.010 0.708 -5.074 563 HA LEU 77 HA LEU 77 9.572 1.802 -4.708 564 HB2 LEU 77 HB2 LEU 77 7.413 3.065 -4.588 565 HB3 LEU 77 HB1 LEU 77 7.058 2.275 -3.076 566 HG LEU 77 HG LEU 77 7.797 4.657 -2.880 567 HD11 LEU 77 HD11 LEU 77 9.598 2.701 -1.477 568 HD12 LEU 77 HD12 LEU 77 8.007 3.239 -0.937 569 HD13 LEU 77 HD13 LEU 77 9.345 4.385 -1.021 570 HD21 LEU 77 HD21 LEU 77 9.423 4.721 -4.663 571 HD22 LEU 77 HD22 LEU 77 10.455 3.583 -3.798 572 HD23 LEU 77 HD23 LEU 77 10.174 5.195 -3.139 573 H ILE 78 HN ILE 78 7.542 -0.202 -2.667 574 HA ILE 78 HA ILE 78 9.238 -0.197 -0.411 575 HB ILE 78 HB ILE 78 7.192 -2.266 -1.282 576 HG12 ILE 78 HG12 ILE 78 6.199 -0.062 -0.946 577 HG13 ILE 78 HG11 ILE 78 5.708 -1.154 0.343 578 HG21 ILE 78 HG21 ILE 78 7.173 -2.993 1.064 579 HG22 ILE 78 HG22 ILE 78 8.489 -1.874 1.419 580 HG23 ILE 78 HG23 ILE 78 8.757 -3.228 0.322 581 HD11 ILE 78 HD11 ILE 78 7.342 -0.121 1.837 582 HD12 ILE 78 HD12 ILE 78 6.211 1.070 1.196 583 HD13 ILE 78 HD13 ILE 78 7.844 0.963 0.540 584 H ASN 79 HN ASN 79 8.785 -2.620 -2.989 585 HA ASN 79 HA ASN 79 10.836 -4.298 -2.067 586 HB2 ASN 79 HB2 ASN 79 9.570 -4.119 -4.802 587 HB3 ASN 79 HB1 ASN 79 10.821 -5.299 -4.413 588 HD21 ASN 79 HD21 ASN 79 8.103 -5.885 -5.171 589 HD22 ASN 79 HD22 ASN 79 7.398 -6.700 -3.817 590 H GLY 80 HN GLY 80 10.968 -1.586 -4.262 591 HA2 GLY 80 HA2 GLY 80 13.634 -1.950 -5.107 592 HA3 GLY 80 HA1 GLY 80 12.770 -0.417 -5.065 593 H ALA 81 HN ALA 81 12.239 -0.284 -2.322 594 HA ALA 81 HA ALA 81 14.725 0.747 -1.379 595 HB1 ALA 81 HB1 ALA 81 12.585 1.825 -0.850 596 HB2 ALA 81 HB2 ALA 81 13.467 1.386 0.616 597 HB3 ALA 81 HB3 ALA 81 12.103 0.406 0.082 598 H LEU 82 HN LEU 82 12.857 -2.143 -0.803 599 HA LEU 82 HA LEU 82 14.335 -3.066 1.439 600 HB2 LEU 82 HB2 LEU 82 12.616 -4.560 -0.531 601 HB3 LEU 82 HB1 LEU 82 13.310 -5.275 0.904 602 HG LEU 82 HG LEU 82 11.276 -3.059 0.825 603 HD11 LEU 82 HD11 LEU 82 11.070 -5.941 1.679 604 HD12 LEU 82 HD12 LEU 82 10.358 -5.230 0.229 605 HD13 LEU 82 HD13 LEU 82 9.796 -4.730 1.824 606 HD21 LEU 82 HD21 LEU 82 12.811 -2.797 2.694 607 HD22 LEU 82 HD22 LEU 82 12.546 -4.478 3.156 608 HD23 LEU 82 HD23 LEU 82 11.220 -3.318 3.255 609 H ALA 83 HN ALA 83 14.405 -3.921 -2.012 610 HA ALA 83 HA ALA 83 16.505 -5.777 -1.812 611 HB1 ALA 83 HB1 ALA 83 14.934 -5.717 -3.694 612 HB2 ALA 83 HB2 ALA 83 16.612 -5.665 -4.235 613 HB3 ALA 83 HB3 ALA 83 15.642 -4.191 -4.228 614 H GLU 84 HN GLU 84 16.505 -2.356 -1.860 615 HA GLU 84 HA GLU 84 19.102 -1.892 -2.846 616 HB2 GLU 84 HB2 GLU 84 17.326 -0.141 -2.482 617 HB3 GLU 84 HB1 GLU 84 17.627 -0.269 -0.757 618 HG2 GLU 84 HG2 GLU 84 18.771 1.651 -1.648 619 HG3 GLU 84 HG1 GLU 84 19.948 0.447 -1.127 620 H ALA 85 HN ALA 85 17.846 -2.777 0.309 621 HA ALA 85 HA ALA 85 20.541 -2.788 1.418 622 HB1 ALA 85 HB1 ALA 85 19.444 -3.135 3.596 623 HB2 ALA 85 HB2 ALA 85 17.873 -3.191 2.796 624 HB3 ALA 85 HB3 ALA 85 18.810 -1.699 2.791 625 H ALA 86 HN ALA 86 21.221 -4.522 0.147 626 HA ALA 86 HA ALA 86 20.949 -7.085 1.241 627 HB1 ALA 86 HB1 ALA 86 19.934 -8.220 -0.708 628 HB2 ALA 86 HB2 ALA 86 19.609 -6.652 -1.447 629 HB3 ALA 86 HB3 ALA 86 18.794 -7.108 0.049 630 H28 SXH 87 H28B SXH 87 -4.466 11.864 2.056 631 H28A SXH 87 H28A SXH 87 -5.394 12.546 3.386 632 H30 SXH 87 H30C SXH 87 -2.538 12.366 3.427 633 H30A SXH 87 H30A SXH 87 -3.545 13.160 4.637 634 H30B SXH 87 H30B SXH 87 -2.167 14.016 3.938 635 H31 SXH 87 H31A SXH 87 -3.643 14.270 0.555 636 H31A SXH 87 H31C SXH 87 -2.252 14.743 1.536 637 H31B SXH 87 H31B SXH 87 -2.525 13.044 1.164 638 H32 SXH 87 H32A SXH 87 -5.122 15.126 3.930 639 HO33 SXH 87 H33A SXH 87 -4.802 16.611 1.816 640 HN36 SXH 87 H36A SXH 87 -3.190 15.622 5.161 641 H37 SXH 87 H37A SXH 87 -1.305 17.665 4.151 642 H37A SXH 87 H37B SXH 87 -2.442 18.127 5.379 643 H38 SXH 87 H38A SXH 87 -0.540 17.666 6.551 644 H38A SXH 87 H38B SXH 87 -1.615 16.274 6.870 645 HN41 SXH 87 H41A SXH 87 -0.272 16.140 3.875 646 H42 SXH 87 H42A SXH 87 2.373 15.450 4.038 647 H42A SXH 87 H42B SXH 87 1.488 13.963 4.393 648 H43 SXH 87 H43A SXH 87 1.157 15.672 1.933 649 H43A SXH 87 H43B SXH 87 0.315 14.150 2.265 650 H2 SXH 87 H2A SXH 87 1.693 10.334 2.449 651 H2A SXH 87 H2B SXH 87 2.428 10.965 0.977 652 H3 SXH 87 H3A SXH 87 0.491 12.443 0.666 653 H3A SXH 87 H3B SXH 87 -0.256 11.733 2.104 654 H4 SXH 87 H4B SXH 87 0.549 10.204 -0.356 655 H4A SXH 87 H4A SXH 87 -0.298 9.566 1.057 656 H5 SXH 87 H5A SXH 87 -1.337 11.713 -0.788 657 H5A SXH 87 H5B SXH 87 -2.190 11.016 0.606 658 H6 SXH 87 H6C SXH 87 -1.236 9.510 -1.821 659 H6A SXH 87 H6A SXH 87 -2.907 10.004 -1.502 660 H6B SXH 87 H6B SXH 87 -2.112 8.851 -0.430 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 10.211 -16.948 5.322 2 H2 MET 1 HT2 MET 1 10.738 -16.130 3.946 3 H3 MET 1 HT3 MET 1 9.136 -16.087 4.344 4 HA MET 1 HA MET 1 9.484 -14.752 6.227 5 HB2 MET 1 HB2 MET 1 11.728 -15.693 6.847 6 HB3 MET 1 HB1 MET 1 12.434 -14.865 5.470 7 HG2 MET 1 HG2 MET 1 11.948 -12.714 6.446 8 HG3 MET 1 HG1 MET 1 11.062 -13.471 7.763 9 HE1 MET 1 HE1 MET 1 15.641 -13.838 7.195 10 HE2 MET 1 HE2 MET 1 14.598 -12.906 6.119 11 HE3 MET 1 HE3 MET 1 14.469 -14.663 6.167 12 H ALA 2 HN ALA 2 9.406 -12.474 5.925 13 HA ALA 2 HA ALA 2 9.005 -11.836 3.185 14 HB1 ALA 2 HB1 ALA 2 8.129 -9.726 3.957 15 HB2 ALA 2 HB2 ALA 2 8.761 -10.023 5.576 16 HB3 ALA 2 HB3 ALA 2 7.475 -11.044 4.931 17 H THR 3 HN THR 3 11.054 -12.059 2.400 18 HA THR 3 HA THR 3 12.725 -9.664 2.708 19 HB THR 3 HB THR 3 13.329 -12.300 1.385 20 HG1 THR 3 HG1 THR 3 13.735 -11.312 3.998 21 HG21 THR 3 HG21 THR 3 15.146 -10.018 2.200 22 HG22 THR 3 HG22 THR 3 14.680 -10.429 0.550 23 HG23 THR 3 HG23 THR 3 15.684 -11.539 1.485 24 H LEU 4 HN LEU 4 12.026 -8.252 1.282 25 HA LEU 4 HA LEU 4 11.078 -7.242 -0.457 26 HB2 LEU 4 HB2 LEU 4 11.423 -9.874 -1.910 27 HB3 LEU 4 HB1 LEU 4 10.814 -8.419 -2.685 28 HG LEU 4 HG LEU 4 13.590 -8.803 -1.536 29 HD11 LEU 4 HD11 LEU 4 12.642 -8.628 -4.391 30 HD12 LEU 4 HD12 LEU 4 13.236 -10.073 -3.575 31 HD13 LEU 4 HD13 LEU 4 14.323 -8.716 -3.866 32 HD21 LEU 4 HD21 LEU 4 12.836 -6.483 -1.334 33 HD22 LEU 4 HD22 LEU 4 12.403 -6.465 -3.044 34 HD23 LEU 4 HD23 LEU 4 14.093 -6.631 -2.563 35 H LEU 5 HN LEU 5 9.102 -6.691 -0.576 36 HA LEU 5 HA LEU 5 7.222 -8.148 0.974 37 HB2 LEU 5 HB2 LEU 5 7.560 -5.679 0.986 38 HB3 LEU 5 HB1 LEU 5 6.929 -5.602 -0.634 39 HG LEU 5 HG LEU 5 5.228 -6.589 1.660 40 HD11 LEU 5 HD11 LEU 5 6.115 -4.376 2.227 41 HD12 LEU 5 HD12 LEU 5 4.393 -4.308 1.848 42 HD13 LEU 5 HD13 LEU 5 5.579 -3.771 0.661 43 HD21 LEU 5 HD21 LEU 5 4.431 -6.972 -0.613 44 HD22 LEU 5 HD22 LEU 5 4.598 -5.245 -0.946 45 HD23 LEU 5 HD23 LEU 5 3.439 -5.808 0.263 46 H THR 6 HN THR 6 5.589 -9.460 0.333 47 HA THR 6 HA THR 6 5.354 -9.890 -2.547 48 HB THR 6 HB THR 6 4.338 -12.069 -2.006 49 HG1 THR 6 HG1 THR 6 4.754 -11.205 0.701 50 HG21 THR 6 HG21 THR 6 6.339 -13.152 -1.060 51 HG22 THR 6 HG22 THR 6 6.955 -11.576 -0.568 52 HG23 THR 6 HG23 THR 6 6.768 -11.952 -2.281 53 H THR 7 HN THR 7 3.013 -10.929 -3.059 54 HA THR 7 HA THR 7 1.124 -8.948 -3.136 55 HB THR 7 HB THR 7 0.412 -11.871 -2.974 56 HG1 THR 7 HG1 THR 7 1.671 -10.534 -5.182 57 HG21 THR 7 HG21 THR 7 -1.092 -11.258 -4.822 58 HG22 THR 7 HG22 THR 7 -0.438 -9.622 -4.827 59 HG23 THR 7 HG23 THR 7 -1.365 -10.190 -3.442 60 H ASP 8 HN ASP 8 1.362 -11.714 -0.900 61 HA ASP 8 HA ASP 8 -0.888 -11.300 0.671 62 HB2 ASP 8 HB2 ASP 8 1.765 -12.528 1.392 63 HB3 ASP 8 HB1 ASP 8 0.368 -12.541 2.454 64 H ASP 9 HN ASP 9 2.394 -10.100 1.132 65 HA ASP 9 HA ASP 9 1.894 -8.924 3.667 66 HB2 ASP 9 HB2 ASP 9 4.061 -8.205 1.680 67 HB3 ASP 9 HB1 ASP 9 4.017 -7.720 3.367 68 H LEU 10 HN LEU 10 1.773 -7.734 0.385 69 HA LEU 10 HA LEU 10 1.295 -5.020 1.034 70 HB2 LEU 10 HB2 LEU 10 1.986 -5.941 -1.243 71 HB3 LEU 10 HB1 LEU 10 0.344 -6.508 -1.418 72 HG LEU 10 HG LEU 10 -0.473 -4.194 -1.327 73 HD11 LEU 10 HD11 LEU 10 2.455 -3.471 -1.261 74 HD12 LEU 10 HD12 LEU 10 1.290 -3.225 0.041 75 HD13 LEU 10 HD13 LEU 10 1.117 -2.339 -1.475 76 HD21 LEU 10 HD21 LEU 10 1.691 -4.677 -3.372 77 HD22 LEU 10 HD22 LEU 10 0.383 -3.503 -3.512 78 HD23 LEU 10 HD23 LEU 10 0.018 -5.229 -3.475 79 H ARG 11 HN ARG 11 -0.798 -7.730 0.188 80 HA ARG 11 HA ARG 11 -3.286 -6.605 0.415 81 HB2 ARG 11 HB2 ARG 11 -3.031 -8.847 -0.393 82 HB3 ARG 11 HB1 ARG 11 -2.370 -9.388 1.141 83 HG2 ARG 11 HG2 ARG 11 -4.490 -9.102 2.219 84 HG3 ARG 11 HG1 ARG 11 -5.171 -8.372 0.767 85 HD2 ARG 11 HD2 ARG 11 -5.840 -10.719 1.064 86 HD3 ARG 11 HD1 ARG 11 -4.960 -10.435 -0.432 87 HE ARG 11 HE ARG 11 -3.113 -11.552 0.461 88 HH11 ARG 11 HH11 ARG 11 -5.873 -11.638 2.709 89 HH12 ARG 11 HH12 ARG 11 -5.485 -13.185 3.316 90 HH21 ARG 11 HH21 ARG 11 -2.544 -13.710 1.456 91 HH22 ARG 11 HH22 ARG 11 -3.603 -14.310 2.649 92 H ARG 12 HN ARG 12 -1.358 -8.020 2.992 93 HA ARG 12 HA ARG 12 -3.146 -7.626 5.109 94 HB2 ARG 12 HB2 ARG 12 -0.127 -7.598 5.175 95 HB3 ARG 12 HB1 ARG 12 -1.168 -7.731 6.587 96 HG2 ARG 12 HG2 ARG 12 -2.016 -9.847 5.810 97 HG3 ARG 12 HG1 ARG 12 -1.087 -9.697 4.317 98 HD2 ARG 12 HD2 ARG 12 0.978 -9.610 5.713 99 HD3 ARG 12 HD1 ARG 12 -0.026 -9.976 7.115 100 HE ARG 12 HE ARG 12 -0.663 -11.949 5.439 101 HH11 ARG 12 HH11 ARG 12 2.438 -10.773 6.713 102 HH12 ARG 12 HH12 ARG 12 3.278 -12.208 6.329 103 HH21 ARG 12 HH21 ARG 12 0.524 -13.944 4.964 104 HH22 ARG 12 HH22 ARG 12 2.147 -14.069 5.451 105 H ALA 13 HN ALA 13 -0.628 -5.484 3.847 106 HA ALA 13 HA ALA 13 -0.911 -3.476 5.794 107 HB1 ALA 13 HB1 ALA 13 0.021 -3.193 2.937 108 HB2 ALA 13 HB2 ALA 13 1.036 -3.637 4.310 109 HB3 ALA 13 HB3 ALA 13 0.297 -2.037 4.240 110 H LEU 14 HN LEU 14 -2.440 -3.814 2.529 111 HA LEU 14 HA LEU 14 -3.912 -1.498 2.668 112 HB2 LEU 14 HB2 LEU 14 -4.081 -4.057 1.172 113 HB3 LEU 14 HB1 LEU 14 -5.381 -2.895 1.053 114 HG LEU 14 HG LEU 14 -3.821 -2.859 -0.762 115 HD11 LEU 14 HD11 LEU 14 -5.066 -0.820 -0.249 116 HD12 LEU 14 HD12 LEU 14 -3.446 -0.375 -0.801 117 HD13 LEU 14 HD13 LEU 14 -3.830 -0.338 0.916 118 HD21 LEU 14 HD21 LEU 14 -1.729 -3.366 0.281 119 HD22 LEU 14 HD22 LEU 14 -1.780 -1.865 1.205 120 HD23 LEU 14 HD23 LEU 14 -1.587 -1.816 -0.547 121 H VAL 15 HN VAL 15 -4.819 -4.848 3.593 122 HA VAL 15 HA VAL 15 -7.464 -4.057 4.217 123 HB VAL 15 HB VAL 15 -6.866 -6.446 3.605 124 HG11 VAL 15 HG11 VAL 15 -5.747 -6.596 6.376 125 HG12 VAL 15 HG12 VAL 15 -4.859 -6.716 4.858 126 HG13 VAL 15 HG13 VAL 15 -6.032 -7.958 5.292 127 HG21 VAL 15 HG21 VAL 15 -8.323 -6.132 6.230 128 HG22 VAL 15 HG22 VAL 15 -8.415 -7.531 5.161 129 HG23 VAL 15 HG23 VAL 15 -9.029 -5.965 4.622 130 H GLU 16 HN GLU 16 -4.544 -4.149 6.124 131 HA GLU 16 HA GLU 16 -5.790 -3.830 8.673 132 HB2 GLU 16 HB2 GLU 16 -2.999 -3.396 7.691 133 HB3 GLU 16 HB1 GLU 16 -3.477 -3.028 9.338 134 HG2 GLU 16 HG2 GLU 16 -4.020 -5.339 9.727 135 HG3 GLU 16 HG1 GLU 16 -3.657 -5.733 8.042 136 H SER 17 HN SER 17 -4.393 -1.563 6.323 137 HA SER 17 HA SER 17 -4.634 0.635 8.142 138 HB2 SER 17 HB2 SER 17 -4.074 0.684 5.179 139 HB3 SER 17 HB1 SER 17 -3.745 1.972 6.341 140 HG SER 17 HG SER 17 -2.473 -0.459 5.933 141 H ALA 18 HN ALA 18 -6.692 -0.879 5.890 142 HA ALA 18 HA ALA 18 -8.449 1.332 5.495 143 HB1 ALA 18 HB1 ALA 18 -8.332 -0.565 3.911 144 HB2 ALA 18 HB2 ALA 18 -9.954 -0.308 4.561 145 HB3 ALA 18 HB3 ALA 18 -8.958 -1.621 5.180 146 H GLY 19 HN GLY 19 -9.676 2.074 7.034 147 HA2 GLY 19 HA2 GLY 19 -10.230 0.408 9.367 148 HA3 GLY 19 HA1 GLY 19 -10.537 2.144 9.245 149 H GLU 20 HN GLU 20 -11.441 -0.134 6.845 150 HA GLU 20 HA GLU 20 -14.259 0.531 7.261 151 HB2 GLU 20 HB2 GLU 20 -12.933 -0.662 4.816 152 HB3 GLU 20 HB1 GLU 20 -14.574 -0.050 4.941 153 HG2 GLU 20 HG2 GLU 20 -12.029 1.556 5.041 154 HG3 GLU 20 HG1 GLU 20 -13.229 1.537 3.748 155 H THR 21 HN THR 21 -15.394 -1.024 8.204 156 HA THR 21 HA THR 21 -14.370 -3.755 8.048 157 HB THR 21 HB THR 21 -16.288 -2.626 10.121 158 HG1 THR 21 HG1 THR 21 -14.589 -1.938 11.195 159 HG21 THR 21 HG21 THR 21 -14.450 -5.041 10.146 160 HG22 THR 21 HG22 THR 21 -16.199 -5.100 9.929 161 HG23 THR 21 HG23 THR 21 -15.518 -4.541 11.458 162 H ASP 22 HN ASP 22 -15.752 -2.608 5.964 163 HA ASP 22 HA ASP 22 -17.792 -4.536 5.530 164 HB2 ASP 22 HB2 ASP 22 -19.565 -3.028 4.981 165 HB3 ASP 22 HB1 ASP 22 -18.979 -2.446 6.527 166 H GLY 23 HN GLY 23 -18.137 -4.609 3.153 167 HA2 GLY 23 HA2 GLY 23 -17.342 -4.504 1.024 168 HA3 GLY 23 HA1 GLY 23 -16.620 -2.951 1.441 169 H THR 24 HN THR 24 -16.053 -6.216 2.730 170 HA THR 24 HA THR 24 -13.231 -5.710 2.692 171 HB THR 24 HB THR 24 -13.136 -8.046 3.714 172 HG1 THR 24 HG1 THR 24 -15.698 -8.091 4.517 173 HG21 THR 24 HG21 THR 24 -13.081 -6.001 5.079 174 HG22 THR 24 HG22 THR 24 -14.011 -7.266 5.885 175 HG23 THR 24 HG23 THR 24 -14.844 -5.945 5.069 176 H ASP 25 HN ASP 25 -14.157 -5.706 0.150 177 HA ASP 25 HA ASP 25 -13.520 -8.235 -1.134 178 HB2 ASP 25 HB2 ASP 25 -15.250 -6.757 -2.110 179 HB3 ASP 25 HB1 ASP 25 -14.032 -5.512 -2.351 180 H LEU 26 HN LEU 26 -12.013 -5.392 -0.095 181 HA LEU 26 HA LEU 26 -9.723 -5.502 -1.779 182 HB2 LEU 26 HB2 LEU 26 -10.360 -3.402 -0.708 183 HB3 LEU 26 HB1 LEU 26 -10.143 -4.119 0.877 184 HG LEU 26 HG LEU 26 -7.723 -4.338 0.415 185 HD11 LEU 26 HD11 LEU 26 -8.359 -2.811 -2.101 186 HD12 LEU 26 HD12 LEU 26 -7.792 -4.480 -2.002 187 HD13 LEU 26 HD13 LEU 26 -6.744 -3.161 -1.484 188 HD21 LEU 26 HD21 LEU 26 -8.837 -1.558 0.093 189 HD22 LEU 26 HD22 LEU 26 -7.202 -1.959 0.616 190 HD23 LEU 26 HD23 LEU 26 -8.582 -2.411 1.616 191 H SER 27 HN SER 27 -9.307 -7.654 -1.654 192 HA SER 27 HA SER 27 -7.262 -8.425 0.062 193 HB2 SER 27 HB2 SER 27 -9.256 -8.842 1.563 194 HB3 SER 27 HB1 SER 27 -9.909 -9.884 0.300 195 HG SER 27 HG SER 27 -7.799 -10.297 2.057 196 H GLY 28 HN GLY 28 -7.157 -10.931 -0.498 197 HA2 GLY 28 HA2 GLY 28 -6.617 -12.442 -2.182 198 HA3 GLY 28 HA1 GLY 28 -8.055 -11.850 -3.008 199 H ASP 29 HN ASP 29 -7.797 -10.725 -4.797 200 HA ASP 29 HA ASP 29 -5.091 -9.819 -5.448 201 HB2 ASP 29 HB2 ASP 29 -5.548 -10.150 -7.762 202 HB3 ASP 29 HB1 ASP 29 -6.141 -11.590 -6.955 203 H PHE 30 HN PHE 30 -4.831 -7.782 -6.189 204 HA PHE 30 HA PHE 30 -7.004 -5.875 -6.424 205 HB2 PHE 30 HB2 PHE 30 -6.609 -4.604 -4.378 206 HB3 PHE 30 HB1 PHE 30 -7.030 -6.265 -3.977 207 HD1 PHE 30 HD1 PHE 30 -5.104 -7.867 -3.450 208 HD2 PHE 30 HD2 PHE 30 -4.643 -3.632 -3.529 209 HE1 PHE 30 HE1 PHE 30 -3.099 -8.052 -2.053 210 HE2 PHE 30 HE2 PHE 30 -2.644 -3.824 -2.142 211 HZ PHE 30 HZ PHE 30 -1.767 -6.012 -1.554 212 H LEU 31 HN LEU 31 -3.750 -6.724 -6.815 213 HA LEU 31 HA LEU 31 -2.200 -4.508 -6.524 214 HB2 LEU 31 HB2 LEU 31 -1.559 -6.874 -7.027 215 HB3 LEU 31 HB1 LEU 31 -1.982 -6.573 -8.695 216 HG LEU 31 HG LEU 31 -0.246 -4.796 -8.738 217 HD11 LEU 31 HD11 LEU 31 -0.118 -4.357 -6.351 218 HD12 LEU 31 HD12 LEU 31 1.464 -4.837 -6.967 219 HD13 LEU 31 HD13 LEU 31 0.476 -5.990 -6.067 220 HD21 LEU 31 HD21 LEU 31 0.177 -7.015 -9.647 221 HD22 LEU 31 HD22 LEU 31 0.663 -7.590 -8.052 222 HD23 LEU 31 HD23 LEU 31 1.631 -6.371 -8.885 223 H ASP 32 HN ASP 32 -4.450 -5.207 -9.085 224 HA ASP 32 HA ASP 32 -3.385 -3.062 -10.791 225 HB2 ASP 32 HB2 ASP 32 -5.567 -5.069 -11.379 226 HB3 ASP 32 HB1 ASP 32 -4.905 -3.907 -12.516 227 H LEU 33 HN LEU 33 -5.568 -3.197 -8.324 228 HA LEU 33 HA LEU 33 -7.705 -1.740 -9.640 229 HB2 LEU 33 HB2 LEU 33 -7.367 -2.527 -6.750 230 HB3 LEU 33 HB1 LEU 33 -8.806 -1.798 -7.437 231 HG LEU 33 HG LEU 33 -7.701 -4.530 -8.089 232 HD11 LEU 33 HD11 LEU 33 -8.771 -4.419 -5.916 233 HD12 LEU 33 HD12 LEU 33 -9.756 -5.341 -7.052 234 HD13 LEU 33 HD13 LEU 33 -10.200 -3.686 -6.641 235 HD21 LEU 33 HD21 LEU 33 -9.716 -4.811 -9.447 236 HD22 LEU 33 HD22 LEU 33 -8.699 -3.508 -10.060 237 HD23 LEU 33 HD23 LEU 33 -10.158 -3.133 -9.141 238 H ARG 34 HN ARG 34 -8.251 0.361 -9.237 239 HA ARG 34 HA ARG 34 -6.043 2.124 -8.582 240 HB2 ARG 34 HB2 ARG 34 -8.946 2.874 -8.946 241 HB3 ARG 34 HB1 ARG 34 -7.559 3.938 -9.055 242 HG2 ARG 34 HG2 ARG 34 -8.222 1.706 -10.945 243 HG3 ARG 34 HG1 ARG 34 -8.511 3.422 -11.223 244 HD2 ARG 34 HD2 ARG 34 -6.116 3.845 -11.118 245 HD3 ARG 34 HD1 ARG 34 -5.822 2.127 -10.818 246 HE ARG 34 HE ARG 34 -7.227 2.025 -13.035 247 HH11 ARG 34 HH11 ARG 34 -4.481 4.144 -12.231 248 HH12 ARG 34 HH12 ARG 34 -3.907 4.230 -13.831 249 HH21 ARG 34 HH21 ARG 34 -6.464 2.223 -15.231 250 HH22 ARG 34 HH22 ARG 34 -5.048 3.067 -15.605 251 H PHE 35 HN PHE 35 -5.776 3.300 -6.684 252 HA PHE 35 HA PHE 35 -7.028 2.458 -4.341 253 HB2 PHE 35 HB2 PHE 35 -5.562 5.050 -4.868 254 HB3 PHE 35 HB1 PHE 35 -6.141 4.566 -3.275 255 HD1 PHE 35 HD1 PHE 35 -5.446 2.001 -2.720 256 HD2 PHE 35 HD2 PHE 35 -3.354 4.678 -5.266 257 HE1 PHE 35 HE1 PHE 35 -3.375 0.733 -2.342 258 HE2 PHE 35 HE2 PHE 35 -1.277 3.413 -4.896 259 HZ PHE 35 HZ PHE 35 -1.322 1.370 -3.474 260 H GLU 36 HN GLU 36 -7.804 5.226 -6.368 261 HA GLU 36 HA GLU 36 -9.964 6.286 -4.932 262 HB2 GLU 36 HB2 GLU 36 -10.743 7.178 -7.112 263 HB3 GLU 36 HB1 GLU 36 -9.026 7.441 -6.844 264 HG2 GLU 36 HG2 GLU 36 -8.456 5.640 -8.316 265 HG3 GLU 36 HG1 GLU 36 -10.151 5.188 -8.488 266 H ASP 37 HN ASP 37 -9.737 3.393 -6.713 267 HA ASP 37 HA ASP 37 -12.566 3.103 -7.254 268 HB2 ASP 37 HB2 ASP 37 -10.967 2.449 -8.940 269 HB3 ASP 37 HB1 ASP 37 -10.182 1.350 -7.815 270 H ILE 38 HN ILE 38 -10.147 1.909 -5.064 271 HA ILE 38 HA ILE 38 -12.045 0.008 -3.918 272 HB ILE 38 HB ILE 38 -10.133 -0.789 -2.520 273 HG12 ILE 38 HG12 ILE 38 -8.519 1.127 -4.230 274 HG13 ILE 38 HG11 ILE 38 -8.814 1.287 -2.506 275 HG21 ILE 38 HG21 ILE 38 -9.683 -0.811 -5.494 276 HG22 ILE 38 HG22 ILE 38 -10.701 -1.925 -4.574 277 HG23 ILE 38 HG23 ILE 38 -8.950 -1.921 -4.336 278 HD11 ILE 38 HD11 ILE 38 -6.574 0.465 -2.955 279 HD12 ILE 38 HD12 ILE 38 -7.244 -0.910 -3.836 280 HD13 ILE 38 HD13 ILE 38 -7.526 -0.751 -2.101 281 H GLY 39 HN GLY 39 -11.971 3.018 -3.646 282 HA2 GLY 39 HA2 GLY 39 -12.569 4.563 -2.057 283 HA3 GLY 39 HA1 GLY 39 -13.041 3.199 -1.053 284 H TYR 40 HN TYR 40 -9.818 3.932 -2.285 285 HA TYR 40 HA TYR 40 -8.938 3.971 0.487 286 HB2 TYR 40 HB2 TYR 40 -7.956 2.541 -1.707 287 HB3 TYR 40 HB1 TYR 40 -6.806 3.849 -1.454 288 HD1 TYR 40 HD1 TYR 40 -8.631 1.197 0.328 289 HD2 TYR 40 HD2 TYR 40 -5.231 3.716 0.225 290 HE1 TYR 40 HE1 TYR 40 -7.729 0.021 2.243 291 HE2 TYR 40 HE2 TYR 40 -4.301 2.542 2.166 292 HH TYR 40 HH TYR 40 -5.639 -0.368 3.377 293 H ASP 41 HN ASP 41 -8.971 5.934 1.182 294 HA ASP 41 HA ASP 41 -8.147 8.114 -0.544 295 HB2 ASP 41 HB2 ASP 41 -9.393 8.080 2.200 296 HB3 ASP 41 HB1 ASP 41 -8.758 9.552 1.484 297 H SER 42 HN SER 42 -6.866 9.854 0.637 298 HA SER 42 HA SER 42 -4.252 9.141 0.699 299 HB2 SER 42 HB2 SER 42 -4.953 11.383 0.341 300 HB3 SER 42 HB1 SER 42 -5.649 11.489 1.957 301 H LEU 43 HN LEU 43 -6.349 9.514 3.547 302 HA LEU 43 HA LEU 43 -4.374 9.355 5.507 303 HB2 LEU 43 HB2 LEU 43 -6.727 10.096 5.803 304 HB3 LEU 43 HB1 LEU 43 -7.231 8.426 5.701 305 HG LEU 43 HG LEU 43 -5.351 9.351 7.872 306 HD11 LEU 43 HD11 LEU 43 -8.353 9.355 7.859 307 HD12 LEU 43 HD12 LEU 43 -7.295 10.768 7.873 308 HD13 LEU 43 HD13 LEU 43 -7.318 9.671 9.256 309 HD21 LEU 43 HD21 LEU 43 -7.381 7.111 7.724 310 HD22 LEU 43 HD22 LEU 43 -6.319 7.458 9.087 311 HD23 LEU 43 HD23 LEU 43 -5.636 6.915 7.553 312 H ALA 44 HN ALA 44 -6.519 6.746 4.408 313 HA ALA 44 HA ALA 44 -5.160 4.736 5.855 314 HB1 ALA 44 HB1 ALA 44 -6.929 4.462 3.432 315 HB2 ALA 44 HB2 ALA 44 -7.476 4.496 5.107 316 HB3 ALA 44 HB3 ALA 44 -6.477 3.156 4.530 317 H LEU 45 HN LEU 45 -4.791 6.034 2.639 318 HA LEU 45 HA LEU 45 -3.111 4.062 1.558 319 HB2 LEU 45 HB2 LEU 45 -4.241 5.758 0.204 320 HB3 LEU 45 HB1 LEU 45 -3.250 7.007 0.926 321 HG LEU 45 HG LEU 45 -1.254 5.993 -0.095 322 HD11 LEU 45 HD11 LEU 45 -2.005 3.706 -0.212 323 HD12 LEU 45 HD12 LEU 45 -1.539 4.278 -1.818 324 HD13 LEU 45 HD13 LEU 45 -3.244 4.146 -1.383 325 HD21 LEU 45 HD21 LEU 45 -2.428 7.794 -1.233 326 HD22 LEU 45 HD22 LEU 45 -3.474 6.625 -2.042 327 HD23 LEU 45 HD23 LEU 45 -1.742 6.657 -2.390 328 H MET 46 HN MET 46 -2.351 7.102 3.212 329 HA MET 46 HA MET 46 0.432 6.714 3.031 330 HB2 MET 46 HB2 MET 46 0.705 8.609 4.512 331 HB3 MET 46 HB1 MET 46 -0.583 8.964 3.388 332 HG2 MET 46 HG2 MET 46 -1.387 9.814 5.400 333 HG3 MET 46 HG1 MET 46 -2.147 8.237 5.301 334 HE1 MET 46 HE1 MET 46 0.814 10.301 6.905 335 HE2 MET 46 HE2 MET 46 1.629 8.915 6.180 336 HE3 MET 46 HE3 MET 46 1.564 9.082 7.934 337 H GLU 47 HN GLU 47 -1.958 5.821 5.445 338 HA GLU 47 HA GLU 47 -0.137 4.919 7.379 339 HB2 GLU 47 HB2 GLU 47 -2.969 4.156 6.851 340 HB3 GLU 47 HB1 GLU 47 -2.068 3.507 8.228 341 HG2 GLU 47 HG2 GLU 47 -1.699 6.086 8.668 342 HG3 GLU 47 HG1 GLU 47 -3.168 6.205 7.696 343 H THR 48 HN THR 48 -1.448 3.391 4.563 344 HA THR 48 HA THR 48 -0.804 0.720 5.047 345 HB THR 48 HB THR 48 -0.749 2.292 2.452 346 HG1 THR 48 HG1 THR 48 -2.795 2.153 3.715 347 HG21 THR 48 HG21 THR 48 -1.103 0.120 1.345 348 HG22 THR 48 HG22 THR 48 -0.913 -0.694 2.901 349 HG23 THR 48 HG23 THR 48 0.444 0.180 2.190 350 H ALA 49 HN ALA 49 1.042 3.101 3.161 351 HA ALA 49 HA ALA 49 3.394 1.586 3.054 352 HB1 ALA 49 HB1 ALA 49 2.875 3.370 1.479 353 HB2 ALA 49 HB2 ALA 49 4.460 3.587 2.224 354 HB3 ALA 49 HB3 ALA 49 3.088 4.556 2.764 355 H ALA 50 HN ALA 50 2.250 3.957 5.386 356 HA ALA 50 HA ALA 50 4.616 4.430 6.776 357 HB1 ALA 50 HB1 ALA 50 2.568 5.728 7.085 358 HB2 ALA 50 HB2 ALA 50 3.209 5.153 8.622 359 HB3 ALA 50 HB3 ALA 50 1.817 4.350 7.888 360 H ARG 51 HN ARG 51 2.161 1.819 7.312 361 HA ARG 51 HA ARG 51 3.403 0.727 9.531 362 HB2 ARG 51 HB2 ARG 51 1.611 -0.428 7.410 363 HB3 ARG 51 HB1 ARG 51 2.115 -1.282 8.857 364 HG2 ARG 51 HG2 ARG 51 1.054 0.471 10.222 365 HG3 ARG 51 HG1 ARG 51 0.504 1.246 8.737 366 HD2 ARG 51 HD2 ARG 51 -0.785 -0.754 8.173 367 HD3 ARG 51 HD1 ARG 51 -0.234 -1.533 9.662 368 HE ARG 51 HE ARG 51 -1.596 1.027 9.863 369 HH11 ARG 51 HH11 ARG 51 -1.764 -2.514 10.440 370 HH12 ARG 51 HH12 ARG 51 -3.177 -2.371 11.375 371 HH21 ARG 51 HH21 ARG 51 -3.500 1.125 11.155 372 HH22 ARG 51 HH22 ARG 51 -4.136 -0.313 11.834 373 H LEU 52 HN LEU 52 3.818 0.334 6.109 374 HA LEU 52 HA LEU 52 5.533 -1.919 6.247 375 HB2 LEU 52 HB2 LEU 52 5.211 0.135 4.060 376 HB3 LEU 52 HB1 LEU 52 6.016 -1.416 3.893 377 HG LEU 52 HG LEU 52 3.091 -1.041 4.532 378 HD11 LEU 52 HD11 LEU 52 2.684 -1.876 2.279 379 HD12 LEU 52 HD12 LEU 52 4.422 -1.871 1.968 380 HD13 LEU 52 HD13 LEU 52 3.574 -0.355 2.268 381 HD21 LEU 52 HD21 LEU 52 4.674 -3.532 3.921 382 HD22 LEU 52 HD22 LEU 52 2.925 -3.449 4.143 383 HD23 LEU 52 HD23 LEU 52 4.006 -3.082 5.489 384 H GLU 53 HN GLU 53 6.063 1.571 6.220 385 HA GLU 53 HA GLU 53 8.863 1.540 6.051 386 HB2 GLU 53 HB2 GLU 53 7.098 3.521 7.498 387 HB3 GLU 53 HB1 GLU 53 8.806 3.747 7.192 388 HG2 GLU 53 HG2 GLU 53 8.333 3.684 4.776 389 HG3 GLU 53 HG1 GLU 53 6.611 3.587 5.145 390 H SER 54 HN SER 54 6.737 1.595 8.876 391 HA SER 54 HA SER 54 8.757 1.460 10.814 392 HB2 SER 54 HB2 SER 54 5.920 0.433 11.009 393 HB3 SER 54 HB1 SER 54 6.962 0.924 12.346 394 HG SER 54 HG SER 54 6.978 2.992 10.819 395 H ARG 55 HN ARG 55 6.862 -1.097 9.242 396 HA ARG 55 HA ARG 55 7.863 -3.258 10.719 397 HB2 ARG 55 HB2 ARG 55 5.796 -3.463 9.535 398 HB3 ARG 55 HB1 ARG 55 6.577 -3.118 7.999 399 HG2 ARG 55 HG2 ARG 55 7.822 -5.230 8.190 400 HG3 ARG 55 HG1 ARG 55 6.969 -5.572 9.695 401 HD2 ARG 55 HD2 ARG 55 4.875 -5.684 8.571 402 HD3 ARG 55 HD1 ARG 55 5.580 -5.065 7.076 403 HE ARG 55 HE ARG 55 6.906 -7.404 7.887 404 HH11 ARG 55 HH11 ARG 55 3.742 -6.437 6.490 405 HH12 ARG 55 HH12 ARG 55 3.614 -7.875 5.586 406 HH21 ARG 55 HH21 ARG 55 6.606 -9.352 6.649 407 HH22 ARG 55 HH22 ARG 55 5.259 -9.503 5.606 408 H TYR 56 HN TYR 56 8.804 -2.128 7.450 409 HA TYR 56 HA TYR 56 10.902 -4.134 7.424 410 HB2 TYR 56 HB2 TYR 56 10.021 -2.165 5.321 411 HB3 TYR 56 HB1 TYR 56 11.329 -3.320 5.115 412 HD1 TYR 56 HD2 TYR 56 10.824 -5.752 5.033 413 HD2 TYR 56 HD1 TYR 56 7.738 -2.835 5.158 414 HE1 TYR 56 HE2 TYR 56 9.210 -7.436 4.252 415 HE2 TYR 56 HE1 TYR 56 6.122 -4.504 4.380 416 HH TYR 56 HH TYR 56 6.109 -6.605 3.146 417 H GLY 57 HN GLY 57 10.619 -0.771 8.117 418 HA2 GLY 57 HA2 GLY 57 12.250 0.562 9.049 419 HA3 GLY 57 HA1 GLY 57 13.441 -0.689 8.696 420 H VAL 58 HN VAL 58 11.287 1.518 6.956 421 HA VAL 58 HA VAL 58 13.539 2.264 5.286 422 HB VAL 58 HB VAL 58 12.152 2.323 3.220 423 HG11 VAL 58 HG11 VAL 58 12.128 -0.079 2.761 424 HG12 VAL 58 HG12 VAL 58 12.338 -0.404 4.483 425 HG13 VAL 58 HG13 VAL 58 13.606 0.424 3.582 426 HG21 VAL 58 HG21 VAL 58 9.936 2.460 4.241 427 HG22 VAL 58 HG22 VAL 58 10.106 0.810 4.846 428 HG23 VAL 58 HG23 VAL 58 10.034 1.110 3.109 429 H SER 59 HN SER 59 12.887 4.199 3.847 430 HA SER 59 HA SER 59 11.124 6.043 5.302 431 HB2 SER 59 HB2 SER 59 13.894 6.759 4.276 432 HB3 SER 59 HB1 SER 59 12.815 7.781 5.224 433 HG SER 59 HG SER 59 13.383 6.778 7.011 434 H ILE 60 HN ILE 60 9.602 6.468 3.770 435 HA ILE 60 HA ILE 60 10.352 6.547 0.954 436 HB ILE 60 HB ILE 60 7.633 6.700 2.291 437 HG12 ILE 60 HG12 ILE 60 8.962 4.438 0.780 438 HG13 ILE 60 HG11 ILE 60 8.795 4.530 2.529 439 HG21 ILE 60 HG21 ILE 60 8.333 6.442 -0.640 440 HG22 ILE 60 HG22 ILE 60 7.621 7.859 0.133 441 HG23 ILE 60 HG23 ILE 60 6.708 6.352 0.036 442 HD11 ILE 60 HD11 ILE 60 7.149 3.045 1.547 443 HD12 ILE 60 HD12 ILE 60 6.544 4.366 0.544 444 HD13 ILE 60 HD13 ILE 60 6.371 4.441 2.297 445 HA PRO 61 HA PRO 61 10.577 11.039 1.019 446 HB2 PRO 61 HB2 PRO 61 10.402 10.752 -1.923 447 HB3 PRO 61 HB1 PRO 61 11.672 11.495 -0.944 448 HG2 PRO 61 HG2 PRO 61 12.076 9.154 -2.155 449 HG3 PRO 61 HG1 PRO 61 12.725 9.471 -0.534 450 HD2 PRO 61 HD2 PRO 61 10.281 7.924 -1.324 451 HD3 PRO 61 HD1 PRO 61 11.531 7.508 -0.133 452 H ASP 62 HN ASP 62 9.158 12.630 0.905 453 HA ASP 62 HA ASP 62 6.438 12.145 1.024 454 HB2 ASP 62 HB2 ASP 62 7.342 14.011 2.164 455 HB3 ASP 62 HB1 ASP 62 7.924 14.733 0.671 456 H ASP 63 HN ASP 63 8.193 13.528 -1.728 457 HA ASP 63 HA ASP 63 5.731 14.160 -3.088 458 HB2 ASP 63 HB2 ASP 63 7.020 14.929 -4.955 459 HB3 ASP 63 HB1 ASP 63 7.858 15.427 -3.495 460 H VAL 64 HN VAL 64 7.472 11.320 -2.763 461 HA VAL 64 HA VAL 64 6.784 10.219 -5.333 462 HB VAL 64 HB VAL 64 7.817 8.820 -2.881 463 HG11 VAL 64 HG11 VAL 64 8.675 7.123 -4.477 464 HG12 VAL 64 HG12 VAL 64 7.908 8.009 -5.798 465 HG13 VAL 64 HG13 VAL 64 6.918 7.266 -4.543 466 HG21 VAL 64 HG21 VAL 64 10.062 9.034 -3.879 467 HG22 VAL 64 HG22 VAL 64 9.333 10.597 -3.508 468 HG23 VAL 64 HG23 VAL 64 9.369 10.013 -5.171 469 H ALA 65 HN ALA 65 5.261 10.628 -2.397 470 HA ALA 65 HA ALA 65 3.586 8.379 -2.152 471 HB1 ALA 65 HB1 ALA 65 3.862 10.095 -0.392 472 HB2 ALA 65 HB2 ALA 65 2.176 9.739 -0.736 473 HB3 ALA 65 HB3 ALA 65 2.906 11.219 -1.362 474 H GLY 66 HN GLY 66 3.054 11.399 -3.909 475 HA2 GLY 66 HA2 GLY 66 0.391 10.763 -4.643 476 HA3 GLY 66 HA1 GLY 66 1.368 12.064 -5.283 477 H ARG 67 HN ARG 67 3.079 9.239 -5.795 478 HA ARG 67 HA ARG 67 2.268 9.347 -8.603 479 HB2 ARG 67 HB2 ARG 67 4.254 8.209 -9.172 480 HB3 ARG 67 HB1 ARG 67 4.733 9.275 -7.861 481 HG2 ARG 67 HG2 ARG 67 4.761 7.481 -6.297 482 HG3 ARG 67 HG1 ARG 67 3.998 6.394 -7.450 483 HD2 ARG 67 HD2 ARG 67 6.051 6.685 -8.881 484 HD3 ARG 67 HD1 ARG 67 6.788 7.510 -7.500 485 HE ARG 67 HE ARG 67 5.965 5.305 -6.349 486 HH11 ARG 67 HH11 ARG 67 7.824 5.740 -9.344 487 HH12 ARG 67 HH12 ARG 67 8.440 4.156 -9.359 488 HH21 ARG 67 HH21 ARG 67 6.819 3.077 -6.392 489 HH22 ARG 67 HH22 ARG 67 7.885 2.627 -7.627 490 H VAL 68 HN VAL 68 1.807 7.380 -5.828 491 HA VAL 68 HA VAL 68 1.450 4.993 -7.397 492 HB VAL 68 HB VAL 68 1.136 3.797 -5.228 493 HG11 VAL 68 HG11 VAL 68 3.344 4.002 -6.174 494 HG12 VAL 68 HG12 VAL 68 3.419 4.074 -4.413 495 HG13 VAL 68 HG13 VAL 68 3.571 5.551 -5.365 496 HG21 VAL 68 HG21 VAL 68 0.156 5.589 -3.874 497 HG22 VAL 68 HG22 VAL 68 1.678 6.486 -3.969 498 HG23 VAL 68 HG23 VAL 68 1.619 4.936 -3.131 499 H ASP 69 HN ASP 69 -0.257 5.161 -8.587 500 HA ASP 69 HA ASP 69 -2.827 5.886 -7.392 501 HB2 ASP 69 HB2 ASP 69 -2.269 6.956 -9.512 502 HB3 ASP 69 HB1 ASP 69 -1.991 5.390 -10.257 503 H THR 70 HN THR 70 -1.012 3.252 -8.605 504 HA THR 70 HA THR 70 -3.213 1.440 -7.892 505 HB THR 70 HB THR 70 -2.045 -0.247 -9.384 506 HG1 THR 70 HG1 THR 70 -0.560 2.072 -10.132 507 HG21 THR 70 HG21 THR 70 -4.028 0.932 -10.173 508 HG22 THR 70 HG22 THR 70 -2.894 0.688 -11.500 509 HG23 THR 70 HG23 THR 70 -3.033 2.274 -10.736 510 HA PRO 71 HA PRO 71 -0.670 -0.165 -4.579 511 HB2 PRO 71 HB2 PRO 71 -1.577 -2.880 -5.388 512 HB3 PRO 71 HB1 PRO 71 -1.737 -2.065 -3.828 513 HG2 PRO 71 HG2 PRO 71 -3.846 -2.366 -5.410 514 HG3 PRO 71 HG1 PRO 71 -3.604 -0.862 -4.499 515 HD2 PRO 71 HD2 PRO 71 -3.082 -1.430 -7.392 516 HD3 PRO 71 HD1 PRO 71 -3.815 0.002 -6.638 517 H ARG 72 HN ARG 72 -0.591 -1.552 -7.715 518 HA ARG 72 HA ARG 72 1.659 -3.129 -7.850 519 HB2 ARG 72 HB2 ARG 72 0.052 -2.606 -9.666 520 HB3 ARG 72 HB1 ARG 72 0.767 -1.011 -9.806 521 HG2 ARG 72 HG2 ARG 72 2.923 -2.132 -10.387 522 HG3 ARG 72 HG1 ARG 72 2.028 -3.658 -10.455 523 HD2 ARG 72 HD2 ARG 72 1.510 -1.179 -12.085 524 HD3 ARG 72 HD1 ARG 72 2.215 -2.679 -12.666 525 HE ARG 72 HE ARG 72 0.043 -3.743 -12.122 526 HH11 ARG 72 HH11 ARG 72 0.031 -0.179 -12.669 527 HH12 ARG 72 HH12 ARG 72 -1.489 -0.189 -13.404 528 HH21 ARG 72 HH21 ARG 72 -2.129 -3.647 -13.080 529 HH22 ARG 72 HH22 ARG 72 -2.733 -2.158 -13.644 530 H GLU 73 HN GLU 73 1.448 0.385 -8.261 531 HA GLU 73 HA GLU 73 4.221 0.886 -8.504 532 HB2 GLU 73 HB2 GLU 73 1.988 2.753 -7.733 533 HB3 GLU 73 HB1 GLU 73 3.577 3.215 -8.338 534 HG2 GLU 73 HG2 GLU 73 3.118 2.206 -10.460 535 HG3 GLU 73 HG1 GLU 73 1.589 1.570 -9.864 536 H LEU 74 HN LEU 74 1.984 0.799 -5.841 537 HA LEU 74 HA LEU 74 3.649 2.034 -3.894 538 HB2 LEU 74 HB2 LEU 74 1.115 1.683 -3.785 539 HB3 LEU 74 HB1 LEU 74 1.434 0.014 -3.405 540 HG LEU 74 HG LEU 74 0.785 1.396 -1.443 541 HD11 LEU 74 HD11 LEU 74 2.055 -0.615 -1.035 542 HD12 LEU 74 HD12 LEU 74 2.494 0.654 0.108 543 HD13 LEU 74 HD13 LEU 74 3.564 0.277 -1.244 544 HD21 LEU 74 HD21 LEU 74 1.806 3.494 -2.085 545 HD22 LEU 74 HD22 LEU 74 3.413 2.787 -1.915 546 HD23 LEU 74 HD23 LEU 74 2.383 2.991 -0.496 547 H LEU 75 HN LEU 75 2.982 -1.319 -4.765 548 HA LEU 75 HA LEU 75 4.676 -2.711 -3.070 549 HB2 LEU 75 HB2 LEU 75 3.046 -3.760 -4.554 550 HB3 LEU 75 HB1 LEU 75 3.939 -3.216 -5.953 551 HG LEU 75 HG LEU 75 5.802 -4.712 -5.308 552 HD11 LEU 75 HD11 LEU 75 5.410 -6.432 -3.627 553 HD12 LEU 75 HD12 LEU 75 3.874 -5.665 -3.210 554 HD13 LEU 75 HD13 LEU 75 5.392 -4.815 -2.926 555 HD21 LEU 75 HD21 LEU 75 4.678 -6.786 -5.939 556 HD22 LEU 75 HD22 LEU 75 4.136 -5.428 -6.921 557 HD23 LEU 75 HD23 LEU 75 3.114 -6.036 -5.617 558 H ASP 76 HN ASP 76 5.286 -1.394 -6.280 559 HA ASP 76 HA ASP 76 7.980 -2.006 -6.595 560 HB2 ASP 76 HB2 ASP 76 6.662 -1.147 -8.433 561 HB3 ASP 76 HB1 ASP 76 6.435 0.387 -7.603 562 H LEU 77 HN LEU 77 6.481 0.789 -5.074 563 HA LEU 77 HA LEU 77 8.811 2.292 -4.620 564 HB2 LEU 77 HB2 LEU 77 6.643 3.317 -4.556 565 HB3 LEU 77 HB1 LEU 77 6.125 2.273 -3.246 566 HG LEU 77 HG LEU 77 7.639 3.416 -1.795 567 HD11 LEU 77 HD11 LEU 77 8.255 5.147 -4.197 568 HD12 LEU 77 HD12 LEU 77 9.378 4.046 -3.393 569 HD13 LEU 77 HD13 LEU 77 8.789 5.478 -2.548 570 HD21 LEU 77 HD21 LEU 77 5.818 5.234 -3.353 571 HD22 LEU 77 HD22 LEU 77 6.457 5.580 -1.748 572 HD23 LEU 77 HD23 LEU 77 5.371 4.212 -1.987 573 H ILE 78 HN ILE 78 7.103 -0.046 -2.626 574 HA ILE 78 HA ILE 78 8.770 0.239 -0.349 575 HB ILE 78 HB ILE 78 7.088 -2.149 -1.170 576 HG12 ILE 78 HG12 ILE 78 5.729 -0.124 -0.970 577 HG13 ILE 78 HG11 ILE 78 5.389 -1.225 0.356 578 HG21 ILE 78 HG21 ILE 78 8.241 -1.392 1.519 579 HG22 ILE 78 HG22 ILE 78 8.756 -2.741 0.506 580 HG23 ILE 78 HG23 ILE 78 7.142 -2.739 1.219 581 HD11 ILE 78 HD11 ILE 78 6.775 0.139 1.838 582 HD12 ILE 78 HD12 ILE 78 5.478 1.086 1.111 583 HD13 ILE 78 HD13 ILE 78 7.129 1.233 0.502 584 H ASN 79 HN ASN 79 8.661 -2.239 -2.919 585 HA ASN 79 HA ASN 79 10.908 -3.631 -1.949 586 HB2 ASN 79 HB2 ASN 79 9.586 -3.686 -4.658 587 HB3 ASN 79 HB1 ASN 79 11.005 -4.663 -4.290 588 HD21 ASN 79 HD21 ASN 79 8.321 -5.531 -4.954 589 HD22 ASN 79 HD22 ASN 79 7.774 -6.487 -3.612 590 H GLY 80 HN GLY 80 10.684 -0.946 -4.178 591 HA2 GLY 80 HA2 GLY 80 13.349 -0.964 -5.072 592 HA3 GLY 80 HA1 GLY 80 12.309 0.455 -4.974 593 H ALA 81 HN ALA 81 11.838 0.350 -2.192 594 HA ALA 81 HA ALA 81 14.208 1.586 -1.184 595 HB1 ALA 81 HB1 ALA 81 11.975 2.348 -0.507 596 HB2 ALA 81 HB2 ALA 81 12.928 1.854 0.893 597 HB3 ALA 81 HB3 ALA 81 11.673 0.788 0.260 598 H LEU 82 HN LEU 82 12.546 -1.458 -0.710 599 HA LEU 82 HA LEU 82 14.151 -2.512 1.335 600 HB2 LEU 82 HB2 LEU 82 12.559 -3.938 -0.781 601 HB3 LEU 82 HB1 LEU 82 13.341 -4.752 0.559 602 HG LEU 82 HG LEU 82 11.129 -2.715 0.768 603 HD11 LEU 82 HD11 LEU 82 10.379 -4.877 -0.059 604 HD12 LEU 82 HD12 LEU 82 9.810 -4.599 1.586 605 HD13 LEU 82 HD13 LEU 82 11.172 -5.683 1.295 606 HD21 LEU 82 HD21 LEU 82 12.687 -2.547 2.631 607 HD22 LEU 82 HD22 LEU 82 12.555 -4.284 2.907 608 HD23 LEU 82 HD23 LEU 82 11.151 -3.242 3.149 609 H ALA 83 HN ALA 83 14.683 -2.357 -2.077 610 HA ALA 83 HA ALA 83 16.748 -4.242 -2.279 611 HB1 ALA 83 HB1 ALA 83 15.664 -3.223 -4.231 612 HB2 ALA 83 HB2 ALA 83 17.420 -3.048 -4.305 613 HB3 ALA 83 HB3 ALA 83 16.418 -1.675 -3.843 614 H GLU 84 HN GLU 84 16.731 -0.901 -1.209 615 HA GLU 84 HA GLU 84 19.609 -0.741 -1.007 616 HB2 GLU 84 HB2 GLU 84 17.469 1.153 -0.025 617 HB3 GLU 84 HB1 GLU 84 19.191 1.490 -0.092 618 HG2 GLU 84 HG2 GLU 84 17.369 1.013 -2.435 619 HG3 GLU 84 HG1 GLU 84 18.055 2.554 -1.928 620 H ALA 85 HN ALA 85 16.951 -1.666 0.914 621 HA ALA 85 HA ALA 85 18.068 -1.200 3.471 622 HB1 ALA 85 HB1 ALA 85 15.866 -3.109 2.677 623 HB2 ALA 85 HB2 ALA 85 15.646 -1.420 3.126 624 HB3 ALA 85 HB3 ALA 85 16.239 -2.579 4.317 625 H ALA 86 HN ALA 86 19.938 -2.043 3.855 626 HA ALA 86 HA ALA 86 20.228 -4.848 4.243 627 HB1 ALA 86 HB1 ALA 86 22.005 -3.394 2.255 628 HB2 ALA 86 HB2 ALA 86 20.874 -4.690 1.869 629 HB3 ALA 86 HB3 ALA 86 22.288 -5.022 2.871 630 H28 SXH 87 H28B SXH 87 -1.109 11.495 3.011 631 H28A SXH 87 H28A SXH 87 -1.276 12.384 4.523 632 H30 SXH 87 H30C SXH 87 1.227 11.335 3.700 633 H30A SXH 87 H30A SXH 87 0.993 12.430 5.062 634 H30B SXH 87 H30B SXH 87 2.237 12.778 3.856 635 H31 SXH 87 H31A SXH 87 -0.170 13.553 1.135 636 H31A SXH 87 H31C SXH 87 1.548 13.524 1.533 637 H31B SXH 87 H31B SXH 87 0.643 12.014 1.419 638 H32 SXH 87 H32A SXH 87 -0.009 14.718 4.722 639 HO33 SXH 87 H33A SXH 87 -1.435 14.637 2.723 640 HN36 SXH 87 H36A SXH 87 2.275 14.705 5.089 641 H37 SXH 87 H37A SXH 87 4.271 15.657 3.258 642 H37A SXH 87 H37B SXH 87 3.686 16.938 4.294 643 H38 SXH 87 H38A SXH 87 5.650 16.060 5.246 644 H38A SXH 87 H38B SXH 87 4.292 15.633 6.308 645 HN41 SXH 87 H41A SXH 87 4.936 13.911 3.357 646 H42 SXH 87 H42A SXH 87 6.474 12.048 3.132 647 H42A SXH 87 H42B SXH 87 6.157 11.672 4.825 648 H43 SXH 87 H43A SXH 87 4.173 11.475 2.567 649 H43A SXH 87 H43B SXH 87 3.835 11.149 4.273 650 H2 SXH 87 H2A SXH 87 2.737 6.847 2.985 651 H2A SXH 87 H2B SXH 87 4.329 6.834 3.747 652 H3 SXH 87 H3A SXH 87 4.494 5.727 1.635 653 H3A SXH 87 H3B SXH 87 5.294 7.293 1.471 654 H4 SXH 87 H4B SXH 87 3.297 8.206 0.410 655 H4A SXH 87 H4A SXH 87 3.944 6.825 -0.479 656 H5 SXH 87 H5A SXH 87 1.621 6.740 1.448 657 H5A SXH 87 H5B SXH 87 2.237 5.378 0.492 658 H6 SXH 87 H6C SXH 87 1.088 7.948 -0.579 659 H6A SXH 87 H6A SXH 87 0.272 6.386 -0.549 660 H6B SXH 87 H6B SXH 87 1.705 6.612 -1.552 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 20.369 -12.909 0.442 2 H2 MET 1 HT2 MET 1 20.089 -14.480 -0.118 3 H3 MET 1 HT3 MET 1 19.159 -13.808 1.152 4 HA MET 1 HA MET 1 19.258 -12.642 -1.539 5 HB2 MET 1 HB2 MET 1 16.989 -13.486 -1.897 6 HB3 MET 1 HB1 MET 1 18.065 -14.835 -1.587 7 HG2 MET 1 HG2 MET 1 17.236 -15.011 0.686 8 HG3 MET 1 HG1 MET 1 16.209 -13.596 0.439 9 HE1 MET 1 HE1 MET 1 16.876 -17.343 -0.548 10 HE2 MET 1 HE2 MET 1 16.955 -16.522 -2.105 11 HE3 MET 1 HE3 MET 1 15.624 -17.627 -1.756 12 H ALA 2 HN ALA 2 17.076 -11.253 -1.639 13 HA ALA 2 HA ALA 2 17.085 -9.717 0.847 14 HB1 ALA 2 HB1 ALA 2 16.434 -8.820 -1.966 15 HB2 ALA 2 HB2 ALA 2 17.926 -8.472 -1.094 16 HB3 ALA 2 HB3 ALA 2 16.396 -7.802 -0.526 17 H THR 3 HN THR 3 15.247 -9.516 1.903 18 HA THR 3 HA THR 3 12.938 -10.995 1.139 19 HB THR 3 HB THR 3 13.389 -8.991 3.320 20 HG1 THR 3 HG1 THR 3 14.252 -10.580 4.466 21 HG21 THR 3 HG21 THR 3 11.298 -11.160 3.041 22 HG22 THR 3 HG22 THR 3 11.011 -9.423 2.925 23 HG23 THR 3 HG23 THR 3 11.513 -10.134 4.461 24 H LEU 4 HN LEU 4 11.834 -10.168 -0.565 25 HA LEU 4 HA LEU 4 11.311 -7.300 -0.702 26 HB2 LEU 4 HB2 LEU 4 10.751 -9.521 -2.679 27 HB3 LEU 4 HB1 LEU 4 10.504 -7.808 -2.967 28 HG LEU 4 HG LEU 4 13.178 -9.143 -2.524 29 HD11 LEU 4 HD11 LEU 4 13.577 -8.647 -4.878 30 HD12 LEU 4 HD12 LEU 4 11.929 -8.036 -5.027 31 HD13 LEU 4 HD13 LEU 4 12.207 -9.738 -4.664 32 HD21 LEU 4 HD21 LEU 4 14.122 -6.979 -3.167 33 HD22 LEU 4 HD22 LEU 4 13.150 -6.846 -1.701 34 HD23 LEU 4 HD23 LEU 4 12.499 -6.293 -3.243 35 H LEU 5 HN LEU 5 8.953 -6.805 -1.389 36 HA LEU 5 HA LEU 5 7.263 -8.217 0.502 37 HB2 LEU 5 HB2 LEU 5 7.498 -5.654 0.276 38 HB3 LEU 5 HB1 LEU 5 6.576 -5.824 -1.199 39 HG LEU 5 HG LEU 5 4.750 -6.869 0.204 40 HD11 LEU 5 HD11 LEU 5 4.813 -6.384 2.597 41 HD12 LEU 5 HD12 LEU 5 6.457 -5.767 2.422 42 HD13 LEU 5 HD13 LEU 5 6.116 -7.469 2.115 43 HD21 LEU 5 HD21 LEU 5 5.547 -4.026 0.821 44 HD22 LEU 5 HD22 LEU 5 3.934 -4.713 1.008 45 HD23 LEU 5 HD23 LEU 5 4.649 -4.564 -0.598 46 H THR 6 HN THR 6 5.719 -9.663 -0.228 47 HA THR 6 HA THR 6 5.458 -9.802 -3.120 48 HB THR 6 HB THR 6 4.563 -12.072 -2.811 49 HG1 THR 6 HG1 THR 6 5.145 -11.712 -0.032 50 HG21 THR 6 HG21 THR 6 6.986 -11.803 -3.072 51 HG22 THR 6 HG22 THR 6 6.619 -13.157 -2.006 52 HG23 THR 6 HG23 THR 6 7.159 -11.622 -1.325 53 H THR 7 HN THR 7 3.138 -10.867 -3.657 54 HA THR 7 HA THR 7 1.253 -8.888 -3.462 55 HB THR 7 HB THR 7 0.681 -11.834 -3.788 56 HG1 THR 7 HG1 THR 7 1.108 -10.905 -6.144 57 HG21 THR 7 HG21 THR 7 -0.532 -9.332 -5.009 58 HG22 THR 7 HG22 THR 7 -1.259 -10.277 -3.719 59 HG23 THR 7 HG23 THR 7 -1.058 -10.987 -5.323 60 H ASP 8 HN ASP 8 1.370 -11.986 -1.663 61 HA ASP 8 HA ASP 8 -0.838 -11.534 -0.016 62 HB2 ASP 8 HB2 ASP 8 0.088 -13.737 -0.172 63 HB3 ASP 8 HB1 ASP 8 1.636 -13.189 0.464 64 H ASP 9 HN ASP 9 2.554 -10.740 0.502 65 HA ASP 9 HA ASP 9 2.268 -9.867 3.200 66 HB2 ASP 9 HB2 ASP 9 4.353 -8.913 1.227 67 HB3 ASP 9 HB1 ASP 9 4.431 -8.773 2.968 68 H LEU 10 HN LEU 10 2.126 -8.234 0.113 69 HA LEU 10 HA LEU 10 1.796 -5.594 1.070 70 HB2 LEU 10 HB2 LEU 10 2.431 -6.171 -1.253 71 HB3 LEU 10 HB1 LEU 10 0.856 -6.886 -1.504 72 HG LEU 10 HG LEU 10 -0.155 -4.618 -1.170 73 HD11 LEU 10 HD11 LEU 10 1.292 -2.662 -1.348 74 HD12 LEU 10 HD12 LEU 10 2.712 -3.705 -1.270 75 HD13 LEU 10 HD13 LEU 10 1.627 -3.588 0.115 76 HD21 LEU 10 HD21 LEU 10 0.219 -5.526 -3.397 77 HD22 LEU 10 HD22 LEU 10 1.863 -4.887 -3.392 78 HD23 LEU 10 HD23 LEU 10 0.490 -3.782 -3.379 79 H ARG 11 HN ARG 11 -0.479 -8.040 -0.101 80 HA ARG 11 HA ARG 11 -2.869 -6.738 0.287 81 HB2 ARG 11 HB2 ARG 11 -2.633 -8.901 -0.884 82 HB3 ARG 11 HB1 ARG 11 -2.384 -9.696 0.666 83 HG2 ARG 11 HG2 ARG 11 -4.619 -9.073 1.374 84 HG3 ARG 11 HG1 ARG 11 -4.866 -8.189 -0.133 85 HD2 ARG 11 HD2 ARG 11 -5.951 -10.301 -0.327 86 HD3 ARG 11 HD1 ARG 11 -4.527 -10.319 -1.359 87 HE ARG 11 HE ARG 11 -4.248 -11.473 1.306 88 HH11 ARG 11 HH11 ARG 11 -4.340 -12.016 -2.182 89 HH12 ARG 11 HH12 ARG 11 -4.259 -13.722 -2.020 90 HH21 ARG 11 HH21 ARG 11 -4.046 -13.750 1.464 91 HH22 ARG 11 HH22 ARG 11 -4.079 -14.711 0.027 92 H ARG 12 HN ARG 12 -1.135 -8.810 2.588 93 HA ARG 12 HA ARG 12 -2.986 -8.637 4.640 94 HB2 ARG 12 HB2 ARG 12 -0.018 -9.083 4.749 95 HB3 ARG 12 HB1 ARG 12 -1.051 -9.159 6.168 96 HG2 ARG 12 HG2 ARG 12 -2.345 -10.965 5.101 97 HG3 ARG 12 HG1 ARG 12 -1.240 -10.908 3.727 98 HD2 ARG 12 HD2 ARG 12 -0.421 -11.480 6.574 99 HD3 ARG 12 HD1 ARG 12 -0.711 -12.709 5.344 100 HE ARG 12 HE ARG 12 1.160 -11.994 4.181 101 HH11 ARG 12 HH11 ARG 12 0.816 -10.414 7.364 102 HH12 ARG 12 HH12 ARG 12 2.437 -9.890 7.428 103 HH21 ARG 12 HH21 ARG 12 3.496 -11.238 4.380 104 HH22 ARG 12 HH22 ARG 12 3.902 -10.353 5.782 105 H ALA 13 HN ALA 13 -0.154 -6.590 4.056 106 HA ALA 13 HA ALA 13 -0.481 -4.980 6.340 107 HB1 ALA 13 HB1 ALA 13 1.031 -3.409 5.233 108 HB2 ALA 13 HB2 ALA 13 0.797 -4.256 3.704 109 HB3 ALA 13 HB3 ALA 13 1.599 -5.069 5.050 110 H LEU 14 HN LEU 14 -1.669 -4.590 3.005 111 HA LEU 14 HA LEU 14 -2.947 -2.169 3.422 112 HB2 LEU 14 HB2 LEU 14 -3.132 -4.378 1.436 113 HB3 LEU 14 HB1 LEU 14 -4.336 -3.114 1.416 114 HG LEU 14 HG LEU 14 -2.398 -2.954 -0.171 115 HD11 LEU 14 HD11 LEU 14 -2.914 -0.622 1.702 116 HD12 LEU 14 HD12 LEU 14 -3.892 -1.050 0.298 117 HD13 LEU 14 HD13 LEU 14 -2.238 -0.471 0.080 118 HD21 LEU 14 HD21 LEU 14 -0.545 -3.448 1.295 119 HD22 LEU 14 HD22 LEU 14 -0.918 -2.044 2.293 120 HD23 LEU 14 HD23 LEU 14 -0.350 -1.822 0.637 121 H VAL 15 HN VAL 15 -4.203 -5.519 3.645 122 HA VAL 15 HA VAL 15 -6.753 -4.546 4.381 123 HB VAL 15 HB VAL 15 -6.452 -6.781 3.296 124 HG11 VAL 15 HG11 VAL 15 -5.953 -8.745 4.603 125 HG12 VAL 15 HG12 VAL 15 -5.515 -7.711 5.976 126 HG13 VAL 15 HG13 VAL 15 -4.605 -7.618 4.459 127 HG21 VAL 15 HG21 VAL 15 -8.214 -7.959 4.534 128 HG22 VAL 15 HG22 VAL 15 -8.577 -6.251 4.286 129 HG23 VAL 15 HG23 VAL 15 -8.019 -6.814 5.862 130 H GLU 16 HN GLU 16 -3.944 -4.870 6.162 131 HA GLU 16 HA GLU 16 -5.259 -4.807 8.719 132 HB2 GLU 16 HB2 GLU 16 -2.424 -4.147 7.933 133 HB3 GLU 16 HB1 GLU 16 -3.020 -4.115 9.583 134 HG2 GLU 16 HG2 GLU 16 -3.541 -6.507 9.410 135 HG3 GLU 16 HG1 GLU 16 -2.856 -6.508 7.781 136 H SER 17 HN SER 17 -4.440 -2.538 6.278 137 HA SER 17 HA SER 17 -4.613 -0.269 8.052 138 HB2 SER 17 HB2 SER 17 -4.449 -0.368 5.028 139 HB3 SER 17 HB1 SER 17 -4.240 1.058 6.040 140 HG SER 17 HG SER 17 -2.578 -1.261 6.099 141 H ALA 18 HN ALA 18 -6.406 -1.245 5.095 142 HA ALA 18 HA ALA 18 -8.652 0.357 5.900 143 HB1 ALA 18 HB1 ALA 18 -9.679 -0.350 3.813 144 HB2 ALA 18 HB2 ALA 18 -8.396 -1.531 3.563 145 HB3 ALA 18 HB3 ALA 18 -8.025 0.194 3.532 146 H GLY 19 HN GLY 19 -9.821 -0.355 7.493 147 HA2 GLY 19 HA2 GLY 19 -11.304 -2.800 7.131 148 HA3 GLY 19 HA1 GLY 19 -10.209 -2.825 8.509 149 H GLU 20 HN GLU 20 -10.333 -0.728 9.824 150 HA GLU 20 HA GLU 20 -13.116 -0.515 10.633 151 HB2 GLU 20 HB2 GLU 20 -10.589 0.390 12.016 152 HB3 GLU 20 HB1 GLU 20 -12.206 0.393 12.717 153 HG2 GLU 20 HG2 GLU 20 -12.296 -2.058 12.396 154 HG3 GLU 20 HG1 GLU 20 -10.623 -2.012 11.850 155 H THR 21 HN THR 21 -11.565 0.924 8.418 156 HA THR 21 HA THR 21 -12.648 3.573 8.945 157 HB THR 21 HB THR 21 -11.150 4.047 6.832 158 HG1 THR 21 HG1 THR 21 -9.193 2.600 7.192 159 HG21 THR 21 HG21 THR 21 -9.247 4.552 8.303 160 HG22 THR 21 HG22 THR 21 -9.954 3.534 9.561 161 HG23 THR 21 HG23 THR 21 -10.773 5.011 9.054 162 H ASP 22 HN ASP 22 -14.095 1.267 8.339 163 HA ASP 22 HA ASP 22 -15.534 0.204 7.001 164 HB2 ASP 22 HB2 ASP 22 -16.598 2.538 7.336 165 HB3 ASP 22 HB1 ASP 22 -16.056 2.836 5.679 166 H GLY 23 HN GLY 23 -14.042 -1.019 5.890 167 HA2 GLY 23 HA2 GLY 23 -14.008 -0.442 3.057 168 HA3 GLY 23 HA1 GLY 23 -12.433 -0.453 3.837 169 H THR 24 HN THR 24 -14.404 -2.232 2.072 170 HA THR 24 HA THR 24 -13.179 -4.691 3.061 171 HB THR 24 HB THR 24 -15.297 -5.909 2.229 172 HG1 THR 24 HG1 THR 24 -15.998 -3.465 1.502 173 HG21 THR 24 HG21 THR 24 -14.774 -5.670 4.616 174 HG22 THR 24 HG22 THR 24 -16.508 -5.528 4.332 175 HG23 THR 24 HG23 THR 24 -15.541 -4.084 4.628 176 H ASP 25 HN ASP 25 -13.764 -6.490 1.120 177 HA ASP 25 HA ASP 25 -13.234 -7.264 -0.909 178 HB2 ASP 25 HB2 ASP 25 -14.261 -4.562 -1.702 179 HB3 ASP 25 HB1 ASP 25 -13.536 -5.613 -2.915 180 H LEU 26 HN LEU 26 -11.212 -6.050 0.694 181 HA LEU 26 HA LEU 26 -9.339 -5.132 -1.347 182 HB2 LEU 26 HB2 LEU 26 -9.597 -3.781 0.688 183 HB3 LEU 26 HB1 LEU 26 -9.093 -5.143 1.660 184 HG LEU 26 HG LEU 26 -6.847 -5.023 0.713 185 HD11 LEU 26 HD11 LEU 26 -6.224 -3.181 -0.776 186 HD12 LEU 26 HD12 LEU 26 -7.907 -2.657 -0.845 187 HD13 LEU 26 HD13 LEU 26 -7.440 -4.215 -1.528 188 HD21 LEU 26 HD21 LEU 26 -7.416 -3.703 2.676 189 HD22 LEU 26 HD22 LEU 26 -7.889 -2.360 1.638 190 HD23 LEU 26 HD23 LEU 26 -6.207 -2.890 1.684 191 H SER 27 HN SER 27 -10.107 -7.822 0.633 192 HA SER 27 HA SER 27 -7.571 -9.111 0.192 193 HB2 SER 27 HB2 SER 27 -10.167 -10.260 1.234 194 HB3 SER 27 HB1 SER 27 -8.580 -11.025 1.331 195 HG SER 27 HG SER 27 -9.564 -8.749 2.657 196 H GLY 28 HN GLY 28 -7.322 -9.222 -2.005 197 HA2 GLY 28 HA2 GLY 28 -8.170 -11.434 -3.388 198 HA3 GLY 28 HA1 GLY 28 -9.329 -10.165 -3.786 199 H ASP 29 HN ASP 29 -8.735 -9.777 -5.880 200 HA ASP 29 HA ASP 29 -5.933 -9.191 -6.445 201 HB2 ASP 29 HB2 ASP 29 -7.062 -10.610 -8.072 202 HB3 ASP 29 HB1 ASP 29 -8.347 -9.423 -8.265 203 H PHE 30 HN PHE 30 -5.178 -7.185 -6.508 204 HA PHE 30 HA PHE 30 -7.022 -4.929 -6.853 205 HB2 PHE 30 HB2 PHE 30 -6.414 -3.876 -4.716 206 HB3 PHE 30 HB1 PHE 30 -7.176 -5.436 -4.451 207 HD1 PHE 30 HD1 PHE 30 -5.657 -7.434 -3.931 208 HD2 PHE 30 HD2 PHE 30 -4.295 -3.405 -3.811 209 HE1 PHE 30 HE1 PHE 30 -3.771 -8.109 -2.505 210 HE2 PHE 30 HE2 PHE 30 -2.416 -4.077 -2.394 211 HZ PHE 30 HZ PHE 30 -2.082 -6.486 -1.858 212 H LEU 31 HN LEU 31 -4.015 -6.302 -7.326 213 HA LEU 31 HA LEU 31 -2.127 -4.359 -6.894 214 HB2 LEU 31 HB2 LEU 31 -1.715 -6.719 -7.435 215 HB3 LEU 31 HB1 LEU 31 -2.201 -6.411 -9.089 216 HG LEU 31 HG LEU 31 -0.329 -4.834 -9.286 217 HD11 LEU 31 HD11 LEU 31 1.488 -4.951 -7.614 218 HD12 LEU 31 HD12 LEU 31 0.467 -5.964 -6.594 219 HD13 LEU 31 HD13 LEU 31 0.000 -4.297 -6.932 220 HD21 LEU 31 HD21 LEU 31 0.372 -7.666 -8.538 221 HD22 LEU 31 HD22 LEU 31 1.404 -6.571 -9.461 222 HD23 LEU 31 HD23 LEU 31 -0.146 -7.095 -10.124 223 H ASP 32 HN ASP 32 -4.123 -4.816 -9.782 224 HA ASP 32 HA ASP 32 -2.887 -2.445 -11.034 225 HB2 ASP 32 HB2 ASP 32 -3.876 -3.069 -13.116 226 HB3 ASP 32 HB1 ASP 32 -3.241 -4.543 -12.410 227 H LEU 33 HN LEU 33 -5.390 -3.040 -9.033 228 HA LEU 33 HA LEU 33 -7.259 -1.187 -10.251 229 HB2 LEU 33 HB2 LEU 33 -7.975 -3.294 -9.035 230 HB3 LEU 33 HB1 LEU 33 -7.398 -2.553 -7.559 231 HG LEU 33 HG LEU 33 -9.078 -0.772 -7.792 232 HD11 LEU 33 HD11 LEU 33 -9.996 -2.344 -10.199 233 HD12 LEU 33 HD12 LEU 33 -9.250 -0.746 -10.227 234 HD13 LEU 33 HD13 LEU 33 -10.834 -0.967 -9.483 235 HD21 LEU 33 HD21 LEU 33 -10.200 -3.563 -7.979 236 HD22 LEU 33 HD22 LEU 33 -11.041 -2.152 -7.333 237 HD23 LEU 33 HD23 LEU 33 -9.610 -2.776 -6.516 238 H ARG 34 HN ARG 34 -7.690 0.873 -9.322 239 HA ARG 34 HA ARG 34 -5.298 1.938 -8.123 240 HB2 ARG 34 HB2 ARG 34 -7.819 3.416 -8.908 241 HB3 ARG 34 HB1 ARG 34 -6.338 4.159 -8.356 242 HG2 ARG 34 HG2 ARG 34 -6.357 4.438 -10.695 243 HG3 ARG 34 HG1 ARG 34 -5.216 3.133 -10.387 244 HD2 ARG 34 HD2 ARG 34 -6.716 2.669 -12.317 245 HD3 ARG 34 HD1 ARG 34 -6.843 1.488 -11.015 246 HE ARG 34 HE ARG 34 -8.903 2.490 -10.300 247 HH11 ARG 34 HH11 ARG 34 -7.844 3.634 -13.482 248 HH12 ARG 34 HH12 ARG 34 -9.402 4.172 -13.920 249 HH21 ARG 34 HH21 ARG 34 -10.942 3.105 -10.900 250 HH22 ARG 34 HH22 ARG 34 -11.270 3.833 -12.413 251 H PHE 35 HN PHE 35 -5.211 3.182 -6.258 252 HA PHE 35 HA PHE 35 -6.369 2.095 -4.001 253 HB2 PHE 35 HB2 PHE 35 -5.087 4.789 -4.400 254 HB3 PHE 35 HB1 PHE 35 -5.658 4.239 -2.829 255 HD1 PHE 35 HD1 PHE 35 -4.804 1.780 -2.211 256 HD2 PHE 35 HD2 PHE 35 -2.866 4.463 -4.876 257 HE1 PHE 35 HE1 PHE 35 -2.670 0.627 -1.811 258 HE2 PHE 35 HE2 PHE 35 -0.730 3.312 -4.488 259 HZ PHE 35 HZ PHE 35 -0.629 1.390 -2.953 260 H GLU 36 HN GLU 36 -7.454 4.899 -5.821 261 HA GLU 36 HA GLU 36 -9.548 5.762 -4.225 262 HB2 GLU 36 HB2 GLU 36 -10.585 6.644 -6.305 263 HB3 GLU 36 HB1 GLU 36 -8.882 7.043 -6.146 264 HG2 GLU 36 HG2 GLU 36 -8.293 5.324 -7.741 265 HG3 GLU 36 HG1 GLU 36 -9.970 4.803 -7.839 266 H ASP 37 HN ASP 37 -9.429 2.891 -6.198 267 HA ASP 37 HA ASP 37 -12.311 2.538 -6.164 268 HB2 ASP 37 HB2 ASP 37 -10.151 0.662 -7.148 269 HB3 ASP 37 HB1 ASP 37 -11.873 0.472 -7.417 270 H ILE 38 HN ILE 38 -9.508 1.528 -4.436 271 HA ILE 38 HA ILE 38 -11.070 -0.502 -3.050 272 HB ILE 38 HB ILE 38 -8.906 -1.263 -2.026 273 HG12 ILE 38 HG12 ILE 38 -7.700 0.628 -4.069 274 HG13 ILE 38 HG11 ILE 38 -7.609 0.812 -2.323 275 HG21 ILE 38 HG21 ILE 38 -9.898 -2.424 -3.884 276 HG22 ILE 38 HG22 ILE 38 -8.138 -2.416 -4.056 277 HG23 ILE 38 HG23 ILE 38 -9.128 -1.316 -5.020 278 HD11 ILE 38 HD11 ILE 38 -6.371 -1.409 -3.943 279 HD12 ILE 38 HD12 ILE 38 -6.276 -1.243 -2.190 280 HD13 ILE 38 HD13 ILE 38 -5.523 -0.036 -3.233 281 H GLY 39 HN GLY 39 -11.273 2.366 -2.656 282 HA2 GLY 39 HA2 GLY 39 -12.031 3.630 -0.879 283 HA3 GLY 39 HA1 GLY 39 -11.782 2.233 0.146 284 H TYR 40 HN TYR 40 -9.102 3.495 -1.666 285 HA TYR 40 HA TYR 40 -8.019 4.399 0.870 286 HB2 TYR 40 HB2 TYR 40 -6.714 3.321 -1.564 287 HB3 TYR 40 HB1 TYR 40 -5.815 4.430 -0.531 288 HD1 TYR 40 HD1 TYR 40 -7.400 1.135 -0.736 289 HD2 TYR 40 HD2 TYR 40 -5.168 3.831 1.658 290 HE1 TYR 40 HE1 TYR 40 -6.897 -0.672 0.832 291 HE2 TYR 40 HE2 TYR 40 -4.657 2.037 3.227 292 HH TYR 40 HH TYR 40 -5.279 -1.217 2.508 293 H ASP 41 HN ASP 41 -8.535 6.312 1.213 294 HA ASP 41 HA ASP 41 -8.207 8.386 -0.796 295 HB2 ASP 41 HB2 ASP 41 -9.107 8.484 2.093 296 HB3 ASP 41 HB1 ASP 41 -8.897 9.916 1.098 297 H SER 42 HN SER 42 -7.079 10.386 0.087 298 HA SER 42 HA SER 42 -4.391 10.101 0.272 299 HB2 SER 42 HB2 SER 42 -4.511 12.400 1.177 300 HB3 SER 42 HB1 SER 42 -5.509 12.145 -0.264 301 H LEU 43 HN LEU 43 -6.681 10.527 2.907 302 HA LEU 43 HA LEU 43 -4.908 10.592 5.078 303 HB2 LEU 43 HB2 LEU 43 -7.253 11.305 5.137 304 HB3 LEU 43 HB1 LEU 43 -7.744 9.623 5.057 305 HG LEU 43 HG LEU 43 -6.730 9.183 7.226 306 HD11 LEU 43 HD11 LEU 43 -4.862 10.773 7.083 307 HD12 LEU 43 HD12 LEU 43 -5.792 11.015 8.562 308 HD13 LEU 43 HD13 LEU 43 -5.996 12.119 7.202 309 HD21 LEU 43 HD21 LEU 43 -9.006 9.963 7.116 310 HD22 LEU 43 HD22 LEU 43 -8.417 11.631 7.142 311 HD23 LEU 43 HD23 LEU 43 -8.201 10.596 8.567 312 H ALA 44 HN ALA 44 -6.727 7.875 3.712 313 HA ALA 44 HA ALA 44 -5.750 5.946 5.516 314 HB1 ALA 44 HB1 ALA 44 -6.617 4.288 3.945 315 HB2 ALA 44 HB2 ALA 44 -6.779 5.534 2.708 316 HB3 ALA 44 HB3 ALA 44 -7.770 5.603 4.163 317 H LEU 45 HN LEU 45 -4.564 7.133 2.443 318 HA LEU 45 HA LEU 45 -2.601 5.172 2.055 319 HB2 LEU 45 HB2 LEU 45 -2.778 7.983 1.026 320 HB3 LEU 45 HB1 LEU 45 -1.499 6.874 0.569 321 HG LEU 45 HG LEU 45 -4.442 6.465 0.044 322 HD11 LEU 45 HD11 LEU 45 -3.446 8.225 -1.318 323 HD12 LEU 45 HD12 LEU 45 -3.822 6.788 -2.283 324 HD13 LEU 45 HD13 LEU 45 -2.155 7.118 -1.804 325 HD21 LEU 45 HD21 LEU 45 -3.699 4.550 -1.282 326 HD22 LEU 45 HD22 LEU 45 -3.268 4.365 0.417 327 HD23 LEU 45 HD23 LEU 45 -2.038 4.831 -0.760 328 H MET 46 HN MET 46 -2.445 8.263 3.782 329 HA MET 46 HA MET 46 0.355 7.991 4.235 330 HB2 MET 46 HB2 MET 46 0.224 9.771 5.894 331 HB3 MET 46 HB1 MET 46 -0.739 10.217 4.501 332 HG2 MET 46 HG2 MET 46 -2.759 9.817 5.654 333 HG3 MET 46 HG1 MET 46 -1.928 9.000 6.969 334 HE1 MET 46 HE1 MET 46 -0.052 11.984 8.704 335 HE2 MET 46 HE2 MET 46 0.573 10.938 7.431 336 HE3 MET 46 HE3 MET 46 -0.384 10.253 8.744 337 H GLU 47 HN GLU 47 -2.469 6.778 5.868 338 HA GLU 47 HA GLU 47 -1.233 5.923 8.250 339 HB2 GLU 47 HB2 GLU 47 -3.568 4.656 6.789 340 HB3 GLU 47 HB1 GLU 47 -3.139 4.380 8.470 341 HG2 GLU 47 HG2 GLU 47 -3.582 6.785 8.909 342 HG3 GLU 47 HG1 GLU 47 -4.139 6.940 7.244 343 H THR 48 HN THR 48 -1.967 4.187 5.245 344 HA THR 48 HA THR 48 -0.672 1.806 5.802 345 HB THR 48 HB THR 48 -1.104 3.204 3.152 346 HG1 THR 48 HG1 THR 48 -2.651 1.454 4.748 347 HG21 THR 48 HG21 THR 48 0.466 1.300 2.979 348 HG22 THR 48 HG22 THR 48 -1.073 0.948 2.194 349 HG23 THR 48 HG23 THR 48 -0.716 0.263 3.781 350 H ALA 49 HN ALA 49 0.568 4.645 3.969 351 HA ALA 49 HA ALA 49 3.059 3.637 3.313 352 HB1 ALA 49 HB1 ALA 49 3.749 5.938 2.929 353 HB2 ALA 49 HB2 ALA 49 2.374 6.523 3.868 354 HB3 ALA 49 HB3 ALA 49 2.105 5.678 2.344 355 H ALA 50 HN ALA 50 2.252 5.696 6.123 356 HA ALA 50 HA ALA 50 4.846 5.798 7.192 357 HB1 ALA 50 HB1 ALA 50 3.082 7.378 7.790 358 HB2 ALA 50 HB2 ALA 50 3.760 6.610 9.229 359 HB3 ALA 50 HB3 ALA 50 2.196 6.088 8.601 360 H ARG 51 HN ARG 51 2.271 3.484 7.558 361 HA ARG 51 HA ARG 51 3.369 2.108 9.789 362 HB2 ARG 51 HB2 ARG 51 0.979 2.027 9.143 363 HB3 ARG 51 HB1 ARG 51 1.422 1.134 7.697 364 HG2 ARG 51 HG2 ARG 51 2.319 -0.662 9.120 365 HG3 ARG 51 HG1 ARG 51 1.762 0.227 10.541 366 HD2 ARG 51 HD2 ARG 51 0.055 -0.834 8.297 367 HD3 ARG 51 HD1 ARG 51 0.164 -1.490 9.927 368 HE ARG 51 HE ARG 51 -0.642 1.277 9.838 369 HH11 ARG 51 HH11 ARG 51 -1.750 -2.065 9.902 370 HH12 ARG 51 HH12 ARG 51 -3.379 -1.650 10.246 371 HH21 ARG 51 HH21 ARG 51 -2.840 1.830 10.329 372 HH22 ARG 51 HH22 ARG 51 -3.984 0.585 10.548 373 H LEU 52 HN LEU 52 3.399 1.653 6.293 374 HA LEU 52 HA LEU 52 4.773 -0.783 6.196 375 HB2 LEU 52 HB2 LEU 52 4.722 1.454 4.184 376 HB3 LEU 52 HB1 LEU 52 5.343 -0.152 3.869 377 HG LEU 52 HG LEU 52 2.480 0.510 4.549 378 HD11 LEU 52 HD11 LEU 52 2.031 -0.054 2.223 379 HD12 LEU 52 HD12 LEU 52 3.760 -0.264 1.941 380 HD13 LEU 52 HD13 LEU 52 3.119 1.326 2.356 381 HD21 LEU 52 HD21 LEU 52 3.757 -2.082 3.702 382 HD22 LEU 52 HD22 LEU 52 2.030 -1.803 3.925 383 HD23 LEU 52 HD23 LEU 52 3.126 -1.711 5.305 384 H GLU 53 HN GLU 53 5.947 2.549 6.165 385 HA GLU 53 HA GLU 53 8.653 2.036 5.728 386 HB2 GLU 53 HB2 GLU 53 7.433 4.211 7.430 387 HB3 GLU 53 HB1 GLU 53 9.110 4.166 6.923 388 HG2 GLU 53 HG2 GLU 53 8.347 4.249 4.583 389 HG3 GLU 53 HG1 GLU 53 6.693 4.439 5.162 390 H SER 54 HN SER 54 6.980 2.459 8.787 391 HA SER 54 HA SER 54 9.147 1.934 10.457 392 HB2 SER 54 HB2 SER 54 6.219 1.506 11.034 393 HB3 SER 54 HB1 SER 54 7.504 1.843 12.201 394 HG SER 54 HG SER 54 6.162 3.549 10.477 395 H ARG 55 HN ARG 55 6.493 -0.230 9.409 396 HA ARG 55 HA ARG 55 7.413 -2.416 10.920 397 HB2 ARG 55 HB2 ARG 55 5.081 -2.242 10.258 398 HB3 ARG 55 HB1 ARG 55 5.530 -2.430 8.563 399 HG2 ARG 55 HG2 ARG 55 6.453 -4.638 9.069 400 HG3 ARG 55 HG1 ARG 55 5.947 -4.453 10.741 401 HD2 ARG 55 HD2 ARG 55 3.606 -4.310 9.984 402 HD3 ARG 55 HD1 ARG 55 4.162 -4.538 8.322 403 HE ARG 55 HE ARG 55 5.272 -6.614 9.613 404 HH11 ARG 55 HH11 ARG 55 1.961 -5.487 9.338 405 HH12 ARG 55 HH12 ARG 55 1.241 -6.993 9.565 406 HH21 ARG 55 HH21 ARG 55 4.395 -8.685 9.906 407 HH22 ARG 55 HH22 ARG 55 2.713 -8.936 9.945 408 H TYR 56 HN TYR 56 7.769 -1.732 7.419 409 HA TYR 56 HA TYR 56 9.206 -4.241 7.238 410 HB2 TYR 56 HB2 TYR 56 8.232 -2.379 5.082 411 HB3 TYR 56 HB1 TYR 56 9.170 -3.841 4.768 412 HD1 TYR 56 HD2 TYR 56 8.191 -6.058 5.735 413 HD2 TYR 56 HD1 TYR 56 5.936 -2.497 5.218 414 HE1 TYR 56 HE2 TYR 56 6.125 -7.377 5.754 415 HE2 TYR 56 HE1 TYR 56 3.862 -3.795 5.233 416 HH TYR 56 HH TYR 56 3.647 -6.976 6.253 417 H GLY 57 HN GLY 57 9.955 -0.935 7.474 418 HA2 GLY 57 HA2 GLY 57 12.099 -0.121 7.825 419 HA3 GLY 57 HA1 GLY 57 12.750 -1.659 7.266 420 H VAL 58 HN VAL 58 10.690 0.851 5.973 421 HA VAL 58 HA VAL 58 12.479 1.049 3.688 422 HB VAL 58 HB VAL 58 10.591 1.329 2.113 423 HG11 VAL 58 HG11 VAL 58 11.593 -0.859 2.278 424 HG12 VAL 58 HG12 VAL 58 9.858 -0.989 1.972 425 HG13 VAL 58 HG13 VAL 58 10.493 -1.279 3.592 426 HG21 VAL 58 HG21 VAL 58 8.315 0.679 2.748 427 HG22 VAL 58 HG22 VAL 58 8.871 2.085 3.659 428 HG23 VAL 58 HG23 VAL 58 8.840 0.495 4.421 429 H SER 59 HN SER 59 11.807 3.051 2.360 430 HA SER 59 HA SER 59 10.962 5.175 4.162 431 HB2 SER 59 HB2 SER 59 13.173 5.330 2.084 432 HB3 SER 59 HB1 SER 59 12.683 6.607 3.196 433 HG SER 59 HG SER 59 13.996 4.171 3.747 434 H ILE 60 HN ILE 60 9.079 5.792 3.326 435 HA ILE 60 HA ILE 60 8.668 5.586 0.432 436 HB ILE 60 HB ILE 60 6.591 5.920 2.624 437 HG12 ILE 60 HG12 ILE 60 7.295 3.497 0.947 438 HG13 ILE 60 HG11 ILE 60 7.655 3.700 2.657 439 HG21 ILE 60 HG21 ILE 60 6.246 5.438 -0.344 440 HG22 ILE 60 HG22 ILE 60 5.886 6.937 0.512 441 HG23 ILE 60 HG23 ILE 60 4.942 5.484 0.844 442 HD11 ILE 60 HD11 ILE 60 5.270 3.736 3.152 443 HD12 ILE 60 HD12 ILE 60 5.735 2.256 2.313 444 HD13 ILE 60 HD13 ILE 60 4.911 3.545 1.437 445 HA PRO 61 HA PRO 61 9.330 10.038 0.781 446 HB2 PRO 61 HB2 PRO 61 9.065 9.762 -2.163 447 HB3 PRO 61 HB1 PRO 61 10.349 10.531 -1.224 448 HG2 PRO 61 HG2 PRO 61 10.775 8.206 -2.428 449 HG3 PRO 61 HG1 PRO 61 11.428 8.519 -0.808 450 HD2 PRO 61 HD2 PRO 61 9.005 6.954 -1.602 451 HD3 PRO 61 HD1 PRO 61 10.257 6.560 -0.402 452 H ASP 62 HN ASP 62 7.757 11.444 1.026 453 HA ASP 62 HA ASP 62 5.071 10.735 0.706 454 HB2 ASP 62 HB2 ASP 62 4.479 13.007 1.439 455 HB3 ASP 62 HB1 ASP 62 5.726 12.295 2.449 456 H ASP 63 HN ASP 63 7.159 12.398 -1.500 457 HA ASP 63 HA ASP 63 5.064 13.422 -3.153 458 HB2 ASP 63 HB2 ASP 63 7.314 14.349 -3.315 459 HB3 ASP 63 HB1 ASP 63 7.954 12.781 -3.798 460 H VAL 64 HN VAL 64 6.774 10.426 -2.903 461 HA VAL 64 HA VAL 64 5.754 9.310 -5.345 462 HB VAL 64 HB VAL 64 7.121 7.951 -2.994 463 HG11 VAL 64 HG11 VAL 64 6.580 6.904 -5.779 464 HG12 VAL 64 HG12 VAL 64 5.790 6.359 -4.302 465 HG13 VAL 64 HG13 VAL 64 7.517 6.081 -4.531 466 HG21 VAL 64 HG21 VAL 64 8.532 9.589 -4.083 467 HG22 VAL 64 HG22 VAL 64 8.195 8.857 -5.654 468 HG23 VAL 64 HG23 VAL 64 9.094 7.955 -4.432 469 H ALA 65 HN ALA 65 4.954 9.236 -1.944 470 HA ALA 65 HA ALA 65 2.963 7.265 -1.994 471 HB1 ALA 65 HB1 ALA 65 3.080 9.732 -0.250 472 HB2 ALA 65 HB2 ALA 65 3.882 8.197 0.087 473 HB3 ALA 65 HB3 ALA 65 2.120 8.285 0.065 474 H GLY 66 HN GLY 66 2.898 10.619 -2.944 475 HA2 GLY 66 HA2 GLY 66 0.032 10.588 -3.363 476 HA3 GLY 66 HA1 GLY 66 1.125 11.926 -3.679 477 H ARG 67 HN ARG 67 2.686 9.512 -5.147 478 HA ARG 67 HA ARG 67 1.441 10.236 -7.710 479 HB2 ARG 67 HB2 ARG 67 3.481 9.900 -8.792 480 HB3 ARG 67 HB1 ARG 67 3.998 10.514 -7.233 481 HG2 ARG 67 HG2 ARG 67 4.518 8.237 -6.501 482 HG3 ARG 67 HG1 ARG 67 3.950 7.604 -8.040 483 HD2 ARG 67 HD2 ARG 67 5.698 9.081 -9.134 484 HD3 ARG 67 HD1 ARG 67 6.354 9.337 -7.518 485 HE ARG 67 HE ARG 67 5.985 6.576 -8.305 486 HH11 ARG 67 HH11 ARG 67 8.305 9.279 -8.092 487 HH12 ARG 67 HH12 ARG 67 9.667 8.286 -8.318 488 HH21 ARG 67 HH21 ARG 67 7.911 5.225 -8.587 489 HH22 ARG 67 HH22 ARG 67 9.449 5.980 -8.632 490 H VAL 68 HN VAL 68 1.663 7.637 -5.559 491 HA VAL 68 HA VAL 68 1.506 5.624 -7.610 492 HB VAL 68 HB VAL 68 1.478 3.959 -5.755 493 HG11 VAL 68 HG11 VAL 68 3.591 4.682 -6.674 494 HG12 VAL 68 HG12 VAL 68 3.741 4.364 -4.943 495 HG13 VAL 68 HG13 VAL 68 3.643 6.027 -5.529 496 HG21 VAL 68 HG21 VAL 68 0.350 5.246 -3.994 497 HG22 VAL 68 HG22 VAL 68 1.733 6.350 -3.923 498 HG23 VAL 68 HG23 VAL 68 1.931 4.657 -3.463 499 H ASP 69 HN ASP 69 -0.273 5.346 -8.631 500 HA ASP 69 HA ASP 69 -2.868 5.877 -7.410 501 HB2 ASP 69 HB2 ASP 69 -2.155 4.919 -10.197 502 HB3 ASP 69 HB1 ASP 69 -3.780 5.287 -9.653 503 H THR 70 HN THR 70 -0.997 3.188 -8.662 504 HA THR 70 HA THR 70 -3.057 1.370 -7.685 505 HB THR 70 HB THR 70 -1.867 -0.299 -9.175 506 HG1 THR 70 HG1 THR 70 -0.817 1.800 -10.681 507 HG21 THR 70 HG21 THR 70 -3.965 0.780 -9.858 508 HG22 THR 70 HG22 THR 70 -2.895 0.539 -11.240 509 HG23 THR 70 HG23 THR 70 -3.050 2.138 -10.517 510 HA PRO 71 HA PRO 71 -0.313 -0.151 -4.488 511 HB2 PRO 71 HB2 PRO 71 -1.238 -2.842 -5.391 512 HB3 PRO 71 HB1 PRO 71 -1.239 -2.149 -3.765 513 HG2 PRO 71 HG2 PRO 71 -3.502 -2.340 -5.102 514 HG3 PRO 71 HG1 PRO 71 -3.142 -0.869 -4.175 515 HD2 PRO 71 HD2 PRO 71 -2.955 -1.342 -7.122 516 HD3 PRO 71 HD1 PRO 71 -3.570 0.076 -6.248 517 H ARG 72 HN ARG 72 -0.341 -1.439 -7.707 518 HA ARG 72 HA ARG 72 1.935 -2.953 -7.982 519 HB2 ARG 72 HB2 ARG 72 0.367 -2.457 -9.799 520 HB3 ARG 72 HB1 ARG 72 0.895 -0.783 -9.821 521 HG2 ARG 72 HG2 ARG 72 3.191 -1.651 -10.415 522 HG3 ARG 72 HG1 ARG 72 2.430 -3.224 -10.655 523 HD2 ARG 72 HD2 ARG 72 1.703 -0.667 -12.080 524 HD3 ARG 72 HD1 ARG 72 2.654 -1.983 -12.755 525 HE ARG 72 HE ARG 72 0.395 -3.250 -12.121 526 HH11 ARG 72 HH11 ARG 72 0.722 -0.063 -13.642 527 HH12 ARG 72 HH12 ARG 72 -0.549 -0.297 -14.733 528 HH21 ARG 72 HH21 ARG 72 -1.370 -3.537 -13.545 529 HH22 ARG 72 HH22 ARG 72 -1.783 -2.321 -14.697 530 H GLU 73 HN GLU 73 1.645 0.550 -8.198 531 HA GLU 73 HA GLU 73 4.353 1.196 -8.635 532 HB2 GLU 73 HB2 GLU 73 2.144 2.860 -7.445 533 HB3 GLU 73 HB1 GLU 73 3.641 3.456 -8.145 534 HG2 GLU 73 HG2 GLU 73 1.514 1.952 -9.627 535 HG3 GLU 73 HG1 GLU 73 1.726 3.702 -9.633 536 H LEU 74 HN LEU 74 2.331 1.067 -5.794 537 HA LEU 74 HA LEU 74 4.210 2.153 -3.991 538 HB2 LEU 74 HB2 LEU 74 1.727 2.127 -3.666 539 HB3 LEU 74 HB1 LEU 74 1.799 0.403 -3.417 540 HG LEU 74 HG LEU 74 1.503 1.816 -1.335 541 HD11 LEU 74 HD11 LEU 74 3.921 0.049 -1.396 542 HD12 LEU 74 HD12 LEU 74 2.250 -0.468 -1.163 543 HD13 LEU 74 HD13 LEU 74 3.035 0.554 0.043 544 HD21 LEU 74 HD21 LEU 74 2.997 3.644 -1.941 545 HD22 LEU 74 HD22 LEU 74 4.374 2.550 -1.890 546 HD23 LEU 74 HD23 LEU 74 3.487 2.913 -0.410 547 H LEU 75 HN LEU 75 3.322 -1.174 -4.828 548 HA LEU 75 HA LEU 75 4.946 -2.596 -3.077 549 HB2 LEU 75 HB2 LEU 75 3.216 -3.583 -4.555 550 HB3 LEU 75 HB1 LEU 75 4.235 -3.262 -5.940 551 HG LEU 75 HG LEU 75 5.918 -4.841 -5.020 552 HD11 LEU 75 HD11 LEU 75 3.779 -5.429 -2.985 553 HD12 LEU 75 HD12 LEU 75 5.341 -4.671 -2.670 554 HD13 LEU 75 HD13 LEU 75 5.266 -6.347 -3.216 555 HD21 LEU 75 HD21 LEU 75 4.295 -5.581 -6.683 556 HD22 LEU 75 HD22 LEU 75 3.149 -5.977 -5.400 557 HD23 LEU 75 HD23 LEU 75 4.662 -6.875 -5.540 558 H ASP 76 HN ASP 76 5.627 -1.322 -6.293 559 HA ASP 76 HA ASP 76 8.258 -2.200 -6.594 560 HB2 ASP 76 HB2 ASP 76 7.081 -1.285 -8.478 561 HB3 ASP 76 HB1 ASP 76 6.880 0.262 -7.668 562 H LEU 77 HN LEU 77 7.008 0.757 -5.102 563 HA LEU 77 HA LEU 77 9.493 1.958 -4.554 564 HB2 LEU 77 HB2 LEU 77 7.276 3.110 -4.552 565 HB3 LEU 77 HB1 LEU 77 6.838 2.254 -3.100 566 HG LEU 77 HG LEU 77 7.413 4.649 -2.754 567 HD11 LEU 77 HD11 LEU 77 7.610 3.167 -0.867 568 HD12 LEU 77 HD12 LEU 77 8.876 4.393 -0.828 569 HD13 LEU 77 HD13 LEU 77 9.255 2.749 -1.340 570 HD21 LEU 77 HD21 LEU 77 10.192 3.801 -3.528 571 HD22 LEU 77 HD22 LEU 77 9.744 5.366 -2.846 572 HD23 LEU 77 HD23 LEU 77 9.135 4.886 -4.432 573 H ILE 78 HN ILE 78 7.466 -0.243 -2.679 574 HA ILE 78 HA ILE 78 8.996 -0.218 -0.286 575 HB ILE 78 HB ILE 78 7.203 -2.436 -1.342 576 HG12 ILE 78 HG12 ILE 78 5.987 -0.324 -1.163 577 HG13 ILE 78 HG11 ILE 78 5.454 -1.454 0.075 578 HG21 ILE 78 HG21 ILE 78 8.647 -3.232 0.447 579 HG22 ILE 78 HG22 ILE 78 6.988 -3.096 1.036 580 HG23 ILE 78 HG23 ILE 78 8.177 -1.868 1.458 581 HD11 ILE 78 HD11 ILE 78 5.641 0.795 0.954 582 HD12 ILE 78 HD12 ILE 78 7.337 0.857 0.471 583 HD13 ILE 78 HD13 ILE 78 6.819 -0.270 1.723 584 H ASN 79 HN ASN 79 8.828 -2.556 -2.944 585 HA ASN 79 HA ASN 79 10.805 -4.299 -2.008 586 HB2 ASN 79 HB2 ASN 79 9.738 -3.815 -4.788 587 HB3 ASN 79 HB1 ASN 79 10.953 -5.042 -4.453 588 HD21 ASN 79 HD21 ASN 79 9.478 -6.658 -5.136 589 HD22 ASN 79 HD22 ASN 79 8.178 -7.140 -4.095 590 H GLY 80 HN GLY 80 11.078 -1.434 -4.020 591 HA2 GLY 80 HA2 GLY 80 13.751 -1.693 -4.764 592 HA3 GLY 80 HA1 GLY 80 12.908 -0.164 -4.535 593 H ALA 81 HN ALA 81 12.355 -0.152 -1.905 594 HA ALA 81 HA ALA 81 14.892 0.533 -0.802 595 HB1 ALA 81 HB1 ALA 81 12.202 0.419 0.563 596 HB2 ALA 81 HB2 ALA 81 12.867 1.815 -0.289 597 HB3 ALA 81 HB3 ALA 81 13.647 1.224 1.174 598 H LEU 82 HN LEU 82 12.687 -2.167 -0.401 599 HA LEU 82 HA LEU 82 13.934 -3.345 1.842 600 HB2 LEU 82 HB2 LEU 82 12.260 -4.548 -0.340 601 HB3 LEU 82 HB1 LEU 82 12.904 -5.502 0.976 602 HG LEU 82 HG LEU 82 10.981 -3.191 1.260 603 HD11 LEU 82 HD11 LEU 82 9.382 -4.931 1.891 604 HD12 LEU 82 HD12 LEU 82 10.593 -6.169 1.551 605 HD13 LEU 82 HD13 LEU 82 9.967 -5.165 0.244 606 HD21 LEU 82 HD21 LEU 82 12.080 -5.122 3.306 607 HD22 LEU 82 HD22 LEU 82 10.835 -3.903 3.595 608 HD23 LEU 82 HD23 LEU 82 12.477 -3.408 3.180 609 H ALA 83 HN ALA 83 14.500 -3.731 -1.602 610 HA ALA 83 HA ALA 83 16.309 -5.866 -1.456 611 HB1 ALA 83 HB1 ALA 83 15.225 -5.150 -3.526 612 HB2 ALA 83 HB2 ALA 83 16.978 -5.236 -3.705 613 HB3 ALA 83 HB3 ALA 83 16.186 -3.672 -3.517 614 H GLU 84 HN GLU 84 16.763 -2.421 -1.082 615 HA GLU 84 HA GLU 84 19.628 -2.581 -1.229 616 HB2 GLU 84 HB2 GLU 84 17.863 -0.303 -0.354 617 HB3 GLU 84 HB1 GLU 84 19.588 -0.198 -0.676 618 HG2 GLU 84 HG2 GLU 84 19.158 -0.857 -3.007 619 HG3 GLU 84 HG1 GLU 84 17.429 -0.858 -2.660 620 H ALA 85 HN ALA 85 17.336 -3.077 1.212 621 HA ALA 85 HA ALA 85 19.188 -2.363 3.327 622 HB1 ALA 85 HB1 ALA 85 17.379 -2.893 4.883 623 HB2 ALA 85 HB2 ALA 85 16.402 -3.508 3.552 624 HB3 ALA 85 HB3 ALA 85 16.810 -1.793 3.627 625 H ALA 86 HN ALA 86 20.726 -3.912 2.556 626 HA ALA 86 HA ALA 86 20.675 -6.304 4.087 627 HB1 ALA 86 HB1 ALA 86 20.728 -6.525 1.061 628 HB2 ALA 86 HB2 ALA 86 19.436 -7.105 2.111 629 HB3 ALA 86 HB3 ALA 86 21.034 -7.848 2.187 630 H28 SXH 87 H28B SXH 87 -4.482 12.548 3.231 631 H28A SXH 87 H28A SXH 87 -5.096 13.722 4.398 632 H30 SXH 87 H30C SXH 87 -2.821 13.260 5.421 633 H30A SXH 87 H30A SXH 87 -1.362 13.714 4.545 634 H30B SXH 87 H30B SXH 87 -2.314 12.333 4.006 635 H31 SXH 87 H31A SXH 87 -1.546 14.716 2.250 636 H31A SXH 87 H31C SXH 87 -2.423 13.251 1.812 637 H31B SXH 87 H31B SXH 87 -3.141 14.835 1.494 638 H32 SXH 87 H32A SXH 87 -3.756 15.678 5.122 639 HO33 SXH 87 H33A SXH 87 -3.345 17.229 3.059 640 HN36 SXH 87 H36A SXH 87 -1.663 15.543 6.100 641 H37 SXH 87 H37A SXH 87 0.759 16.593 4.908 642 H37A SXH 87 H37B SXH 87 -0.055 17.739 5.933 643 H38 SXH 87 H38A SXH 87 1.572 16.704 7.262 644 H38A SXH 87 H38B SXH 87 -0.021 16.179 7.846 645 HN41 SXH 87 H41A SXH 87 1.266 14.822 4.995 646 H42 SXH 87 H42A SXH 87 3.003 12.889 5.598 647 H42A SXH 87 H42B SXH 87 1.438 12.145 5.990 648 H43 SXH 87 H43A SXH 87 0.683 12.522 3.729 649 H43A SXH 87 H43B SXH 87 2.295 11.766 3.598 650 H2 SXH 87 H2A SXH 87 1.505 11.602 2.088 651 H2A SXH 87 H2B SXH 87 2.154 11.686 0.451 652 H3 SXH 87 H3A SXH 87 0.009 12.555 -0.344 653 H3A SXH 87 H3B SXH 87 -0.632 12.469 1.298 654 H4 SXH 87 H4B SXH 87 0.344 10.138 -0.349 655 H4A SXH 87 H4A SXH 87 -0.258 10.041 1.305 656 H5 SXH 87 H5A SXH 87 -2.442 10.921 0.529 657 H5A SXH 87 H5B SXH 87 -2.007 9.402 -0.271 658 H6 SXH 87 H6C SXH 87 -1.655 12.180 -1.403 659 H6A SXH 87 H6A SXH 87 -2.905 11.025 -1.866 660 H6B SXH 87 H6B SXH 87 -1.211 10.677 -2.212 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 11.332 -9.103 10.243 2 H2 MET 1 HT2 MET 1 10.203 -8.189 9.345 3 H3 MET 1 HT3 MET 1 11.814 -8.204 8.892 4 HA MET 1 HA MET 1 11.718 -10.506 8.320 5 HB2 MET 1 HB2 MET 1 8.809 -10.214 9.123 6 HB3 MET 1 HB1 MET 1 9.418 -11.544 8.153 7 HG2 MET 1 HG2 MET 1 10.275 -10.884 10.958 8 HG3 MET 1 HG1 MET 1 9.127 -12.144 10.502 9 HE1 MET 1 HE1 MET 1 11.712 -12.641 12.317 10 HE2 MET 1 HE2 MET 1 12.293 -14.163 11.641 11 HE3 MET 1 HE3 MET 1 10.564 -13.909 11.884 12 H ALA 2 HN ALA 2 10.056 -11.299 6.431 13 HA ALA 2 HA ALA 2 9.189 -11.050 4.455 14 HB1 ALA 2 HB1 ALA 2 8.707 -8.136 5.054 15 HB2 ALA 2 HB2 ALA 2 7.601 -9.450 5.453 16 HB3 ALA 2 HB3 ALA 2 7.968 -9.088 3.766 17 H THR 3 HN THR 3 11.293 -11.562 3.813 18 HA THR 3 HA THR 3 13.004 -9.564 2.703 19 HB THR 3 HB THR 3 12.751 -12.427 1.876 20 HG1 THR 3 HG1 THR 3 14.084 -12.951 3.593 21 HG21 THR 3 HG21 THR 3 15.192 -12.230 1.518 22 HG22 THR 3 HG22 THR 3 15.117 -10.547 2.040 23 HG23 THR 3 HG23 THR 3 14.290 -11.049 0.565 24 H LEU 4 HN LEU 4 12.129 -8.319 1.186 25 HA LEU 4 HA LEU 4 11.097 -7.523 -0.603 26 HB2 LEU 4 HB2 LEU 4 11.199 -10.360 -1.636 27 HB3 LEU 4 HB1 LEU 4 10.654 -8.990 -2.586 28 HG LEU 4 HG LEU 4 13.431 -9.409 -1.484 29 HD11 LEU 4 HD11 LEU 4 12.373 -9.449 -4.302 30 HD12 LEU 4 HD12 LEU 4 12.918 -10.845 -3.373 31 HD13 LEU 4 HD13 LEU 4 14.068 -9.587 -3.834 32 HD21 LEU 4 HD21 LEU 4 14.020 -7.385 -2.732 33 HD22 LEU 4 HD22 LEU 4 12.836 -7.044 -1.473 34 HD23 LEU 4 HD23 LEU 4 12.325 -7.151 -3.159 35 H LEU 5 HN LEU 5 9.197 -6.815 -0.843 36 HA LEU 5 HA LEU 5 7.074 -7.841 0.764 37 HB2 LEU 5 HB2 LEU 5 7.616 -5.414 0.303 38 HB3 LEU 5 HB1 LEU 5 7.041 -5.663 -1.329 39 HG LEU 5 HG LEU 5 4.818 -6.350 -0.247 40 HD11 LEU 5 HD11 LEU 5 5.619 -6.639 2.006 41 HD12 LEU 5 HD12 LEU 5 4.390 -5.371 1.932 42 HD13 LEU 5 HD13 LEU 5 6.092 -4.940 2.070 43 HD21 LEU 5 HD21 LEU 5 4.089 -4.050 -0.039 44 HD22 LEU 5 HD22 LEU 5 5.127 -4.269 -1.453 45 HD23 LEU 5 HD23 LEU 5 5.767 -3.508 0.009 46 H THR 6 HN THR 6 5.695 -9.387 0.045 47 HA THR 6 HA THR 6 5.426 -9.750 -2.839 48 HB THR 6 HB THR 6 4.131 -11.791 -2.252 49 HG1 THR 6 HG1 THR 6 4.830 -11.178 0.444 50 HG21 THR 6 HG21 THR 6 6.751 -11.606 -0.771 51 HG22 THR 6 HG22 THR 6 6.559 -11.986 -2.482 52 HG23 THR 6 HG23 THR 6 5.947 -13.097 -1.257 53 H THR 7 HN THR 7 3.079 -10.088 -3.589 54 HA THR 7 HA THR 7 1.460 -7.963 -2.913 55 HB THR 7 HB THR 7 0.498 -10.619 -4.021 56 HG1 THR 7 HG1 THR 7 1.097 -9.804 -6.022 57 HG21 THR 7 HG21 THR 7 -1.277 -8.978 -3.458 58 HG22 THR 7 HG22 THR 7 -1.152 -9.204 -5.202 59 HG23 THR 7 HG23 THR 7 -0.463 -7.768 -4.445 60 H ASP 8 HN ASP 8 1.850 -11.058 -1.404 61 HA ASP 8 HA ASP 8 -0.497 -11.027 0.223 62 HB2 ASP 8 HB2 ASP 8 2.104 -12.533 0.519 63 HB3 ASP 8 HB1 ASP 8 0.763 -12.707 1.641 64 H ASP 9 HN ASP 9 2.879 -10.165 0.817 65 HA ASP 9 HA ASP 9 2.518 -9.311 3.523 66 HB2 ASP 9 HB2 ASP 9 4.600 -8.264 1.567 67 HB3 ASP 9 HB1 ASP 9 4.620 -8.052 3.299 68 H LEU 10 HN LEU 10 2.280 -7.783 0.437 69 HA LEU 10 HA LEU 10 1.850 -5.119 1.207 70 HB2 LEU 10 HB2 LEU 10 2.368 -5.896 -1.081 71 HB3 LEU 10 HB1 LEU 10 0.819 -6.696 -1.159 72 HG LEU 10 HG LEU 10 -0.263 -4.443 -1.002 73 HD11 LEU 10 HD11 LEU 10 2.559 -3.485 -1.398 74 HD12 LEU 10 HD12 LEU 10 1.567 -3.240 0.039 75 HD13 LEU 10 HD13 LEU 10 1.108 -2.487 -1.489 76 HD21 LEU 10 HD21 LEU 10 0.014 -5.595 -3.127 77 HD22 LEU 10 HD22 LEU 10 1.627 -4.903 -3.303 78 HD23 LEU 10 HD23 LEU 10 0.209 -3.854 -3.326 79 H ARG 11 HN ARG 11 -0.413 -7.682 0.263 80 HA ARG 11 HA ARG 11 -2.800 -6.432 0.647 81 HB2 ARG 11 HB2 ARG 11 -2.625 -8.553 -0.499 82 HB3 ARG 11 HB1 ARG 11 -2.166 -9.360 0.990 83 HG2 ARG 11 HG2 ARG 11 -4.327 -9.161 1.887 84 HG3 ARG 11 HG1 ARG 11 -4.804 -7.967 0.681 85 HD2 ARG 11 HD2 ARG 11 -5.797 -10.137 0.199 86 HD3 ARG 11 HD1 ARG 11 -4.675 -9.657 -1.066 87 HE ARG 11 HE ARG 11 -3.426 -11.349 0.875 88 HH11 ARG 11 HH11 ARG 11 -5.425 -11.358 -2.046 89 HH12 ARG 11 HH12 ARG 11 -5.168 -13.012 -2.386 90 HH21 ARG 11 HH21 ARG 11 -3.034 -13.527 0.398 91 HH22 ARG 11 HH22 ARG 11 -3.746 -14.319 -0.933 92 H ARG 12 HN ARG 12 -1.154 -8.401 3.094 93 HA ARG 12 HA ARG 12 -3.166 -8.064 5.023 94 HB2 ARG 12 HB2 ARG 12 -0.228 -8.553 5.489 95 HB3 ARG 12 HB1 ARG 12 -1.479 -8.702 6.713 96 HG2 ARG 12 HG2 ARG 12 -2.542 -10.454 5.326 97 HG3 ARG 12 HG1 ARG 12 -1.165 -10.348 4.227 98 HD2 ARG 12 HD2 ARG 12 -1.060 -11.060 7.149 99 HD3 ARG 12 HD1 ARG 12 -0.905 -12.184 5.804 100 HE ARG 12 HE ARG 12 1.041 -10.013 6.308 101 HH11 ARG 12 HH11 ARG 12 0.288 -13.338 5.380 102 HH12 ARG 12 HH12 ARG 12 1.894 -13.867 5.372 103 HH21 ARG 12 HH21 ARG 12 3.300 -10.723 6.287 104 HH22 ARG 12 HH22 ARG 12 3.637 -12.351 5.923 105 H ALA 13 HN ALA 13 -0.265 -6.128 4.467 106 HA ALA 13 HA ALA 13 -0.649 -4.429 6.695 107 HB1 ALA 13 HB1 ALA 13 1.516 -4.639 5.561 108 HB2 ALA 13 HB2 ALA 13 0.977 -2.957 5.632 109 HB3 ALA 13 HB3 ALA 13 0.831 -3.863 4.130 110 H LEU 14 HN LEU 14 -1.561 -4.213 3.322 111 HA LEU 14 HA LEU 14 -2.706 -1.678 3.330 112 HB2 LEU 14 HB2 LEU 14 -2.837 -4.111 1.613 113 HB3 LEU 14 HB1 LEU 14 -3.952 -2.801 1.321 114 HG LEU 14 HG LEU 14 -1.740 -3.015 -0.028 115 HD11 LEU 14 HD11 LEU 14 -1.665 -0.529 -0.249 116 HD12 LEU 14 HD12 LEU 14 -2.752 -0.436 1.148 117 HD13 LEU 14 HD13 LEU 14 -3.285 -1.218 -0.332 118 HD21 LEU 14 HD21 LEU 14 -0.182 -3.071 1.848 119 HD22 LEU 14 HD22 LEU 14 -0.749 -1.488 2.384 120 HD23 LEU 14 HD23 LEU 14 0.106 -1.645 0.849 121 H VAL 15 HN VAL 15 -4.251 -4.898 3.580 122 HA VAL 15 HA VAL 15 -6.861 -3.825 3.600 123 HB VAL 15 HB VAL 15 -6.184 -6.182 2.863 124 HG11 VAL 15 HG11 VAL 15 -6.277 -7.979 4.494 125 HG12 VAL 15 HG12 VAL 15 -6.313 -6.781 5.788 126 HG13 VAL 15 HG13 VAL 15 -4.908 -6.891 4.729 127 HG21 VAL 15 HG21 VAL 15 -8.325 -7.198 3.476 128 HG22 VAL 15 HG22 VAL 15 -8.525 -5.518 2.965 129 HG23 VAL 15 HG23 VAL 15 -8.578 -5.933 4.680 130 H GLU 16 HN GLU 16 -4.669 -4.318 6.228 131 HA GLU 16 HA GLU 16 -6.844 -4.120 8.139 132 HB2 GLU 16 HB2 GLU 16 -3.870 -4.039 8.623 133 HB3 GLU 16 HB1 GLU 16 -5.097 -4.045 9.875 134 HG2 GLU 16 HG2 GLU 16 -5.832 -6.257 9.117 135 HG3 GLU 16 HG1 GLU 16 -4.551 -6.242 7.901 136 H SER 17 HN SER 17 -4.819 -2.015 6.405 137 HA SER 17 HA SER 17 -5.009 0.131 8.310 138 HB2 SER 17 HB2 SER 17 -2.987 -0.198 6.840 139 HB3 SER 17 HB1 SER 17 -4.014 0.212 5.463 140 HG SER 17 HG SER 17 -4.105 2.004 7.529 141 H ALA 18 HN ALA 18 -6.747 -1.029 5.510 142 HA ALA 18 HA ALA 18 -8.770 0.969 5.856 143 HB1 ALA 18 HB1 ALA 18 -7.138 2.191 4.502 144 HB2 ALA 18 HB2 ALA 18 -8.608 1.821 3.578 145 HB3 ALA 18 HB3 ALA 18 -7.149 0.845 3.354 146 H GLY 19 HN GLY 19 -10.287 0.694 3.837 147 HA2 GLY 19 HA2 GLY 19 -10.450 -1.525 2.297 148 HA3 GLY 19 HA1 GLY 19 -11.174 -1.978 3.848 149 H GLU 20 HN GLU 20 -13.251 -2.079 2.926 150 HA GLU 20 HA GLU 20 -14.395 0.596 2.626 151 HB2 GLU 20 HB2 GLU 20 -14.000 -0.988 0.450 152 HB3 GLU 20 HB1 GLU 20 -15.545 -1.618 0.989 153 HG2 GLU 20 HG2 GLU 20 -14.929 1.232 0.216 154 HG3 GLU 20 HG1 GLU 20 -15.879 0.068 -0.703 155 H THR 21 HN THR 21 -16.620 0.640 3.386 156 HA THR 21 HA THR 21 -17.005 -1.336 5.430 157 HB THR 21 HB THR 21 -17.379 1.024 6.031 158 HG1 THR 21 HG1 THR 21 -19.618 -0.697 6.184 159 HG21 THR 21 HG21 THR 21 -19.712 0.918 4.115 160 HG22 THR 21 HG22 THR 21 -18.236 1.859 3.905 161 HG23 THR 21 HG23 THR 21 -19.349 2.248 5.216 162 H ASP 22 HN ASP 22 -17.586 -1.454 2.339 163 HA ASP 22 HA ASP 22 -20.127 -2.657 2.066 164 HB2 ASP 22 HB2 ASP 22 -18.809 -1.988 0.121 165 HB3 ASP 22 HB1 ASP 22 -17.549 -3.141 0.547 166 H GLY 23 HN GLY 23 -17.041 -3.729 3.139 167 HA2 GLY 23 HA2 GLY 23 -17.037 -5.582 4.724 168 HA3 GLY 23 HA1 GLY 23 -18.155 -6.395 3.626 169 H THR 24 HN THR 24 -17.411 -7.357 1.808 170 HA THR 24 HA THR 24 -14.532 -7.723 1.890 171 HB THR 24 HB THR 24 -15.934 -9.724 2.296 172 HG1 THR 24 HG1 THR 24 -13.828 -9.622 0.921 173 HG21 THR 24 HG21 THR 24 -17.853 -9.214 0.865 174 HG22 THR 24 HG22 THR 24 -17.169 -10.786 0.439 175 HG23 THR 24 HG23 THR 24 -16.839 -9.377 -0.570 176 H ASP 25 HN ASP 25 -15.352 -5.409 0.670 177 HA ASP 25 HA ASP 25 -15.462 -5.781 -2.187 178 HB2 ASP 25 HB2 ASP 25 -16.351 -3.700 -1.101 179 HB3 ASP 25 HB1 ASP 25 -14.697 -3.251 -0.691 180 H LEU 26 HN LEU 26 -13.017 -4.342 -0.088 181 HA LEU 26 HA LEU 26 -10.915 -4.898 -1.951 182 HB2 LEU 26 HB2 LEU 26 -10.768 -2.898 -0.579 183 HB3 LEU 26 HB1 LEU 26 -10.916 -3.846 0.886 184 HG LEU 26 HG LEU 26 -8.709 -4.875 0.389 185 HD11 LEU 26 HD11 LEU 26 -8.688 -4.556 -2.026 186 HD12 LEU 26 HD12 LEU 26 -7.253 -3.878 -1.261 187 HD13 LEU 26 HD13 LEU 26 -8.550 -2.812 -1.793 188 HD21 LEU 26 HD21 LEU 26 -7.388 -2.911 1.002 189 HD22 LEU 26 HD22 LEU 26 -8.890 -3.003 1.920 190 HD23 LEU 26 HD23 LEU 26 -8.746 -1.869 0.577 191 H SER 27 HN SER 27 -11.124 -7.156 -2.140 192 HA SER 27 HA SER 27 -9.710 -8.611 -0.086 193 HB2 SER 27 HB2 SER 27 -12.389 -9.525 -1.148 194 HB3 SER 27 HB1 SER 27 -11.360 -10.400 -0.015 195 HG SER 27 HG SER 27 -11.707 -8.044 1.032 196 H GLY 28 HN GLY 28 -8.491 -10.179 -0.988 197 HA2 GLY 28 HA2 GLY 28 -7.989 -11.852 -2.582 198 HA3 GLY 28 HA1 GLY 28 -9.109 -11.084 -3.699 199 H ASP 29 HN ASP 29 -8.275 -9.959 -5.249 200 HA ASP 29 HA ASP 29 -5.495 -9.067 -4.967 201 HB2 ASP 29 HB2 ASP 29 -5.661 -10.648 -6.780 202 HB3 ASP 29 HB1 ASP 29 -7.025 -9.778 -7.477 203 H PHE 30 HN PHE 30 -4.924 -7.096 -5.624 204 HA PHE 30 HA PHE 30 -6.906 -5.152 -6.415 205 HB2 PHE 30 HB2 PHE 30 -6.552 -3.699 -4.468 206 HB3 PHE 30 HB1 PHE 30 -7.209 -5.250 -3.966 207 HD1 PHE 30 HD1 PHE 30 -5.510 -7.000 -3.065 208 HD2 PHE 30 HD2 PHE 30 -4.637 -2.858 -3.476 209 HE1 PHE 30 HE1 PHE 30 -3.661 -7.231 -1.475 210 HE2 PHE 30 HE2 PHE 30 -2.781 -3.090 -1.890 211 HZ PHE 30 HZ PHE 30 -2.284 -5.278 -0.895 212 H LEU 31 HN LEU 31 -4.008 -6.453 -6.890 213 HA LEU 31 HA LEU 31 -2.043 -4.544 -6.466 214 HB2 LEU 31 HB2 LEU 31 -1.643 -6.910 -7.042 215 HB3 LEU 31 HB1 LEU 31 -2.150 -6.566 -8.686 216 HG LEU 31 HG LEU 31 -0.302 -4.868 -8.775 217 HD11 LEU 31 HD11 LEU 31 0.594 -6.287 -6.281 218 HD12 LEU 31 HD12 LEU 31 0.104 -4.599 -6.425 219 HD13 LEU 31 HD13 LEU 31 1.570 -5.161 -7.224 220 HD21 LEU 31 HD21 LEU 31 0.437 -7.775 -8.454 221 HD22 LEU 31 HD22 LEU 31 1.428 -6.534 -9.236 222 HD23 LEU 31 HD23 LEU 31 -0.133 -6.967 -9.923 223 H ASP 32 HN ASP 32 -4.264 -4.853 -9.155 224 HA ASP 32 HA ASP 32 -2.815 -2.816 -10.696 225 HB2 ASP 32 HB2 ASP 32 -3.526 -5.000 -11.697 226 HB3 ASP 32 HB1 ASP 32 -5.193 -4.499 -11.469 227 H LEU 33 HN LEU 33 -5.213 -2.975 -8.451 228 HA LEU 33 HA LEU 33 -7.130 -1.274 -9.770 229 HB2 LEU 33 HB2 LEU 33 -7.098 -2.340 -6.955 230 HB3 LEU 33 HB1 LEU 33 -8.449 -1.552 -7.746 231 HG LEU 33 HG LEU 33 -7.263 -4.234 -8.459 232 HD11 LEU 33 HD11 LEU 33 -9.946 -3.496 -7.329 233 HD12 LEU 33 HD12 LEU 33 -8.626 -4.268 -6.452 234 HD13 LEU 33 HD13 LEU 33 -9.421 -5.119 -7.775 235 HD21 LEU 33 HD21 LEU 33 -9.546 -2.746 -9.752 236 HD22 LEU 33 HD22 LEU 33 -9.074 -4.410 -10.099 237 HD23 LEU 33 HD23 LEU 33 -7.974 -3.085 -10.478 238 H ARG 34 HN ARG 34 -7.778 0.716 -8.964 239 HA ARG 34 HA ARG 34 -5.583 2.431 -8.191 240 HB2 ARG 34 HB2 ARG 34 -8.529 2.973 -8.569 241 HB3 ARG 34 HB1 ARG 34 -7.284 4.197 -8.386 242 HG2 ARG 34 HG2 ARG 34 -7.273 2.182 -10.603 243 HG3 ARG 34 HG1 ARG 34 -8.089 3.739 -10.728 244 HD2 ARG 34 HD2 ARG 34 -5.165 3.356 -10.103 245 HD3 ARG 34 HD1 ARG 34 -5.813 3.743 -11.700 246 HE ARG 34 HE ARG 34 -6.665 5.584 -9.675 247 HH11 ARG 34 HH11 ARG 34 -4.069 4.925 -11.992 248 HH12 ARG 34 HH12 ARG 34 -3.486 6.525 -11.956 249 HH21 ARG 34 HH21 ARG 34 -5.980 7.628 -9.672 250 HH22 ARG 34 HH22 ARG 34 -4.643 8.194 -10.574 251 H PHE 35 HN PHE 35 -5.134 3.082 -6.105 252 HA PHE 35 HA PHE 35 -6.378 2.041 -3.857 253 HB2 PHE 35 HB2 PHE 35 -4.794 4.597 -4.134 254 HB3 PHE 35 HB1 PHE 35 -5.407 4.034 -2.587 255 HD1 PHE 35 HD1 PHE 35 -4.840 1.343 -2.307 256 HD2 PHE 35 HD2 PHE 35 -2.584 4.224 -4.460 257 HE1 PHE 35 HE1 PHE 35 -2.831 -0.050 -2.055 258 HE2 PHE 35 HE2 PHE 35 -0.575 2.840 -4.211 259 HZ PHE 35 HZ PHE 35 -0.692 0.719 -2.921 260 H GLU 36 HN GLU 36 -6.971 5.129 -5.407 261 HA GLU 36 HA GLU 36 -8.942 6.216 -3.795 262 HB2 GLU 36 HB2 GLU 36 -9.653 7.468 -5.794 263 HB3 GLU 36 HB1 GLU 36 -7.900 7.415 -5.663 264 HG2 GLU 36 HG2 GLU 36 -7.845 5.600 -7.325 265 HG3 GLU 36 HG1 GLU 36 -9.594 5.697 -7.470 266 H ASP 37 HN ASP 37 -9.174 3.610 -6.043 267 HA ASP 37 HA ASP 37 -12.070 3.621 -6.132 268 HB2 ASP 37 HB2 ASP 37 -10.966 3.280 -8.215 269 HB3 ASP 37 HB1 ASP 37 -9.954 2.014 -7.543 270 H ILE 38 HN ILE 38 -9.489 1.922 -4.539 271 HA ILE 38 HA ILE 38 -11.361 -0.165 -3.742 272 HB ILE 38 HB ILE 38 -9.410 -1.478 -2.997 273 HG12 ILE 38 HG12 ILE 38 -7.827 0.740 -4.334 274 HG13 ILE 38 HG11 ILE 38 -7.820 0.363 -2.618 275 HG21 ILE 38 HG21 ILE 38 -10.447 -1.842 -5.130 276 HG22 ILE 38 HG22 ILE 38 -8.697 -2.055 -5.281 277 HG23 ILE 38 HG23 ILE 38 -9.466 -0.570 -5.853 278 HD11 ILE 38 HD11 ILE 38 -6.808 -1.411 -4.829 279 HD12 ILE 38 HD12 ILE 38 -6.793 -1.803 -3.111 280 HD13 ILE 38 HD13 ILE 38 -5.819 -0.462 -3.720 281 H GLY 39 HN GLY 39 -11.331 2.429 -2.464 282 HA2 GLY 39 HA2 GLY 39 -12.267 2.713 -0.293 283 HA3 GLY 39 HA1 GLY 39 -11.394 1.289 0.234 284 H TYR 40 HN TYR 40 -9.261 3.251 -1.433 285 HA TYR 40 HA TYR 40 -8.382 4.462 1.102 286 HB2 TYR 40 HB2 TYR 40 -6.774 3.953 -1.419 287 HB3 TYR 40 HB1 TYR 40 -6.157 4.659 0.064 288 HD1 TYR 40 HD1 TYR 40 -7.660 1.565 -1.313 289 HD2 TYR 40 HD2 TYR 40 -5.257 3.292 1.726 290 HE1 TYR 40 HE1 TYR 40 -7.092 -0.671 -0.512 291 HE2 TYR 40 HE2 TYR 40 -4.681 1.048 2.542 292 HH TYR 40 HH TYR 40 -5.625 -1.200 2.478 293 H ASP 41 HN ASP 41 -9.154 6.469 1.205 294 HA ASP 41 HA ASP 41 -9.620 7.968 -1.221 295 HB2 ASP 41 HB2 ASP 41 -11.072 8.075 0.883 296 HB3 ASP 41 HB1 ASP 41 -9.771 8.994 1.608 297 H SER 42 HN SER 42 -7.715 8.403 1.647 298 HA SER 42 HA SER 42 -5.252 8.954 0.440 299 HB2 SER 42 HB2 SER 42 -5.112 11.438 0.795 300 HB3 SER 42 HB1 SER 42 -6.258 10.954 -0.471 301 H LEU 43 HN LEU 43 -7.317 10.041 3.067 302 HA LEU 43 HA LEU 43 -5.377 10.464 5.054 303 HB2 LEU 43 HB2 LEU 43 -7.933 11.001 4.998 304 HB3 LEU 43 HB1 LEU 43 -8.145 9.384 5.610 305 HG LEU 43 HG LEU 43 -8.344 11.012 7.388 306 HD11 LEU 43 HD11 LEU 43 -6.727 10.204 9.010 307 HD12 LEU 43 HD12 LEU 43 -5.796 9.462 7.708 308 HD13 LEU 43 HD13 LEU 43 -7.427 8.894 8.059 309 HD21 LEU 43 HD21 LEU 43 -5.552 11.875 6.681 310 HD22 LEU 43 HD22 LEU 43 -6.466 12.419 8.087 311 HD23 LEU 43 HD23 LEU 43 -7.034 12.807 6.461 312 H ALA 44 HN ALA 44 -7.313 7.593 4.308 313 HA ALA 44 HA ALA 44 -6.150 5.843 6.194 314 HB1 ALA 44 HB1 ALA 44 -7.154 4.061 4.842 315 HB2 ALA 44 HB2 ALA 44 -7.453 5.218 3.544 316 HB3 ALA 44 HB3 ALA 44 -8.296 5.390 5.081 317 H LEU 45 HN LEU 45 -5.464 6.589 2.863 318 HA LEU 45 HA LEU 45 -3.658 4.547 2.266 319 HB2 LEU 45 HB2 LEU 45 -4.709 5.850 0.548 320 HB3 LEU 45 HB1 LEU 45 -3.916 7.306 1.110 321 HG LEU 45 HG LEU 45 -1.734 6.288 0.487 322 HD11 LEU 45 HD11 LEU 45 -3.447 4.165 -0.782 323 HD12 LEU 45 HD12 LEU 45 -2.343 3.949 0.577 324 HD13 LEU 45 HD13 LEU 45 -1.711 4.369 -1.015 325 HD21 LEU 45 HD21 LEU 45 -2.018 6.644 -1.905 326 HD22 LEU 45 HD22 LEU 45 -2.862 7.864 -0.942 327 HD23 LEU 45 HD23 LEU 45 -3.773 6.559 -1.705 328 H MET 46 HN MET 46 -3.072 7.786 3.602 329 HA MET 46 HA MET 46 -0.254 7.554 3.436 330 HB2 MET 46 HB2 MET 46 -0.073 9.504 4.830 331 HB3 MET 46 HB1 MET 46 -1.439 9.730 3.751 332 HG2 MET 46 HG2 MET 46 -2.998 9.286 5.509 333 HG3 MET 46 HG1 MET 46 -1.706 8.782 6.591 334 HE1 MET 46 HE1 MET 46 -3.926 10.834 7.478 335 HE2 MET 46 HE2 MET 46 -2.945 12.051 8.293 336 HE3 MET 46 HE3 MET 46 -2.582 10.339 8.508 337 H GLU 47 HN GLU 47 -2.579 6.645 5.945 338 HA GLU 47 HA GLU 47 -0.618 5.965 7.853 339 HB2 GLU 47 HB2 GLU 47 -3.459 4.946 7.626 340 HB3 GLU 47 HB1 GLU 47 -2.427 4.778 9.037 341 HG2 GLU 47 HG2 GLU 47 -2.301 7.315 9.061 342 HG3 GLU 47 HG1 GLU 47 -3.608 7.284 7.883 343 H THR 48 HN THR 48 -2.177 4.254 5.255 344 HA THR 48 HA THR 48 -1.209 1.677 5.705 345 HB THR 48 HB THR 48 -1.569 3.061 3.036 346 HG1 THR 48 HG1 THR 48 -3.361 2.361 5.010 347 HG21 THR 48 HG21 THR 48 -1.856 0.174 3.872 348 HG22 THR 48 HG22 THR 48 -0.496 0.854 2.985 349 HG23 THR 48 HG23 THR 48 -2.102 0.836 2.255 350 H ALA 49 HN ALA 49 0.119 4.308 3.689 351 HA ALA 49 HA ALA 49 2.480 3.090 2.886 352 HB1 ALA 49 HB1 ALA 49 1.592 5.170 1.898 353 HB2 ALA 49 HB2 ALA 49 3.284 5.333 2.351 354 HB3 ALA 49 HB3 ALA 49 2.030 6.045 3.362 355 H ALA 50 HN ALA 50 1.924 5.154 5.726 356 HA ALA 50 HA ALA 50 4.566 5.104 6.694 357 HB1 ALA 50 HB1 ALA 50 3.631 5.898 8.791 358 HB2 ALA 50 HB2 ALA 50 2.013 5.446 8.253 359 HB3 ALA 50 HB3 ALA 50 2.894 6.729 7.422 360 H ARG 51 HN ARG 51 1.927 2.866 7.074 361 HA ARG 51 HA ARG 51 3.009 1.363 9.240 362 HB2 ARG 51 HB2 ARG 51 0.592 1.422 8.440 363 HB3 ARG 51 HB1 ARG 51 1.098 0.384 7.117 364 HG2 ARG 51 HG2 ARG 51 1.787 -1.316 8.733 365 HG3 ARG 51 HG1 ARG 51 1.248 -0.267 10.048 366 HD2 ARG 51 HD2 ARG 51 -1.022 -0.268 8.992 367 HD3 ARG 51 HD1 ARG 51 -0.435 -1.509 7.882 368 HE ARG 51 HE ARG 51 -0.275 -1.902 10.778 369 HH11 ARG 51 HH11 ARG 51 -1.684 -2.950 7.685 370 HH12 ARG 51 HH12 ARG 51 -2.215 -4.441 8.347 371 HH21 ARG 51 HH21 ARG 51 -1.096 -3.862 11.599 372 HH22 ARG 51 HH22 ARG 51 -1.912 -4.945 10.544 373 H LEU 52 HN LEU 52 3.226 1.250 5.773 374 HA LEU 52 HA LEU 52 4.623 -1.215 5.532 375 HB2 LEU 52 HB2 LEU 52 4.542 1.188 3.707 376 HB3 LEU 52 HB1 LEU 52 5.193 -0.381 3.277 377 HG LEU 52 HG LEU 52 2.309 0.062 4.040 378 HD11 LEU 52 HD11 LEU 52 2.868 1.322 2.025 379 HD12 LEU 52 HD12 LEU 52 1.845 -0.071 1.661 380 HD13 LEU 52 HD13 LEU 52 3.575 -0.134 1.322 381 HD21 LEU 52 HD21 LEU 52 3.136 -2.215 4.333 382 HD22 LEU 52 HD22 LEU 52 3.735 -2.214 2.675 383 HD23 LEU 52 HD23 LEU 52 2.001 -2.116 2.987 384 H GLU 53 HN GLU 53 5.575 2.178 5.692 385 HA GLU 53 HA GLU 53 8.323 1.931 5.365 386 HB2 GLU 53 HB2 GLU 53 6.791 3.904 7.046 387 HB3 GLU 53 HB1 GLU 53 8.498 4.042 6.659 388 HG2 GLU 53 HG2 GLU 53 7.956 4.178 4.310 389 HG3 GLU 53 HG1 GLU 53 6.241 4.041 4.676 390 H SER 54 HN SER 54 6.505 2.089 8.381 391 HA SER 54 HA SER 54 8.712 1.765 10.044 392 HB2 SER 54 HB2 SER 54 6.911 1.252 11.769 393 HB3 SER 54 HB1 SER 54 6.796 2.801 10.933 394 HG SER 54 HG SER 54 5.042 2.169 9.934 395 H ARG 55 HN ARG 55 6.282 -0.625 9.027 396 HA ARG 55 HA ARG 55 7.396 -2.722 10.546 397 HB2 ARG 55 HB2 ARG 55 5.086 -2.790 9.921 398 HB3 ARG 55 HB1 ARG 55 5.495 -2.791 8.215 399 HG2 ARG 55 HG2 ARG 55 6.512 -4.991 8.448 400 HG3 ARG 55 HG1 ARG 55 6.130 -4.990 10.172 401 HD2 ARG 55 HD2 ARG 55 4.108 -4.779 7.954 402 HD3 ARG 55 HD1 ARG 55 4.514 -6.276 8.788 403 HE ARG 55 HE ARG 55 3.786 -4.261 10.634 404 HH11 ARG 55 HH11 ARG 55 2.336 -6.469 8.276 405 HH12 ARG 55 HH12 ARG 55 0.848 -6.601 9.067 406 HH21 ARG 55 HH21 ARG 55 1.740 -4.416 11.753 407 HH22 ARG 55 HH22 ARG 55 0.544 -5.480 11.155 408 H TYR 56 HN TYR 56 7.790 -1.936 7.081 409 HA TYR 56 HA TYR 56 9.385 -4.342 6.870 410 HB2 TYR 56 HB2 TYR 56 8.406 -2.491 4.691 411 HB3 TYR 56 HB1 TYR 56 9.308 -3.986 4.423 412 HD1 TYR 56 HD2 TYR 56 8.273 -6.160 5.414 413 HD2 TYR 56 HD1 TYR 56 6.078 -2.567 4.832 414 HE1 TYR 56 HE2 TYR 56 6.183 -7.444 5.418 415 HE2 TYR 56 HE1 TYR 56 3.980 -3.838 4.827 416 HH TYR 56 HH TYR 56 3.701 -7.022 5.859 417 H GLY 57 HN GLY 57 10.017 -1.193 7.578 418 HA2 GLY 57 HA2 GLY 57 12.082 -0.255 8.018 419 HA3 GLY 57 HA1 GLY 57 12.838 -1.686 7.328 420 H VAL 58 HN VAL 58 10.534 0.530 5.904 421 HA VAL 58 HA VAL 58 12.565 1.247 3.926 422 HB VAL 58 HB VAL 58 10.857 1.452 2.166 423 HG11 VAL 58 HG11 VAL 58 10.847 -1.245 3.469 424 HG12 VAL 58 HG12 VAL 58 12.035 -0.638 2.307 425 HG13 VAL 58 HG13 VAL 58 10.358 -0.907 1.810 426 HG21 VAL 58 HG21 VAL 58 8.941 0.310 4.195 427 HG22 VAL 58 HG22 VAL 58 8.602 0.534 2.479 428 HG23 VAL 58 HG23 VAL 58 8.901 1.936 3.507 429 H SER 59 HN SER 59 11.793 3.323 2.692 430 HA SER 59 HA SER 59 10.453 5.123 4.545 431 HB2 SER 59 HB2 SER 59 13.083 5.708 3.144 432 HB3 SER 59 HB1 SER 59 12.197 6.803 4.208 433 HG SER 59 HG SER 59 12.605 4.402 5.353 434 H ILE 60 HN ILE 60 8.776 5.865 3.441 435 HA ILE 60 HA ILE 60 8.940 6.065 0.518 436 HB ILE 60 HB ILE 60 6.478 6.108 2.309 437 HG12 ILE 60 HG12 ILE 60 7.472 3.904 0.482 438 HG13 ILE 60 HG11 ILE 60 7.600 3.891 2.236 439 HG21 ILE 60 HG21 ILE 60 6.714 6.009 -0.705 440 HG22 ILE 60 HG22 ILE 60 6.158 7.383 0.248 441 HG23 ILE 60 HG23 ILE 60 5.209 5.896 0.208 442 HD11 ILE 60 HD11 ILE 60 5.742 2.524 1.465 443 HD12 ILE 60 HD12 ILE 60 5.033 3.924 0.656 444 HD13 ILE 60 HD13 ILE 60 5.165 3.893 2.416 445 HA PRO 61 HA PRO 61 9.444 10.417 1.567 446 HB2 PRO 61 HB2 PRO 61 9.483 10.649 -1.386 447 HB3 PRO 61 HB1 PRO 61 10.669 11.207 -0.200 448 HG2 PRO 61 HG2 PRO 61 11.187 9.103 -1.742 449 HG3 PRO 61 HG1 PRO 61 11.680 9.127 -0.036 450 HD2 PRO 61 HD2 PRO 61 9.333 7.774 -1.311 451 HD3 PRO 61 HD1 PRO 61 10.461 7.154 -0.084 452 H ASP 62 HN ASP 62 8.147 12.148 1.487 453 HA ASP 62 HA ASP 62 5.373 11.838 1.323 454 HB2 ASP 62 HB2 ASP 62 6.596 13.563 2.650 455 HB3 ASP 62 HB1 ASP 62 6.954 14.417 1.159 456 H ASP 63 HN ASP 63 7.661 13.099 -1.003 457 HA ASP 63 HA ASP 63 5.731 13.986 -2.938 458 HB2 ASP 63 HB2 ASP 63 8.687 13.417 -3.172 459 HB3 ASP 63 HB1 ASP 63 7.713 13.983 -4.519 460 H VAL 64 HN VAL 64 7.552 11.021 -2.462 461 HA VAL 64 HA VAL 64 6.853 9.977 -5.047 462 HB VAL 64 HB VAL 64 8.093 8.517 -2.686 463 HG11 VAL 64 HG11 VAL 64 7.071 6.956 -4.273 464 HG12 VAL 64 HG12 VAL 64 8.828 6.855 -4.332 465 HG13 VAL 64 HG13 VAL 64 7.953 7.713 -5.598 466 HG21 VAL 64 HG21 VAL 64 9.377 9.779 -5.103 467 HG22 VAL 64 HG22 VAL 64 10.209 8.822 -3.878 468 HG23 VAL 64 HG23 VAL 64 9.472 10.365 -3.443 469 H ALA 65 HN ALA 65 5.531 9.832 -1.866 470 HA ALA 65 HA ALA 65 3.824 7.628 -2.124 471 HB1 ALA 65 HB1 ALA 65 2.542 8.629 -0.304 472 HB2 ALA 65 HB2 ALA 65 3.370 10.167 -0.553 473 HB3 ALA 65 HB3 ALA 65 4.275 8.761 0.008 474 H GLY 66 HN GLY 66 3.690 10.753 -3.550 475 HA2 GLY 66 HA2 GLY 66 0.882 10.776 -4.065 476 HA3 GLY 66 HA1 GLY 66 2.082 11.863 -4.743 477 H ARG 67 HN ARG 67 3.540 9.205 -5.658 478 HA ARG 67 HA ARG 67 2.049 9.213 -8.188 479 HB2 ARG 67 HB2 ARG 67 3.959 8.318 -9.290 480 HB3 ARG 67 HB1 ARG 67 4.507 9.639 -8.273 481 HG2 ARG 67 HG2 ARG 67 5.827 8.301 -7.045 482 HG3 ARG 67 HG1 ARG 67 4.619 7.013 -6.979 483 HD2 ARG 67 HD2 ARG 67 6.438 7.637 -9.308 484 HD3 ARG 67 HD1 ARG 67 6.594 6.271 -8.201 485 HE ARG 67 HE ARG 67 4.019 6.267 -9.340 486 HH11 ARG 67 HH11 ARG 67 7.357 5.346 -10.141 487 HH12 ARG 67 HH12 ARG 67 6.908 4.446 -11.522 488 HH21 ARG 67 HH21 ARG 67 3.424 4.943 -11.140 489 HH22 ARG 67 HH22 ARG 67 4.603 4.201 -12.091 490 H VAL 68 HN VAL 68 2.221 7.301 -5.489 491 HA VAL 68 HA VAL 68 1.918 4.906 -7.064 492 HB VAL 68 HB VAL 68 1.920 3.633 -4.895 493 HG11 VAL 68 HG11 VAL 68 4.265 5.462 -5.380 494 HG12 VAL 68 HG12 VAL 68 3.952 3.920 -6.177 495 HG13 VAL 68 HG13 VAL 68 4.313 3.964 -4.450 496 HG21 VAL 68 HG21 VAL 68 2.708 4.746 -2.882 497 HG22 VAL 68 HG22 VAL 68 1.130 5.384 -3.368 498 HG23 VAL 68 HG23 VAL 68 2.606 6.316 -3.678 499 H ASP 69 HN ASP 69 0.086 5.122 -8.073 500 HA ASP 69 HA ASP 69 -2.354 5.700 -6.577 501 HB2 ASP 69 HB2 ASP 69 -1.881 5.340 -9.540 502 HB3 ASP 69 HB1 ASP 69 -3.438 5.698 -8.816 503 H THR 70 HN THR 70 -0.792 3.195 -8.383 504 HA THR 70 HA THR 70 -2.880 1.350 -7.488 505 HB THR 70 HB THR 70 -1.980 -0.216 -9.221 506 HG1 THR 70 HG1 THR 70 -0.333 2.031 -9.827 507 HG21 THR 70 HG21 THR 70 -3.896 1.208 -9.777 508 HG22 THR 70 HG22 THR 70 -2.864 0.967 -11.189 509 HG23 THR 70 HG23 THR 70 -2.802 2.488 -10.302 510 HA PRO 71 HA PRO 71 -0.047 -0.502 -4.593 511 HB2 PRO 71 HB2 PRO 71 -1.163 -3.076 -5.600 512 HB3 PRO 71 HB1 PRO 71 -1.017 -2.489 -3.937 513 HG2 PRO 71 HG2 PRO 71 -3.368 -2.462 -5.119 514 HG3 PRO 71 HG1 PRO 71 -2.853 -1.074 -4.141 515 HD2 PRO 71 HD2 PRO 71 -2.889 -1.389 -7.113 516 HD3 PRO 71 HD1 PRO 71 -3.363 0.007 -6.120 517 H ARG 72 HN ARG 72 -0.295 -1.676 -7.865 518 HA ARG 72 HA ARG 72 1.931 -3.247 -8.272 519 HB2 ARG 72 HB2 ARG 72 0.250 -2.555 -9.972 520 HB3 ARG 72 HB1 ARG 72 1.002 -0.970 -10.027 521 HG2 ARG 72 HG2 ARG 72 3.145 -2.288 -10.651 522 HG3 ARG 72 HG1 ARG 72 2.013 -3.584 -11.054 523 HD2 ARG 72 HD2 ARG 72 2.092 -0.800 -12.174 524 HD3 ARG 72 HD1 ARG 72 2.442 -2.293 -13.028 525 HE ARG 72 HE ARG 72 0.057 -2.884 -12.601 526 HH11 ARG 72 HH11 ARG 72 1.046 0.564 -12.907 527 HH12 ARG 72 HH12 ARG 72 -0.488 1.087 -13.391 528 HH21 ARG 72 HH21 ARG 72 -2.040 -2.110 -13.339 529 HH22 ARG 72 HH22 ARG 72 -2.289 -0.467 -13.645 530 H GLU 73 HN GLU 73 1.744 0.275 -8.557 531 HA GLU 73 HA GLU 73 4.474 0.853 -8.987 532 HB2 GLU 73 HB2 GLU 73 2.283 2.595 -7.846 533 HB3 GLU 73 HB1 GLU 73 3.793 3.161 -8.548 534 HG2 GLU 73 HG2 GLU 73 3.145 2.497 -10.714 535 HG3 GLU 73 HG1 GLU 73 1.790 1.550 -10.096 536 H LEU 74 HN LEU 74 2.425 0.815 -6.159 537 HA LEU 74 HA LEU 74 4.285 1.889 -4.326 538 HB2 LEU 74 HB2 LEU 74 1.831 1.913 -4.013 539 HB3 LEU 74 HB1 LEU 74 1.826 0.178 -3.866 540 HG LEU 74 HG LEU 74 1.500 1.473 -1.738 541 HD11 LEU 74 HD11 LEU 74 2.942 0.069 -0.367 542 HD12 LEU 74 HD12 LEU 74 3.862 -0.382 -1.802 543 HD13 LEU 74 HD13 LEU 74 2.166 -0.846 -1.659 544 HD21 LEU 74 HD21 LEU 74 3.078 3.273 -2.129 545 HD22 LEU 74 HD22 LEU 74 4.419 2.129 -2.105 546 HD23 LEU 74 HD23 LEU 74 3.482 2.418 -0.638 547 H LEU 75 HN LEU 75 3.372 -1.441 -5.110 548 HA LEU 75 HA LEU 75 4.894 -2.874 -3.289 549 HB2 LEU 75 HB2 LEU 75 3.184 -3.816 -4.788 550 HB3 LEU 75 HB1 LEU 75 4.223 -3.523 -6.159 551 HG LEU 75 HG LEU 75 5.850 -5.160 -5.193 552 HD11 LEU 75 HD11 LEU 75 3.588 -5.726 -3.291 553 HD12 LEU 75 HD12 LEU 75 5.153 -5.033 -2.868 554 HD13 LEU 75 HD13 LEU 75 5.056 -6.685 -3.473 555 HD21 LEU 75 HD21 LEU 75 4.295 -5.776 -6.941 556 HD22 LEU 75 HD22 LEU 75 3.068 -6.152 -5.733 557 HD23 LEU 75 HD23 LEU 75 4.544 -7.115 -5.822 558 H ASP 76 HN ASP 76 5.684 -1.842 -6.580 559 HA ASP 76 HA ASP 76 8.315 -2.775 -6.603 560 HB2 ASP 76 HB2 ASP 76 7.213 -2.123 -8.676 561 HB3 ASP 76 HB1 ASP 76 7.190 -0.438 -8.155 562 H LEU 77 HN LEU 77 7.025 0.340 -5.480 563 HA LEU 77 HA LEU 77 9.521 1.578 -5.129 564 HB2 LEU 77 HB2 LEU 77 7.275 2.720 -5.192 565 HB3 LEU 77 HB1 LEU 77 6.939 2.077 -3.608 566 HG LEU 77 HG LEU 77 7.572 4.504 -3.688 567 HD11 LEU 77 HD11 LEU 77 9.366 2.768 -2.007 568 HD12 LEU 77 HD12 LEU 77 7.744 3.311 -1.588 569 HD13 LEU 77 HD13 LEU 77 9.052 4.483 -1.742 570 HD21 LEU 77 HD21 LEU 77 10.296 3.410 -4.357 571 HD22 LEU 77 HD22 LEU 77 9.943 5.084 -3.929 572 HD23 LEU 77 HD23 LEU 77 9.275 4.392 -5.407 573 H ILE 78 HN ILE 78 7.523 -0.386 -2.980 574 HA ILE 78 HA ILE 78 9.190 -0.170 -0.696 575 HB ILE 78 HB ILE 78 7.326 -2.455 -1.441 576 HG12 ILE 78 HG12 ILE 78 6.118 -0.322 -1.350 577 HG13 ILE 78 HG11 ILE 78 5.674 -1.344 0.009 578 HG21 ILE 78 HG21 ILE 78 7.272 -2.946 0.980 579 HG22 ILE 78 HG22 ILE 78 8.476 -1.691 1.253 580 HG23 ILE 78 HG23 ILE 78 8.893 -3.120 0.307 581 HD11 ILE 78 HD11 ILE 78 7.589 0.970 0.092 582 HD12 ILE 78 HD12 ILE 78 7.137 -0.045 1.460 583 HD13 ILE 78 HD13 ILE 78 5.926 0.974 0.678 584 H ASN 79 HN ASN 79 8.920 -2.665 -3.216 585 HA ASN 79 HA ASN 79 11.035 -4.250 -2.258 586 HB2 ASN 79 HB2 ASN 79 9.680 -4.119 -4.934 587 HB3 ASN 79 HB1 ASN 79 11.086 -5.159 -4.685 588 HD21 ASN 79 HD21 ASN 79 8.266 -5.903 -5.202 589 HD22 ASN 79 HD22 ASN 79 7.837 -6.880 -3.847 590 H GLY 80 HN GLY 80 11.038 -1.544 -4.414 591 HA2 GLY 80 HA2 GLY 80 13.722 -1.728 -5.225 592 HA3 GLY 80 HA1 GLY 80 12.746 -0.260 -5.190 593 H ALA 81 HN ALA 81 12.150 -0.083 -2.510 594 HA ALA 81 HA ALA 81 14.548 1.062 -1.523 595 HB1 ALA 81 HB1 ALA 81 13.250 1.586 0.484 596 HB2 ALA 81 HB2 ALA 81 11.965 0.506 -0.057 597 HB3 ALA 81 HB3 ALA 81 12.331 1.968 -0.972 598 H LEU 82 HN LEU 82 12.837 -1.930 -0.863 599 HA LEU 82 HA LEU 82 14.426 -2.829 1.277 600 HB2 LEU 82 HB2 LEU 82 12.891 -4.367 -0.809 601 HB3 LEU 82 HB1 LEU 82 13.697 -5.140 0.539 602 HG LEU 82 HG LEU 82 11.477 -3.107 0.812 603 HD11 LEU 82 HD11 LEU 82 10.680 -5.180 -0.202 604 HD12 LEU 82 HD12 LEU 82 10.092 -5.012 1.451 605 HD13 LEU 82 HD13 LEU 82 11.427 -6.109 1.098 606 HD21 LEU 82 HD21 LEU 82 11.443 -3.838 3.142 607 HD22 LEU 82 HD22 LEU 82 13.009 -3.154 2.711 608 HD23 LEU 82 HD23 LEU 82 12.815 -4.905 2.831 609 H ALA 83 HN ALA 83 14.833 -3.082 -2.194 610 HA ALA 83 HA ALA 83 17.136 -4.713 -2.190 611 HB1 ALA 83 HB1 ALA 83 15.738 -4.381 -4.182 612 HB2 ALA 83 HB2 ALA 83 17.428 -3.982 -4.499 613 HB3 ALA 83 HB3 ALA 83 16.250 -2.693 -4.249 614 H GLU 84 HN GLU 84 16.664 -1.233 -2.063 615 HA GLU 84 HA GLU 84 19.404 -0.500 -2.321 616 HB2 GLU 84 HB2 GLU 84 17.135 1.054 -1.075 617 HB3 GLU 84 HB1 GLU 84 18.678 1.711 -1.593 618 HG2 GLU 84 HG2 GLU 84 16.567 0.511 -3.360 619 HG3 GLU 84 HG1 GLU 84 16.928 2.224 -3.172 620 H ALA 85 HN ALA 85 17.222 -0.921 0.398 621 HA ALA 85 HA ALA 85 19.242 -0.302 2.341 622 HB1 ALA 85 HB1 ALA 85 16.895 0.290 2.743 623 HB2 ALA 85 HB2 ALA 85 17.496 -0.817 3.978 624 HB3 ALA 85 HB3 ALA 85 16.456 -1.418 2.687 625 H ALA 86 HN ALA 86 19.163 -2.047 4.265 626 HA ALA 86 HA ALA 86 19.607 -4.674 3.081 627 HB1 ALA 86 HB1 ALA 86 21.787 -3.592 3.361 628 HB2 ALA 86 HB2 ALA 86 21.600 -4.936 4.490 629 HB3 ALA 86 HB3 ALA 86 21.416 -3.276 5.056 630 H28 SXH 87 H28B SXH 87 -5.615 12.304 3.229 631 H28A SXH 87 H28A SXH 87 -6.183 13.905 3.698 632 H30 SXH 87 H30C SXH 87 -2.807 13.558 5.074 633 H30A SXH 87 H30A SXH 87 -3.911 12.215 4.790 634 H30B SXH 87 H30B SXH 87 -4.525 13.734 5.457 635 H31 SXH 87 H31A SXH 87 -3.206 12.007 2.525 636 H31A SXH 87 H31C SXH 87 -3.321 13.372 1.410 637 H31B SXH 87 H31B SXH 87 -2.090 13.361 2.673 638 H32 SXH 87 H32A SXH 87 -4.693 15.875 3.780 639 HO33 SXH 87 H33A SXH 87 -2.947 15.999 1.757 640 HN36 SXH 87 H36A SXH 87 -3.297 15.826 5.643 641 H37 SXH 87 H37A SXH 87 -0.518 16.784 5.168 642 H37A SXH 87 H37B SXH 87 -1.596 17.353 6.413 643 H38 SXH 87 H38A SXH 87 -0.065 16.007 7.499 644 H38A SXH 87 H38B SXH 87 -1.594 15.084 7.461 645 HN41 SXH 87 H41A SXH 87 -0.247 15.036 4.537 646 H42 SXH 87 H42A SXH 87 1.931 13.254 4.579 647 H42A SXH 87 H42B SXH 87 0.437 12.342 4.447 648 H43 SXH 87 H43A SXH 87 1.381 14.441 2.530 649 H43A SXH 87 H43B SXH 87 -0.236 13.760 2.555 650 H2 SXH 87 H2A SXH 87 1.003 10.789 -0.276 651 H2A SXH 87 H2B SXH 87 1.341 11.970 -1.551 652 H3 SXH 87 H3A SXH 87 -1.014 12.585 -1.594 653 H3A SXH 87 H3B SXH 87 -1.345 11.443 -0.288 654 H4 SXH 87 H4B SXH 87 -0.255 10.708 -2.990 655 H4A SXH 87 H4A SXH 87 -0.681 9.598 -1.684 656 H5 SXH 87 H5A SXH 87 -2.597 11.454 -3.107 657 H5A SXH 87 H5B SXH 87 -3.004 10.302 -1.814 658 H6 SXH 87 H6C SXH 87 -3.512 9.389 -4.019 659 H6A SXH 87 H6A SXH 87 -2.234 8.486 -3.207 660 H6B SXH 87 H6B SXH 87 -1.822 9.622 -4.497 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 9.852 -15.951 5.568 2 H2 MET 1 HT2 MET 1 8.228 -15.531 5.422 3 H3 MET 1 HT3 MET 1 8.953 -15.471 6.946 4 HA MET 1 HA MET 1 8.562 -13.332 5.984 5 HB2 MET 1 HB2 MET 1 10.761 -12.360 6.331 6 HB3 MET 1 HB1 MET 1 10.529 -13.650 7.496 7 HG2 MET 1 HG2 MET 1 11.928 -15.120 6.116 8 HG3 MET 1 HG1 MET 1 12.161 -13.804 4.972 9 HE1 MET 1 HE1 MET 1 12.956 -15.208 8.527 10 HE2 MET 1 HE2 MET 1 12.067 -13.738 8.927 11 HE3 MET 1 HE3 MET 1 13.788 -13.856 9.296 12 H ALA 2 HN ALA 2 8.651 -11.974 4.297 13 HA ALA 2 HA ALA 2 9.089 -13.266 1.761 14 HB1 ALA 2 HB1 ALA 2 8.052 -10.517 2.400 15 HB2 ALA 2 HB2 ALA 2 7.068 -11.959 2.152 16 HB3 ALA 2 HB3 ALA 2 8.026 -11.305 0.824 17 H THR 3 HN THR 3 11.037 -13.231 0.873 18 HA THR 3 HA THR 3 12.849 -11.005 1.225 19 HB THR 3 HB THR 3 14.042 -12.377 -0.655 20 HG1 THR 3 HG1 THR 3 12.234 -13.559 -1.307 21 HG21 THR 3 HG21 THR 3 14.873 -14.052 0.957 22 HG22 THR 3 HG22 THR 3 13.526 -13.676 2.035 23 HG23 THR 3 HG23 THR 3 14.756 -12.456 1.699 24 H LEU 4 HN LEU 4 12.246 -9.209 0.209 25 HA LEU 4 HA LEU 4 11.178 -7.754 -1.042 26 HB2 LEU 4 HB2 LEU 4 11.291 -9.859 -3.221 27 HB3 LEU 4 HB1 LEU 4 10.736 -8.216 -3.481 28 HG LEU 4 HG LEU 4 13.536 -9.059 -2.714 29 HD11 LEU 4 HD11 LEU 4 14.135 -8.247 -4.937 30 HD12 LEU 4 HD12 LEU 4 12.434 -7.927 -5.276 31 HD13 LEU 4 HD13 LEU 4 12.985 -9.581 -5.018 32 HD21 LEU 4 HD21 LEU 4 12.962 -6.905 -1.719 33 HD22 LEU 4 HD22 LEU 4 12.420 -6.312 -3.291 34 HD23 LEU 4 HD23 LEU 4 14.122 -6.698 -3.034 35 H LEU 5 HN LEU 5 9.219 -7.113 -0.953 36 HA LEU 5 HA LEU 5 7.314 -8.866 0.260 37 HB2 LEU 5 HB2 LEU 5 7.990 -6.450 0.842 38 HB3 LEU 5 HB1 LEU 5 7.074 -5.969 -0.550 39 HG LEU 5 HG LEU 5 5.767 -7.442 1.733 40 HD11 LEU 5 HD11 LEU 5 6.872 -5.444 2.623 41 HD12 LEU 5 HD12 LEU 5 5.117 -5.249 2.593 42 HD13 LEU 5 HD13 LEU 5 6.112 -4.465 1.368 43 HD21 LEU 5 HD21 LEU 5 3.790 -6.330 0.895 44 HD22 LEU 5 HD22 LEU 5 4.557 -7.284 -0.379 45 HD23 LEU 5 HD23 LEU 5 4.749 -5.531 -0.349 46 H THR 6 HN THR 6 5.521 -9.781 -0.798 47 HA THR 6 HA THR 6 5.289 -8.991 -3.591 48 HB THR 6 HB THR 6 4.204 -11.216 -4.015 49 HG1 THR 6 HG1 THR 6 4.620 -11.470 -1.258 50 HG21 THR 6 HG21 THR 6 6.997 -11.301 -2.876 51 HG22 THR 6 HG22 THR 6 6.564 -10.842 -4.522 52 HG23 THR 6 HG23 THR 6 6.293 -12.495 -3.967 53 H THR 7 HN THR 7 2.930 -9.924 -4.387 54 HA THR 7 HA THR 7 1.118 -7.965 -3.855 55 HB THR 7 HB THR 7 0.516 -10.794 -4.709 56 HG1 THR 7 HG1 THR 7 1.615 -10.423 -6.484 57 HG21 THR 7 HG21 THR 7 -0.617 -8.108 -5.543 58 HG22 THR 7 HG22 THR 7 -1.417 -9.264 -4.476 59 HG23 THR 7 HG23 THR 7 -1.123 -9.678 -6.166 60 H ASP 8 HN ASP 8 1.118 -11.317 -2.659 61 HA ASP 8 HA ASP 8 -1.177 -11.151 -1.031 62 HB2 ASP 8 HB2 ASP 8 1.201 -12.995 -0.652 63 HB3 ASP 8 HB1 ASP 8 -0.348 -13.164 0.153 64 H ASP 9 HN ASP 9 2.186 -10.494 -0.308 65 HA ASP 9 HA ASP 9 1.905 -10.196 2.516 66 HB2 ASP 9 HB2 ASP 9 3.972 -8.929 0.704 67 HB3 ASP 9 HB1 ASP 9 4.046 -8.975 2.453 68 H LEU 10 HN LEU 10 1.856 -7.963 -0.187 69 HA LEU 10 HA LEU 10 1.673 -5.597 1.346 70 HB2 LEU 10 HB2 LEU 10 2.367 -5.724 -1.043 71 HB3 LEU 10 HB1 LEU 10 0.713 -6.092 -1.479 72 HG LEU 10 HG LEU 10 0.043 -3.862 -0.577 73 HD11 LEU 10 HD11 LEU 10 1.782 -2.185 -0.194 74 HD12 LEU 10 HD12 LEU 10 3.019 -3.428 -0.378 75 HD13 LEU 10 HD13 LEU 10 1.883 -3.508 0.968 76 HD21 LEU 10 HD21 LEU 10 0.929 -2.589 -2.465 77 HD22 LEU 10 HD22 LEU 10 0.416 -4.203 -2.956 78 HD23 LEU 10 HD23 LEU 10 2.129 -3.848 -2.752 79 H ARG 11 HN ARG 11 -0.655 -7.742 -0.107 80 HA ARG 11 HA ARG 11 -3.023 -6.390 0.278 81 HB2 ARG 11 HB2 ARG 11 -2.685 -8.560 -0.927 82 HB3 ARG 11 HB1 ARG 11 -2.649 -9.358 0.636 83 HG2 ARG 11 HG2 ARG 11 -4.918 -8.670 1.076 84 HG3 ARG 11 HG1 ARG 11 -4.958 -7.760 -0.435 85 HD2 ARG 11 HD2 ARG 11 -4.611 -10.735 -0.145 86 HD3 ARG 11 HD1 ARG 11 -6.067 -9.903 -0.683 87 HE ARG 11 HE ARG 11 -4.775 -9.174 -2.647 88 HH11 ARG 11 HH11 ARG 11 -3.656 -11.964 -0.804 89 HH12 ARG 11 HH12 ARG 11 -2.794 -12.687 -2.077 90 HH21 ARG 11 HH21 ARG 11 -3.638 -10.265 -4.578 91 HH22 ARG 11 HH22 ARG 11 -2.842 -11.711 -4.238 92 H ARG 12 HN ARG 12 -1.221 -8.364 2.555 93 HA ARG 12 HA ARG 12 -2.971 -8.413 4.735 94 HB2 ARG 12 HB2 ARG 12 0.033 -8.146 4.811 95 HB3 ARG 12 HB1 ARG 12 -0.992 -8.656 6.137 96 HG2 ARG 12 HG2 ARG 12 -1.578 -10.672 4.924 97 HG3 ARG 12 HG1 ARG 12 -0.590 -10.145 3.555 98 HD2 ARG 12 HD2 ARG 12 1.377 -10.102 4.972 99 HD3 ARG 12 HD1 ARG 12 0.405 -10.579 6.356 100 HE ARG 12 HE ARG 12 0.049 -12.530 4.445 101 HH11 ARG 12 HH11 ARG 12 2.674 -11.162 6.384 102 HH12 ARG 12 HH12 ARG 12 3.653 -12.541 6.354 103 HH21 ARG 12 HH21 ARG 12 1.346 -14.563 4.536 104 HH22 ARG 12 HH22 ARG 12 2.847 -14.525 5.350 105 H ALA 13 HN ALA 13 -0.399 -6.121 3.953 106 HA ALA 13 HA ALA 13 -0.689 -4.475 6.231 107 HB1 ALA 13 HB1 ALA 13 1.322 -4.543 4.843 108 HB2 ALA 13 HB2 ALA 13 0.704 -2.900 5.028 109 HB3 ALA 13 HB3 ALA 13 0.428 -3.784 3.526 110 H LEU 14 HN LEU 14 -2.081 -4.230 2.964 111 HA LEU 14 HA LEU 14 -3.387 -1.810 3.349 112 HB2 LEU 14 HB2 LEU 14 -3.721 -4.169 1.553 113 HB3 LEU 14 HB1 LEU 14 -4.907 -2.889 1.534 114 HG LEU 14 HG LEU 14 -3.156 -2.881 -0.232 115 HD11 LEU 14 HD11 LEU 14 -4.506 -0.899 0.226 116 HD12 LEU 14 HD12 LEU 14 -2.856 -0.412 -0.169 117 HD13 LEU 14 HD13 LEU 14 -3.393 -0.424 1.511 118 HD21 LEU 14 HD21 LEU 14 -1.363 -1.887 1.975 119 HD22 LEU 14 HD22 LEU 14 -0.992 -1.807 0.251 120 HD23 LEU 14 HD23 LEU 14 -1.172 -3.370 1.042 121 H VAL 15 HN VAL 15 -4.573 -5.184 3.693 122 HA VAL 15 HA VAL 15 -7.139 -4.324 4.523 123 HB VAL 15 HB VAL 15 -6.691 -6.551 3.419 124 HG11 VAL 15 HG11 VAL 15 -4.795 -7.308 4.651 125 HG12 VAL 15 HG12 VAL 15 -6.109 -8.478 4.776 126 HG13 VAL 15 HG13 VAL 15 -5.751 -7.406 6.131 127 HG21 VAL 15 HG21 VAL 15 -8.863 -6.115 4.394 128 HG22 VAL 15 HG22 VAL 15 -8.285 -6.641 5.976 129 HG23 VAL 15 HG23 VAL 15 -8.414 -7.801 4.655 130 H GLU 16 HN GLU 16 -4.267 -4.615 6.245 131 HA GLU 16 HA GLU 16 -5.510 -4.787 8.851 132 HB2 GLU 16 HB2 GLU 16 -2.702 -4.045 8.060 133 HB3 GLU 16 HB1 GLU 16 -3.258 -4.203 9.710 134 HG2 GLU 16 HG2 GLU 16 -3.677 -6.578 9.333 135 HG3 GLU 16 HG1 GLU 16 -3.120 -6.403 7.663 136 H SER 17 HN SER 17 -4.337 -2.299 6.694 137 HA SER 17 HA SER 17 -4.470 -0.226 8.684 138 HB2 SER 17 HB2 SER 17 -4.013 -0.024 5.707 139 HB3 SER 17 HB1 SER 17 -3.719 1.247 6.895 140 HG SER 17 HG SER 17 -2.363 -1.164 6.456 141 H ALA 18 HN ALA 18 -6.393 -1.248 5.879 142 HA ALA 18 HA ALA 18 -8.256 0.899 6.226 143 HB1 ALA 18 HB1 ALA 18 -8.465 -1.620 4.586 144 HB2 ALA 18 HB2 ALA 18 -7.882 -0.052 3.997 145 HB3 ALA 18 HB3 ALA 18 -9.559 -0.242 4.517 146 H GLY 19 HN GLY 19 -9.435 0.901 8.024 147 HA2 GLY 19 HA2 GLY 19 -10.396 -1.616 9.064 148 HA3 GLY 19 HA1 GLY 19 -10.548 -0.040 9.864 149 H GLU 20 HN GLU 20 -12.180 -2.412 8.359 150 HA GLU 20 HA GLU 20 -14.215 -2.723 7.537 151 HB2 GLU 20 HB2 GLU 20 -15.208 -1.359 9.259 152 HB3 GLU 20 HB1 GLU 20 -14.708 0.121 8.457 153 HG2 GLU 20 HG2 GLU 20 -17.117 -0.292 8.253 154 HG3 GLU 20 HG1 GLU 20 -16.313 -0.244 6.690 155 H THR 21 HN THR 21 -13.715 -3.193 5.560 156 HA THR 21 HA THR 21 -14.325 -1.168 3.619 157 HB THR 21 HB THR 21 -11.867 -1.073 3.943 158 HG1 THR 21 HG1 THR 21 -11.674 -0.634 1.987 159 HG21 THR 21 HG21 THR 21 -11.406 -3.379 4.586 160 HG22 THR 21 HG22 THR 21 -10.423 -2.932 3.191 161 HG23 THR 21 HG23 THR 21 -11.859 -3.937 2.975 162 H ASP 22 HN ASP 22 -15.921 -3.167 4.518 163 HA ASP 22 HA ASP 22 -16.002 -5.654 3.252 164 HB2 ASP 22 HB2 ASP 22 -17.535 -5.076 5.038 165 HB3 ASP 22 HB1 ASP 22 -18.272 -3.823 4.053 166 H GLY 23 HN GLY 23 -17.089 -2.530 2.092 167 HA2 GLY 23 HA2 GLY 23 -18.448 -3.448 -0.240 168 HA3 GLY 23 HA1 GLY 23 -17.920 -1.801 0.064 169 H THR 24 HN THR 24 -15.162 -3.164 0.473 170 HA THR 24 HA THR 24 -14.385 -3.061 -2.340 171 HB THR 24 HB THR 24 -12.659 -3.007 0.139 172 HG1 THR 24 HG1 THR 24 -13.112 -1.066 0.428 173 HG21 THR 24 HG21 THR 24 -12.183 -2.053 -2.683 174 HG22 THR 24 HG22 THR 24 -11.508 -3.509 -1.956 175 HG23 THR 24 HG23 THR 24 -11.038 -1.920 -1.348 176 H ASP 25 HN ASP 25 -12.798 -4.781 -2.935 177 HA ASP 25 HA ASP 25 -13.321 -7.266 -1.576 178 HB2 ASP 25 HB2 ASP 25 -11.444 -6.634 -3.882 179 HB3 ASP 25 HB1 ASP 25 -11.672 -8.240 -3.194 180 H LEU 26 HN LEU 26 -10.287 -5.775 -2.549 181 HA LEU 26 HA LEU 26 -8.301 -5.496 -1.639 182 HB2 LEU 26 HB2 LEU 26 -9.629 -4.112 -0.024 183 HB3 LEU 26 HB1 LEU 26 -9.705 -5.506 1.037 184 HG LEU 26 HG LEU 26 -7.280 -5.437 1.337 185 HD11 LEU 26 HD11 LEU 26 -6.675 -4.575 -0.876 186 HD12 LEU 26 HD12 LEU 26 -5.975 -3.584 0.404 187 HD13 LEU 26 HD13 LEU 26 -7.394 -3.018 -0.471 188 HD21 LEU 26 HD21 LEU 26 -8.696 -4.126 2.831 189 HD22 LEU 26 HD22 LEU 26 -8.598 -2.754 1.725 190 HD23 LEU 26 HD23 LEU 26 -7.149 -3.326 2.553 191 H SER 27 HN SER 27 -9.907 -7.664 0.656 192 HA SER 27 HA SER 27 -7.656 -9.454 0.560 193 HB2 SER 27 HB2 SER 27 -9.085 -9.058 2.674 194 HB3 SER 27 HB1 SER 27 -10.359 -9.952 1.847 195 HG SER 27 HG SER 27 -8.809 -11.713 1.672 196 H GLY 28 HN GLY 28 -7.591 -9.927 -1.477 197 HA2 GLY 28 HA2 GLY 28 -8.735 -12.115 -2.622 198 HA3 GLY 28 HA1 GLY 28 -9.675 -10.723 -3.211 199 H ASP 29 HN ASP 29 -8.585 -8.966 -4.166 200 HA ASP 29 HA ASP 29 -5.789 -8.914 -4.185 201 HB2 ASP 29 HB2 ASP 29 -6.386 -10.412 -6.231 202 HB3 ASP 29 HB1 ASP 29 -6.985 -8.922 -6.967 203 H PHE 30 HN PHE 30 -5.437 -6.903 -6.095 204 HA PHE 30 HA PHE 30 -7.102 -4.673 -5.737 205 HB2 PHE 30 HB2 PHE 30 -6.208 -3.576 -3.753 206 HB3 PHE 30 HB1 PHE 30 -6.787 -5.176 -3.286 207 HD1 PHE 30 HD1 PHE 30 -4.760 -7.034 -3.546 208 HD2 PHE 30 HD2 PHE 30 -4.295 -2.881 -2.782 209 HE1 PHE 30 HE1 PHE 30 -2.548 -7.461 -2.597 210 HE2 PHE 30 HE2 PHE 30 -2.076 -3.315 -1.830 211 HZ PHE 30 HZ PHE 30 -1.200 -5.598 -1.746 212 H LEU 31 HN LEU 31 -3.991 -6.119 -6.255 213 HA LEU 31 HA LEU 31 -2.181 -4.093 -6.040 214 HB2 LEU 31 HB2 LEU 31 -1.761 -6.522 -6.266 215 HB3 LEU 31 HB1 LEU 31 -2.066 -6.366 -7.986 216 HG LEU 31 HG LEU 31 -0.180 -4.768 -8.121 217 HD11 LEU 31 HD11 LEU 31 1.417 -4.696 -6.255 218 HD12 LEU 31 HD12 LEU 31 0.301 -5.652 -5.276 219 HD13 LEU 31 HD13 LEU 31 -0.155 -4.032 -5.805 220 HD21 LEU 31 HD21 LEU 31 1.564 -6.474 -7.950 221 HD22 LEU 31 HD22 LEU 31 0.103 -7.111 -8.707 222 HD23 LEU 31 HD23 LEU 31 0.467 -7.498 -7.025 223 H ASP 32 HN ASP 32 -4.064 -4.928 -8.918 224 HA ASP 32 HA ASP 32 -2.682 -2.868 -10.466 225 HB2 ASP 32 HB2 ASP 32 -3.812 -3.860 -12.402 226 HB3 ASP 32 HB1 ASP 32 -2.911 -5.066 -11.494 227 H LEU 33 HN LEU 33 -5.242 -2.957 -8.471 228 HA LEU 33 HA LEU 33 -7.041 -1.328 -10.073 229 HB2 LEU 33 HB2 LEU 33 -7.208 -2.191 -7.179 230 HB3 LEU 33 HB1 LEU 33 -8.466 -1.351 -8.063 231 HG LEU 33 HG LEU 33 -7.483 -4.152 -8.623 232 HD11 LEU 33 HD11 LEU 33 -8.758 -4.005 -6.558 233 HD12 LEU 33 HD12 LEU 33 -9.682 -4.839 -7.807 234 HD13 LEU 33 HD13 LEU 33 -10.055 -3.164 -7.406 235 HD21 LEU 33 HD21 LEU 33 -8.222 -3.023 -10.660 236 HD22 LEU 33 HD22 LEU 33 -9.738 -2.579 -9.874 237 HD23 LEU 33 HD23 LEU 33 -9.369 -4.277 -10.183 238 H ARG 34 HN ARG 34 -7.671 0.802 -9.250 239 HA ARG 34 HA ARG 34 -5.406 2.371 -8.386 240 HB2 ARG 34 HB2 ARG 34 -8.344 3.129 -8.579 241 HB3 ARG 34 HB1 ARG 34 -6.994 4.243 -8.450 242 HG2 ARG 34 HG2 ARG 34 -7.288 2.366 -10.769 243 HG3 ARG 34 HG1 ARG 34 -8.084 3.937 -10.726 244 HD2 ARG 34 HD2 ARG 34 -5.127 3.592 -10.325 245 HD3 ARG 34 HD1 ARG 34 -5.851 3.814 -11.919 246 HE ARG 34 HE ARG 34 -6.650 5.821 -10.016 247 HH11 ARG 34 HH11 ARG 34 -4.122 4.951 -12.389 248 HH12 ARG 34 HH12 ARG 34 -3.672 6.567 -12.668 249 HH21 ARG 34 HH21 ARG 34 -5.974 8.001 -10.372 250 HH22 ARG 34 HH22 ARG 34 -4.673 8.336 -11.410 251 H PHE 35 HN PHE 35 -5.151 3.264 -6.243 252 HA PHE 35 HA PHE 35 -6.293 2.035 -4.017 253 HB2 PHE 35 HB2 PHE 35 -5.188 4.835 -4.307 254 HB3 PHE 35 HB1 PHE 35 -5.822 4.259 -2.774 255 HD1 PHE 35 HD1 PHE 35 -4.774 2.146 -1.798 256 HD2 PHE 35 HD2 PHE 35 -2.979 4.407 -4.908 257 HE1 PHE 35 HE1 PHE 35 -2.596 1.158 -1.242 258 HE2 PHE 35 HE2 PHE 35 -0.794 3.418 -4.366 259 HZ PHE 35 HZ PHE 35 -0.596 1.796 -2.530 260 H GLU 36 HN GLU 36 -7.468 4.580 -5.937 261 HA GLU 36 HA GLU 36 -9.697 5.571 -4.674 262 HB2 GLU 36 HB2 GLU 36 -9.457 4.864 -7.589 263 HB3 GLU 36 HB1 GLU 36 -10.518 6.073 -6.881 264 HG2 GLU 36 HG2 GLU 36 -8.629 7.415 -6.227 265 HG3 GLU 36 HG1 GLU 36 -7.513 6.183 -6.817 266 H ASP 37 HN ASP 37 -9.305 2.478 -6.374 267 HA ASP 37 HA ASP 37 -12.143 1.897 -6.337 268 HB2 ASP 37 HB2 ASP 37 -9.758 0.282 -7.248 269 HB3 ASP 37 HB1 ASP 37 -11.395 -0.347 -7.247 270 H ILE 38 HN ILE 38 -9.389 1.336 -4.391 271 HA ILE 38 HA ILE 38 -10.794 -0.808 -3.043 272 HB ILE 38 HB ILE 38 -8.712 -1.381 -1.883 273 HG12 ILE 38 HG12 ILE 38 -7.424 0.740 -3.631 274 HG13 ILE 38 HG11 ILE 38 -7.665 0.875 -1.893 275 HG21 ILE 38 HG21 ILE 38 -8.541 -1.218 -4.881 276 HG22 ILE 38 HG22 ILE 38 -9.254 -2.518 -3.923 277 HG23 ILE 38 HG23 ILE 38 -7.514 -2.227 -3.872 278 HD11 ILE 38 HD11 ILE 38 -5.372 0.269 -2.436 279 HD12 ILE 38 HD12 ILE 38 -5.941 -1.173 -3.279 280 HD13 ILE 38 HD13 ILE 38 -6.171 -1.021 -1.538 281 H GLY 39 HN GLY 39 -11.463 1.969 -2.791 282 HA2 GLY 39 HA2 GLY 39 -12.496 3.174 -1.142 283 HA3 GLY 39 HA1 GLY 39 -12.144 1.851 -0.049 284 H TYR 40 HN TYR 40 -9.643 3.586 -1.772 285 HA TYR 40 HA TYR 40 -8.847 4.805 0.771 286 HB2 TYR 40 HB2 TYR 40 -7.274 3.738 -1.531 287 HB3 TYR 40 HB1 TYR 40 -6.589 5.048 -0.574 288 HD1 TYR 40 HD1 TYR 40 -8.596 2.129 0.464 289 HD2 TYR 40 HD2 TYR 40 -4.781 3.991 0.548 290 HE1 TYR 40 HE1 TYR 40 -7.806 0.414 2.007 291 HE2 TYR 40 HE2 TYR 40 -3.970 2.266 2.109 292 HH TYR 40 HH TYR 40 -5.896 -0.557 2.832 293 H ASP 41 HN ASP 41 -9.302 6.837 0.878 294 HA ASP 41 HA ASP 41 -9.693 8.408 -1.529 295 HB2 ASP 41 HB2 ASP 41 -11.298 8.665 0.280 296 HB3 ASP 41 HB1 ASP 41 -10.011 9.130 1.382 297 H SER 42 HN SER 42 -7.696 8.478 1.319 298 HA SER 42 HA SER 42 -5.336 9.444 0.188 299 HB2 SER 42 HB2 SER 42 -6.061 11.509 -0.429 300 HB3 SER 42 HB1 SER 42 -7.377 11.542 0.756 301 H LEU 43 HN LEU 43 -7.326 10.092 3.089 302 HA LEU 43 HA LEU 43 -5.226 10.254 4.922 303 HB2 LEU 43 HB2 LEU 43 -7.594 10.984 5.251 304 HB3 LEU 43 HB1 LEU 43 -8.050 9.309 5.427 305 HG LEU 43 HG LEU 43 -6.071 10.580 7.317 306 HD11 LEU 43 HD11 LEU 43 -8.041 11.972 7.236 307 HD12 LEU 43 HD12 LEU 43 -7.952 11.102 8.773 308 HD13 LEU 43 HD13 LEU 43 -9.075 10.569 7.507 309 HD21 LEU 43 HD21 LEU 43 -6.317 8.119 7.389 310 HD22 LEU 43 HD22 LEU 43 -8.054 8.313 7.634 311 HD23 LEU 43 HD23 LEU 43 -6.921 8.880 8.861 312 H ALA 44 HN ALA 44 -7.151 7.467 3.890 313 HA ALA 44 HA ALA 44 -5.986 5.565 5.633 314 HB1 ALA 44 HB1 ALA 44 -8.121 5.196 4.456 315 HB2 ALA 44 HB2 ALA 44 -6.977 3.883 4.177 316 HB3 ALA 44 HB3 ALA 44 -7.247 5.091 2.925 317 H LEU 45 HN LEU 45 -4.835 7.067 2.808 318 HA LEU 45 HA LEU 45 -3.103 4.953 1.978 319 HB2 LEU 45 HB2 LEU 45 -4.043 6.552 0.373 320 HB3 LEU 45 HB1 LEU 45 -3.203 7.861 1.173 321 HG LEU 45 HG LEU 45 -1.053 6.972 0.423 322 HD11 LEU 45 HD11 LEU 45 -1.615 4.589 0.460 323 HD12 LEU 45 HD12 LEU 45 -0.963 5.068 -1.107 324 HD13 LEU 45 HD13 LEU 45 -2.698 4.821 -0.912 325 HD21 LEU 45 HD21 LEU 45 -1.335 7.389 -1.952 326 HD22 LEU 45 HD22 LEU 45 -2.341 8.506 -1.017 327 HD23 LEU 45 HD23 LEU 45 -3.070 7.116 -1.814 328 H MET 46 HN MET 46 -2.788 7.914 3.915 329 HA MET 46 HA MET 46 0.049 7.697 4.150 330 HB2 MET 46 HB2 MET 46 0.004 9.363 5.889 331 HB3 MET 46 HB1 MET 46 -1.217 9.836 4.721 332 HG2 MET 46 HG2 MET 46 -2.978 9.148 6.161 333 HG3 MET 46 HG1 MET 46 -1.861 8.327 7.244 334 HE1 MET 46 HE1 MET 46 -3.024 9.545 9.318 335 HE2 MET 46 HE2 MET 46 -4.126 10.356 8.205 336 HE3 MET 46 HE3 MET 46 -3.249 11.292 9.414 337 H GLU 47 HN GLU 47 -2.665 6.456 5.963 338 HA GLU 47 HA GLU 47 -1.403 5.505 8.271 339 HB2 GLU 47 HB2 GLU 47 -3.743 4.316 6.763 340 HB3 GLU 47 HB1 GLU 47 -3.322 3.975 8.434 341 HG2 GLU 47 HG2 GLU 47 -4.061 6.703 7.425 342 HG3 GLU 47 HG1 GLU 47 -5.229 5.558 8.077 343 H THR 48 HN THR 48 -2.179 3.880 5.257 344 HA THR 48 HA THR 48 -1.021 1.402 5.801 345 HB THR 48 HB THR 48 -1.364 2.746 3.108 346 HG1 THR 48 HG1 THR 48 -3.357 2.818 4.114 347 HG21 THR 48 HG21 THR 48 -0.079 0.639 3.070 348 HG22 THR 48 HG22 THR 48 -1.655 0.433 2.305 349 HG23 THR 48 HG23 THR 48 -1.381 -0.171 3.938 350 H ALA 49 HN ALA 49 0.260 4.132 3.844 351 HA ALA 49 HA ALA 49 2.716 3.019 3.188 352 HB1 ALA 49 HB1 ALA 49 1.727 4.965 2.072 353 HB2 ALA 49 HB2 ALA 49 3.394 5.256 2.568 354 HB3 ALA 49 HB3 ALA 49 2.065 5.947 3.498 355 H ALA 50 HN ALA 50 1.961 5.206 5.906 356 HA ALA 50 HA ALA 50 4.628 5.482 6.795 357 HB1 ALA 50 HB1 ALA 50 3.645 6.437 8.808 358 HB2 ALA 50 HB2 ALA 50 2.055 5.836 8.321 359 HB3 ALA 50 HB3 ALA 50 2.867 7.067 7.356 360 H ARG 51 HN ARG 51 2.145 3.164 7.446 361 HA ARG 51 HA ARG 51 3.259 2.010 9.790 362 HB2 ARG 51 HB2 ARG 51 0.875 1.907 9.042 363 HB3 ARG 51 HB1 ARG 51 1.371 0.804 7.775 364 HG2 ARG 51 HG2 ARG 51 2.184 -0.741 9.545 365 HG3 ARG 51 HG1 ARG 51 1.459 0.348 10.736 366 HD2 ARG 51 HD2 ARG 51 -0.728 0.079 9.557 367 HD3 ARG 51 HD1 ARG 51 0.051 -1.095 8.510 368 HE ARG 51 HE ARG 51 -0.260 -1.382 11.398 369 HH11 ARG 51 HH11 ARG 51 -0.125 -2.736 8.148 370 HH12 ARG 51 HH12 ARG 51 -0.449 -4.355 8.627 371 HH21 ARG 51 HH21 ARG 51 -0.754 -3.600 12.080 372 HH22 ARG 51 HH22 ARG 51 -0.812 -4.870 10.924 373 H LEU 52 HN LEU 52 3.641 1.548 6.368 374 HA LEU 52 HA LEU 52 4.915 -1.005 6.465 375 HB2 LEU 52 HB2 LEU 52 4.897 1.119 4.332 376 HB3 LEU 52 HB1 LEU 52 5.599 -0.471 4.130 377 HG LEU 52 HG LEU 52 2.685 0.081 4.679 378 HD11 LEU 52 HD11 LEU 52 2.351 -0.615 2.364 379 HD12 LEU 52 HD12 LEU 52 4.098 -0.743 2.149 380 HD13 LEU 52 HD13 LEU 52 3.358 0.828 2.464 381 HD21 LEU 52 HD21 LEU 52 4.150 -2.458 4.003 382 HD22 LEU 52 HD22 LEU 52 2.401 -2.287 4.156 383 HD23 LEU 52 HD23 LEU 52 3.439 -2.048 5.565 384 H GLU 53 HN GLU 53 5.964 2.308 6.431 385 HA GLU 53 HA GLU 53 8.665 1.983 5.907 386 HB2 GLU 53 HB2 GLU 53 7.321 4.068 7.611 387 HB3 GLU 53 HB1 GLU 53 8.963 4.170 6.986 388 HG2 GLU 53 HG2 GLU 53 8.127 4.146 4.724 389 HG3 GLU 53 HG1 GLU 53 6.473 3.999 5.308 390 H SER 54 HN SER 54 7.178 2.407 9.133 391 HA SER 54 HA SER 54 9.552 1.924 10.505 392 HB2 SER 54 HB2 SER 54 7.912 1.634 12.443 393 HB3 SER 54 HB1 SER 54 7.887 3.175 11.583 394 HG SER 54 HG SER 54 5.803 2.206 11.970 395 H ARG 55 HN ARG 55 6.937 -0.199 9.533 396 HA ARG 55 HA ARG 55 7.640 -2.419 11.145 397 HB2 ARG 55 HB2 ARG 55 5.411 -2.032 10.106 398 HB3 ARG 55 HB1 ARG 55 6.105 -2.473 8.555 399 HG2 ARG 55 HG2 ARG 55 6.580 -4.720 9.417 400 HG3 ARG 55 HG1 ARG 55 5.873 -4.264 10.971 401 HD2 ARG 55 HD2 ARG 55 3.762 -3.709 9.730 402 HD3 ARG 55 HD1 ARG 55 4.496 -4.421 8.298 403 HE ARG 55 HE ARG 55 4.638 -6.294 10.372 404 HH11 ARG 55 HH11 ARG 55 2.242 -4.867 8.202 405 HH12 ARG 55 HH12 ARG 55 1.036 -6.034 8.511 406 HH21 ARG 55 HH21 ARG 55 2.989 -7.933 10.786 407 HH22 ARG 55 HH22 ARG 55 1.508 -7.833 9.977 408 H TYR 56 HN TYR 56 8.343 -1.733 7.708 409 HA TYR 56 HA TYR 56 9.966 -4.170 7.668 410 HB2 TYR 56 HB2 TYR 56 8.997 -2.465 5.373 411 HB3 TYR 56 HB1 TYR 56 10.002 -3.900 5.201 412 HD1 TYR 56 HD2 TYR 56 9.051 -6.132 6.014 413 HD2 TYR 56 HD1 TYR 56 6.656 -2.648 5.525 414 HE1 TYR 56 HE2 TYR 56 7.030 -7.534 5.968 415 HE2 TYR 56 HE1 TYR 56 4.640 -4.031 5.473 416 HH TYR 56 HH TYR 56 4.597 -7.311 6.407 417 H GLY 57 HN GLY 57 10.456 -0.872 8.055 418 HA2 GLY 57 HA2 GLY 57 12.488 0.165 8.421 419 HA3 GLY 57 HA1 GLY 57 13.305 -1.277 7.833 420 H VAL 58 HN VAL 58 10.844 0.683 6.287 421 HA VAL 58 HA VAL 58 12.761 1.287 4.149 422 HB VAL 58 HB VAL 58 10.934 1.303 2.501 423 HG11 VAL 58 HG11 VAL 58 10.432 -1.072 2.390 424 HG12 VAL 58 HG12 VAL 58 10.980 -1.262 4.054 425 HG13 VAL 58 HG13 VAL 58 12.128 -0.783 2.796 426 HG21 VAL 58 HG21 VAL 58 8.692 0.463 3.057 427 HG22 VAL 58 HG22 VAL 58 9.081 1.937 3.944 428 HG23 VAL 58 HG23 VAL 58 9.159 0.372 4.756 429 H SER 59 HN SER 59 11.918 3.280 2.829 430 HA SER 59 HA SER 59 10.511 5.143 4.519 431 HB2 SER 59 HB2 SER 59 12.290 6.862 3.764 432 HB3 SER 59 HB1 SER 59 12.749 5.730 5.035 433 HG SER 59 HG SER 59 14.202 6.102 3.078 434 H ILE 60 HN ILE 60 8.883 5.977 3.369 435 HA ILE 60 HA ILE 60 8.982 5.701 0.463 436 HB ILE 60 HB ILE 60 6.614 6.269 2.278 437 HG12 ILE 60 HG12 ILE 60 7.435 3.729 0.843 438 HG13 ILE 60 HG11 ILE 60 7.541 4.010 2.576 439 HG21 ILE 60 HG21 ILE 60 5.239 5.821 0.277 440 HG22 ILE 60 HG22 ILE 60 6.708 5.653 -0.686 441 HG23 ILE 60 HG23 ILE 60 6.305 7.210 0.042 442 HD11 ILE 60 HD11 ILE 60 5.108 4.180 2.684 443 HD12 ILE 60 HD12 ILE 60 5.628 2.631 2.019 444 HD13 ILE 60 HD13 ILE 60 5.011 3.890 0.949 445 HA PRO 61 HA PRO 61 9.951 10.108 0.458 446 HB2 PRO 61 HB2 PRO 61 9.615 9.632 -2.459 447 HB3 PRO 61 HB1 PRO 61 10.962 10.385 -1.593 448 HG2 PRO 61 HG2 PRO 61 11.210 7.942 -2.589 449 HG3 PRO 61 HG1 PRO 61 11.889 8.344 -0.997 450 HD2 PRO 61 HD2 PRO 61 9.378 6.859 -1.663 451 HD3 PRO 61 HD1 PRO 61 10.592 6.524 -0.409 452 H ASP 62 HN ASP 62 8.730 11.905 0.211 453 HA ASP 62 HA ASP 62 5.939 11.689 0.360 454 HB2 ASP 62 HB2 ASP 62 7.203 13.519 1.377 455 HB3 ASP 62 HB1 ASP 62 7.630 14.122 -0.220 456 H ASP 63 HN ASP 63 8.041 12.442 -2.335 457 HA ASP 63 HA ASP 63 5.990 13.292 -4.138 458 HB2 ASP 63 HB2 ASP 63 8.806 12.318 -4.573 459 HB3 ASP 63 HB1 ASP 63 7.745 12.717 -5.911 460 H VAL 64 HN VAL 64 7.412 10.240 -3.305 461 HA VAL 64 HA VAL 64 6.296 8.952 -5.585 462 HB VAL 64 HB VAL 64 7.536 7.656 -3.139 463 HG11 VAL 64 HG11 VAL 64 6.087 6.130 -4.391 464 HG12 VAL 64 HG12 VAL 64 7.781 5.687 -4.581 465 HG13 VAL 64 HG13 VAL 64 6.939 6.531 -5.882 466 HG21 VAL 64 HG21 VAL 64 9.534 7.421 -4.542 467 HG22 VAL 64 HG22 VAL 64 9.109 9.118 -4.307 468 HG23 VAL 64 HG23 VAL 64 8.732 8.318 -5.833 469 H ALA 65 HN ALA 65 5.449 9.410 -2.242 470 HA ALA 65 HA ALA 65 3.385 7.530 -2.003 471 HB1 ALA 65 HB1 ALA 65 3.614 10.202 -0.617 472 HB2 ALA 65 HB2 ALA 65 4.391 8.708 -0.093 473 HB3 ALA 65 HB3 ALA 65 2.634 8.834 -0.087 474 H GLY 66 HN GLY 66 3.447 10.559 -3.672 475 HA2 GLY 66 HA2 GLY 66 0.534 10.637 -3.836 476 HA3 GLY 66 HA1 GLY 66 1.640 11.872 -4.413 477 H ARG 67 HN ARG 67 3.163 9.452 -5.683 478 HA ARG 67 HA ARG 67 1.613 9.645 -8.170 479 HB2 ARG 67 HB2 ARG 67 3.649 9.013 -9.357 480 HB3 ARG 67 HB1 ARG 67 3.927 10.403 -8.321 481 HG2 ARG 67 HG2 ARG 67 4.880 8.832 -6.641 482 HG3 ARG 67 HG1 ARG 67 4.775 7.560 -7.849 483 HD2 ARG 67 HD2 ARG 67 7.022 8.560 -7.804 484 HD3 ARG 67 HD1 ARG 67 6.218 8.827 -9.356 485 HE ARG 67 HE ARG 67 5.576 11.040 -8.016 486 HH11 ARG 67 HH11 ARG 67 8.793 9.496 -8.361 487 HH12 ARG 67 HH12 ARG 67 9.625 10.974 -8.358 488 HH21 ARG 67 HH21 ARG 67 6.769 13.054 -8.027 489 HH22 ARG 67 HH22 ARG 67 8.442 13.057 -8.213 490 H VAL 68 HN VAL 68 1.988 7.540 -5.716 491 HA VAL 68 HA VAL 68 1.830 5.187 -7.367 492 HB VAL 68 HB VAL 68 1.733 3.904 -5.202 493 HG11 VAL 68 HG11 VAL 68 4.011 5.854 -5.462 494 HG12 VAL 68 HG12 VAL 68 3.849 4.308 -6.295 495 HG13 VAL 68 HG13 VAL 68 4.049 4.347 -4.545 496 HG21 VAL 68 HG21 VAL 68 0.715 5.609 -3.746 497 HG22 VAL 68 HG22 VAL 68 2.165 6.609 -3.913 498 HG23 VAL 68 HG23 VAL 68 2.261 5.045 -3.103 499 H ASP 69 HN ASP 69 0.000 5.282 -8.460 500 HA ASP 69 HA ASP 69 -2.498 6.013 -7.147 501 HB2 ASP 69 HB2 ASP 69 -2.075 5.045 -9.976 502 HB3 ASP 69 HB1 ASP 69 -3.526 5.797 -9.334 503 H THR 70 HN THR 70 -0.964 3.222 -8.577 504 HA THR 70 HA THR 70 -3.084 1.551 -7.473 505 HB THR 70 HB THR 70 -2.020 -0.266 -8.834 506 HG1 THR 70 HG1 THR 70 -0.593 1.812 -10.118 507 HG21 THR 70 HG21 THR 70 -3.930 0.973 -9.741 508 HG22 THR 70 HG22 THR 70 -2.803 0.533 -11.024 509 HG23 THR 70 HG23 THR 70 -2.836 2.185 -10.405 510 HA PRO 71 HA PRO 71 -0.474 0.238 -4.111 511 HB2 PRO 71 HB2 PRO 71 -1.383 -2.501 -4.862 512 HB3 PRO 71 HB1 PRO 71 -1.410 -1.704 -3.285 513 HG2 PRO 71 HG2 PRO 71 -3.645 -1.958 -4.659 514 HG3 PRO 71 HG1 PRO 71 -3.292 -0.435 -3.815 515 HD2 PRO 71 HD2 PRO 71 -3.070 -1.095 -6.716 516 HD3 PRO 71 HD1 PRO 71 -3.653 0.391 -5.936 517 H ARG 72 HN ARG 72 -0.369 -1.397 -7.203 518 HA ARG 72 HA ARG 72 1.937 -2.920 -7.099 519 HB2 ARG 72 HB2 ARG 72 0.406 -2.724 -9.028 520 HB3 ARG 72 HB1 ARG 72 1.086 -1.138 -9.364 521 HG2 ARG 72 HG2 ARG 72 3.351 -2.446 -9.412 522 HG3 ARG 72 HG1 ARG 72 2.302 -3.831 -9.721 523 HD2 ARG 72 HD2 ARG 72 2.511 -1.294 -11.314 524 HD3 ARG 72 HD1 ARG 72 2.981 -2.914 -11.808 525 HE ARG 72 HE ARG 72 0.649 -3.534 -11.796 526 HH11 ARG 72 HH11 ARG 72 1.239 0.019 -11.731 527 HH12 ARG 72 HH12 ARG 72 -0.222 0.368 -12.507 528 HH21 ARG 72 HH21 ARG 72 -1.266 -3.019 -12.801 529 HH22 ARG 72 HH22 ARG 72 -1.696 -1.402 -13.208 530 H GLU 73 HN GLU 73 1.606 0.530 -7.867 531 HA GLU 73 HA GLU 73 4.326 1.034 -8.400 532 HB2 GLU 73 HB2 GLU 73 2.292 3.016 -7.380 533 HB3 GLU 73 HB1 GLU 73 3.741 3.361 -8.310 534 HG2 GLU 73 HG2 GLU 73 1.290 1.914 -9.278 535 HG3 GLU 73 HG1 GLU 73 1.770 3.558 -9.682 536 H LEU 74 HN LEU 74 2.359 1.216 -5.529 537 HA LEU 74 HA LEU 74 4.288 2.418 -3.832 538 HB2 LEU 74 HB2 LEU 74 1.772 2.349 -3.486 539 HB3 LEU 74 HB1 LEU 74 1.932 0.664 -3.066 540 HG LEU 74 HG LEU 74 1.608 2.213 -1.133 541 HD11 LEU 74 HD11 LEU 74 4.191 0.682 -1.102 542 HD12 LEU 74 HD12 LEU 74 2.586 0.040 -0.750 543 HD13 LEU 74 HD13 LEU 74 3.308 1.250 0.316 544 HD21 LEU 74 HD21 LEU 74 4.379 3.161 -1.839 545 HD22 LEU 74 HD22 LEU 74 3.491 3.582 -0.374 546 HD23 LEU 74 HD23 LEU 74 2.894 4.103 -1.949 547 H LEU 75 HN LEU 75 3.300 -0.909 -4.455 548 HA LEU 75 HA LEU 75 4.954 -2.325 -2.734 549 HB2 LEU 75 HB2 LEU 75 3.163 -3.329 -4.081 550 HB3 LEU 75 HB1 LEU 75 4.088 -3.026 -5.540 551 HG LEU 75 HG LEU 75 5.815 -4.603 -4.728 552 HD11 LEU 75 HD11 LEU 75 3.841 -5.123 -2.528 553 HD12 LEU 75 HD12 LEU 75 5.426 -4.369 -2.359 554 HD13 LEU 75 HD13 LEU 75 5.300 -6.059 -2.856 555 HD21 LEU 75 HD21 LEU 75 4.067 -5.370 -6.243 556 HD22 LEU 75 HD22 LEU 75 3.019 -5.726 -4.870 557 HD23 LEU 75 HD23 LEU 75 4.512 -6.636 -5.100 558 H ASP 76 HN ASP 76 5.531 -1.251 -6.028 559 HA ASP 76 HA ASP 76 8.115 -2.193 -6.418 560 HB2 ASP 76 HB2 ASP 76 6.860 -1.309 -8.270 561 HB3 ASP 76 HB1 ASP 76 6.783 0.282 -7.522 562 H LEU 77 HN LEU 77 7.060 0.861 -4.951 563 HA LEU 77 HA LEU 77 9.642 1.954 -4.625 564 HB2 LEU 77 HB2 LEU 77 7.514 3.250 -4.519 565 HB3 LEU 77 HB1 LEU 77 7.127 2.485 -3.004 566 HG LEU 77 HG LEU 77 7.915 4.853 -2.841 567 HD11 LEU 77 HD11 LEU 77 8.050 3.452 -0.875 568 HD12 LEU 77 HD12 LEU 77 9.416 4.562 -0.945 569 HD13 LEU 77 HD13 LEU 77 9.635 2.867 -1.378 570 HD21 LEU 77 HD21 LEU 77 10.307 5.330 -3.067 571 HD22 LEU 77 HD22 LEU 77 9.577 4.834 -4.595 572 HD23 LEU 77 HD23 LEU 77 10.566 3.695 -3.680 573 H ILE 78 HN ILE 78 7.661 -0.091 -2.585 574 HA ILE 78 HA ILE 78 9.317 -0.104 -0.282 575 HB ILE 78 HB ILE 78 7.407 -2.255 -1.272 576 HG12 ILE 78 HG12 ILE 78 6.258 -0.124 -0.972 577 HG13 ILE 78 HG11 ILE 78 5.765 -1.263 0.274 578 HG21 ILE 78 HG21 ILE 78 7.296 -3.000 1.075 579 HG22 ILE 78 HG22 ILE 78 8.546 -1.832 1.494 580 HG23 ILE 78 HG23 ILE 78 8.916 -3.163 0.398 581 HD11 ILE 78 HD11 ILE 78 7.735 0.992 0.607 582 HD12 ILE 78 HD12 ILE 78 7.240 -0.137 1.870 583 HD13 ILE 78 HD13 ILE 78 6.064 0.975 1.171 584 H ASN 79 HN ASN 79 8.936 -2.422 -2.935 585 HA ASN 79 HA ASN 79 11.018 -4.130 -2.117 586 HB2 ASN 79 HB2 ASN 79 9.646 -3.826 -4.773 587 HB3 ASN 79 HB1 ASN 79 10.921 -5.016 -4.497 588 HD21 ASN 79 HD21 ASN 79 8.091 -5.435 -5.094 589 HD22 ASN 79 HD22 ASN 79 7.494 -6.366 -3.762 590 H GLY 80 HN GLY 80 11.037 -1.383 -4.285 591 HA2 GLY 80 HA2 GLY 80 13.650 -1.632 -5.240 592 HA3 GLY 80 HA1 GLY 80 12.785 -0.111 -5.034 593 H ALA 81 HN ALA 81 12.390 -0.238 -2.269 594 HA ALA 81 HA ALA 81 14.893 0.728 -1.334 595 HB1 ALA 81 HB1 ALA 81 12.373 0.097 0.210 596 HB2 ALA 81 HB2 ALA 81 12.769 1.655 -0.520 597 HB3 ALA 81 HB3 ALA 81 13.743 1.031 0.812 598 H LEU 82 HN LEU 82 12.951 -2.157 -0.663 599 HA LEU 82 HA LEU 82 14.645 -3.350 1.222 600 HB2 LEU 82 HB2 LEU 82 12.800 -4.657 -0.773 601 HB3 LEU 82 HB1 LEU 82 13.591 -5.512 0.532 602 HG LEU 82 HG LEU 82 11.579 -3.285 0.879 603 HD11 LEU 82 HD11 LEU 82 10.576 -5.319 -0.023 604 HD12 LEU 82 HD12 LEU 82 10.093 -5.059 1.654 605 HD13 LEU 82 HD13 LEU 82 11.317 -6.264 1.267 606 HD21 LEU 82 HD21 LEU 82 13.210 -3.395 2.702 607 HD22 LEU 82 HD22 LEU 82 12.884 -5.117 2.895 608 HD23 LEU 82 HD23 LEU 82 11.620 -3.938 3.240 609 H ALA 83 HN ALA 83 14.753 -3.424 -2.265 610 HA ALA 83 HA ALA 83 16.773 -5.364 -2.511 611 HB1 ALA 83 HB1 ALA 83 17.031 -4.569 -4.788 612 HB2 ALA 83 HB2 ALA 83 16.107 -3.113 -4.403 613 HB3 ALA 83 HB3 ALA 83 15.323 -4.694 -4.366 614 H GLU 84 HN GLU 84 17.014 -1.795 -2.607 615 HA GLU 84 HA GLU 84 19.886 -2.011 -2.750 616 HB2 GLU 84 HB2 GLU 84 19.889 0.447 -2.912 617 HB3 GLU 84 HB1 GLU 84 18.894 -0.343 -4.124 618 HG2 GLU 84 HG2 GLU 84 16.893 0.215 -2.866 619 HG3 GLU 84 HG1 GLU 84 17.878 0.957 -1.610 620 H ALA 85 HN ALA 85 17.584 -0.983 -0.267 621 HA ALA 85 HA ALA 85 19.709 0.054 1.379 622 HB1 ALA 85 HB1 ALA 85 17.520 1.162 1.377 623 HB2 ALA 85 HB2 ALA 85 17.948 0.568 2.983 624 HB3 ALA 85 HB3 ALA 85 16.779 -0.313 2.000 625 H ALA 86 HN ALA 86 20.152 -0.720 3.463 626 HA ALA 86 HA ALA 86 19.677 -3.594 3.743 627 HB1 ALA 86 HB1 ALA 86 22.021 -3.103 3.215 628 HB2 ALA 86 HB2 ALA 86 21.862 -3.705 4.867 629 HB3 ALA 86 HB3 ALA 86 22.096 -1.982 4.577 630 H28 SXH 87 H28B SXH 87 -4.212 12.299 3.531 631 H28A SXH 87 H28A SXH 87 -5.323 13.003 4.710 632 H30 SXH 87 H30C SXH 87 -3.580 12.849 6.341 633 H30A SXH 87 H30A SXH 87 -2.008 13.605 6.075 634 H30B SXH 87 H30B SXH 87 -2.485 12.197 5.123 635 H31 SXH 87 H31A SXH 87 -2.898 14.865 2.694 636 H31A SXH 87 H31C SXH 87 -1.584 14.847 3.878 637 H31B SXH 87 H31B SXH 87 -2.077 13.362 3.043 638 H32 SXH 87 H32A SXH 87 -4.794 15.104 5.891 639 HO33 SXH 87 H33A SXH 87 -4.831 15.517 3.494 640 HN36 SXH 87 H36A SXH 87 -3.187 15.030 7.548 641 H37 SXH 87 H37A SXH 87 -0.788 16.684 7.466 642 H37A SXH 87 H37B SXH 87 -2.096 17.328 8.437 643 H38 SXH 87 H38A SXH 87 -0.579 16.165 9.843 644 H38A SXH 87 H38B SXH 87 -2.122 15.290 9.818 645 HN41 SXH 87 H41A SXH 87 -0.083 14.984 7.117 646 H42 SXH 87 H42A SXH 87 1.828 13.106 7.686 647 H42A SXH 87 H42B SXH 87 0.341 12.189 7.484 648 H43 SXH 87 H43A SXH 87 1.598 13.991 5.426 649 H43A SXH 87 H43B SXH 87 0.030 13.186 5.277 650 H2 SXH 87 H2A SXH 87 2.423 10.030 3.243 651 H2A SXH 87 H2B SXH 87 2.700 11.058 1.826 652 H3 SXH 87 H3A SXH 87 0.040 9.974 2.786 653 H3A SXH 87 H3B SXH 87 0.973 9.354 1.425 654 H4 SXH 87 H4B SXH 87 -0.175 12.138 1.611 655 H4A SXH 87 H4A SXH 87 0.712 11.461 0.244 656 H5 SXH 87 H5A SXH 87 -1.936 10.456 1.308 657 H5A SXH 87 H5B SXH 87 -1.030 9.779 -0.061 658 H6 SXH 87 H6C SXH 87 -2.812 11.289 -0.810 659 H6A SXH 87 H6A SXH 87 -1.223 11.925 -1.225 660 H6B SXH 87 H6B SXH 87 -2.108 12.594 0.144 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 17.531 -12.963 1.949 2 H2 MET 1 HT2 MET 1 17.056 -13.648 3.390 3 H3 MET 1 HT3 MET 1 18.564 -14.045 2.721 4 HA MET 1 HA MET 1 18.741 -12.445 4.585 5 HB2 MET 1 HB2 MET 1 19.282 -11.137 1.899 6 HB3 MET 1 HB1 MET 1 19.979 -10.651 3.433 7 HG2 MET 1 HG2 MET 1 21.162 -12.767 3.577 8 HG3 MET 1 HG1 MET 1 20.433 -13.279 2.056 9 HE1 MET 1 HE1 MET 1 22.000 -10.672 -0.460 10 HE2 MET 1 HE2 MET 1 20.486 -10.495 0.435 11 HE3 MET 1 HE3 MET 1 20.906 -12.048 -0.293 12 H ALA 2 HN ALA 2 17.462 -10.637 1.800 13 HA ALA 2 HA ALA 2 15.904 -9.034 3.666 14 HB1 ALA 2 HB1 ALA 2 16.566 -8.579 0.751 15 HB2 ALA 2 HB2 ALA 2 17.373 -7.822 2.124 16 HB3 ALA 2 HB3 ALA 2 15.678 -7.464 1.794 17 H THR 3 HN THR 3 13.781 -9.224 3.735 18 HA THR 3 HA THR 3 12.520 -11.263 2.124 19 HB THR 3 HB THR 3 11.469 -9.538 4.330 20 HG1 THR 3 HG1 THR 3 12.985 -11.883 4.258 21 HG21 THR 3 HG21 THR 3 9.725 -10.649 3.011 22 HG22 THR 3 HG22 THR 3 9.822 -11.360 4.623 23 HG23 THR 3 HG23 THR 3 10.530 -12.202 3.247 24 H LEU 4 HN LEU 4 11.986 -10.461 0.141 25 HA LEU 4 HA LEU 4 11.098 -7.778 -0.213 26 HB2 LEU 4 HB2 LEU 4 10.976 -10.154 -2.075 27 HB3 LEU 4 HB1 LEU 4 10.572 -8.510 -2.527 28 HG LEU 4 HG LEU 4 13.303 -9.486 -1.678 29 HD11 LEU 4 HD11 LEU 4 13.928 -9.046 -3.998 30 HD12 LEU 4 HD12 LEU 4 12.255 -8.632 -4.369 31 HD13 LEU 4 HD13 LEU 4 12.669 -10.279 -3.882 32 HD21 LEU 4 HD21 LEU 4 12.920 -7.167 -0.995 33 HD22 LEU 4 HD22 LEU 4 12.414 -6.760 -2.635 34 HD23 LEU 4 HD23 LEU 4 14.078 -7.255 -2.322 35 H LEU 5 HN LEU 5 9.011 -7.154 -0.826 36 HA LEU 5 HA LEU 5 7.032 -8.547 0.741 37 HB2 LEU 5 HB2 LEU 5 7.544 -6.053 0.881 38 HB3 LEU 5 HB1 LEU 5 6.896 -5.903 -0.722 39 HG LEU 5 HG LEU 5 5.172 -6.936 1.533 40 HD11 LEU 5 HD11 LEU 5 5.595 -4.070 0.701 41 HD12 LEU 5 HD12 LEU 5 6.090 -4.783 2.238 42 HD13 LEU 5 HD13 LEU 5 4.378 -4.647 1.838 43 HD21 LEU 5 HD21 LEU 5 3.385 -6.033 0.147 44 HD22 LEU 5 HD22 LEU 5 4.350 -7.208 -0.747 45 HD23 LEU 5 HD23 LEU 5 4.572 -5.483 -1.034 46 H THR 6 HN THR 6 5.557 -9.835 -0.163 47 HA THR 6 HA THR 6 5.247 -9.734 -3.070 48 HB THR 6 HB THR 6 4.391 -12.068 -2.882 49 HG1 THR 6 HG1 THR 6 4.932 -11.612 -0.112 50 HG21 THR 6 HG21 THR 6 6.780 -11.710 -3.339 51 HG22 THR 6 HG22 THR 6 6.538 -13.151 -2.356 52 HG23 THR 6 HG23 THR 6 7.105 -11.656 -1.608 53 H THR 7 HN THR 7 2.869 -10.755 -3.590 54 HA THR 7 HA THR 7 1.045 -8.796 -2.835 55 HB THR 7 HB THR 7 0.343 -11.556 -3.909 56 HG1 THR 7 HG1 THR 7 1.865 -10.553 -5.250 57 HG21 THR 7 HG21 THR 7 -1.059 -8.876 -4.127 58 HG22 THR 7 HG22 THR 7 -1.578 -10.219 -3.113 59 HG23 THR 7 HG23 THR 7 -1.594 -10.383 -4.870 60 H ASP 8 HN ASP 8 1.747 -11.886 -1.391 61 HA ASP 8 HA ASP 8 -0.454 -12.129 0.362 62 HB2 ASP 8 HB2 ASP 8 2.414 -13.038 0.802 63 HB3 ASP 8 HB1 ASP 8 1.092 -13.444 1.879 64 H ASP 9 HN ASP 9 2.686 -10.629 0.834 65 HA ASP 9 HA ASP 9 2.272 -9.666 3.474 66 HB2 ASP 9 HB2 ASP 9 4.093 -8.489 1.359 67 HB3 ASP 9 HB1 ASP 9 4.234 -8.282 3.096 68 H LEU 10 HN LEU 10 1.773 -8.432 0.281 69 HA LEU 10 HA LEU 10 1.269 -5.738 0.878 70 HB2 LEU 10 HB2 LEU 10 1.861 -6.756 -1.348 71 HB3 LEU 10 HB1 LEU 10 0.214 -7.328 -1.454 72 HG LEU 10 HG LEU 10 -0.571 -4.976 -1.434 73 HD11 LEU 10 HD11 LEU 10 1.062 -3.190 -1.808 74 HD12 LEU 10 HD12 LEU 10 2.377 -4.349 -1.611 75 HD13 LEU 10 HD13 LEU 10 1.317 -3.976 -0.249 76 HD21 LEU 10 HD21 LEU 10 1.447 -5.674 -3.562 77 HD22 LEU 10 HD22 LEU 10 0.163 -4.474 -3.708 78 HD23 LEU 10 HD23 LEU 10 -0.241 -6.180 -3.522 79 H ARG 11 HN ARG 11 -1.004 -8.444 0.211 80 HA ARG 11 HA ARG 11 -3.411 -7.119 0.610 81 HB2 ARG 11 HB2 ARG 11 -2.757 -9.955 1.448 82 HB3 ARG 11 HB1 ARG 11 -4.374 -9.283 1.417 83 HG2 ARG 11 HG2 ARG 11 -4.163 -8.971 -1.000 84 HG3 ARG 11 HG1 ARG 11 -2.570 -9.751 -0.950 85 HD2 ARG 11 HD2 ARG 11 -5.264 -10.912 -0.268 86 HD3 ARG 11 HD1 ARG 11 -4.217 -11.379 -1.610 87 HE ARG 11 HE ARG 11 -3.868 -12.019 1.229 88 HH11 ARG 11 HH11 ARG 11 -2.872 -12.611 -2.135 89 HH12 ARG 11 HH12 ARG 11 -1.834 -13.892 -1.706 90 HH21 ARG 11 HH21 ARG 11 -2.562 -13.753 1.745 91 HH22 ARG 11 HH22 ARG 11 -1.587 -14.536 0.552 92 H ARG 12 HN ARG 12 -1.318 -8.652 3.090 93 HA ARG 12 HA ARG 12 -2.993 -8.307 5.210 94 HB2 ARG 12 HB2 ARG 12 -1.370 -9.928 5.366 95 HB3 ARG 12 HB1 ARG 12 -0.112 -8.874 4.745 96 HG2 ARG 12 HG2 ARG 12 -0.073 -7.672 6.570 97 HG3 ARG 12 HG1 ARG 12 -1.417 -8.491 7.412 98 HD2 ARG 12 HD2 ARG 12 0.667 -9.387 8.314 99 HD3 ARG 12 HD1 ARG 12 -0.034 -10.611 7.258 100 HE ARG 12 HE ARG 12 2.160 -8.813 6.478 101 HH11 ARG 12 HH11 ARG 12 0.555 -11.989 6.344 102 HH12 ARG 12 HH12 ARG 12 1.841 -12.711 5.466 103 HH21 ARG 12 HH21 ARG 12 3.944 -9.968 5.255 104 HH22 ARG 12 HH22 ARG 12 3.669 -11.597 4.870 105 H ALA 13 HN ALA 13 -0.248 -6.347 4.069 106 HA ALA 13 HA ALA 13 -0.323 -4.515 6.208 107 HB1 ALA 13 HB1 ALA 13 1.147 -3.146 4.843 108 HB2 ALA 13 HB2 ALA 13 0.759 -4.124 3.425 109 HB3 ALA 13 HB3 ALA 13 1.631 -4.839 4.781 110 H LEU 14 HN LEU 14 -1.744 -4.396 2.940 111 HA LEU 14 HA LEU 14 -2.820 -1.847 3.159 112 HB2 LEU 14 HB2 LEU 14 -3.324 -4.249 1.452 113 HB3 LEU 14 HB1 LEU 14 -4.379 -2.861 1.340 114 HG LEU 14 HG LEU 14 -2.522 -3.131 -0.356 115 HD11 LEU 14 HD11 LEU 14 -3.794 -1.056 -0.128 116 HD12 LEU 14 HD12 LEU 14 -2.102 -0.679 -0.461 117 HD13 LEU 14 HD13 LEU 14 -2.733 -0.529 1.178 118 HD21 LEU 14 HD21 LEU 14 -0.648 -3.613 1.098 119 HD22 LEU 14 HD22 LEU 14 -0.828 -2.050 1.895 120 HD23 LEU 14 HD23 LEU 14 -0.335 -2.126 0.202 121 H VAL 15 HN VAL 15 -4.251 -5.066 3.810 122 HA VAL 15 HA VAL 15 -6.774 -3.966 4.436 123 HB VAL 15 HB VAL 15 -6.349 -6.362 3.689 124 HG11 VAL 15 HG11 VAL 15 -5.756 -6.817 6.586 125 HG12 VAL 15 HG12 VAL 15 -4.661 -7.032 5.218 126 HG13 VAL 15 HG13 VAL 15 -6.071 -8.078 5.391 127 HG21 VAL 15 HG21 VAL 15 -8.560 -5.625 4.320 128 HG22 VAL 15 HG22 VAL 15 -8.215 -5.954 6.022 129 HG23 VAL 15 HG23 VAL 15 -8.284 -7.281 4.856 130 H GLU 16 HN GLU 16 -3.963 -4.135 6.288 131 HA GLU 16 HA GLU 16 -5.248 -3.908 8.854 132 HB2 GLU 16 HB2 GLU 16 -2.463 -3.246 7.920 133 HB3 GLU 16 HB1 GLU 16 -2.997 -3.011 9.573 134 HG2 GLU 16 HG2 GLU 16 -3.413 -5.398 9.770 135 HG3 GLU 16 HG1 GLU 16 -2.895 -5.624 8.099 136 H SER 17 HN SER 17 -4.073 -1.773 6.392 137 HA SER 17 HA SER 17 -4.369 0.624 7.951 138 HB2 SER 17 HB2 SER 17 -3.755 0.271 5.020 139 HB3 SER 17 HB1 SER 17 -3.414 1.685 6.023 140 HG SER 17 HG SER 17 -2.138 -0.829 5.982 141 H ALA 18 HN ALA 18 -6.375 -1.324 6.130 142 HA ALA 18 HA ALA 18 -8.604 0.449 6.360 143 HB1 ALA 18 HB1 ALA 18 -7.721 -0.542 3.649 144 HB2 ALA 18 HB2 ALA 18 -7.768 1.158 4.151 145 HB3 ALA 18 HB3 ALA 18 -9.267 0.224 3.998 146 H GLY 19 HN GLY 19 -9.434 -1.073 7.655 147 HA2 GLY 19 HA2 GLY 19 -9.226 -3.798 6.842 148 HA3 GLY 19 HA1 GLY 19 -9.830 -3.228 8.399 149 H GLU 20 HN GLU 20 -10.565 -3.472 4.999 150 HA GLU 20 HA GLU 20 -13.351 -3.109 5.255 151 HB2 GLU 20 HB2 GLU 20 -11.736 -4.532 3.128 152 HB3 GLU 20 HB1 GLU 20 -13.470 -4.253 3.012 153 HG2 GLU 20 HG2 GLU 20 -11.356 -2.122 3.233 154 HG3 GLU 20 HG1 GLU 20 -12.212 -2.584 1.760 155 H THR 21 HN THR 21 -14.474 -4.245 6.565 156 HA THR 21 HA THR 21 -13.849 -6.675 7.723 157 HB THR 21 HB THR 21 -16.601 -5.463 7.431 158 HG1 THR 21 HG1 THR 21 -14.299 -4.715 8.901 159 HG21 THR 21 HG21 THR 21 -16.511 -7.690 8.509 160 HG22 THR 21 HG22 THR 21 -16.942 -6.430 9.666 161 HG23 THR 21 HG23 THR 21 -15.303 -7.086 9.646 162 H ASP 22 HN ASP 22 -13.346 -8.155 6.147 163 HA ASP 22 HA ASP 22 -13.546 -9.949 4.827 164 HB2 ASP 22 HB2 ASP 22 -15.377 -10.533 6.525 165 HB3 ASP 22 HB1 ASP 22 -16.535 -9.936 5.343 166 H GLY 23 HN GLY 23 -14.007 -7.219 3.931 167 HA2 GLY 23 HA2 GLY 23 -15.777 -7.368 1.672 168 HA3 GLY 23 HA1 GLY 23 -14.748 -6.003 2.118 169 H THR 24 HN THR 24 -15.191 -8.422 -0.037 170 HA THR 24 HA THR 24 -12.421 -9.076 -0.427 171 HB THR 24 HB THR 24 -14.670 -9.884 -2.274 172 HG1 THR 24 HG1 THR 24 -14.535 -10.300 0.417 173 HG21 THR 24 HG21 THR 24 -12.356 -10.530 -2.805 174 HG22 THR 24 HG22 THR 24 -13.325 -11.949 -2.359 175 HG23 THR 24 HG23 THR 24 -12.210 -11.218 -1.189 176 H ASP 25 HN ASP 25 -13.059 -6.355 -0.727 177 HA ASP 25 HA ASP 25 -12.739 -5.764 -3.593 178 HB2 ASP 25 HB2 ASP 25 -12.903 -3.859 -1.233 179 HB3 ASP 25 HB1 ASP 25 -12.865 -3.399 -2.927 180 H LEU 26 HN LEU 26 -11.085 -6.144 -0.677 181 HA LEU 26 HA LEU 26 -8.592 -5.081 -1.808 182 HB2 LEU 26 HB2 LEU 26 -9.510 -3.613 -0.063 183 HB3 LEU 26 HB1 LEU 26 -9.563 -4.964 1.045 184 HG LEU 26 HG LEU 26 -7.089 -5.087 0.952 185 HD11 LEU 26 HD11 LEU 26 -5.850 -3.211 0.012 186 HD12 LEU 26 HD12 LEU 26 -7.348 -2.530 -0.618 187 HD13 LEU 26 HD13 LEU 26 -6.750 -4.071 -1.238 188 HD21 LEU 26 HD21 LEU 26 -8.231 -3.902 2.735 189 HD22 LEU 26 HD22 LEU 26 -8.255 -2.432 1.759 190 HD23 LEU 26 HD23 LEU 26 -6.720 -3.100 2.314 191 H SER 27 HN SER 27 -10.133 -7.364 0.486 192 HA SER 27 HA SER 27 -7.789 -8.868 0.890 193 HB2 SER 27 HB2 SER 27 -10.671 -9.634 1.340 194 HB3 SER 27 HB1 SER 27 -9.252 -10.362 2.102 195 HG SER 27 HG SER 27 -10.062 -8.898 3.545 196 H GLY 28 HN GLY 28 -7.036 -9.372 -1.143 197 HA2 GLY 28 HA2 GLY 28 -7.150 -11.767 -2.199 198 HA3 GLY 28 HA1 GLY 28 -8.645 -11.104 -2.864 199 H ASP 29 HN ASP 29 -8.563 -9.501 -4.384 200 HA ASP 29 HA ASP 29 -5.894 -8.871 -5.417 201 HB2 ASP 29 HB2 ASP 29 -6.739 -8.803 -7.695 202 HB3 ASP 29 HB1 ASP 29 -7.163 -10.359 -7.003 203 H PHE 30 HN PHE 30 -5.799 -6.795 -6.538 204 HA PHE 30 HA PHE 30 -7.534 -4.668 -6.174 205 HB2 PHE 30 HB2 PHE 30 -6.813 -3.569 -4.100 206 HB3 PHE 30 HB1 PHE 30 -7.418 -5.175 -3.723 207 HD1 PHE 30 HD1 PHE 30 -5.663 -7.035 -3.334 208 HD2 PHE 30 HD2 PHE 30 -4.699 -2.889 -3.411 209 HE1 PHE 30 HE1 PHE 30 -3.558 -7.493 -2.130 210 HE2 PHE 30 HE2 PHE 30 -2.611 -3.357 -2.210 211 HZ PHE 30 HZ PHE 30 -2.048 -5.663 -1.573 212 H LEU 31 HN LEU 31 -4.366 -5.951 -6.215 213 HA LEU 31 HA LEU 31 -2.589 -3.871 -6.422 214 HB2 LEU 31 HB2 LEU 31 -2.053 -6.269 -6.227 215 HB3 LEU 31 HB1 LEU 31 -2.567 -6.502 -7.879 216 HG LEU 31 HG LEU 31 -0.702 -5.042 -8.631 217 HD11 LEU 31 HD11 LEU 31 -0.414 -3.742 -6.608 218 HD12 LEU 31 HD12 LEU 31 1.092 -4.542 -7.064 219 HD13 LEU 31 HD13 LEU 31 0.114 -5.182 -5.741 220 HD21 LEU 31 HD21 LEU 31 1.059 -6.694 -8.223 221 HD22 LEU 31 HD22 LEU 31 -0.476 -7.468 -8.628 222 HD23 LEU 31 HD23 LEU 31 0.075 -7.427 -6.955 223 H ASP 32 HN ASP 32 -4.830 -4.999 -8.793 224 HA ASP 32 HA ASP 32 -3.506 -3.613 -10.993 225 HB2 ASP 32 HB2 ASP 32 -4.318 -5.871 -11.387 226 HB3 ASP 32 HB1 ASP 32 -5.942 -5.399 -10.917 227 H LEU 33 HN LEU 33 -6.117 -3.125 -8.818 228 HA LEU 33 HA LEU 33 -7.354 -1.077 -10.491 229 HB2 LEU 33 HB2 LEU 33 -8.086 -2.053 -7.723 230 HB3 LEU 33 HB1 LEU 33 -9.008 -0.910 -8.673 231 HG LEU 33 HG LEU 33 -8.576 -3.826 -9.319 232 HD11 LEU 33 HD11 LEU 33 -10.100 -3.475 -7.479 233 HD12 LEU 33 HD12 LEU 33 -10.976 -4.018 -8.909 234 HD13 LEU 33 HD13 LEU 33 -11.024 -2.317 -8.436 235 HD21 LEU 33 HD21 LEU 33 -10.192 -1.739 -10.788 236 HD22 LEU 33 HD22 LEU 33 -10.166 -3.462 -11.153 237 HD23 LEU 33 HD23 LEU 33 -8.705 -2.492 -11.365 238 H ARG 34 HN ARG 34 -7.580 1.143 -9.597 239 HA ARG 34 HA ARG 34 -5.123 1.921 -8.320 240 HB2 ARG 34 HB2 ARG 34 -7.509 3.567 -9.181 241 HB3 ARG 34 HB1 ARG 34 -6.058 4.238 -8.466 242 HG2 ARG 34 HG2 ARG 34 -5.838 4.607 -10.774 243 HG3 ARG 34 HG1 ARG 34 -4.817 3.217 -10.396 244 HD2 ARG 34 HD2 ARG 34 -6.454 1.698 -11.260 245 HD3 ARG 34 HD1 ARG 34 -7.593 3.018 -11.521 246 HE ARG 34 HE ARG 34 -5.324 3.683 -12.901 247 HH11 ARG 34 HH11 ARG 34 -7.663 1.028 -12.978 248 HH12 ARG 34 HH12 ARG 34 -7.581 0.749 -14.645 249 HH21 ARG 34 HH21 ARG 34 -5.197 3.326 -15.279 250 HH22 ARG 34 HH22 ARG 34 -6.143 2.117 -15.999 251 H PHE 35 HN PHE 35 -5.065 3.266 -6.400 252 HA PHE 35 HA PHE 35 -6.438 2.234 -4.203 253 HB2 PHE 35 HB2 PHE 35 -5.064 4.912 -4.510 254 HB3 PHE 35 HB1 PHE 35 -5.714 4.335 -2.981 255 HD1 PHE 35 HD1 PHE 35 -4.853 2.010 -2.192 256 HD2 PHE 35 HD2 PHE 35 -2.874 4.439 -5.064 257 HE1 PHE 35 HE1 PHE 35 -2.748 0.828 -1.728 258 HE2 PHE 35 HE2 PHE 35 -0.765 3.263 -4.611 259 HZ PHE 35 HZ PHE 35 -0.696 1.456 -2.942 260 H GLU 36 HN GLU 36 -7.151 5.046 -6.145 261 HA GLU 36 HA GLU 36 -9.402 6.005 -4.836 262 HB2 GLU 36 HB2 GLU 36 -10.010 7.023 -7.026 263 HB3 GLU 36 HB1 GLU 36 -8.337 7.288 -6.561 264 HG2 GLU 36 HG2 GLU 36 -7.716 5.371 -8.051 265 HG3 GLU 36 HG1 GLU 36 -9.383 5.364 -8.619 266 H ASP 37 HN ASP 37 -9.115 3.128 -6.770 267 HA ASP 37 HA ASP 37 -11.988 2.885 -7.157 268 HB2 ASP 37 HB2 ASP 37 -9.751 0.952 -7.811 269 HB3 ASP 37 HB1 ASP 37 -11.445 0.681 -8.186 270 H ILE 38 HN ILE 38 -9.447 1.601 -5.158 271 HA ILE 38 HA ILE 38 -11.321 -0.272 -3.982 272 HB ILE 38 HB ILE 38 -9.363 -1.175 -2.692 273 HG12 ILE 38 HG12 ILE 38 -7.798 0.733 -4.456 274 HG13 ILE 38 HG11 ILE 38 -7.962 0.846 -2.710 275 HG21 ILE 38 HG21 ILE 38 -10.112 -2.224 -4.744 276 HG22 ILE 38 HG22 ILE 38 -8.351 -2.299 -4.635 277 HG23 ILE 38 HG23 ILE 38 -9.121 -1.117 -5.694 278 HD11 ILE 38 HD11 ILE 38 -6.738 -1.257 -2.461 279 HD12 ILE 38 HD12 ILE 38 -5.796 -0.055 -3.344 280 HD13 ILE 38 HD13 ILE 38 -6.581 -1.371 -4.213 281 H GLY 39 HN GLY 39 -11.203 2.683 -3.564 282 HA2 GLY 39 HA2 GLY 39 -12.164 4.001 -1.949 283 HA3 GLY 39 HA1 GLY 39 -12.374 2.555 -0.983 284 H TYR 40 HN TYR 40 -9.298 3.849 -2.125 285 HA TYR 40 HA TYR 40 -8.556 4.184 0.660 286 HB2 TYR 40 HB2 TYR 40 -7.012 3.724 -1.821 287 HB3 TYR 40 HB1 TYR 40 -6.248 4.663 -0.544 288 HD1 TYR 40 HD1 TYR 40 -8.061 1.460 -1.097 289 HD2 TYR 40 HD2 TYR 40 -5.159 3.592 1.144 290 HE1 TYR 40 HE1 TYR 40 -7.456 -0.604 0.075 291 HE2 TYR 40 HE2 TYR 40 -4.535 1.560 2.319 292 HH TYR 40 HH TYR 40 -5.577 -0.683 2.872 293 H ASP 41 HN ASP 41 -8.777 5.997 1.533 294 HA ASP 41 HA ASP 41 -8.720 8.485 0.041 295 HB2 ASP 41 HB2 ASP 41 -8.894 7.940 3.031 296 HB3 ASP 41 HB1 ASP 41 -9.001 9.529 2.292 297 H SER 42 HN SER 42 -7.122 10.121 0.558 298 HA SER 42 HA SER 42 -4.535 9.213 0.538 299 HB2 SER 42 HB2 SER 42 -4.193 11.760 1.403 300 HB3 SER 42 HB1 SER 42 -4.556 11.319 -0.265 301 H LEU 43 HN LEU 43 -6.425 10.181 3.317 302 HA LEU 43 HA LEU 43 -4.622 9.995 5.391 303 HB2 LEU 43 HB2 LEU 43 -6.971 10.658 5.603 304 HB3 LEU 43 HB1 LEU 43 -7.462 9.006 5.300 305 HG LEU 43 HG LEU 43 -6.305 8.326 7.394 306 HD11 LEU 43 HD11 LEU 43 -4.698 10.140 7.552 307 HD12 LEU 43 HD12 LEU 43 -5.692 10.055 9.009 308 HD13 LEU 43 HD13 LEU 43 -6.007 11.297 7.797 309 HD21 LEU 43 HD21 LEU 43 -8.390 10.456 7.651 310 HD22 LEU 43 HD22 LEU 43 -7.990 9.250 8.882 311 HD23 LEU 43 HD23 LEU 43 -8.684 8.746 7.333 312 H ALA 44 HN ALA 44 -6.609 7.355 4.061 313 HA ALA 44 HA ALA 44 -5.457 5.309 5.659 314 HB1 ALA 44 HB1 ALA 44 -7.668 5.090 4.635 315 HB2 ALA 44 HB2 ALA 44 -6.608 3.754 4.180 316 HB3 ALA 44 HB3 ALA 44 -6.925 5.059 3.035 317 H LEU 45 HN LEU 45 -4.687 6.667 2.574 318 HA LEU 45 HA LEU 45 -2.901 4.679 1.726 319 HB2 LEU 45 HB2 LEU 45 -3.896 6.321 0.222 320 HB3 LEU 45 HB1 LEU 45 -3.018 7.605 1.024 321 HG LEU 45 HG LEU 45 -0.906 6.737 0.175 322 HD11 LEU 45 HD11 LEU 45 -1.467 4.344 0.168 323 HD12 LEU 45 HD12 LEU 45 -0.867 4.868 -1.404 324 HD13 LEU 45 HD13 LEU 45 -2.594 4.616 -1.162 325 HD21 LEU 45 HD21 LEU 45 -3.024 6.931 -1.931 326 HD22 LEU 45 HD22 LEU 45 -1.291 7.177 -2.181 327 HD23 LEU 45 HD23 LEU 45 -2.215 8.298 -1.165 328 H MET 46 HN MET 46 -2.384 7.699 3.569 329 HA MET 46 HA MET 46 0.413 7.139 3.759 330 HB2 MET 46 HB2 MET 46 0.660 8.968 5.323 331 HB3 MET 46 HB1 MET 46 -0.387 9.480 4.016 332 HG2 MET 46 HG2 MET 46 -2.285 9.435 5.379 333 HG3 MET 46 HG1 MET 46 -1.474 8.516 6.642 334 HE1 MET 46 HE1 MET 46 -3.151 11.108 7.318 335 HE2 MET 46 HE2 MET 46 -2.058 11.943 8.420 336 HE3 MET 46 HE3 MET 46 -2.254 10.195 8.530 337 H GLU 47 HN GLU 47 -2.366 6.244 5.646 338 HA GLU 47 HA GLU 47 -1.088 5.257 7.947 339 HB2 GLU 47 HB2 GLU 47 -3.512 4.208 6.472 340 HB3 GLU 47 HB1 GLU 47 -3.020 3.671 8.071 341 HG2 GLU 47 HG2 GLU 47 -3.776 6.482 7.349 342 HG3 GLU 47 HG1 GLU 47 -4.851 5.304 8.097 343 H THR 48 HN THR 48 -1.773 3.822 4.847 344 HA THR 48 HA THR 48 -0.701 1.267 5.222 345 HB THR 48 HB THR 48 -0.771 2.924 2.675 346 HG1 THR 48 HG1 THR 48 -2.862 2.755 3.682 347 HG21 THR 48 HG21 THR 48 0.575 0.876 2.492 348 HG22 THR 48 HG22 THR 48 -0.910 0.737 1.551 349 HG23 THR 48 HG23 THR 48 -0.778 -0.070 3.112 350 H ALA 49 HN ALA 49 0.698 4.166 3.727 351 HA ALA 49 HA ALA 49 3.236 3.214 3.178 352 HB1 ALA 49 HB1 ALA 49 2.300 5.275 2.251 353 HB2 ALA 49 HB2 ALA 49 3.895 5.533 2.953 354 HB3 ALA 49 HB3 ALA 49 2.452 6.052 3.827 355 H ALA 50 HN ALA 50 2.218 5.101 6.047 356 HA ALA 50 HA ALA 50 4.748 5.166 7.263 357 HB1 ALA 50 HB1 ALA 50 2.914 6.676 7.876 358 HB2 ALA 50 HB2 ALA 50 3.590 5.857 9.284 359 HB3 ALA 50 HB3 ALA 50 2.053 5.320 8.605 360 H ARG 51 HN ARG 51 2.126 2.839 7.518 361 HA ARG 51 HA ARG 51 3.257 1.362 9.648 362 HB2 ARG 51 HB2 ARG 51 0.864 1.228 8.999 363 HB3 ARG 51 HB1 ARG 51 1.328 0.423 7.510 364 HG2 ARG 51 HG2 ARG 51 2.173 -1.473 8.765 365 HG3 ARG 51 HG1 ARG 51 1.819 -0.642 10.282 366 HD2 ARG 51 HD2 ARG 51 -0.193 -1.507 8.205 367 HD3 ARG 51 HD1 ARG 51 0.087 -2.276 9.767 368 HE ARG 51 HE ARG 51 -0.845 0.500 9.508 369 HH11 ARG 51 HH11 ARG 51 -1.230 -2.754 10.959 370 HH12 ARG 51 HH12 ARG 51 -2.421 -2.261 12.048 371 HH21 ARG 51 HH21 ARG 51 -2.550 1.142 10.960 372 HH22 ARG 51 HH22 ARG 51 -3.287 0.011 11.981 373 H LEU 52 HN LEU 52 3.532 1.196 6.161 374 HA LEU 52 HA LEU 52 5.060 -1.193 6.091 375 HB2 LEU 52 HB2 LEU 52 4.754 1.049 4.108 376 HB3 LEU 52 HB1 LEU 52 5.691 -0.396 3.785 377 HG LEU 52 HG LEU 52 2.752 -0.436 4.453 378 HD11 LEU 52 HD11 LEU 52 3.133 0.740 2.342 379 HD12 LEU 52 HD12 LEU 52 2.412 -0.849 2.064 380 HD13 LEU 52 HD13 LEU 52 4.132 -0.599 1.775 381 HD21 LEU 52 HD21 LEU 52 2.881 -2.708 3.577 382 HD22 LEU 52 HD22 LEU 52 3.949 -2.482 4.962 383 HD23 LEU 52 HD23 LEU 52 4.618 -2.514 3.331 384 H GLU 53 HN GLU 53 5.909 2.225 6.144 385 HA GLU 53 HA GLU 53 8.670 1.970 5.850 386 HB2 GLU 53 HB2 GLU 53 7.118 4.026 7.395 387 HB3 GLU 53 HB1 GLU 53 8.828 4.145 7.010 388 HG2 GLU 53 HG2 GLU 53 8.271 4.094 4.630 389 HG3 GLU 53 HG1 GLU 53 6.559 4.052 5.059 390 H SER 54 HN SER 54 6.808 2.249 8.829 391 HA SER 54 HA SER 54 8.991 1.921 10.530 392 HB2 SER 54 HB2 SER 54 7.157 1.367 12.241 393 HB3 SER 54 HB1 SER 54 7.079 2.942 11.447 394 HG SER 54 HG SER 54 5.432 2.276 10.208 395 H ARG 55 HN ARG 55 6.676 -0.475 9.318 396 HA ARG 55 HA ARG 55 7.712 -2.641 10.813 397 HB2 ARG 55 HB2 ARG 55 5.454 -2.646 9.889 398 HB3 ARG 55 HB1 ARG 55 6.108 -2.693 8.261 399 HG2 ARG 55 HG2 ARG 55 7.034 -4.902 8.668 400 HG3 ARG 55 HG1 ARG 55 6.472 -4.844 10.339 401 HD2 ARG 55 HD2 ARG 55 4.721 -4.766 7.880 402 HD3 ARG 55 HD1 ARG 55 4.961 -6.161 8.935 403 HE ARG 55 HE ARG 55 4.148 -4.117 10.571 404 HH11 ARG 55 HH11 ARG 55 2.659 -5.899 7.807 405 HH12 ARG 55 HH12 ARG 55 1.076 -5.612 8.391 406 HH21 ARG 55 HH21 ARG 55 1.956 -3.845 11.297 407 HH22 ARG 55 HH22 ARG 55 0.662 -4.432 10.363 408 H TYR 56 HN TYR 56 8.320 -1.688 7.419 409 HA TYR 56 HA TYR 56 10.111 -3.969 7.177 410 HB2 TYR 56 HB2 TYR 56 9.001 -2.087 5.104 411 HB3 TYR 56 HB1 TYR 56 10.193 -3.331 4.742 412 HD1 TYR 56 HD1 TYR 56 6.718 -2.740 5.855 413 HD2 TYR 56 HD2 TYR 56 9.566 -5.614 4.557 414 HE1 TYR 56 HE1 TYR 56 4.921 -4.381 5.593 415 HE2 TYR 56 HE2 TYR 56 7.779 -7.275 4.290 416 HH TYR 56 HH TYR 56 5.639 -7.728 5.012 417 H GLY 57 HN GLY 57 10.445 -0.762 7.997 418 HA2 GLY 57 HA2 GLY 57 12.368 0.443 8.402 419 HA3 GLY 57 HA1 GLY 57 13.300 -0.953 7.861 420 H VAL 58 HN VAL 58 10.929 1.148 6.327 421 HA VAL 58 HA VAL 58 12.889 1.719 4.244 422 HB VAL 58 HB VAL 58 11.159 1.667 2.480 423 HG11 VAL 58 HG11 VAL 58 11.351 -0.915 4.013 424 HG12 VAL 58 HG12 VAL 58 12.487 -0.324 2.800 425 HG13 VAL 58 HG13 VAL 58 10.842 -0.758 2.334 426 HG21 VAL 58 HG21 VAL 58 8.957 0.656 2.901 427 HG22 VAL 58 HG22 VAL 58 9.179 2.142 3.826 428 HG23 VAL 58 HG23 VAL 58 9.331 0.575 4.624 429 H SER 59 HN SER 59 11.992 3.622 2.792 430 HA SER 59 HA SER 59 10.790 5.641 4.547 431 HB2 SER 59 HB2 SER 59 13.163 6.097 2.719 432 HB3 SER 59 HB1 SER 59 12.471 7.236 3.873 433 HG SER 59 HG SER 59 13.710 6.420 5.321 434 H ILE 60 HN ILE 60 8.975 6.227 3.530 435 HA ILE 60 HA ILE 60 8.908 6.193 0.596 436 HB ILE 60 HB ILE 60 6.553 6.216 2.522 437 HG12 ILE 60 HG12 ILE 60 7.707 3.923 0.907 438 HG13 ILE 60 HG11 ILE 60 7.843 4.111 2.650 439 HG21 ILE 60 HG21 ILE 60 6.675 5.772 -0.469 440 HG22 ILE 60 HG22 ILE 60 6.086 7.224 0.329 441 HG23 ILE 60 HG23 ILE 60 5.219 5.697 0.527 442 HD11 ILE 60 HD11 ILE 60 5.280 3.726 1.118 443 HD12 ILE 60 HD12 ILE 60 5.430 3.878 2.868 444 HD13 ILE 60 HD13 ILE 60 6.137 2.491 2.038 445 HA PRO 61 HA PRO 61 9.070 10.670 1.308 446 HB2 PRO 61 HB2 PRO 61 9.179 10.743 -1.637 447 HB3 PRO 61 HB1 PRO 61 10.324 11.385 -0.456 448 HG2 PRO 61 HG2 PRO 61 10.908 9.226 -1.932 449 HG3 PRO 61 HG1 PRO 61 11.447 9.372 -0.250 450 HD2 PRO 61 HD2 PRO 61 9.139 7.821 -1.371 451 HD3 PRO 61 HD1 PRO 61 10.322 7.339 -0.134 452 H ASP 62 HN ASP 62 7.723 12.414 0.813 453 HA ASP 62 HA ASP 62 4.959 11.999 0.671 454 HB2 ASP 62 HB2 ASP 62 5.818 13.982 1.687 455 HB3 ASP 62 HB1 ASP 62 6.676 14.439 0.225 456 H ASP 63 HN ASP 63 7.289 12.750 -1.767 457 HA ASP 63 HA ASP 63 5.510 13.419 -3.882 458 HB2 ASP 63 HB2 ASP 63 8.361 12.406 -3.968 459 HB3 ASP 63 HB1 ASP 63 7.479 13.025 -5.355 460 H VAL 64 HN VAL 64 7.037 10.488 -2.795 461 HA VAL 64 HA VAL 64 6.151 8.986 -5.069 462 HB VAL 64 HB VAL 64 7.376 7.994 -2.482 463 HG11 VAL 64 HG11 VAL 64 6.952 6.609 -5.134 464 HG12 VAL 64 HG12 VAL 64 6.088 6.266 -3.635 465 HG13 VAL 64 HG13 VAL 64 7.817 5.941 -3.752 466 HG21 VAL 64 HG21 VAL 64 8.878 9.465 -3.724 467 HG22 VAL 64 HG22 VAL 64 8.617 8.517 -5.186 468 HG23 VAL 64 HG23 VAL 64 9.440 7.795 -3.805 469 H ALA 65 HN ALA 65 5.254 9.215 -1.651 470 HA ALA 65 HA ALA 65 3.306 7.208 -1.632 471 HB1 ALA 65 HB1 ALA 65 2.481 8.240 0.404 472 HB2 ALA 65 HB2 ALA 65 3.377 9.713 0.042 473 HB3 ALA 65 HB3 ALA 65 4.244 8.219 0.400 474 H GLY 66 HN GLY 66 3.121 10.525 -2.734 475 HA2 GLY 66 HA2 GLY 66 0.228 10.289 -3.003 476 HA3 GLY 66 HA1 GLY 66 1.179 11.747 -3.240 477 H ARG 67 HN ARG 67 2.875 9.517 -4.911 478 HA ARG 67 HA ARG 67 1.495 10.331 -7.381 479 HB2 ARG 67 HB2 ARG 67 3.528 9.962 -8.578 480 HB3 ARG 67 HB1 ARG 67 3.938 10.868 -7.129 481 HG2 ARG 67 HG2 ARG 67 4.675 8.762 -6.070 482 HG3 ARG 67 HG1 ARG 67 4.321 7.916 -7.567 483 HD2 ARG 67 HD2 ARG 67 6.330 10.129 -7.204 484 HD3 ARG 67 HD1 ARG 67 6.690 8.417 -7.394 485 HE ARG 67 HE ARG 67 5.536 10.168 -9.447 486 HH11 ARG 67 HH11 ARG 67 7.291 7.177 -8.570 487 HH12 ARG 67 HH12 ARG 67 7.792 6.862 -10.148 488 HH21 ARG 67 HH21 ARG 67 6.286 9.699 -11.636 489 HH22 ARG 67 HH22 ARG 67 7.243 8.324 -11.913 490 H VAL 68 HN VAL 68 1.694 7.697 -5.393 491 HA VAL 68 HA VAL 68 1.654 5.782 -7.550 492 HB VAL 68 HB VAL 68 1.550 4.016 -5.766 493 HG11 VAL 68 HG11 VAL 68 3.680 4.720 -6.668 494 HG12 VAL 68 HG12 VAL 68 3.840 4.336 -4.955 495 HG13 VAL 68 HG13 VAL 68 3.782 6.020 -5.480 496 HG21 VAL 68 HG21 VAL 68 1.860 6.338 -3.853 497 HG22 VAL 68 HG22 VAL 68 2.031 4.633 -3.452 498 HG23 VAL 68 HG23 VAL 68 0.456 5.261 -3.957 499 H ASP 69 HN ASP 69 -0.085 5.586 -8.653 500 HA ASP 69 HA ASP 69 -2.711 6.097 -7.504 501 HB2 ASP 69 HB2 ASP 69 -1.862 5.345 -10.317 502 HB3 ASP 69 HB1 ASP 69 -3.526 5.623 -9.838 503 H THR 70 HN THR 70 -0.990 3.416 -9.041 504 HA THR 70 HA THR 70 -3.059 1.624 -8.063 505 HB THR 70 HB THR 70 -1.647 -0.008 -9.528 506 HG1 THR 70 HG1 THR 70 -0.994 2.185 -11.107 507 HG21 THR 70 HG21 THR 70 -2.894 0.631 -11.534 508 HG22 THR 70 HG22 THR 70 -3.267 2.203 -10.814 509 HG23 THR 70 HG23 THR 70 -3.919 0.725 -10.102 510 HA PRO 71 HA PRO 71 -0.519 0.172 -4.720 511 HB2 PRO 71 HB2 PRO 71 -1.406 -2.546 -5.569 512 HB3 PRO 71 HB1 PRO 71 -1.483 -1.783 -3.976 513 HG2 PRO 71 HG2 PRO 71 -3.671 -2.016 -5.440 514 HG3 PRO 71 HG1 PRO 71 -3.358 -0.528 -4.523 515 HD2 PRO 71 HD2 PRO 71 -3.037 -1.051 -7.449 516 HD3 PRO 71 HD1 PRO 71 -3.649 0.396 -6.623 517 H ARG 72 HN ARG 72 -0.296 -1.379 -7.874 518 HA ARG 72 HA ARG 72 2.040 -2.817 -7.558 519 HB2 ARG 72 HB2 ARG 72 2.355 -2.604 -10.013 520 HB3 ARG 72 HB1 ARG 72 0.716 -3.046 -9.555 521 HG2 ARG 72 HG2 ARG 72 -0.025 -0.769 -9.941 522 HG3 ARG 72 HG1 ARG 72 1.620 -0.293 -10.355 523 HD2 ARG 72 HD2 ARG 72 0.186 -0.685 -12.329 524 HD3 ARG 72 HD1 ARG 72 1.601 -1.730 -12.284 525 HE ARG 72 HE ARG 72 0.099 -3.475 -11.387 526 HH11 ARG 72 HH11 ARG 72 -1.379 -0.878 -13.380 527 HH12 ARG 72 HH12 ARG 72 -2.675 -1.861 -13.857 528 HH21 ARG 72 HH21 ARG 72 -1.578 -4.730 -12.082 529 HH22 ARG 72 HH22 ARG 72 -2.834 -4.137 -13.106 530 H GLU 73 HN GLU 73 1.694 0.627 -8.244 531 HA GLU 73 HA GLU 73 4.435 1.169 -8.699 532 HB2 GLU 73 HB2 GLU 73 2.307 3.024 -7.618 533 HB3 GLU 73 HB1 GLU 73 3.809 3.499 -8.397 534 HG2 GLU 73 HG2 GLU 73 1.522 2.047 -9.705 535 HG3 GLU 73 HG1 GLU 73 1.882 3.761 -9.861 536 H LEU 74 HN LEU 74 2.383 1.167 -5.885 537 HA LEU 74 HA LEU 74 4.258 2.208 -4.027 538 HB2 LEU 74 HB2 LEU 74 1.757 2.236 -3.774 539 HB3 LEU 74 HB1 LEU 74 1.789 0.509 -3.540 540 HG LEU 74 HG LEU 74 1.435 1.874 -1.472 541 HD11 LEU 74 HD11 LEU 74 3.878 0.127 -1.442 542 HD12 LEU 74 HD12 LEU 74 2.203 -0.401 -1.264 543 HD13 LEU 74 HD13 LEU 74 2.942 0.623 -0.032 544 HD21 LEU 74 HD21 LEU 74 3.368 2.981 -0.439 545 HD22 LEU 74 HD22 LEU 74 2.918 3.732 -1.969 546 HD23 LEU 74 HD23 LEU 74 4.315 2.659 -1.891 547 H LEU 75 HN LEU 75 3.241 -1.042 -4.938 548 HA LEU 75 HA LEU 75 4.744 -2.617 -3.217 549 HB2 LEU 75 HB2 LEU 75 3.034 -3.510 -4.707 550 HB3 LEU 75 HB1 LEU 75 3.987 -3.074 -6.105 551 HG LEU 75 HG LEU 75 5.689 -4.746 -5.433 552 HD11 LEU 75 HD11 LEU 75 3.675 -5.495 -3.324 553 HD12 LEU 75 HD12 LEU 75 5.264 -4.779 -3.046 554 HD13 LEU 75 HD13 LEU 75 5.133 -6.398 -3.732 555 HD21 LEU 75 HD21 LEU 75 3.961 -5.321 -7.046 556 HD22 LEU 75 HD22 LEU 75 2.887 -5.811 -5.736 557 HD23 LEU 75 HD23 LEU 75 4.370 -6.713 -6.044 558 H ASP 76 HN ASP 76 5.588 -1.423 -6.446 559 HA ASP 76 HA ASP 76 8.189 -2.409 -6.568 560 HB2 ASP 76 HB2 ASP 76 7.081 -1.515 -8.544 561 HB3 ASP 76 HB1 ASP 76 7.107 0.106 -7.850 562 H LEU 77 HN LEU 77 6.964 0.571 -5.159 563 HA LEU 77 HA LEU 77 9.445 1.779 -4.659 564 HB2 LEU 77 HB2 LEU 77 7.311 2.992 -4.618 565 HB3 LEU 77 HB1 LEU 77 6.786 2.077 -3.231 566 HG LEU 77 HG LEU 77 7.460 4.456 -2.803 567 HD11 LEU 77 HD11 LEU 77 7.352 2.909 -0.949 568 HD12 LEU 77 HD12 LEU 77 8.689 4.039 -0.740 569 HD13 LEU 77 HD13 LEU 77 9.006 2.385 -1.269 570 HD21 LEU 77 HD21 LEU 77 9.840 4.971 -2.634 571 HD22 LEU 77 HD22 LEU 77 9.349 4.590 -4.286 572 HD23 LEU 77 HD23 LEU 77 10.220 3.394 -3.327 573 H ILE 78 HN ILE 78 7.451 -0.372 -2.687 574 HA ILE 78 HA ILE 78 9.051 -0.244 -0.360 575 HB ILE 78 HB ILE 78 7.260 -2.513 -1.283 576 HG12 ILE 78 HG12 ILE 78 6.026 -0.406 -1.077 577 HG13 ILE 78 HG11 ILE 78 5.569 -1.515 0.209 578 HG21 ILE 78 HG21 ILE 78 8.821 -3.251 0.435 579 HG22 ILE 78 HG22 ILE 78 7.185 -3.169 1.087 580 HG23 ILE 78 HG23 ILE 78 8.351 -1.898 1.470 581 HD11 ILE 78 HD11 ILE 78 6.998 -0.291 1.770 582 HD12 ILE 78 HD12 ILE 78 5.793 0.761 1.029 583 HD13 ILE 78 HD13 ILE 78 7.464 0.813 0.475 584 H ASN 79 HN ASN 79 8.858 -2.721 -2.896 585 HA ASN 79 HA ASN 79 11.035 -4.232 -1.944 586 HB2 ASN 79 HB2 ASN 79 9.815 -4.094 -4.699 587 HB3 ASN 79 HB1 ASN 79 11.092 -5.223 -4.261 588 HD21 ASN 79 HD21 ASN 79 8.315 -5.648 -5.082 589 HD22 ASN 79 HD22 ASN 79 7.606 -6.617 -3.823 590 H GLY 80 HN GLY 80 10.905 -1.437 -3.998 591 HA2 GLY 80 HA2 GLY 80 13.574 -1.550 -4.946 592 HA3 GLY 80 HA1 GLY 80 12.554 -0.115 -4.881 593 H ALA 81 HN ALA 81 12.052 -0.060 -2.135 594 HA ALA 81 HA ALA 81 14.468 1.088 -1.172 595 HB1 ALA 81 HB1 ALA 81 12.265 1.979 -0.548 596 HB2 ALA 81 HB2 ALA 81 13.206 1.540 0.874 597 HB3 ALA 81 HB3 ALA 81 11.906 0.487 0.318 598 H LEU 82 HN LEU 82 12.825 -1.960 -0.709 599 HA LEU 82 HA LEU 82 14.497 -2.958 1.364 600 HB2 LEU 82 HB2 LEU 82 12.837 -4.416 -0.694 601 HB3 LEU 82 HB1 LEU 82 13.639 -5.202 0.650 602 HG LEU 82 HG LEU 82 11.459 -3.129 0.910 603 HD11 LEU 82 HD11 LEU 82 10.621 -5.204 -0.036 604 HD12 LEU 82 HD12 LEU 82 10.061 -4.999 1.623 605 HD13 LEU 82 HD13 LEU 82 11.375 -6.122 1.265 606 HD21 LEU 82 HD21 LEU 82 12.997 -3.131 2.804 607 HD22 LEU 82 HD22 LEU 82 12.809 -4.874 2.974 608 HD23 LEU 82 HD23 LEU 82 11.435 -3.806 3.267 609 H ALA 83 HN ALA 83 14.702 -2.973 -2.128 610 HA ALA 83 HA ALA 83 16.905 -4.684 -2.424 611 HB1 ALA 83 HB1 ALA 83 17.195 -3.657 -4.617 612 HB2 ALA 83 HB2 ALA 83 16.128 -2.333 -4.146 613 HB3 ALA 83 HB3 ALA 83 15.488 -3.970 -4.294 614 H GLU 84 HN GLU 84 16.669 -1.432 -1.357 615 HA GLU 84 HA GLU 84 19.454 -0.776 -1.724 616 HB2 GLU 84 HB2 GLU 84 17.572 0.907 -1.747 617 HB3 GLU 84 HB1 GLU 84 17.355 0.610 -0.033 618 HG2 GLU 84 HG2 GLU 84 18.597 2.618 -0.261 619 HG3 GLU 84 HG1 GLU 84 19.708 1.379 0.314 620 H ALA 85 HN ALA 85 17.528 -2.420 0.577 621 HA ALA 85 HA ALA 85 19.147 -1.924 2.878 622 HB1 ALA 85 HB1 ALA 85 17.108 -4.095 2.363 623 HB2 ALA 85 HB2 ALA 85 16.781 -2.523 3.094 624 HB3 ALA 85 HB3 ALA 85 17.810 -3.690 3.930 625 H ALA 86 HN ALA 86 21.027 -2.787 3.262 626 HA ALA 86 HA ALA 86 21.876 -5.135 1.753 627 HB1 ALA 86 HB1 ALA 86 23.282 -3.135 1.564 628 HB2 ALA 86 HB2 ALA 86 24.150 -4.459 2.341 629 HB3 ALA 86 HB3 ALA 86 23.512 -3.132 3.313 630 H28 SXH 87 H28B SXH 87 -4.070 12.097 2.855 631 H28A SXH 87 H28A SXH 87 -4.790 12.645 4.361 632 H30 SXH 87 H30C SXH 87 -1.953 12.189 4.031 633 H30A SXH 87 H30A SXH 87 -2.739 12.849 5.465 634 H30B SXH 87 H30B SXH 87 -1.366 13.692 4.746 635 H31 SXH 87 H31A SXH 87 -3.174 14.643 1.648 636 H31A SXH 87 H31C SXH 87 -1.636 14.813 2.509 637 H31B SXH 87 H31B SXH 87 -2.140 13.231 1.923 638 H32 SXH 87 H32A SXH 87 -4.282 15.048 5.187 639 HO33 SXH 87 H33A SXH 87 -3.661 16.807 3.286 640 HN36 SXH 87 H36A SXH 87 -2.405 15.069 6.521 641 H37 SXH 87 H37A SXH 87 0.032 16.470 5.998 642 H37A SXH 87 H37B SXH 87 -1.123 17.460 6.846 643 H38 SXH 87 H38A SXH 87 0.213 16.511 8.479 644 H38A SXH 87 H38B SXH 87 -1.380 15.731 8.616 645 HN41 SXH 87 H41A SXH 87 0.999 14.897 6.193 646 H42 SXH 87 H42A SXH 87 2.692 13.164 7.293 647 H42A SXH 87 H42B SXH 87 1.225 12.185 7.170 648 H43 SXH 87 H43A SXH 87 2.574 13.625 4.882 649 H43A SXH 87 H43B SXH 87 1.270 12.413 4.748 650 H2 SXH 87 H2A SXH 87 1.531 11.034 3.373 651 H2A SXH 87 H2B SXH 87 2.558 10.021 2.365 652 H3 SXH 87 H3A SXH 87 3.099 12.039 1.002 653 H3A SXH 87 H3B SXH 87 1.907 12.932 1.946 654 H4 SXH 87 H4B SXH 87 0.948 12.164 -0.162 655 H4A SXH 87 H4A SXH 87 1.365 10.502 0.241 656 H5 SXH 87 H5A SXH 87 -0.584 12.270 1.738 657 H5A SXH 87 H5B SXH 87 -0.141 10.614 2.195 658 H6 SXH 87 H6C SXH 87 -0.976 9.816 0.043 659 H6A SXH 87 H6A SXH 87 -1.409 11.466 -0.407 660 H6B SXH 87 H6B SXH 87 -2.237 10.670 0.932 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 5.852 -16.661 3.115 2 H2 MET 1 HT2 MET 1 6.960 -17.233 4.267 3 H3 MET 1 HT3 MET 1 6.779 -18.045 2.794 4 HA MET 1 HA MET 1 8.776 -16.753 2.876 5 HB2 MET 1 HB2 MET 1 8.525 -15.610 0.742 6 HB3 MET 1 HB1 MET 1 7.603 -17.099 0.696 7 HG2 MET 1 HG2 MET 1 6.508 -14.307 1.034 8 HG3 MET 1 HG1 MET 1 6.397 -15.312 -0.407 9 HE1 MET 1 HE1 MET 1 2.678 -15.173 0.818 10 HE2 MET 1 HE2 MET 1 3.775 -14.928 -0.541 11 HE3 MET 1 HE3 MET 1 3.873 -13.878 0.874 12 H ALA 2 HN ALA 2 9.775 -15.104 3.743 13 HA ALA 2 HA ALA 2 8.240 -12.686 4.437 14 HB1 ALA 2 HB1 ALA 2 10.456 -14.016 6.009 15 HB2 ALA 2 HB2 ALA 2 8.748 -14.012 6.443 16 HB3 ALA 2 HB3 ALA 2 9.663 -12.502 6.439 17 H THR 3 HN THR 3 9.916 -13.538 2.166 18 HA THR 3 HA THR 3 12.261 -11.834 2.315 19 HB THR 3 HB THR 3 11.164 -13.535 0.110 20 HG1 THR 3 HG1 THR 3 13.253 -14.127 1.973 21 HG21 THR 3 HG21 THR 3 13.924 -12.368 0.547 22 HG22 THR 3 HG22 THR 3 12.750 -11.833 -0.653 23 HG23 THR 3 HG23 THR 3 13.471 -13.437 -0.785 24 H LEU 4 HN LEU 4 11.643 -9.715 2.125 25 HA LEU 4 HA LEU 4 11.033 -7.769 1.158 26 HB2 LEU 4 HB2 LEU 4 10.367 -9.460 -1.247 27 HB3 LEU 4 HB1 LEU 4 10.409 -7.709 -1.233 28 HG LEU 4 HG LEU 4 12.767 -9.559 -0.864 29 HD11 LEU 4 HD11 LEU 4 11.931 -9.509 -3.138 30 HD12 LEU 4 HD12 LEU 4 13.479 -8.670 -3.023 31 HD13 LEU 4 HD13 LEU 4 11.983 -7.746 -3.135 32 HD21 LEU 4 HD21 LEU 4 12.659 -6.545 -0.997 33 HD22 LEU 4 HD22 LEU 4 14.124 -7.525 -0.949 34 HD23 LEU 4 HD23 LEU 4 13.031 -7.505 0.433 35 H LEU 5 HN LEU 5 9.061 -6.805 -0.119 36 HA LEU 5 HA LEU 5 6.704 -7.572 1.409 37 HB2 LEU 5 HB2 LEU 5 7.277 -5.189 1.057 38 HB3 LEU 5 HB1 LEU 5 7.205 -5.425 -0.673 39 HG LEU 5 HG LEU 5 4.748 -5.895 -0.429 40 HD11 LEU 5 HD11 LEU 5 4.752 -6.536 1.914 41 HD12 LEU 5 HD12 LEU 5 3.634 -5.209 1.605 42 HD13 LEU 5 HD13 LEU 5 5.196 -4.891 2.366 43 HD21 LEU 5 HD21 LEU 5 4.128 -3.546 -0.116 44 HD22 LEU 5 HD22 LEU 5 5.546 -3.719 -1.149 45 HD23 LEU 5 HD23 LEU 5 5.732 -3.216 0.531 46 H THR 6 HN THR 6 5.328 -9.130 0.548 47 HA THR 6 HA THR 6 5.538 -9.472 -2.335 48 HB THR 6 HB THR 6 4.610 -11.712 -2.080 49 HG1 THR 6 HG1 THR 6 4.492 -11.187 0.731 50 HG21 THR 6 HG21 THR 6 6.365 -12.778 -0.730 51 HG22 THR 6 HG22 THR 6 6.777 -11.211 -0.035 52 HG23 THR 6 HG23 THR 6 7.019 -11.503 -1.758 53 H THR 7 HN THR 7 3.306 -10.507 -3.162 54 HA THR 7 HA THR 7 1.408 -8.533 -3.359 55 HB THR 7 HB THR 7 0.849 -11.507 -3.458 56 HG1 THR 7 HG1 THR 7 2.429 -9.867 -5.192 57 HG21 THR 7 HG21 THR 7 -0.140 -9.175 -5.124 58 HG22 THR 7 HG22 THR 7 -1.058 -9.999 -3.865 59 HG23 THR 7 HG23 THR 7 -0.608 -10.862 -5.336 60 H ASP 8 HN ASP 8 1.388 -11.443 -1.335 61 HA ASP 8 HA ASP 8 -0.989 -11.115 0.070 62 HB2 ASP 8 HB2 ASP 8 1.569 -12.506 0.796 63 HB3 ASP 8 HB1 ASP 8 0.210 -12.460 1.906 64 H ASP 9 HN ASP 9 2.226 -10.012 0.964 65 HA ASP 9 HA ASP 9 1.503 -9.022 3.528 66 HB2 ASP 9 HB2 ASP 9 3.832 -8.205 1.804 67 HB3 ASP 9 HB1 ASP 9 3.694 -7.913 3.533 68 H LEU 10 HN LEU 10 1.740 -7.581 0.355 69 HA LEU 10 HA LEU 10 1.393 -4.869 1.097 70 HB2 LEU 10 HB2 LEU 10 2.066 -6.118 -1.170 71 HB3 LEU 10 HB1 LEU 10 0.356 -5.996 -1.479 72 HG LEU 10 HG LEU 10 2.286 -3.702 -1.121 73 HD11 LEU 10 HD11 LEU 10 0.789 -4.695 -3.519 74 HD12 LEU 10 HD12 LEU 10 2.524 -4.828 -3.223 75 HD13 LEU 10 HD13 LEU 10 1.785 -3.243 -3.458 76 HD21 LEU 10 HD21 LEU 10 0.092 -3.069 -0.230 77 HD22 LEU 10 HD22 LEU 10 -0.669 -3.607 -1.731 78 HD23 LEU 10 HD23 LEU 10 0.433 -2.232 -1.746 79 H ARG 11 HN ARG 11 -0.781 -7.400 -0.064 80 HA ARG 11 HA ARG 11 -3.233 -6.150 0.055 81 HB2 ARG 11 HB2 ARG 11 -3.012 -8.328 -0.932 82 HB3 ARG 11 HB1 ARG 11 -2.510 -9.030 0.592 83 HG2 ARG 11 HG2 ARG 11 -4.691 -8.919 1.475 84 HG3 ARG 11 HG1 ARG 11 -5.238 -7.835 0.193 85 HD2 ARG 11 HD2 ARG 11 -6.025 -10.167 -0.095 86 HD3 ARG 11 HD1 ARG 11 -5.063 -9.582 -1.442 87 HE ARG 11 HE ARG 11 -3.760 -11.176 0.639 88 HH11 ARG 11 HH11 ARG 11 -4.977 -10.944 -2.705 89 HH12 ARG 11 HH12 ARG 11 -4.174 -12.333 -3.254 90 HH21 ARG 11 HH21 ARG 11 -2.603 -13.158 -0.181 91 HH22 ARG 11 HH22 ARG 11 -2.767 -13.568 -1.801 92 H ARG 12 HN ARG 12 -1.571 -7.857 2.683 93 HA ARG 12 HA ARG 12 -3.484 -7.556 4.682 94 HB2 ARG 12 HB2 ARG 12 -0.485 -7.603 4.864 95 HB3 ARG 12 HB1 ARG 12 -1.550 -7.660 6.258 96 HG2 ARG 12 HG2 ARG 12 -1.464 -9.665 4.036 97 HG3 ARG 12 HG1 ARG 12 -0.693 -9.849 5.606 98 HD2 ARG 12 HD2 ARG 12 -3.016 -9.520 6.608 99 HD3 ARG 12 HD1 ARG 12 -3.636 -9.709 4.965 100 HE ARG 12 HE ARG 12 -1.858 -11.770 5.911 101 HH11 ARG 12 HH11 ARG 12 -5.267 -10.883 5.313 102 HH12 ARG 12 HH12 ARG 12 -5.852 -12.452 5.593 103 HH21 ARG 12 HH21 ARG 12 -2.661 -13.824 6.349 104 HH22 ARG 12 HH22 ARG 12 -4.329 -14.196 6.269 105 H ALA 13 HN ALA 13 -0.799 -5.415 3.813 106 HA ALA 13 HA ALA 13 -1.176 -3.579 5.909 107 HB1 ALA 13 HB1 ALA 13 0.259 -2.087 4.620 108 HB2 ALA 13 HB2 ALA 13 0.056 -3.112 3.199 109 HB3 ALA 13 HB3 ALA 13 0.896 -3.732 4.620 110 H LEU 14 HN LEU 14 -2.375 -3.698 2.628 111 HA LEU 14 HA LEU 14 -3.681 -1.215 2.637 112 HB2 LEU 14 HB2 LEU 14 -4.183 -3.706 1.040 113 HB3 LEU 14 HB1 LEU 14 -5.046 -2.208 0.784 114 HG LEU 14 HG LEU 14 -2.090 -2.652 0.400 115 HD11 LEU 14 HD11 LEU 14 -4.340 -2.108 -1.527 116 HD12 LEU 14 HD12 LEU 14 -3.499 -3.645 -1.318 117 HD13 LEU 14 HD13 LEU 14 -2.632 -2.245 -1.945 118 HD21 LEU 14 HD21 LEU 14 -3.767 -0.198 -0.050 119 HD22 LEU 14 HD22 LEU 14 -2.046 -0.363 -0.431 120 HD23 LEU 14 HD23 LEU 14 -2.600 -0.406 1.247 121 H VAL 15 HN VAL 15 -4.959 -4.490 3.150 122 HA VAL 15 HA VAL 15 -7.589 -3.552 3.472 123 HB VAL 15 HB VAL 15 -7.006 -5.862 2.728 124 HG11 VAL 15 HG11 VAL 15 -6.424 -6.424 5.619 125 HG12 VAL 15 HG12 VAL 15 -5.284 -6.473 4.276 126 HG13 VAL 15 HG13 VAL 15 -6.606 -7.637 4.353 127 HG21 VAL 15 HG21 VAL 15 -9.260 -5.336 3.350 128 HG22 VAL 15 HG22 VAL 15 -8.903 -5.690 5.044 129 HG23 VAL 15 HG23 VAL 15 -8.865 -6.984 3.844 130 H GLU 16 HN GLU 16 -5.108 -4.366 5.849 131 HA GLU 16 HA GLU 16 -6.815 -4.155 8.086 132 HB2 GLU 16 HB2 GLU 16 -3.822 -3.981 7.865 133 HB3 GLU 16 HB1 GLU 16 -4.700 -4.024 9.385 134 HG2 GLU 16 HG2 GLU 16 -5.530 -6.234 8.895 135 HG3 GLU 16 HG1 GLU 16 -4.791 -6.188 7.292 136 H SER 17 HN SER 17 -4.881 -1.783 6.349 137 HA SER 17 HA SER 17 -5.230 0.166 8.430 138 HB2 SER 17 HB2 SER 17 -4.194 0.565 5.623 139 HB3 SER 17 HB1 SER 17 -4.014 1.676 6.983 140 HG SER 17 HG SER 17 -2.722 -0.659 6.374 141 H ALA 18 HN ALA 18 -6.771 -0.582 5.342 142 HA ALA 18 HA ALA 18 -8.312 1.844 5.334 143 HB1 ALA 18 HB1 ALA 18 -8.693 -0.659 3.701 144 HB2 ALA 18 HB2 ALA 18 -7.708 0.727 3.240 145 HB3 ALA 18 HB3 ALA 18 -9.454 0.904 3.408 146 H GLY 19 HN GLY 19 -8.804 -1.466 6.357 147 HA2 GLY 19 HA2 GLY 19 -11.289 -0.592 7.630 148 HA3 GLY 19 HA1 GLY 19 -11.246 -2.081 6.692 149 H GLU 20 HN GLU 20 -10.685 -3.865 7.671 150 HA GLU 20 HA GLU 20 -9.159 -3.747 10.164 151 HB2 GLU 20 HB2 GLU 20 -11.769 -5.247 9.796 152 HB3 GLU 20 HB1 GLU 20 -10.720 -5.405 11.194 153 HG2 GLU 20 HG2 GLU 20 -11.074 -3.049 11.724 154 HG3 GLU 20 HG1 GLU 20 -12.134 -2.900 10.327 155 H THR 21 HN THR 21 -9.142 -6.504 10.733 156 HA THR 21 HA THR 21 -7.406 -7.473 8.711 157 HB THR 21 HB THR 21 -8.467 -9.174 10.927 158 HG1 THR 21 HG1 THR 21 -6.510 -7.280 11.656 159 HG21 THR 21 HG21 THR 21 -5.674 -8.508 9.939 160 HG22 THR 21 HG22 THR 21 -6.600 -9.935 9.475 161 HG23 THR 21 HG23 THR 21 -6.075 -9.729 11.147 162 H ASP 22 HN ASP 22 -10.150 -7.077 7.830 163 HA ASP 22 HA ASP 22 -10.822 -9.673 6.733 164 HB2 ASP 22 HB2 ASP 22 -12.854 -8.009 8.270 165 HB3 ASP 22 HB1 ASP 22 -13.256 -9.353 7.218 166 H GLY 23 HN GLY 23 -12.863 -9.133 5.241 167 HA2 GLY 23 HA2 GLY 23 -13.682 -7.034 4.083 168 HA3 GLY 23 HA1 GLY 23 -11.967 -6.808 3.720 169 H THR 24 HN THR 24 -14.404 -7.490 2.056 170 HA THR 24 HA THR 24 -13.223 -9.901 0.899 171 HB THR 24 HB THR 24 -15.527 -10.305 1.729 172 HG1 THR 24 HG1 THR 24 -15.553 -10.325 -1.126 173 HG21 THR 24 HG21 THR 24 -17.461 -9.237 0.628 174 HG22 THR 24 HG22 THR 24 -16.357 -8.209 -0.285 175 HG23 THR 24 HG23 THR 24 -16.449 -8.062 1.470 176 H ASP 25 HN ASP 25 -13.152 -6.792 0.571 177 HA ASP 25 HA ASP 25 -13.342 -6.801 -2.356 178 HB2 ASP 25 HB2 ASP 25 -14.645 -5.071 -1.184 179 HB3 ASP 25 HB1 ASP 25 -13.166 -4.446 -0.468 180 H LEU 26 HN LEU 26 -11.214 -5.271 0.078 181 HA LEU 26 HA LEU 26 -8.988 -5.141 -1.697 182 HB2 LEU 26 HB2 LEU 26 -9.228 -4.852 1.277 183 HB3 LEU 26 HB1 LEU 26 -7.711 -4.662 0.421 184 HG LEU 26 HG LEU 26 -10.158 -2.997 -0.122 185 HD11 LEU 26 HD11 LEU 26 -9.338 -2.650 2.157 186 HD12 LEU 26 HD12 LEU 26 -9.005 -1.255 1.130 187 HD13 LEU 26 HD13 LEU 26 -7.713 -2.387 1.529 188 HD21 LEU 26 HD21 LEU 26 -8.549 -1.574 -1.290 189 HD22 LEU 26 HD22 LEU 26 -8.592 -3.196 -1.983 190 HD23 LEU 26 HD23 LEU 26 -7.265 -2.727 -0.929 191 H SER 27 HN SER 27 -10.179 -7.572 0.404 192 HA SER 27 HA SER 27 -7.646 -8.949 0.366 193 HB2 SER 27 HB2 SER 27 -9.313 -8.859 2.371 194 HB3 SER 27 HB1 SER 27 -10.210 -10.076 1.466 195 HG SER 27 HG SER 27 -8.135 -10.367 3.037 196 H GLY 28 HN GLY 28 -7.345 -9.393 -1.688 197 HA2 GLY 28 HA2 GLY 28 -8.114 -11.699 -2.854 198 HA3 GLY 28 HA1 GLY 28 -9.264 -10.499 -3.456 199 H ASP 29 HN ASP 29 -8.596 -9.928 -5.436 200 HA ASP 29 HA ASP 29 -5.740 -9.500 -5.857 201 HB2 ASP 29 HB2 ASP 29 -6.957 -10.805 -7.584 202 HB3 ASP 29 HB1 ASP 29 -8.021 -9.424 -7.854 203 H PHE 30 HN PHE 30 -4.927 -7.494 -6.292 204 HA PHE 30 HA PHE 30 -6.748 -5.195 -6.147 205 HB2 PHE 30 HB2 PHE 30 -5.656 -4.307 -4.135 206 HB3 PHE 30 HB1 PHE 30 -6.402 -5.872 -3.807 207 HD1 PHE 30 HD1 PHE 30 -4.945 -7.903 -3.738 208 HD2 PHE 30 HD2 PHE 30 -3.338 -3.980 -3.794 209 HE1 PHE 30 HE1 PHE 30 -2.839 -8.760 -2.809 210 HE2 PHE 30 HE2 PHE 30 -1.226 -4.827 -2.876 211 HZ PHE 30 HZ PHE 30 -0.869 -7.211 -2.649 212 H LEU 31 HN LEU 31 -3.829 -6.604 -7.169 213 HA LEU 31 HA LEU 31 -1.902 -4.707 -6.953 214 HB2 LEU 31 HB2 LEU 31 -1.560 -7.005 -7.632 215 HB3 LEU 31 HB1 LEU 31 -2.297 -6.676 -9.188 216 HG LEU 31 HG LEU 31 -0.480 -5.140 -9.694 217 HD11 LEU 31 HD11 LEU 31 0.696 -6.125 -7.080 218 HD12 LEU 31 HD12 LEU 31 0.148 -4.483 -7.418 219 HD13 LEU 31 HD13 LEU 31 1.548 -5.137 -8.267 220 HD21 LEU 31 HD21 LEU 31 1.259 -6.854 -10.009 221 HD22 LEU 31 HD22 LEU 31 -0.349 -7.441 -10.428 222 HD23 LEU 31 HD23 LEU 31 0.392 -7.913 -8.897 223 H ASP 32 HN ASP 32 -4.364 -4.817 -9.519 224 HA ASP 32 HA ASP 32 -3.151 -2.432 -10.732 225 HB2 ASP 32 HB2 ASP 32 -5.086 -4.475 -11.801 226 HB3 ASP 32 HB1 ASP 32 -4.887 -2.910 -12.572 227 H LEU 33 HN LEU 33 -5.157 -2.843 -8.315 228 HA LEU 33 HA LEU 33 -7.401 -1.383 -9.372 229 HB2 LEU 33 HB2 LEU 33 -6.877 -2.333 -6.562 230 HB3 LEU 33 HB1 LEU 33 -8.349 -1.552 -7.096 231 HG LEU 33 HG LEU 33 -7.326 -4.258 -7.957 232 HD11 LEU 33 HD11 LEU 33 -9.331 -5.091 -6.877 233 HD12 LEU 33 HD12 LEU 33 -9.788 -3.450 -6.434 234 HD13 LEU 33 HD13 LEU 33 -8.348 -4.176 -5.730 235 HD21 LEU 33 HD21 LEU 33 -9.791 -2.775 -8.867 236 HD22 LEU 33 HD22 LEU 33 -9.393 -4.447 -9.259 237 HD23 LEU 33 HD23 LEU 33 -8.373 -3.132 -9.850 238 H ARG 34 HN ARG 34 -7.958 0.569 -9.016 239 HA ARG 34 HA ARG 34 -5.927 2.509 -8.351 240 HB2 ARG 34 HB2 ARG 34 -8.837 2.836 -9.076 241 HB3 ARG 34 HB1 ARG 34 -7.653 4.128 -9.022 242 HG2 ARG 34 HG2 ARG 34 -7.542 1.760 -10.893 243 HG3 ARG 34 HG1 ARG 34 -8.205 3.335 -11.311 244 HD2 ARG 34 HD2 ARG 34 -5.336 2.762 -10.516 245 HD3 ARG 34 HD1 ARG 34 -5.929 3.051 -12.142 246 HE ARG 34 HE ARG 34 -6.403 5.137 -10.162 247 HH11 ARG 34 HH11 ARG 34 -4.534 4.082 -13.013 248 HH12 ARG 34 HH12 ARG 34 -4.032 5.657 -13.391 249 HH21 ARG 34 HH21 ARG 34 -5.593 7.257 -10.664 250 HH22 ARG 34 HH22 ARG 34 -4.557 7.474 -11.998 251 H PHE 35 HN PHE 35 -5.759 3.516 -6.430 252 HA PHE 35 HA PHE 35 -7.119 2.683 -4.171 253 HB2 PHE 35 HB2 PHE 35 -5.518 5.183 -4.622 254 HB3 PHE 35 HB1 PHE 35 -6.239 4.809 -3.055 255 HD1 PHE 35 HD1 PHE 35 -5.552 2.768 -1.847 256 HD2 PHE 35 HD2 PHE 35 -3.618 4.043 -5.394 257 HE1 PHE 35 HE1 PHE 35 -3.625 1.364 -1.297 258 HE2 PHE 35 HE2 PHE 35 -1.691 2.630 -4.862 259 HZ PHE 35 HZ PHE 35 -1.794 1.132 -2.844 260 H GLU 36 HN GLU 36 -7.899 5.431 -6.163 261 HA GLU 36 HA GLU 36 -10.028 6.509 -4.702 262 HB2 GLU 36 HB2 GLU 36 -10.869 7.416 -6.823 263 HB3 GLU 36 HB1 GLU 36 -9.125 7.598 -6.713 264 HG2 GLU 36 HG2 GLU 36 -8.810 5.710 -8.213 265 HG3 GLU 36 HG1 GLU 36 -10.550 5.442 -8.266 266 H ASP 37 HN ASP 37 -9.881 3.684 -6.664 267 HA ASP 37 HA ASP 37 -12.738 3.333 -6.878 268 HB2 ASP 37 HB2 ASP 37 -11.346 2.821 -8.784 269 HB3 ASP 37 HB1 ASP 37 -10.373 1.717 -7.829 270 H ILE 38 HN ILE 38 -10.076 2.157 -4.988 271 HA ILE 38 HA ILE 38 -11.823 0.163 -3.831 272 HB ILE 38 HB ILE 38 -9.794 -0.722 -2.649 273 HG12 ILE 38 HG12 ILE 38 -8.390 1.237 -4.490 274 HG13 ILE 38 HG11 ILE 38 -8.378 1.263 -2.736 275 HG21 ILE 38 HG21 ILE 38 -10.702 -1.754 -4.627 276 HG22 ILE 38 HG22 ILE 38 -8.939 -1.826 -4.676 277 HG23 ILE 38 HG23 ILE 38 -9.804 -0.635 -5.650 278 HD11 ILE 38 HD11 ILE 38 -7.130 -0.841 -2.718 279 HD12 ILE 38 HD12 ILE 38 -6.280 0.411 -3.621 280 HD13 ILE 38 HD13 ILE 38 -7.144 -0.864 -4.480 281 H GLY 39 HN GLY 39 -11.561 3.177 -3.249 282 HA2 GLY 39 HA2 GLY 39 -12.816 4.165 -1.518 283 HA3 GLY 39 HA1 GLY 39 -12.567 2.728 -0.557 284 H TYR 40 HN TYR 40 -9.761 4.320 -1.935 285 HA TYR 40 HA TYR 40 -9.093 5.230 0.792 286 HB2 TYR 40 HB2 TYR 40 -7.287 4.773 -1.595 287 HB3 TYR 40 HB1 TYR 40 -6.766 5.470 -0.078 288 HD1 TYR 40 HD1 TYR 40 -8.561 2.432 -1.283 289 HD2 TYR 40 HD2 TYR 40 -5.673 4.088 1.343 290 HE1 TYR 40 HE1 TYR 40 -7.998 0.192 -0.496 291 HE2 TYR 40 HE2 TYR 40 -5.107 1.842 2.144 292 HH TYR 40 HH TYR 40 -6.172 -0.390 2.256 293 H ASP 41 HN ASP 41 -9.098 7.332 1.217 294 HA ASP 41 HA ASP 41 -9.371 9.209 -0.985 295 HB2 ASP 41 HB2 ASP 41 -10.857 9.469 0.973 296 HB3 ASP 41 HB1 ASP 41 -9.449 9.664 2.006 297 H SER 42 HN SER 42 -7.323 8.595 1.732 298 HA SER 42 HA SER 42 -4.833 8.928 0.545 299 HB2 SER 42 HB2 SER 42 -4.088 11.166 1.318 300 HB3 SER 42 HB1 SER 42 -5.473 11.313 0.219 301 H LEU 43 HN LEU 43 -6.715 9.631 3.429 302 HA LEU 43 HA LEU 43 -4.770 9.447 5.394 303 HB2 LEU 43 HB2 LEU 43 -7.306 10.116 5.448 304 HB3 LEU 43 HB1 LEU 43 -7.560 8.434 5.841 305 HG LEU 43 HG LEU 43 -7.596 9.876 7.822 306 HD11 LEU 43 HD11 LEU 43 -5.223 8.034 7.808 307 HD12 LEU 43 HD12 LEU 43 -6.897 7.590 8.146 308 HD13 LEU 43 HD13 LEU 43 -6.032 8.671 9.239 309 HD21 LEU 43 HD21 LEU 43 -4.738 10.492 7.122 310 HD22 LEU 43 HD22 LEU 43 -5.559 10.966 8.609 311 HD23 LEU 43 HD23 LEU 43 -6.099 11.612 7.060 312 H ALA 44 HN ALA 44 -6.860 6.860 4.126 313 HA ALA 44 HA ALA 44 -5.841 4.811 5.789 314 HB1 ALA 44 HB1 ALA 44 -7.090 4.559 3.055 315 HB2 ALA 44 HB2 ALA 44 -7.974 4.651 4.577 316 HB3 ALA 44 HB3 ALA 44 -6.923 3.268 4.247 317 H LEU 45 HN LEU 45 -4.765 6.183 2.823 318 HA LEU 45 HA LEU 45 -3.009 4.062 2.073 319 HB2 LEU 45 HB2 LEU 45 -3.976 5.559 0.401 320 HB3 LEU 45 HB1 LEU 45 -3.190 6.929 1.144 321 HG LEU 45 HG LEU 45 -1.000 6.088 0.437 322 HD11 LEU 45 HD11 LEU 45 -2.549 3.837 -0.842 323 HD12 LEU 45 HD12 LEU 45 -1.461 3.691 0.538 324 HD13 LEU 45 HD13 LEU 45 -0.826 4.152 -1.043 325 HD21 LEU 45 HD21 LEU 45 -2.244 7.553 -1.073 326 HD22 LEU 45 HD22 LEU 45 -3.033 6.156 -1.795 327 HD23 LEU 45 HD23 LEU 45 -1.297 6.377 -1.983 328 H MET 46 HN MET 46 -2.662 7.132 3.785 329 HA MET 46 HA MET 46 0.160 6.953 3.940 330 HB2 MET 46 HB2 MET 46 0.128 8.874 5.377 331 HB3 MET 46 HB1 MET 46 -1.106 9.116 4.166 332 HG2 MET 46 HG2 MET 46 -2.131 9.893 6.092 333 HG3 MET 46 HG1 MET 46 -2.711 8.243 5.997 334 HE1 MET 46 HE1 MET 46 -2.285 9.035 9.864 335 HE2 MET 46 HE2 MET 46 -3.440 8.635 8.593 336 HE3 MET 46 HE3 MET 46 -2.666 10.218 8.612 337 H GLU 47 HN GLU 47 -2.434 5.911 6.068 338 HA GLU 47 HA GLU 47 -0.788 5.099 8.188 339 HB2 GLU 47 HB2 GLU 47 -3.497 4.130 7.326 340 HB3 GLU 47 HB1 GLU 47 -2.748 3.640 8.858 341 HG2 GLU 47 HG2 GLU 47 -2.635 6.153 9.331 342 HG3 GLU 47 HG1 GLU 47 -3.725 6.335 7.962 343 H THR 48 HN THR 48 -1.862 3.435 5.320 344 HA THR 48 HA THR 48 -0.795 0.867 5.779 345 HB THR 48 HB THR 48 -1.068 2.416 3.178 346 HG1 THR 48 HG1 THR 48 -3.086 2.224 4.187 347 HG21 THR 48 HG21 THR 48 -0.917 -0.572 3.629 348 HG22 THR 48 HG22 THR 48 0.382 0.435 2.993 349 HG23 THR 48 HG23 THR 48 -1.106 0.244 2.072 350 H ALA 49 HN ALA 49 0.537 3.682 4.033 351 HA ALA 49 HA ALA 49 3.005 2.686 3.313 352 HB1 ALA 49 HB1 ALA 49 2.294 5.534 4.018 353 HB2 ALA 49 HB2 ALA 49 2.049 4.765 2.449 354 HB3 ALA 49 HB3 ALA 49 3.683 5.013 3.062 355 H ALA 50 HN ALA 50 2.142 4.561 6.192 356 HA ALA 50 HA ALA 50 4.635 4.722 7.378 357 HB1 ALA 50 HB1 ALA 50 2.676 5.998 8.101 358 HB2 ALA 50 HB2 ALA 50 3.457 5.175 9.451 359 HB3 ALA 50 HB3 ALA 50 1.968 4.526 8.765 360 H ARG 51 HN ARG 51 2.260 2.114 7.570 361 HA ARG 51 HA ARG 51 3.586 0.722 9.668 362 HB2 ARG 51 HB2 ARG 51 1.141 0.450 8.978 363 HB3 ARG 51 HB1 ARG 51 1.730 -0.548 7.654 364 HG2 ARG 51 HG2 ARG 51 2.706 -2.114 9.211 365 HG3 ARG 51 HG1 ARG 51 2.254 -1.087 10.568 366 HD2 ARG 51 HD2 ARG 51 0.487 -2.524 10.643 367 HD3 ARG 51 HD1 ARG 51 -0.139 -1.373 9.490 368 HE ARG 51 HE ARG 51 1.052 -3.178 7.897 369 HH11 ARG 51 HH11 ARG 51 -1.271 -3.497 10.592 370 HH12 ARG 51 HH12 ARG 51 -1.998 -4.916 9.987 371 HH21 ARG 51 HH21 ARG 51 0.023 -5.207 7.082 372 HH22 ARG 51 HH22 ARG 51 -1.287 -5.867 7.965 373 H LEU 52 HN LEU 52 3.698 0.538 6.173 374 HA LEU 52 HA LEU 52 5.372 -1.771 6.132 375 HB2 LEU 52 HB2 LEU 52 4.838 0.278 3.983 376 HB3 LEU 52 HB1 LEU 52 5.729 -1.214 3.739 377 HG LEU 52 HG LEU 52 2.820 -1.005 4.518 378 HD11 LEU 52 HD11 LEU 52 4.123 -1.867 1.947 379 HD12 LEU 52 HD12 LEU 52 3.223 -0.373 2.210 380 HD13 LEU 52 HD13 LEU 52 2.398 -1.928 2.302 381 HD21 LEU 52 HD21 LEU 52 2.775 -3.434 4.213 382 HD22 LEU 52 HD22 LEU 52 3.883 -2.971 5.505 383 HD23 LEU 52 HD23 LEU 52 4.514 -3.434 3.924 384 H GLU 53 HN GLU 53 5.920 1.674 6.116 385 HA GLU 53 HA GLU 53 8.661 1.692 5.595 386 HB2 GLU 53 HB2 GLU 53 6.945 3.527 7.236 387 HB3 GLU 53 HB1 GLU 53 8.653 3.816 6.955 388 HG2 GLU 53 HG2 GLU 53 8.283 3.960 4.603 389 HG3 GLU 53 HG1 GLU 53 6.579 3.572 4.791 390 H SER 54 HN SER 54 7.027 1.785 8.765 391 HA SER 54 HA SER 54 9.377 1.554 10.243 392 HB2 SER 54 HB2 SER 54 6.539 0.869 11.008 393 HB3 SER 54 HB1 SER 54 7.883 1.069 12.140 394 HG SER 54 HG SER 54 8.142 3.189 11.282 395 H ARG 55 HN ARG 55 7.209 -0.923 8.988 396 HA ARG 55 HA ARG 55 8.395 -3.034 10.429 397 HB2 ARG 55 HB2 ARG 55 6.177 -3.263 9.516 398 HB3 ARG 55 HB1 ARG 55 6.803 -3.110 7.881 399 HG2 ARG 55 HG2 ARG 55 7.954 -5.210 8.064 400 HG3 ARG 55 HG1 ARG 55 7.523 -5.338 9.771 401 HD2 ARG 55 HD2 ARG 55 5.600 -5.286 7.462 402 HD3 ARG 55 HD1 ARG 55 6.079 -6.719 8.377 403 HE ARG 55 HE ARG 55 5.115 -4.782 10.160 404 HH11 ARG 55 HH11 ARG 55 3.853 -6.895 7.626 405 HH12 ARG 55 HH12 ARG 55 2.340 -7.095 8.326 406 HH21 ARG 55 HH21 ARG 55 3.153 -4.968 11.124 407 HH22 ARG 55 HH22 ARG 55 1.877 -5.922 10.517 408 H TYR 56 HN TYR 56 8.931 -1.964 7.065 409 HA TYR 56 HA TYR 56 10.943 -4.036 6.800 410 HB2 TYR 56 HB2 TYR 56 9.787 -2.136 4.768 411 HB3 TYR 56 HB1 TYR 56 11.054 -3.302 4.411 412 HD1 TYR 56 HD2 TYR 56 10.564 -5.734 4.568 413 HD2 TYR 56 HD1 TYR 56 7.507 -2.807 4.934 414 HE1 TYR 56 HE2 TYR 56 8.869 -7.462 4.151 415 HE2 TYR 56 HE1 TYR 56 5.804 -4.525 4.521 416 HH TYR 56 HH TYR 56 5.684 -6.764 3.396 417 H GLY 57 HN GLY 57 10.988 -0.835 7.761 418 HA2 GLY 57 HA2 GLY 57 12.833 0.450 8.328 419 HA3 GLY 57 HA1 GLY 57 13.874 -0.804 7.658 420 H VAL 58 HN VAL 58 11.274 1.057 6.236 421 HA VAL 58 HA VAL 58 13.141 2.199 4.293 422 HB VAL 58 HB VAL 58 11.447 1.925 2.483 423 HG11 VAL 58 HG11 VAL 58 12.266 -0.666 3.753 424 HG12 VAL 58 HG12 VAL 58 13.238 0.300 2.630 425 HG13 VAL 58 HG13 VAL 58 11.732 -0.457 2.084 426 HG21 VAL 58 HG21 VAL 58 9.993 0.189 4.477 427 HG22 VAL 58 HG22 VAL 58 9.580 0.360 2.770 428 HG23 VAL 58 HG23 VAL 58 9.448 1.746 3.854 429 H SER 59 HN SER 59 11.956 4.019 3.064 430 HA SER 59 HA SER 59 9.757 5.081 4.601 431 HB2 SER 59 HB2 SER 59 11.884 6.164 5.446 432 HB3 SER 59 HB1 SER 59 12.113 6.825 3.824 433 HG SER 59 HG SER 59 9.638 7.182 5.050 434 H ILE 60 HN ILE 60 8.260 5.966 3.375 435 HA ILE 60 HA ILE 60 8.671 5.804 0.482 436 HB ILE 60 HB ILE 60 6.079 6.015 2.053 437 HG12 ILE 60 HG12 ILE 60 7.337 3.619 0.696 438 HG13 ILE 60 HG11 ILE 60 7.308 3.896 2.433 439 HG21 ILE 60 HG21 ILE 60 4.998 5.406 -0.077 440 HG22 ILE 60 HG22 ILE 60 6.568 5.439 -0.881 441 HG23 ILE 60 HG23 ILE 60 5.886 6.923 -0.220 442 HD11 ILE 60 HD11 ILE 60 4.914 3.490 0.664 443 HD12 ILE 60 HD12 ILE 60 4.875 3.754 2.408 444 HD13 ILE 60 HD13 ILE 60 5.619 2.295 1.752 445 HA PRO 61 HA PRO 61 8.960 10.290 0.721 446 HB2 PRO 61 HB2 PRO 61 9.070 9.947 -2.229 447 HB3 PRO 61 HB1 PRO 61 10.179 10.812 -1.157 448 HG2 PRO 61 HG2 PRO 61 10.892 8.487 -2.212 449 HG3 PRO 61 HG1 PRO 61 11.293 8.867 -0.527 450 HD2 PRO 61 HD2 PRO 61 9.089 7.148 -1.601 451 HD3 PRO 61 HD1 PRO 61 10.183 6.848 -0.233 452 H ASP 62 HN ASP 62 7.646 11.959 0.187 453 HA ASP 62 HA ASP 62 4.905 11.433 0.348 454 HB2 ASP 62 HB2 ASP 62 6.046 13.465 1.183 455 HB3 ASP 62 HB1 ASP 62 6.197 14.026 -0.475 456 H ASP 63 HN ASP 63 6.714 12.754 -2.435 457 HA ASP 63 HA ASP 63 4.359 12.873 -4.065 458 HB2 ASP 63 HB2 ASP 63 5.776 13.608 -5.858 459 HB3 ASP 63 HB1 ASP 63 6.336 14.385 -4.384 460 H VAL 64 HN VAL 64 6.595 10.450 -3.289 461 HA VAL 64 HA VAL 64 6.137 8.835 -5.615 462 HB VAL 64 HB VAL 64 7.239 8.028 -2.895 463 HG11 VAL 64 HG11 VAL 64 8.076 6.027 -4.048 464 HG12 VAL 64 HG12 VAL 64 7.279 6.547 -5.532 465 HG13 VAL 64 HG13 VAL 64 6.315 6.113 -4.119 466 HG21 VAL 64 HG21 VAL 64 8.637 8.655 -5.485 467 HG22 VAL 64 HG22 VAL 64 9.411 8.087 -4.004 468 HG23 VAL 64 HG23 VAL 64 8.622 9.664 -4.041 469 H ALA 65 HN ALA 65 4.950 8.953 -2.301 470 HA ALA 65 HA ALA 65 3.065 6.890 -2.560 471 HB1 ALA 65 HB1 ALA 65 1.947 7.921 -0.647 472 HB2 ALA 65 HB2 ALA 65 2.902 9.385 -0.879 473 HB3 ALA 65 HB3 ALA 65 3.693 7.880 -0.411 474 H GLY 66 HN GLY 66 3.018 10.236 -3.508 475 HA2 GLY 66 HA2 GLY 66 0.263 10.424 -4.193 476 HA3 GLY 66 HA1 GLY 66 1.537 11.498 -4.750 477 H ARG 67 HN ARG 67 2.952 9.017 -5.874 478 HA ARG 67 HA ARG 67 1.434 8.975 -8.385 479 HB2 ARG 67 HB2 ARG 67 3.538 7.897 -9.358 480 HB3 ARG 67 HB1 ARG 67 3.683 9.574 -8.850 481 HG2 ARG 67 HG2 ARG 67 4.850 8.962 -6.895 482 HG3 ARG 67 HG1 ARG 67 4.492 7.260 -7.132 483 HD2 ARG 67 HD2 ARG 67 6.102 8.858 -9.092 484 HD3 ARG 67 HD1 ARG 67 6.829 8.056 -7.701 485 HE ARG 67 HE ARG 67 5.177 6.345 -9.310 486 HH11 ARG 67 HH11 ARG 67 8.495 7.587 -8.825 487 HH12 ARG 67 HH12 ARG 67 9.194 6.330 -9.722 488 HH21 ARG 67 HH21 ARG 67 6.180 4.586 -10.346 489 HH22 ARG 67 HH22 ARG 67 7.886 4.515 -10.508 490 H VAL 68 HN VAL 68 1.449 7.193 -5.675 491 HA VAL 68 HA VAL 68 1.370 4.651 -6.919 492 HB VAL 68 HB VAL 68 0.855 5.630 -4.096 493 HG11 VAL 68 HG11 VAL 68 0.931 3.290 -3.463 494 HG12 VAL 68 HG12 VAL 68 1.065 2.860 -5.185 495 HG13 VAL 68 HG13 VAL 68 -0.393 3.680 -4.574 496 HG21 VAL 68 HG21 VAL 68 3.182 4.123 -5.260 497 HG22 VAL 68 HG22 VAL 68 2.963 4.532 -3.559 498 HG23 VAL 68 HG23 VAL 68 3.180 5.813 -4.755 499 H ASP 69 HN ASP 69 -0.311 5.010 -8.380 500 HA ASP 69 HA ASP 69 -2.986 5.788 -7.445 501 HB2 ASP 69 HB2 ASP 69 -2.326 4.526 -10.107 502 HB3 ASP 69 HB1 ASP 69 -3.702 5.525 -9.703 503 H THR 70 HN THR 70 -1.009 3.126 -8.018 504 HA THR 70 HA THR 70 -3.111 1.204 -7.426 505 HB THR 70 HB THR 70 -1.884 -0.322 -9.064 506 HG1 THR 70 HG1 THR 70 -0.764 2.193 -9.892 507 HG21 THR 70 HG21 THR 70 -4.060 0.668 -9.646 508 HG22 THR 70 HG22 THR 70 -3.014 0.579 -11.063 509 HG23 THR 70 HG23 THR 70 -3.245 2.117 -10.233 510 HA PRO 71 HA PRO 71 -0.319 -0.130 -4.249 511 HB2 PRO 71 HB2 PRO 71 -0.919 -2.894 -5.198 512 HB3 PRO 71 HB1 PRO 71 -1.040 -2.215 -3.570 513 HG2 PRO 71 HG2 PRO 71 -3.231 -2.611 -4.978 514 HG3 PRO 71 HG1 PRO 71 -3.045 -1.111 -4.047 515 HD2 PRO 71 HD2 PRO 71 -2.724 -1.578 -6.981 516 HD3 PRO 71 HD1 PRO 71 -3.493 -0.218 -6.138 517 H ARG 72 HN ARG 72 0.039 -1.446 -7.425 518 HA ARG 72 HA ARG 72 2.408 -2.814 -7.373 519 HB2 ARG 72 HB2 ARG 72 1.055 -2.734 -9.343 520 HB3 ARG 72 HB1 ARG 72 1.265 -0.998 -9.482 521 HG2 ARG 72 HG2 ARG 72 3.599 -1.298 -10.050 522 HG3 ARG 72 HG1 ARG 72 3.447 -3.040 -9.826 523 HD2 ARG 72 HD2 ARG 72 1.865 -1.435 -11.821 524 HD3 ARG 72 HD1 ARG 72 3.341 -2.316 -12.200 525 HE ARG 72 HE ARG 72 2.214 -4.344 -11.531 526 HH11 ARG 72 HH11 ARG 72 0.048 -1.573 -12.332 527 HH12 ARG 72 HH12 ARG 72 -1.217 -2.612 -12.828 528 HH21 ARG 72 HH21 ARG 72 0.402 -5.663 -12.221 529 HH22 ARG 72 HH22 ARG 72 -1.042 -4.911 -12.727 530 H GLU 73 HN GLU 73 2.000 0.702 -7.703 531 HA GLU 73 HA GLU 73 4.738 1.331 -8.073 532 HB2 GLU 73 HB2 GLU 73 2.450 3.012 -7.065 533 HB3 GLU 73 HB1 GLU 73 4.040 3.644 -7.463 534 HG2 GLU 73 HG2 GLU 73 2.193 2.244 -9.372 535 HG3 GLU 73 HG1 GLU 73 2.406 3.989 -9.239 536 H LEU 74 HN LEU 74 2.720 1.011 -5.276 537 HA LEU 74 HA LEU 74 4.495 2.150 -3.371 538 HB2 LEU 74 HB2 LEU 74 1.932 1.650 -3.262 539 HB3 LEU 74 HB1 LEU 74 2.413 0.039 -2.795 540 HG LEU 74 HG LEU 74 1.742 1.404 -0.881 541 HD11 LEU 74 HD11 LEU 74 4.674 0.771 -0.841 542 HD12 LEU 74 HD12 LEU 74 3.354 -0.338 -0.467 543 HD13 LEU 74 HD13 LEU 74 3.658 1.055 0.573 544 HD21 LEU 74 HD21 LEU 74 4.057 3.178 -1.636 545 HD22 LEU 74 HD22 LEU 74 3.100 3.316 -0.160 546 HD23 LEU 74 HD23 LEU 74 2.347 3.590 -1.731 547 H LEU 75 HN LEU 75 3.734 -1.109 -4.446 548 HA LEU 75 HA LEU 75 5.392 -2.700 -2.903 549 HB2 LEU 75 HB2 LEU 75 3.671 -3.512 -4.420 550 HB3 LEU 75 HB1 LEU 75 4.596 -2.958 -5.794 551 HG LEU 75 HG LEU 75 6.361 -4.609 -5.186 552 HD11 LEU 75 HD11 LEU 75 5.744 -6.438 -3.684 553 HD12 LEU 75 HD12 LEU 75 4.266 -5.573 -3.255 554 HD13 LEU 75 HD13 LEU 75 5.841 -4.890 -2.845 555 HD21 LEU 75 HD21 LEU 75 5.116 -6.527 -6.047 556 HD22 LEU 75 HD22 LEU 75 4.737 -5.049 -6.933 557 HD23 LEU 75 HD23 LEU 75 3.600 -5.679 -5.742 558 H ASP 76 HN ASP 76 6.023 -1.202 -6.045 559 HA ASP 76 HA ASP 76 8.633 -2.106 -6.418 560 HB2 ASP 76 HB2 ASP 76 7.384 -1.177 -8.269 561 HB3 ASP 76 HB1 ASP 76 7.335 0.402 -7.496 562 H LEU 77 HN LEU 77 7.526 0.895 -4.898 563 HA LEU 77 HA LEU 77 10.095 2.000 -4.530 564 HB2 LEU 77 HB2 LEU 77 7.939 3.264 -4.400 565 HB3 LEU 77 HB1 LEU 77 7.588 2.476 -2.886 566 HG LEU 77 HG LEU 77 8.339 4.859 -2.713 567 HD11 LEU 77 HD11 LEU 77 10.090 2.884 -1.273 568 HD12 LEU 77 HD12 LEU 77 8.502 3.455 -0.757 569 HD13 LEU 77 HD13 LEU 77 9.861 4.575 -0.826 570 HD21 LEU 77 HD21 LEU 77 10.727 5.372 -2.944 571 HD22 LEU 77 HD22 LEU 77 10.001 4.884 -4.475 572 HD23 LEU 77 HD23 LEU 77 11.005 3.747 -3.575 573 H ILE 78 HN ILE 78 8.135 -0.071 -2.465 574 HA ILE 78 HA ILE 78 9.794 0.000 -0.166 575 HB ILE 78 HB ILE 78 7.919 -2.194 -1.112 576 HG12 ILE 78 HG12 ILE 78 6.765 -0.062 -0.786 577 HG13 ILE 78 HG11 ILE 78 6.291 -1.222 0.446 578 HG21 ILE 78 HG21 ILE 78 9.092 -1.753 1.637 579 HG22 ILE 78 HG22 ILE 78 9.480 -3.073 0.534 580 HG23 ILE 78 HG23 ILE 78 7.863 -2.952 1.227 581 HD11 ILE 78 HD11 ILE 78 8.251 1.034 0.791 582 HD12 ILE 78 HD12 ILE 78 7.786 -0.122 2.037 583 HD13 ILE 78 HD13 ILE 78 6.590 0.997 1.380 584 H ASN 79 HN ASN 79 9.431 -2.576 -2.603 585 HA ASN 79 HA ASN 79 11.653 -3.990 -1.583 586 HB2 ASN 79 HB2 ASN 79 10.198 -4.366 -4.202 587 HB3 ASN 79 HB1 ASN 79 11.482 -5.430 -3.629 588 HD21 ASN 79 HD21 ASN 79 8.795 -6.196 -4.157 589 HD22 ASN 79 HD22 ASN 79 8.108 -6.725 -2.663 590 H GLY 80 HN GLY 80 11.450 -1.453 -3.899 591 HA2 GLY 80 HA2 GLY 80 13.920 -1.850 -5.190 592 HA3 GLY 80 HA1 GLY 80 13.085 -0.310 -5.006 593 H ALA 81 HN ALA 81 13.030 -0.053 -2.273 594 HA ALA 81 HA ALA 81 15.677 0.849 -1.743 595 HB1 ALA 81 HB1 ALA 81 13.700 2.016 -0.877 596 HB2 ALA 81 HB2 ALA 81 14.793 1.544 0.427 597 HB3 ALA 81 HB3 ALA 81 13.319 0.622 0.134 598 H LEU 82 HN LEU 82 13.738 -1.875 -0.674 599 HA LEU 82 HA LEU 82 15.497 -2.878 1.283 600 HB2 LEU 82 HB2 LEU 82 13.452 -4.291 -0.412 601 HB3 LEU 82 HB1 LEU 82 14.331 -5.065 0.888 602 HG LEU 82 HG LEU 82 12.470 -2.712 1.219 603 HD11 LEU 82 HD11 LEU 82 12.106 -5.631 1.894 604 HD12 LEU 82 HD12 LEU 82 11.284 -4.760 0.601 605 HD13 LEU 82 HD13 LEU 82 10.979 -4.333 2.285 606 HD21 LEU 82 HD21 LEU 82 14.284 -2.777 2.859 607 HD22 LEU 82 HD22 LEU 82 13.874 -4.448 3.250 608 HD23 LEU 82 HD23 LEU 82 12.732 -3.151 3.603 609 H ALA 83 HN ALA 83 15.119 -3.819 -2.132 610 HA ALA 83 HA ALA 83 17.168 -5.735 -2.129 611 HB1 ALA 83 HB1 ALA 83 17.070 -5.616 -4.560 612 HB2 ALA 83 HB2 ALA 83 16.156 -4.111 -4.464 613 HB3 ALA 83 HB3 ALA 83 15.447 -5.614 -3.873 614 H GLU 84 HN GLU 84 17.223 -2.301 -2.482 615 HA GLU 84 HA GLU 84 19.866 -2.052 -3.484 616 HB2 GLU 84 HB2 GLU 84 18.215 -0.265 -3.679 617 HB3 GLU 84 HB1 GLU 84 18.142 -0.123 -1.932 618 HG2 GLU 84 HG2 GLU 84 20.480 0.589 -1.907 619 HG3 GLU 84 HG1 GLU 84 20.520 0.474 -3.668 620 H ALA 85 HN ALA 85 18.471 -1.532 -0.248 621 HA ALA 85 HA ALA 85 19.264 -1.539 1.822 622 HB1 ALA 85 HB1 ALA 85 19.534 -3.947 1.350 623 HB2 ALA 85 HB2 ALA 85 20.719 -3.353 2.513 624 HB3 ALA 85 HB3 ALA 85 21.195 -3.644 0.841 625 H ALA 86 HN ALA 86 19.979 0.521 1.894 626 HA ALA 86 HA ALA 86 22.748 0.860 2.402 627 HB1 ALA 86 HB1 ALA 86 21.523 2.345 0.066 628 HB2 ALA 86 HB2 ALA 86 22.772 1.105 -0.050 629 HB3 ALA 86 HB3 ALA 86 23.122 2.639 0.748 630 H28 SXH 87 H28B SXH 87 -3.565 11.860 3.668 631 H28A SXH 87 H28A SXH 87 -4.295 13.113 4.669 632 H30 SXH 87 H30C SXH 87 -1.500 11.630 4.666 633 H30A SXH 87 H30A SXH 87 -2.174 12.588 5.987 634 H30B SXH 87 H30B SXH 87 -0.601 13.007 5.309 635 H31 SXH 87 H31A SXH 87 -1.940 14.149 2.039 636 H31A SXH 87 H31C SXH 87 -0.461 13.987 2.987 637 H31B SXH 87 H31B SXH 87 -1.306 12.548 2.418 638 H32 SXH 87 H32A SXH 87 -2.719 14.956 5.699 639 HO33 SXH 87 H33A SXH 87 -2.773 16.557 3.650 640 HN36 SXH 87 H36A SXH 87 -0.393 14.651 6.062 641 H37 SXH 87 H37A SXH 87 1.104 16.950 4.948 642 H37A SXH 87 H37B SXH 87 1.257 16.421 6.630 643 H38 SXH 87 H38A SXH 87 2.071 14.799 4.200 644 H38A SXH 87 H38B SXH 87 3.144 15.823 5.113 645 HN41 SXH 87 H41A SXH 87 3.260 13.021 4.634 646 H42 SXH 87 H42A SXH 87 4.563 11.712 6.219 647 H42A SXH 87 H42B SXH 87 3.203 11.882 7.346 648 H43 SXH 87 H43A SXH 87 1.799 10.638 5.867 649 H43A SXH 87 H43B SXH 87 3.296 9.677 6.024 650 H2 SXH 87 H2A SXH 87 1.440 8.077 1.982 651 H2A SXH 87 H2B SXH 87 2.518 9.361 1.424 652 H3 SXH 87 H3A SXH 87 0.872 11.031 2.140 653 H3A SXH 87 H3B SXH 87 -0.193 9.740 2.700 654 H4 SXH 87 H4B SXH 87 0.721 10.167 -0.141 655 H4A SXH 87 H4A SXH 87 -0.320 8.857 0.416 656 H5 SXH 87 H5A SXH 87 -0.958 11.810 0.559 657 H5A SXH 87 H5B SXH 87 -2.007 10.488 1.111 658 H6 SXH 87 H6C SXH 87 -1.020 10.926 -1.708 659 H6A SXH 87 H6A SXH 87 -2.643 11.276 -1.116 660 H6B SXH 87 H6B SXH 87 -2.064 9.611 -1.173 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 18.030 -14.788 -3.987 2 H2 MET 1 HT2 MET 1 17.148 -13.377 -3.625 3 H3 MET 1 HT3 MET 1 16.770 -14.830 -2.867 4 HA MET 1 HA MET 1 18.770 -14.896 -1.680 5 HB2 MET 1 HB2 MET 1 19.355 -12.202 -2.957 6 HB3 MET 1 HB1 MET 1 20.299 -12.945 -1.679 7 HG2 MET 1 HG2 MET 1 19.964 -13.993 -4.479 8 HG3 MET 1 HG1 MET 1 21.377 -13.153 -3.847 9 HE1 MET 1 HE1 MET 1 23.049 -14.187 -2.062 10 HE2 MET 1 HE2 MET 1 22.779 -15.735 -1.263 11 HE3 MET 1 HE3 MET 1 21.696 -14.381 -0.946 12 H ALA 2 HN ALA 2 17.428 -11.637 -2.297 13 HA ALA 2 HA ALA 2 16.985 -11.276 0.525 14 HB1 ALA 2 HB1 ALA 2 17.798 -9.416 -0.852 15 HB2 ALA 2 HB2 ALA 2 16.232 -9.039 -0.133 16 HB3 ALA 2 HB3 ALA 2 16.332 -9.501 -1.830 17 H THR 3 HN THR 3 15.030 -11.288 1.521 18 HA THR 3 HA THR 3 12.874 -12.585 0.149 19 HB THR 3 HB THR 3 13.036 -11.416 2.902 20 HG1 THR 3 HG1 THR 3 13.748 -13.948 1.825 21 HG21 THR 3 HG21 THR 3 10.751 -11.986 2.185 22 HG22 THR 3 HG22 THR 3 11.296 -13.094 3.443 23 HG23 THR 3 HG23 THR 3 11.289 -13.611 1.755 24 H LEU 4 HN LEU 4 11.839 -11.272 -1.236 25 HA LEU 4 HA LEU 4 11.430 -8.474 -0.689 26 HB2 LEU 4 HB2 LEU 4 10.498 -10.194 -2.989 27 HB3 LEU 4 HB1 LEU 4 10.311 -8.455 -2.893 28 HG LEU 4 HG LEU 4 12.931 -9.951 -3.071 29 HD11 LEU 4 HD11 LEU 4 11.681 -9.979 -5.149 30 HD12 LEU 4 HD12 LEU 4 13.096 -8.936 -5.280 31 HD13 LEU 4 HD13 LEU 4 11.494 -8.227 -5.073 32 HD21 LEU 4 HD21 LEU 4 12.385 -6.982 -3.040 33 HD22 LEU 4 HD22 LEU 4 13.956 -7.742 -3.304 34 HD23 LEU 4 HD23 LEU 4 13.148 -7.904 -1.744 35 H LEU 5 HN LEU 5 9.253 -7.546 -0.905 36 HA LEU 5 HA LEU 5 7.464 -8.994 0.841 37 HB2 LEU 5 HB2 LEU 5 8.150 -6.506 1.036 38 HB3 LEU 5 HB1 LEU 5 7.160 -6.246 -0.375 39 HG LEU 5 HG LEU 5 5.992 -7.353 2.178 40 HD11 LEU 5 HD11 LEU 5 7.081 -5.216 2.663 41 HD12 LEU 5 HD12 LEU 5 5.324 -5.075 2.710 42 HD13 LEU 5 HD13 LEU 5 6.217 -4.473 1.316 43 HD21 LEU 5 HD21 LEU 5 3.941 -6.430 1.270 44 HD22 LEU 5 HD22 LEU 5 4.668 -7.574 0.141 45 HD23 LEU 5 HD23 LEU 5 4.820 -5.839 -0.139 46 H THR 6 HN THR 6 5.607 -9.968 0.115 47 HA THR 6 HA THR 6 5.273 -9.987 -2.771 48 HB THR 6 HB THR 6 3.895 -12.042 -2.357 49 HG1 THR 6 HG1 THR 6 5.033 -11.940 0.251 50 HG21 THR 6 HG21 THR 6 6.735 -12.080 -1.306 51 HG22 THR 6 HG22 THR 6 6.267 -12.183 -3.004 52 HG23 THR 6 HG23 THR 6 5.836 -13.482 -1.890 53 H THR 7 HN THR 7 3.034 -10.460 -3.518 54 HA THR 7 HA THR 7 1.339 -8.312 -3.213 55 HB THR 7 HB THR 7 0.603 -11.131 -4.065 56 HG1 THR 7 HG1 THR 7 2.444 -10.170 -5.240 57 HG21 THR 7 HG21 THR 7 -1.350 -9.671 -3.725 58 HG22 THR 7 HG22 THR 7 -1.111 -10.011 -5.441 59 HG23 THR 7 HG23 THR 7 -0.627 -8.452 -4.777 60 H ASP 8 HN ASP 8 1.076 -11.545 -1.748 61 HA ASP 8 HA ASP 8 -1.274 -11.036 -0.267 62 HB2 ASP 8 HB2 ASP 8 0.869 -13.116 0.096 63 HB3 ASP 8 HB1 ASP 8 -0.525 -13.012 1.166 64 H ASP 9 HN ASP 9 2.104 -10.671 0.573 65 HA ASP 9 HA ASP 9 1.714 -10.153 3.348 66 HB2 ASP 9 HB2 ASP 9 3.946 -10.654 2.173 67 HB3 ASP 9 HB1 ASP 9 3.920 -8.979 1.657 68 H LEU 10 HN LEU 10 1.988 -8.132 0.501 69 HA LEU 10 HA LEU 10 1.748 -5.609 1.711 70 HB2 LEU 10 HB2 LEU 10 2.476 -6.099 -0.651 71 HB3 LEU 10 HB1 LEU 10 0.810 -6.467 -1.032 72 HG LEU 10 HG LEU 10 0.231 -4.102 -0.436 73 HD11 LEU 10 HD11 LEU 10 2.128 -3.610 0.997 74 HD12 LEU 10 HD12 LEU 10 2.032 -2.463 -0.339 75 HD13 LEU 10 HD13 LEU 10 3.223 -3.763 -0.379 76 HD21 LEU 10 HD21 LEU 10 2.250 -4.491 -2.642 77 HD22 LEU 10 HD22 LEU 10 1.100 -3.158 -2.517 78 HD23 LEU 10 HD23 LEU 10 0.519 -4.807 -2.751 79 H ARG 11 HN ARG 11 -0.579 -7.807 0.226 80 HA ARG 11 HA ARG 11 -2.877 -6.365 0.536 81 HB2 ARG 11 HB2 ARG 11 -2.953 -8.359 -0.776 82 HB3 ARG 11 HB1 ARG 11 -2.525 -9.362 0.604 83 HG2 ARG 11 HG2 ARG 11 -4.634 -9.118 1.579 84 HG3 ARG 11 HG1 ARG 11 -5.039 -7.729 0.577 85 HD2 ARG 11 HD2 ARG 11 -6.251 -9.746 -0.098 86 HD3 ARG 11 HD1 ARG 11 -5.202 -9.138 -1.367 87 HE ARG 11 HE ARG 11 -3.627 -10.977 -0.443 88 HH11 ARG 11 HH11 ARG 11 -7.099 -11.290 -0.278 89 HH12 ARG 11 HH12 ARG 11 -7.196 -12.856 -0.940 90 HH21 ARG 11 HH21 ARG 11 -3.663 -13.214 -1.284 91 HH22 ARG 11 HH22 ARG 11 -5.176 -13.946 -1.569 92 H ARG 12 HN ARG 12 -1.353 -8.406 2.965 93 HA ARG 12 HA ARG 12 -3.407 -8.348 4.867 94 HB2 ARG 12 HB2 ARG 12 -0.462 -8.255 5.456 95 HB3 ARG 12 HB1 ARG 12 -1.714 -8.769 6.572 96 HG2 ARG 12 HG2 ARG 12 -2.228 -10.653 5.023 97 HG3 ARG 12 HG1 ARG 12 -0.825 -10.173 4.065 98 HD2 ARG 12 HD2 ARG 12 -0.839 -11.069 6.942 99 HD3 ARG 12 HD1 ARG 12 -0.217 -11.968 5.562 100 HE ARG 12 HE ARG 12 1.087 -9.435 5.859 101 HH11 ARG 12 HH11 ARG 12 1.147 -12.782 6.999 102 HH12 ARG 12 HH12 ARG 12 2.686 -12.636 7.720 103 HH21 ARG 12 HH21 ARG 12 3.097 -9.247 6.785 104 HH22 ARG 12 HH22 ARG 12 3.890 -10.542 7.560 105 H ALA 13 HN ALA 13 -0.657 -6.138 4.527 106 HA ALA 13 HA ALA 13 -1.382 -4.470 6.704 107 HB1 ALA 13 HB1 ALA 13 0.377 -3.820 4.340 108 HB2 ALA 13 HB2 ALA 13 0.909 -4.587 5.836 109 HB3 ALA 13 HB3 ALA 13 0.309 -2.929 5.860 110 H LEU 14 HN LEU 14 -2.003 -4.302 3.231 111 HA LEU 14 HA LEU 14 -3.287 -1.841 3.226 112 HB2 LEU 14 HB2 LEU 14 -3.191 -4.238 1.445 113 HB3 LEU 14 HB1 LEU 14 -4.317 -2.952 1.101 114 HG LEU 14 HG LEU 14 -2.128 -3.001 -0.150 115 HD11 LEU 14 HD11 LEU 14 -1.891 -0.518 -0.094 116 HD12 LEU 14 HD12 LEU 14 -2.885 -0.502 1.365 117 HD13 LEU 14 HD13 LEU 14 -3.575 -1.041 -0.168 118 HD21 LEU 14 HD21 LEU 14 -0.567 -3.385 1.651 119 HD22 LEU 14 HD22 LEU 14 -1.043 -1.874 2.427 120 HD23 LEU 14 HD23 LEU 14 -0.205 -1.844 0.875 121 H VAL 15 HN VAL 15 -4.588 -5.169 3.405 122 HA VAL 15 HA VAL 15 -7.271 -4.305 3.446 123 HB VAL 15 HB VAL 15 -6.472 -6.588 2.630 124 HG11 VAL 15 HG11 VAL 15 -6.434 -8.440 4.179 125 HG12 VAL 15 HG12 VAL 15 -6.511 -7.307 5.533 126 HG13 VAL 15 HG13 VAL 15 -5.116 -7.299 4.449 127 HG21 VAL 15 HG21 VAL 15 -8.544 -7.740 3.266 128 HG22 VAL 15 HG22 VAL 15 -8.827 -6.067 2.784 129 HG23 VAL 15 HG23 VAL 15 -8.840 -6.505 4.492 130 H GLU 16 HN GLU 16 -5.014 -5.049 6.040 131 HA GLU 16 HA GLU 16 -6.971 -5.065 8.086 132 HB2 GLU 16 HB2 GLU 16 -5.177 -4.796 9.644 133 HB3 GLU 16 HB1 GLU 16 -4.605 -5.859 8.362 134 HG2 GLU 16 HG2 GLU 16 -3.398 -4.079 7.355 135 HG3 GLU 16 HG1 GLU 16 -4.218 -2.973 8.476 136 H SER 17 HN SER 17 -5.501 -2.502 6.334 137 HA SER 17 HA SER 17 -6.265 -0.494 8.239 138 HB2 SER 17 HB2 SER 17 -5.216 -0.168 5.422 139 HB3 SER 17 HB1 SER 17 -5.248 1.058 6.690 140 HG SER 17 HG SER 17 -3.511 -1.099 6.336 141 H ALA 18 HN ALA 18 -7.089 -0.982 4.775 142 HA ALA 18 HA ALA 18 -9.450 0.680 5.168 143 HB1 ALA 18 HB1 ALA 18 -9.601 0.847 2.778 144 HB2 ALA 18 HB2 ALA 18 -8.340 -0.372 2.583 145 HB3 ALA 18 HB3 ALA 18 -7.953 1.192 3.302 146 H GLY 19 HN GLY 19 -8.707 -2.621 4.288 147 HA2 GLY 19 HA2 GLY 19 -11.373 -3.117 3.297 148 HA3 GLY 19 HA1 GLY 19 -10.036 -4.246 3.341 149 H GLU 20 HN GLU 20 -12.359 -2.610 5.396 150 HA GLU 20 HA GLU 20 -12.169 -4.471 7.538 151 HB2 GLU 20 HB2 GLU 20 -14.310 -3.531 8.315 152 HB3 GLU 20 HB1 GLU 20 -13.196 -2.253 7.852 153 HG2 GLU 20 HG2 GLU 20 -14.381 -1.954 5.753 154 HG3 GLU 20 HG1 GLU 20 -15.462 -3.284 6.159 155 H THR 21 HN THR 21 -13.604 -6.261 8.012 156 HA THR 21 HA THR 21 -14.339 -7.585 5.614 157 HB THR 21 HB THR 21 -15.045 -9.442 7.352 158 HG1 THR 21 HG1 THR 21 -14.822 -8.027 9.188 159 HG21 THR 21 HG21 THR 21 -13.172 -9.589 5.778 160 HG22 THR 21 HG22 THR 21 -12.705 -10.212 7.362 161 HG23 THR 21 HG23 THR 21 -12.182 -8.605 6.857 162 H ASP 22 HN ASP 22 -15.873 -5.671 5.440 163 HA ASP 22 HA ASP 22 -18.569 -6.167 6.405 164 HB2 ASP 22 HB2 ASP 22 -17.803 -3.847 5.907 165 HB3 ASP 22 HB1 ASP 22 -17.543 -4.303 4.228 166 H GLY 23 HN GLY 23 -16.536 -6.759 3.693 167 HA2 GLY 23 HA2 GLY 23 -18.167 -8.870 2.721 168 HA3 GLY 23 HA1 GLY 23 -18.067 -7.482 1.630 169 H THR 24 HN THR 24 -16.925 -9.038 0.235 170 HA THR 24 HA THR 24 -14.244 -9.731 1.118 171 HB THR 24 HB THR 24 -14.114 -10.870 -1.173 172 HG1 THR 24 HG1 THR 24 -16.584 -9.703 -1.374 173 HG21 THR 24 HG21 THR 24 -16.223 -11.791 0.783 174 HG22 THR 24 HG22 THR 24 -14.494 -12.124 0.884 175 HG23 THR 24 HG23 THR 24 -15.447 -12.802 -0.435 176 H ASP 25 HN ASP 25 -14.837 -6.989 0.736 177 HA ASP 25 HA ASP 25 -13.793 -6.096 -1.759 178 HB2 ASP 25 HB2 ASP 25 -15.279 -4.650 -0.422 179 HB3 ASP 25 HB1 ASP 25 -14.055 -4.569 0.845 180 H LEU 26 HN LEU 26 -11.806 -5.851 -2.369 181 HA LEU 26 HA LEU 26 -9.575 -5.544 -2.407 182 HB2 LEU 26 HB2 LEU 26 -9.985 -3.840 -0.649 183 HB3 LEU 26 HB1 LEU 26 -9.843 -5.075 0.574 184 HG LEU 26 HG LEU 26 -7.456 -5.345 -0.014 185 HD11 LEU 26 HD11 LEU 26 -7.978 -2.994 -1.830 186 HD12 LEU 26 HD12 LEU 26 -7.586 -4.632 -2.354 187 HD13 LEU 26 HD13 LEU 26 -6.398 -3.686 -1.459 188 HD21 LEU 26 HD21 LEU 26 -6.743 -3.287 1.003 189 HD22 LEU 26 HD22 LEU 26 -8.273 -3.812 1.738 190 HD23 LEU 26 HD23 LEU 26 -8.261 -2.515 0.554 191 H SER 27 HN SER 27 -11.163 -7.983 -1.218 192 HA SER 27 HA SER 27 -8.903 -9.521 -0.239 193 HB2 SER 27 HB2 SER 27 -11.824 -10.261 -0.377 194 HB3 SER 27 HB1 SER 27 -10.556 -11.108 0.518 195 HG SER 27 HG SER 27 -11.099 -8.369 0.997 196 H GLY 28 HN GLY 28 -7.817 -9.745 -2.150 197 HA2 GLY 28 HA2 GLY 28 -7.960 -11.970 -3.609 198 HA3 GLY 28 HA1 GLY 28 -9.061 -10.892 -4.478 199 H ASP 29 HN ASP 29 -8.028 -10.065 -6.166 200 HA ASP 29 HA ASP 29 -5.261 -9.222 -5.773 201 HB2 ASP 29 HB2 ASP 29 -5.561 -10.535 -7.789 202 HB3 ASP 29 HB1 ASP 29 -6.884 -9.495 -8.314 203 H PHE 30 HN PHE 30 -4.633 -7.182 -6.291 204 HA PHE 30 HA PHE 30 -6.668 -5.115 -6.534 205 HB2 PHE 30 HB2 PHE 30 -6.020 -3.950 -4.479 206 HB3 PHE 30 HB1 PHE 30 -6.638 -5.555 -4.126 207 HD1 PHE 30 HD1 PHE 30 -4.713 -7.425 -3.924 208 HD2 PHE 30 HD2 PHE 30 -4.134 -3.246 -3.397 209 HE1 PHE 30 HE1 PHE 30 -2.690 -7.873 -2.610 210 HE2 PHE 30 HE2 PHE 30 -2.105 -3.692 -2.086 211 HZ PHE 30 HZ PHE 30 -1.380 -6.006 -1.695 212 H LEU 31 HN LEU 31 -3.653 -6.273 -7.319 213 HA LEU 31 HA LEU 31 -1.975 -4.069 -7.066 214 HB2 LEU 31 HB2 LEU 31 -1.847 -6.336 -9.032 215 HB3 LEU 31 HB1 LEU 31 -0.578 -5.151 -8.811 216 HG LEU 31 HG LEU 31 -1.547 -7.123 -6.741 217 HD11 LEU 31 HD11 LEU 31 0.665 -8.111 -6.992 218 HD12 LEU 31 HD12 LEU 31 1.043 -6.950 -8.265 219 HD13 LEU 31 HD13 LEU 31 -0.230 -8.146 -8.511 220 HD21 LEU 31 HD21 LEU 31 0.671 -5.077 -6.577 221 HD22 LEU 31 HD22 LEU 31 0.295 -6.294 -5.358 222 HD23 LEU 31 HD23 LEU 31 -0.863 -5.012 -5.708 223 H ASP 32 HN ASP 32 -4.275 -4.779 -9.565 224 HA ASP 32 HA ASP 32 -3.275 -2.588 -11.224 225 HB2 ASP 32 HB2 ASP 32 -3.884 -4.833 -12.196 226 HB3 ASP 32 HB1 ASP 32 -5.559 -4.494 -11.797 227 H LEU 33 HN LEU 33 -5.451 -2.984 -8.751 228 HA LEU 33 HA LEU 33 -7.478 -1.143 -9.755 229 HB2 LEU 33 HB2 LEU 33 -7.205 -2.488 -7.061 230 HB3 LEU 33 HB1 LEU 33 -8.597 -1.578 -7.615 231 HG LEU 33 HG LEU 33 -7.632 -4.204 -8.755 232 HD11 LEU 33 HD11 LEU 33 -10.056 -3.545 -7.097 233 HD12 LEU 33 HD12 LEU 33 -8.641 -4.452 -6.568 234 HD13 LEU 33 HD13 LEU 33 -9.692 -5.111 -7.822 235 HD21 LEU 33 HD21 LEU 33 -10.056 -2.551 -9.462 236 HD22 LEU 33 HD22 LEU 33 -9.687 -4.159 -10.082 237 HD23 LEU 33 HD23 LEU 33 -8.636 -2.800 -10.480 238 H ARG 34 HN ARG 34 -7.718 1.027 -8.936 239 HA ARG 34 HA ARG 34 -5.180 1.985 -7.944 240 HB2 ARG 34 HB2 ARG 34 -7.601 3.549 -8.894 241 HB3 ARG 34 HB1 ARG 34 -6.078 4.253 -8.391 242 HG2 ARG 34 HG2 ARG 34 -6.019 4.280 -10.754 243 HG3 ARG 34 HG1 ARG 34 -5.015 2.915 -10.249 244 HD2 ARG 34 HD2 ARG 34 -6.842 1.377 -10.689 245 HD3 ARG 34 HD1 ARG 34 -7.872 2.719 -11.179 246 HE ARG 34 HE ARG 34 -5.755 2.943 -12.815 247 HH11 ARG 34 HH11 ARG 34 -7.928 0.229 -12.006 248 HH12 ARG 34 HH12 ARG 34 -7.765 -0.553 -13.491 249 HH21 ARG 34 HH21 ARG 34 -5.552 1.837 -14.936 250 HH22 ARG 34 HH22 ARG 34 -6.363 0.349 -15.140 251 H PHE 35 HN PHE 35 -4.921 3.082 -6.069 252 HA PHE 35 HA PHE 35 -6.301 2.276 -3.832 253 HB2 PHE 35 HB2 PHE 35 -4.725 4.821 -4.225 254 HB3 PHE 35 HB1 PHE 35 -5.357 4.319 -2.664 255 HD1 PHE 35 HD1 PHE 35 -4.746 1.743 -2.119 256 HD2 PHE 35 HD2 PHE 35 -2.518 4.358 -4.616 257 HE1 PHE 35 HE1 PHE 35 -2.727 0.408 -1.708 258 HE2 PHE 35 HE2 PHE 35 -0.494 3.027 -4.217 259 HZ PHE 35 HZ PHE 35 -0.593 1.048 -2.759 260 H GLU 36 HN GLU 36 -6.855 5.225 -5.688 261 HA GLU 36 HA GLU 36 -8.861 6.356 -4.178 262 HB2 GLU 36 HB2 GLU 36 -9.592 7.490 -6.239 263 HB3 GLU 36 HB1 GLU 36 -7.852 7.541 -6.022 264 HG2 GLU 36 HG2 GLU 36 -7.552 5.814 -7.686 265 HG3 GLU 36 HG1 GLU 36 -9.297 5.616 -7.834 266 H ASP 37 HN ASP 37 -9.160 3.683 -6.509 267 HA ASP 37 HA ASP 37 -12.034 3.803 -6.210 268 HB2 ASP 37 HB2 ASP 37 -12.208 2.068 -7.980 269 HB3 ASP 37 HB1 ASP 37 -11.303 3.476 -8.522 270 H ILE 38 HN ILE 38 -9.446 2.048 -4.897 271 HA ILE 38 HA ILE 38 -11.346 0.089 -3.911 272 HB ILE 38 HB ILE 38 -9.373 -1.099 -2.877 273 HG12 ILE 38 HG12 ILE 38 -7.805 0.827 -4.614 274 HG13 ILE 38 HG11 ILE 38 -7.786 0.786 -2.857 275 HG21 ILE 38 HG21 ILE 38 -10.420 -1.862 -4.889 276 HG22 ILE 38 HG22 ILE 38 -8.674 -2.087 -5.005 277 HG23 ILE 38 HG23 ILE 38 -9.454 -0.749 -5.855 278 HD11 ILE 38 HD11 ILE 38 -6.786 -1.389 -4.691 279 HD12 ILE 38 HD12 ILE 38 -6.759 -1.433 -2.926 280 HD13 ILE 38 HD13 ILE 38 -5.793 -0.239 -3.792 281 H GLY 39 HN GLY 39 -11.281 2.814 -3.054 282 HA2 GLY 39 HA2 GLY 39 -12.281 3.675 -1.130 283 HA3 GLY 39 HA1 GLY 39 -11.931 2.167 -0.317 284 H TYR 40 HN TYR 40 -9.210 3.682 -1.801 285 HA TYR 40 HA TYR 40 -8.321 4.410 0.879 286 HB2 TYR 40 HB2 TYR 40 -6.788 3.920 -1.652 287 HB3 TYR 40 HB1 TYR 40 -6.067 4.661 -0.232 288 HD1 TYR 40 HD1 TYR 40 -7.687 1.623 -1.507 289 HD2 TYR 40 HD2 TYR 40 -5.357 3.374 1.565 290 HE1 TYR 40 HE1 TYR 40 -7.207 -0.603 -0.625 291 HE2 TYR 40 HE2 TYR 40 -4.864 1.158 2.469 292 HH TYR 40 HH TYR 40 -5.854 -1.110 2.415 293 H ASP 41 HN ASP 41 -8.794 6.354 1.390 294 HA ASP 41 HA ASP 41 -8.502 8.515 -0.524 295 HB2 ASP 41 HB2 ASP 41 -8.838 8.787 2.475 296 HB3 ASP 41 HB1 ASP 41 -9.202 9.980 1.238 297 H SER 42 HN SER 42 -7.055 10.315 0.237 298 HA SER 42 HA SER 42 -4.393 9.667 0.369 299 HB2 SER 42 HB2 SER 42 -4.131 11.983 1.145 300 HB3 SER 42 HB1 SER 42 -5.291 11.853 -0.185 301 H LEU 43 HN LEU 43 -6.632 10.295 2.913 302 HA LEU 43 HA LEU 43 -5.040 10.372 5.184 303 HB2 LEU 43 HB2 LEU 43 -7.414 11.106 4.919 304 HB3 LEU 43 HB1 LEU 43 -7.901 9.436 4.908 305 HG LEU 43 HG LEU 43 -8.357 10.668 7.020 306 HD11 LEU 43 HD11 LEU 43 -6.536 8.303 7.296 307 HD12 LEU 43 HD12 LEU 43 -8.280 8.265 7.047 308 HD13 LEU 43 HD13 LEU 43 -7.617 8.927 8.541 309 HD21 LEU 43 HD21 LEU 43 -5.360 10.641 7.300 310 HD22 LEU 43 HD22 LEU 43 -6.503 11.085 8.567 311 HD23 LEU 43 HD23 LEU 43 -6.386 12.061 7.103 312 H ALA 44 HN ALA 44 -7.027 7.559 4.108 313 HA ALA 44 HA ALA 44 -5.833 5.755 5.914 314 HB1 ALA 44 HB1 ALA 44 -7.210 5.119 3.303 315 HB2 ALA 44 HB2 ALA 44 -8.013 5.344 4.858 316 HB3 ALA 44 HB3 ALA 44 -6.905 3.990 4.625 317 H LEU 45 HN LEU 45 -4.957 6.761 2.717 318 HA LEU 45 HA LEU 45 -3.172 4.682 2.124 319 HB2 LEU 45 HB2 LEU 45 -4.109 6.181 0.437 320 HB3 LEU 45 HB1 LEU 45 -3.221 7.524 1.123 321 HG LEU 45 HG LEU 45 -1.106 6.515 0.424 322 HD11 LEU 45 HD11 LEU 45 -1.745 4.155 0.629 323 HD12 LEU 45 HD12 LEU 45 -1.083 4.505 -0.964 324 HD13 LEU 45 HD13 LEU 45 -2.825 4.326 -0.754 325 HD21 LEU 45 HD21 LEU 45 -1.413 6.761 -1.976 326 HD22 LEU 45 HD22 LEU 45 -2.341 7.987 -1.099 327 HD23 LEU 45 HD23 LEU 45 -3.155 6.576 -1.773 328 H MET 46 HN MET 46 -2.675 7.830 3.708 329 HA MET 46 HA MET 46 0.131 7.472 3.877 330 HB2 MET 46 HB2 MET 46 0.229 9.424 5.318 331 HB3 MET 46 HB1 MET 46 -0.902 9.733 4.025 332 HG2 MET 46 HG2 MET 46 -1.926 10.665 5.912 333 HG3 MET 46 HG1 MET 46 -2.723 9.117 5.719 334 HE1 MET 46 HE1 MET 46 -0.028 11.141 7.754 335 HE2 MET 46 HE2 MET 46 0.891 9.750 7.177 336 HE3 MET 46 HE3 MET 46 0.538 9.922 8.897 337 H GLU 47 HN GLU 47 -2.503 6.635 6.032 338 HA GLU 47 HA GLU 47 -0.948 5.789 8.205 339 HB2 GLU 47 HB2 GLU 47 -3.677 5.032 7.234 340 HB3 GLU 47 HB1 GLU 47 -3.001 4.282 8.687 341 HG2 GLU 47 HG2 GLU 47 -2.787 6.586 9.625 342 HG3 GLU 47 HG1 GLU 47 -3.629 7.187 8.198 343 H THR 48 HN THR 48 -2.183 4.060 5.418 344 HA THR 48 HA THR 48 -1.203 1.495 5.966 345 HB THR 48 HB THR 48 -1.559 2.845 3.273 346 HG1 THR 48 HG1 THR 48 -3.498 2.910 4.437 347 HG21 THR 48 HG21 THR 48 -1.875 0.578 2.434 348 HG22 THR 48 HG22 THR 48 -1.602 -0.075 4.051 349 HG23 THR 48 HG23 THR 48 -0.291 0.732 3.192 350 H ALA 49 HN ALA 49 0.233 4.135 4.028 351 HA ALA 49 HA ALA 49 2.597 2.910 3.275 352 HB1 ALA 49 HB1 ALA 49 2.160 5.841 3.844 353 HB2 ALA 49 HB2 ALA 49 1.773 5.016 2.334 354 HB3 ALA 49 HB3 ALA 49 3.451 5.149 2.861 355 H ALA 50 HN ALA 50 1.971 4.912 6.149 356 HA ALA 50 HA ALA 50 4.567 5.032 7.150 357 HB1 ALA 50 HB1 ALA 50 2.726 6.442 7.941 358 HB2 ALA 50 HB2 ALA 50 3.576 5.663 9.274 359 HB3 ALA 50 HB3 ALA 50 2.010 5.046 8.746 360 H ARG 51 HN ARG 51 2.106 2.522 7.627 361 HA ARG 51 HA ARG 51 3.361 1.126 9.664 362 HB2 ARG 51 HB2 ARG 51 1.411 0.356 7.516 363 HB3 ARG 51 HB1 ARG 51 1.898 -0.703 8.828 364 HG2 ARG 51 HG2 ARG 51 0.997 0.847 10.456 365 HG3 ARG 51 HG1 ARG 51 0.597 1.982 9.169 366 HD2 ARG 51 HD2 ARG 51 -0.993 0.421 8.239 367 HD3 ARG 51 HD1 ARG 51 -0.538 -0.798 9.433 368 HE ARG 51 HE ARG 51 -1.326 1.606 10.678 369 HH11 ARG 51 HH11 ARG 51 -2.749 -1.124 8.966 370 HH12 ARG 51 HH12 ARG 51 -4.163 -1.178 9.908 371 HH21 ARG 51 HH21 ARG 51 -3.339 1.560 11.951 372 HH22 ARG 51 HH22 ARG 51 -4.499 0.353 11.587 373 H LEU 52 HN LEU 52 3.516 0.885 6.155 374 HA LEU 52 HA LEU 52 5.171 -1.423 6.100 375 HB2 LEU 52 HB2 LEU 52 4.690 0.705 4.024 376 HB3 LEU 52 HB1 LEU 52 5.555 -0.790 3.728 377 HG LEU 52 HG LEU 52 2.658 -0.630 4.567 378 HD11 LEU 52 HD11 LEU 52 3.876 -1.159 1.862 379 HD12 LEU 52 HD12 LEU 52 2.992 0.294 2.335 380 HD13 LEU 52 HD13 LEU 52 2.163 -1.262 2.263 381 HD21 LEU 52 HD21 LEU 52 3.759 -2.699 5.243 382 HD22 LEU 52 HD22 LEU 52 4.336 -2.940 3.596 383 HD23 LEU 52 HD23 LEU 52 2.608 -2.996 3.941 384 H GLU 53 HN GLU 53 5.749 2.029 6.049 385 HA GLU 53 HA GLU 53 8.491 2.071 5.560 386 HB2 GLU 53 HB2 GLU 53 6.838 3.896 7.284 387 HB3 GLU 53 HB1 GLU 53 8.497 4.207 6.805 388 HG2 GLU 53 HG2 GLU 53 7.826 4.258 4.491 389 HG3 GLU 53 HG1 GLU 53 6.156 3.933 4.947 390 H SER 54 HN SER 54 6.877 2.259 8.696 391 HA SER 54 HA SER 54 9.220 2.085 10.184 392 HB2 SER 54 HB2 SER 54 6.381 1.449 10.967 393 HB3 SER 54 HB1 SER 54 7.724 1.671 12.094 394 HG SER 54 HG SER 54 7.667 3.768 10.408 395 H ARG 55 HN ARG 55 6.962 -0.494 9.190 396 HA ARG 55 HA ARG 55 8.261 -2.430 10.794 397 HB2 ARG 55 HB2 ARG 55 5.908 -2.669 10.081 398 HB3 ARG 55 HB1 ARG 55 6.456 -2.942 8.430 399 HG2 ARG 55 HG2 ARG 55 7.648 -4.933 9.139 400 HG3 ARG 55 HG1 ARG 55 7.150 -4.651 10.806 401 HD2 ARG 55 HD2 ARG 55 4.790 -4.873 10.078 402 HD3 ARG 55 HD1 ARG 55 5.369 -5.275 8.459 403 HE ARG 55 HE ARG 55 6.637 -6.950 10.287 404 HH11 ARG 55 HH11 ARG 55 3.378 -6.458 8.946 405 HH12 ARG 55 HH12 ARG 55 2.835 -8.031 9.235 406 HH21 ARG 55 HH21 ARG 55 5.919 -9.139 10.707 407 HH22 ARG 55 HH22 ARG 55 4.358 -9.634 10.250 408 H TYR 56 HN TYR 56 8.658 -1.564 7.372 409 HA TYR 56 HA TYR 56 10.538 -3.780 7.188 410 HB2 TYR 56 HB2 TYR 56 9.175 -2.251 4.980 411 HB3 TYR 56 HB1 TYR 56 10.342 -3.558 4.729 412 HD1 TYR 56 HD2 TYR 56 9.802 -5.820 5.903 413 HD2 TYR 56 HD1 TYR 56 6.937 -2.763 5.192 414 HE1 TYR 56 HE2 TYR 56 8.003 -7.484 6.054 415 HE2 TYR 56 HE1 TYR 56 5.131 -4.410 5.333 416 HH TYR 56 HH TYR 56 5.376 -7.359 6.648 417 H GLY 57 HN GLY 57 10.779 -0.654 7.892 418 HA2 GLY 57 HA2 GLY 57 12.720 0.554 8.224 419 HA3 GLY 57 HA1 GLY 57 13.610 -0.722 7.410 420 H VAL 58 HN VAL 58 10.889 0.875 5.995 421 HA VAL 58 HA VAL 58 12.748 2.080 4.093 422 HB VAL 58 HB VAL 58 11.031 2.022 2.347 423 HG11 VAL 58 HG11 VAL 58 11.399 -0.662 3.639 424 HG12 VAL 58 HG12 VAL 58 12.493 0.110 2.486 425 HG13 VAL 58 HG13 VAL 58 10.873 -0.386 1.981 426 HG21 VAL 58 HG21 VAL 58 9.029 2.227 3.703 427 HG22 VAL 58 HG22 VAL 58 9.293 0.607 4.366 428 HG23 VAL 58 HG23 VAL 58 8.918 0.811 2.656 429 H SER 59 HN SER 59 11.682 4.042 2.940 430 HA SER 59 HA SER 59 9.957 5.496 4.741 431 HB2 SER 59 HB2 SER 59 11.426 7.551 4.391 432 HB3 SER 59 HB1 SER 59 12.103 6.307 5.441 433 HG SER 59 HG SER 59 12.986 5.592 3.170 434 H ILE 60 HN ILE 60 8.340 6.217 3.650 435 HA ILE 60 HA ILE 60 8.514 6.248 0.737 436 HB ILE 60 HB ILE 60 6.083 6.130 2.559 437 HG12 ILE 60 HG12 ILE 60 7.307 4.022 0.750 438 HG13 ILE 60 HG11 ILE 60 7.435 4.051 2.503 439 HG21 ILE 60 HG21 ILE 60 4.774 5.786 0.517 440 HG22 ILE 60 HG22 ILE 60 6.238 5.962 -0.452 441 HG23 ILE 60 HG23 ILE 60 5.630 7.336 0.472 442 HD11 ILE 60 HD11 ILE 60 5.014 3.754 2.672 443 HD12 ILE 60 HD12 ILE 60 5.774 2.447 1.762 444 HD13 ILE 60 HD13 ILE 60 4.900 3.725 0.912 445 HA PRO 61 HA PRO 61 8.482 10.698 1.324 446 HB2 PRO 61 HB2 PRO 61 8.808 10.753 -1.593 447 HB3 PRO 61 HB1 PRO 61 9.894 11.356 -0.339 448 HG2 PRO 61 HG2 PRO 61 10.499 9.189 -1.808 449 HG3 PRO 61 HG1 PRO 61 10.971 9.329 -0.103 450 HD2 PRO 61 HD2 PRO 61 8.672 7.843 -1.318 451 HD3 PRO 61 HD1 PRO 61 9.806 7.317 -0.052 452 H ASP 62 HN ASP 62 6.954 12.238 1.018 453 HA ASP 62 HA ASP 62 4.309 11.676 0.546 454 HB2 ASP 62 HB2 ASP 62 4.961 13.604 1.785 455 HB3 ASP 62 HB1 ASP 62 5.840 14.263 0.416 456 H ASP 63 HN ASP 63 6.673 12.921 -1.744 457 HA ASP 63 HA ASP 63 4.776 13.475 -3.816 458 HB2 ASP 63 HB2 ASP 63 7.778 13.212 -3.850 459 HB3 ASP 63 HB1 ASP 63 6.846 13.519 -5.307 460 H VAL 64 HN VAL 64 6.606 10.707 -2.890 461 HA VAL 64 HA VAL 64 6.088 9.283 -5.336 462 HB VAL 64 HB VAL 64 7.092 8.214 -2.675 463 HG11 VAL 64 HG11 VAL 64 7.202 7.023 -5.447 464 HG12 VAL 64 HG12 VAL 64 6.172 6.471 -4.127 465 HG13 VAL 64 HG13 VAL 64 7.925 6.326 -3.996 466 HG21 VAL 64 HG21 VAL 64 9.322 8.337 -3.697 467 HG22 VAL 64 HG22 VAL 64 8.571 9.926 -3.552 468 HG23 VAL 64 HG23 VAL 64 8.619 9.115 -5.116 469 H ALA 65 HN ALA 65 4.944 9.203 -1.987 470 HA ALA 65 HA ALA 65 2.985 7.217 -2.281 471 HB1 ALA 65 HB1 ALA 65 2.962 9.602 -0.432 472 HB2 ALA 65 HB2 ALA 65 3.743 8.056 -0.102 473 HB3 ALA 65 HB3 ALA 65 1.989 8.143 -0.258 474 H GLY 66 HN GLY 66 2.968 10.599 -3.114 475 HA2 GLY 66 HA2 GLY 66 0.133 10.645 -3.611 476 HA3 GLY 66 HA1 GLY 66 1.273 11.945 -3.910 477 H ARG 67 HN ARG 67 2.739 9.465 -5.387 478 HA ARG 67 HA ARG 67 1.386 10.093 -7.929 479 HB2 ARG 67 HB2 ARG 67 3.420 9.730 -9.079 480 HB3 ARG 67 HB1 ARG 67 3.903 10.578 -7.618 481 HG2 ARG 67 HG2 ARG 67 4.550 8.440 -6.607 482 HG3 ARG 67 HG1 ARG 67 4.071 7.606 -8.072 483 HD2 ARG 67 HD2 ARG 67 5.766 9.168 -9.237 484 HD3 ARG 67 HD1 ARG 67 6.395 9.429 -7.605 485 HE ARG 67 HE ARG 67 5.970 6.743 -8.609 486 HH11 ARG 67 HH11 ARG 67 8.332 9.160 -7.367 487 HH12 ARG 67 HH12 ARG 67 9.606 8.033 -7.359 488 HH21 ARG 67 HH21 ARG 67 7.765 5.294 -8.615 489 HH22 ARG 67 HH22 ARG 67 9.304 5.798 -8.086 490 H VAL 68 HN VAL 68 1.958 7.581 -5.688 491 HA VAL 68 HA VAL 68 1.686 5.467 -7.617 492 HB VAL 68 HB VAL 68 1.873 3.911 -5.668 493 HG11 VAL 68 HG11 VAL 68 4.016 6.018 -5.805 494 HG12 VAL 68 HG12 VAL 68 3.869 4.594 -6.838 495 HG13 VAL 68 HG13 VAL 68 4.207 4.403 -5.116 496 HG21 VAL 68 HG21 VAL 68 0.876 5.298 -3.908 497 HG22 VAL 68 HG22 VAL 68 2.227 6.427 -4.022 498 HG23 VAL 68 HG23 VAL 68 2.500 4.781 -3.455 499 H ASP 69 HN ASP 69 -0.183 5.166 -8.447 500 HA ASP 69 HA ASP 69 -2.589 5.500 -6.803 501 HB2 ASP 69 HB2 ASP 69 -2.292 5.135 -9.773 502 HB3 ASP 69 HB1 ASP 69 -3.839 5.132 -8.942 503 H THR 70 HN THR 70 -0.777 3.163 -8.569 504 HA THR 70 HA THR 70 -2.732 1.181 -7.730 505 HB THR 70 HB THR 70 -1.471 -0.372 -9.285 506 HG1 THR 70 HG1 THR 70 -0.194 2.083 -10.003 507 HG21 THR 70 HG21 THR 70 -2.693 2.104 -10.523 508 HG22 THR 70 HG22 THR 70 -3.573 0.679 -9.974 509 HG23 THR 70 HG23 THR 70 -2.462 0.558 -11.339 510 HA PRO 71 HA PRO 71 -0.134 -0.229 -4.427 511 HB2 PRO 71 HB2 PRO 71 -1.112 -2.923 -5.260 512 HB3 PRO 71 HB1 PRO 71 -1.144 -2.161 -3.661 513 HG2 PRO 71 HG2 PRO 71 -3.370 -2.331 -5.059 514 HG3 PRO 71 HG1 PRO 71 -2.984 -0.835 -4.189 515 HD2 PRO 71 HD2 PRO 71 -2.719 -1.452 -7.103 516 HD3 PRO 71 HD1 PRO 71 -3.325 0.022 -6.319 517 H ARG 72 HN ARG 72 -0.119 -1.673 -7.558 518 HA ARG 72 HA ARG 72 2.160 -3.229 -7.666 519 HB2 ARG 72 HB2 ARG 72 0.548 -2.888 -9.500 520 HB3 ARG 72 HB1 ARG 72 1.135 -1.249 -9.703 521 HG2 ARG 72 HG2 ARG 72 3.348 -2.165 -10.321 522 HG3 ARG 72 HG1 ARG 72 2.656 -3.788 -10.222 523 HD2 ARG 72 HD2 ARG 72 1.717 -1.567 -12.026 524 HD3 ARG 72 HD1 ARG 72 2.683 -2.950 -12.522 525 HE ARG 72 HE ARG 72 0.738 -4.354 -11.793 526 HH11 ARG 72 HH11 ARG 72 0.128 -0.987 -12.836 527 HH12 ARG 72 HH12 ARG 72 -1.429 -1.318 -13.373 528 HH21 ARG 72 HH21 ARG 72 -1.341 -4.772 -12.575 529 HH22 ARG 72 HH22 ARG 72 -2.311 -3.517 -13.253 530 H GLU 73 HN GLU 73 1.864 0.284 -8.154 531 HA GLU 73 HA GLU 73 4.600 0.872 -8.572 532 HB2 GLU 73 HB2 GLU 73 2.380 2.654 -7.576 533 HB3 GLU 73 HB1 GLU 73 3.911 3.189 -8.250 534 HG2 GLU 73 HG2 GLU 73 3.314 2.253 -10.399 535 HG3 GLU 73 HG1 GLU 73 1.807 1.632 -9.722 536 H LEU 74 HN LEU 74 2.525 0.882 -5.774 537 HA LEU 74 HA LEU 74 4.343 2.085 -3.968 538 HB2 LEU 74 HB2 LEU 74 1.821 1.907 -3.724 539 HB3 LEU 74 HB1 LEU 74 2.035 0.226 -3.317 540 HG LEU 74 HG LEU 74 1.570 1.711 -1.376 541 HD11 LEU 74 HD11 LEU 74 4.248 0.354 -1.261 542 HD12 LEU 74 HD12 LEU 74 2.676 -0.394 -0.975 543 HD13 LEU 74 HD13 LEU 74 3.276 0.845 0.128 544 HD21 LEU 74 HD21 LEU 74 2.745 3.699 -2.106 545 HD22 LEU 74 HD22 LEU 74 4.288 2.857 -1.986 546 HD23 LEU 74 HD23 LEU 74 3.345 3.181 -0.530 547 H LEU 75 HN LEU 75 3.474 -1.300 -4.616 548 HA LEU 75 HA LEU 75 5.189 -2.597 -2.840 549 HB2 LEU 75 HB2 LEU 75 3.379 -3.683 -4.133 550 HB3 LEU 75 HB1 LEU 75 4.315 -3.478 -5.599 551 HG LEU 75 HG LEU 75 6.040 -4.994 -4.676 552 HD11 LEU 75 HD11 LEU 75 4.060 -5.379 -2.442 553 HD12 LEU 75 HD12 LEU 75 5.641 -4.612 -2.313 554 HD13 LEU 75 HD13 LEU 75 5.525 -6.330 -2.700 555 HD21 LEU 75 HD21 LEU 75 3.245 -6.130 -4.746 556 HD22 LEU 75 HD22 LEU 75 4.739 -7.049 -4.925 557 HD23 LEU 75 HD23 LEU 75 4.288 -5.855 -6.143 558 H ASP 76 HN ASP 76 5.677 -1.428 -6.094 559 HA ASP 76 HA ASP 76 8.247 -2.335 -6.654 560 HB2 ASP 76 HB2 ASP 76 6.847 -1.293 -8.345 561 HB3 ASP 76 HB1 ASP 76 6.890 0.235 -7.480 562 H LEU 77 HN LEU 77 7.193 0.580 -5.000 563 HA LEU 77 HA LEU 77 9.736 1.728 -4.616 564 HB2 LEU 77 HB2 LEU 77 7.736 3.045 -4.356 565 HB3 LEU 77 HB1 LEU 77 7.184 2.050 -3.017 566 HG LEU 77 HG LEU 77 9.162 2.844 -1.799 567 HD11 LEU 77 HD11 LEU 77 10.278 4.904 -2.590 568 HD12 LEU 77 HD12 LEU 77 9.405 4.761 -4.116 569 HD13 LEU 77 HD13 LEU 77 10.573 3.523 -3.645 570 HD21 LEU 77 HD21 LEU 77 8.204 5.055 -1.292 571 HD22 LEU 77 HD22 LEU 77 6.985 3.785 -1.393 572 HD23 LEU 77 HD23 LEU 77 7.196 4.916 -2.731 573 H ILE 78 HN ILE 78 7.813 -0.452 -2.649 574 HA ILE 78 HA ILE 78 9.495 -0.478 -0.365 575 HB ILE 78 HB ILE 78 7.638 -2.670 -1.346 576 HG12 ILE 78 HG12 ILE 78 6.404 -0.571 -1.086 577 HG13 ILE 78 HG11 ILE 78 5.955 -1.702 0.180 578 HG21 ILE 78 HG21 ILE 78 8.756 -2.143 1.406 579 HG22 ILE 78 HG22 ILE 78 9.187 -3.479 0.335 580 HG23 ILE 78 HG23 ILE 78 7.562 -3.379 1.010 581 HD11 ILE 78 HD11 ILE 78 7.390 -0.495 1.757 582 HD12 ILE 78 HD12 ILE 78 6.170 0.560 1.043 583 HD13 ILE 78 HD13 ILE 78 7.839 0.629 0.474 584 H ASN 79 HN ASN 79 9.073 -2.873 -2.959 585 HA ASN 79 HA ASN 79 11.268 -4.449 -2.166 586 HB2 ASN 79 HB2 ASN 79 9.741 -4.360 -4.768 587 HB3 ASN 79 HB1 ASN 79 11.067 -5.485 -4.482 588 HD21 ASN 79 HD21 ASN 79 8.217 -5.972 -4.949 589 HD22 ASN 79 HD22 ASN 79 7.677 -6.901 -3.587 590 H GLY 80 HN GLY 80 11.056 -1.713 -4.323 591 HA2 GLY 80 HA2 GLY 80 13.617 -1.930 -5.470 592 HA3 GLY 80 HA1 GLY 80 12.691 -0.444 -5.288 593 H ALA 81 HN ALA 81 12.477 -0.463 -2.468 594 HA ALA 81 HA ALA 81 15.021 0.585 -1.728 595 HB1 ALA 81 HB1 ALA 81 14.006 0.985 0.456 596 HB2 ALA 81 HB2 ALA 81 12.620 -0.010 0.006 597 HB3 ALA 81 HB3 ALA 81 12.926 1.510 -0.836 598 H LEU 82 HN LEU 82 13.349 -2.435 -1.226 599 HA LEU 82 HA LEU 82 15.189 -3.520 0.658 600 HB2 LEU 82 HB2 LEU 82 13.390 -4.984 -1.289 601 HB3 LEU 82 HB1 LEU 82 14.224 -5.718 0.061 602 HG LEU 82 HG LEU 82 12.020 -3.663 0.250 603 HD11 LEU 82 HD11 LEU 82 11.211 -5.833 -0.463 604 HD12 LEU 82 HD12 LEU 82 10.710 -5.497 1.193 605 HD13 LEU 82 HD13 LEU 82 12.044 -6.606 0.885 606 HD21 LEU 82 HD21 LEU 82 13.483 -5.152 2.432 607 HD22 LEU 82 HD22 LEU 82 12.087 -4.099 2.658 608 HD23 LEU 82 HD23 LEU 82 13.615 -3.428 2.082 609 H ALA 83 HN ALA 83 14.946 -3.633 -2.847 610 HA ALA 83 HA ALA 83 17.211 -5.215 -3.367 611 HB1 ALA 83 HB1 ALA 83 15.990 -3.048 -5.085 612 HB2 ALA 83 HB2 ALA 83 15.487 -4.739 -5.045 613 HB3 ALA 83 HB3 ALA 83 17.095 -4.310 -5.631 614 H GLU 84 HN GLU 84 16.796 -1.820 -2.738 615 HA GLU 84 HA GLU 84 19.459 -0.980 -3.306 616 HB2 GLU 84 HB2 GLU 84 17.569 0.598 -3.209 617 HB3 GLU 84 HB1 GLU 84 17.327 0.222 -1.512 618 HG2 GLU 84 HG2 GLU 84 19.448 1.228 -0.954 619 HG3 GLU 84 HG1 GLU 84 19.778 1.527 -2.661 620 H ALA 85 HN ALA 85 17.719 -1.957 -0.422 621 HA ALA 85 HA ALA 85 18.277 -3.129 1.364 622 HB1 ALA 85 HB1 ALA 85 21.125 -3.224 0.406 623 HB2 ALA 85 HB2 ALA 85 19.872 -4.393 -0.014 624 HB3 ALA 85 HB3 ALA 85 20.394 -4.223 1.664 625 H ALA 86 HN ALA 86 18.601 -2.706 3.347 626 HA ALA 86 HA ALA 86 19.938 -0.203 4.036 627 HB1 ALA 86 HB1 ALA 86 17.593 -0.371 4.754 628 HB2 ALA 86 HB2 ALA 86 18.666 -0.353 6.153 629 HB3 ALA 86 HB3 ALA 86 17.955 -1.872 5.605 630 H28 SXH 87 H28B SXH 87 -3.917 12.633 3.138 631 H28A SXH 87 H28A SXH 87 -4.580 13.954 4.099 632 H30 SXH 87 H30C SXH 87 -1.872 12.557 4.222 633 H30A SXH 87 H30A SXH 87 -2.492 13.750 5.360 634 H30B SXH 87 H30B SXH 87 -0.931 14.006 4.579 635 H31 SXH 87 H31A SXH 87 -2.362 14.565 1.201 636 H31A SXH 87 H31C SXH 87 -0.852 14.554 2.114 637 H31B SXH 87 H31B SXH 87 -1.728 13.048 1.838 638 H32 SXH 87 H32A SXH 87 -3.040 16.001 4.665 639 HO33 SXH 87 H33A SXH 87 -3.037 17.036 2.120 640 HN36 SXH 87 H36A SXH 87 -0.939 15.997 5.371 641 H37 SXH 87 H37A SXH 87 1.430 16.520 4.051 642 H37A SXH 87 H37B SXH 87 0.727 18.100 4.417 643 H38 SXH 87 H38A SXH 87 2.331 17.339 6.128 644 H38A SXH 87 H38B SXH 87 0.717 17.597 6.777 645 HN41 SXH 87 H41A SXH 87 1.352 14.828 4.903 646 H42 SXH 87 H42A SXH 87 1.968 13.027 7.070 647 H42A SXH 87 H42B SXH 87 0.357 12.854 6.389 648 H43 SXH 87 H43A SXH 87 1.885 11.304 5.348 649 H43A SXH 87 H43B SXH 87 2.937 12.661 4.871 650 H2 SXH 87 H2A SXH 87 2.001 10.532 0.734 651 H2A SXH 87 H2B SXH 87 1.148 12.074 0.707 652 H3 SXH 87 H3A SXH 87 -0.742 11.151 1.804 653 H3A SXH 87 H3B SXH 87 0.132 9.673 2.214 654 H4 SXH 87 H4B SXH 87 0.265 9.082 -0.159 655 H4A SXH 87 H4A SXH 87 -1.402 9.272 0.368 656 H5 SXH 87 H5A SXH 87 -0.917 10.268 -1.879 657 H5A SXH 87 H5B SXH 87 0.174 11.415 -1.078 658 H6 SXH 87 H6C SXH 87 -2.758 11.067 -0.522 659 H6A SXH 87 H6A SXH 87 -2.035 12.382 -1.457 660 H6B SXH 87 H6B SXH 87 -1.681 12.218 0.269 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 16.079 -17.117 0.996 2 H2 MET 1 HT2 MET 1 17.435 -18.050 0.572 3 H3 MET 1 HT3 MET 1 16.371 -17.500 -0.629 4 HA MET 1 HA MET 1 18.089 -15.791 1.026 5 HB2 MET 1 HB2 MET 1 19.355 -17.081 -0.626 6 HB3 MET 1 HB1 MET 1 18.219 -16.631 -1.882 7 HG2 MET 1 HG2 MET 1 18.918 -14.276 -1.620 8 HG3 MET 1 HG1 MET 1 20.113 -14.793 -0.432 9 HE1 MET 1 HE1 MET 1 22.314 -13.886 -3.558 10 HE2 MET 1 HE2 MET 1 22.023 -13.588 -1.845 11 HE3 MET 1 HE3 MET 1 20.833 -13.078 -3.042 12 H ALA 2 HN ALA 2 17.274 -13.858 1.258 13 HA ALA 2 HA ALA 2 16.121 -11.973 1.058 14 HB1 ALA 2 HB1 ALA 2 16.023 -10.879 -1.100 15 HB2 ALA 2 HB2 ALA 2 16.330 -12.411 -1.920 16 HB3 ALA 2 HB3 ALA 2 17.579 -11.689 -0.906 17 H THR 3 HN THR 3 14.270 -12.842 2.040 18 HA THR 3 HA THR 3 12.062 -13.666 0.361 19 HB THR 3 HB THR 3 12.059 -12.885 3.257 20 HG1 THR 3 HG1 THR 3 13.044 -14.705 3.658 21 HG21 THR 3 HG21 THR 3 10.249 -14.699 1.652 22 HG22 THR 3 HG22 THR 3 9.842 -13.084 2.236 23 HG23 THR 3 HG23 THR 3 10.107 -14.396 3.385 24 H LEU 4 HN LEU 4 11.243 -12.092 -0.857 25 HA LEU 4 HA LEU 4 11.278 -9.329 0.032 26 HB2 LEU 4 HB2 LEU 4 10.634 -10.618 -2.594 27 HB3 LEU 4 HB1 LEU 4 10.496 -8.896 -2.303 28 HG LEU 4 HG LEU 4 13.070 -10.437 -1.995 29 HD11 LEU 4 HD11 LEU 4 12.082 -8.758 -4.294 30 HD12 LEU 4 HD12 LEU 4 12.291 -10.509 -4.307 31 HD13 LEU 4 HD13 LEU 4 13.695 -9.453 -4.138 32 HD21 LEU 4 HD21 LEU 4 12.438 -7.491 -2.139 33 HD22 LEU 4 HD22 LEU 4 14.061 -8.184 -2.062 34 HD23 LEU 4 HD23 LEU 4 12.952 -8.371 -0.701 35 H LEU 5 HN LEU 5 9.418 -7.981 -0.539 36 HA LEU 5 HA LEU 5 7.015 -8.956 0.720 37 HB2 LEU 5 HB2 LEU 5 8.011 -6.644 0.984 38 HB3 LEU 5 HB1 LEU 5 7.580 -6.333 -0.683 39 HG LEU 5 HG LEU 5 5.171 -6.772 0.007 40 HD11 LEU 5 HD11 LEU 5 5.614 -7.905 2.091 41 HD12 LEU 5 HD12 LEU 5 4.650 -6.453 2.365 42 HD13 LEU 5 HD13 LEU 5 6.375 -6.454 2.739 43 HD21 LEU 5 HD21 LEU 5 6.617 -4.415 1.209 44 HD22 LEU 5 HD22 LEU 5 4.887 -4.506 0.884 45 HD23 LEU 5 HD23 LEU 5 6.039 -4.536 -0.450 46 H THR 6 HN THR 6 5.418 -9.938 -0.487 47 HA THR 6 HA THR 6 5.337 -9.197 -3.286 48 HB THR 6 HB THR 6 4.287 -11.593 -3.571 49 HG1 THR 6 HG1 THR 6 4.909 -11.716 -1.021 50 HG21 THR 6 HG21 THR 6 7.252 -11.133 -3.207 51 HG22 THR 6 HG22 THR 6 6.326 -10.816 -4.675 52 HG23 THR 6 HG23 THR 6 6.525 -12.471 -4.098 53 H THR 7 HN THR 7 2.985 -10.514 -4.060 54 HA THR 7 HA THR 7 1.128 -8.572 -3.846 55 HB THR 7 HB THR 7 0.545 -11.504 -4.160 56 HG1 THR 7 HG1 THR 7 1.147 -10.536 -6.499 57 HG21 THR 7 HG21 THR 7 -1.045 -10.654 -5.843 58 HG22 THR 7 HG22 THR 7 -0.519 -9.004 -5.511 59 HG23 THR 7 HG23 THR 7 -1.362 -9.926 -4.268 60 H ASP 8 HN ASP 8 1.137 -11.670 -2.057 61 HA ASP 8 HA ASP 8 -1.238 -11.039 -0.624 62 HB2 ASP 8 HB2 ASP 8 -0.618 -13.353 -1.100 63 HB3 ASP 8 HB1 ASP 8 0.808 -13.192 -0.079 64 H ASP 9 HN ASP 9 2.142 -10.676 0.082 65 HA ASP 9 HA ASP 9 1.930 -10.127 2.872 66 HB2 ASP 9 HB2 ASP 9 3.969 -9.014 0.937 67 HB3 ASP 9 HB1 ASP 9 4.118 -9.085 2.682 68 H LEU 10 HN LEU 10 1.980 -8.152 -0.023 69 HA LEU 10 HA LEU 10 1.760 -5.635 1.222 70 HB2 LEU 10 HB2 LEU 10 2.486 -6.099 -1.143 71 HB3 LEU 10 HB1 LEU 10 0.815 -6.437 -1.536 72 HG LEU 10 HG LEU 10 0.266 -4.087 -0.856 73 HD11 LEU 10 HD11 LEU 10 2.099 -2.477 -0.736 74 HD12 LEU 10 HD12 LEU 10 3.264 -3.797 -0.823 75 HD13 LEU 10 HD13 LEU 10 2.186 -3.664 0.566 76 HD21 LEU 10 HD21 LEU 10 0.516 -4.714 -3.200 77 HD22 LEU 10 HD22 LEU 10 2.254 -4.431 -3.102 78 HD23 LEU 10 HD23 LEU 10 1.129 -3.087 -2.918 79 H ARG 11 HN ARG 11 -0.568 -7.907 -0.117 80 HA ARG 11 HA ARG 11 -2.984 -6.631 0.129 81 HB2 ARG 11 HB2 ARG 11 -2.770 -8.818 -0.844 82 HB3 ARG 11 HB1 ARG 11 -2.260 -9.497 0.689 83 HG2 ARG 11 HG2 ARG 11 -4.488 -9.095 1.606 84 HG3 ARG 11 HG1 ARG 11 -4.996 -8.410 0.056 85 HD2 ARG 11 HD2 ARG 11 -3.954 -11.210 0.469 86 HD3 ARG 11 HD1 ARG 11 -5.655 -10.776 0.299 87 HE ARG 11 HE ARG 11 -4.933 -9.836 -1.928 88 HH11 ARG 11 HH11 ARG 11 -3.241 -12.662 -0.515 89 HH12 ARG 11 HH12 ARG 11 -2.921 -13.332 -2.043 90 HH21 ARG 11 HH21 ARG 11 -4.401 -10.759 -3.943 91 HH22 ARG 11 HH22 ARG 11 -3.515 -12.203 -4.048 92 H ARG 12 HN ARG 12 -1.364 -8.559 2.571 93 HA ARG 12 HA ARG 12 -3.172 -8.242 4.659 94 HB2 ARG 12 HB2 ARG 12 -0.189 -8.677 4.739 95 HB3 ARG 12 HB1 ARG 12 -1.250 -8.824 6.135 96 HG2 ARG 12 HG2 ARG 12 -2.426 -10.641 5.131 97 HG3 ARG 12 HG1 ARG 12 -1.554 -10.423 3.614 98 HD2 ARG 12 HD2 ARG 12 -0.690 -12.309 4.912 99 HD3 ARG 12 HD1 ARG 12 0.519 -11.048 4.685 100 HE ARG 12 HE ARG 12 -0.159 -10.326 7.020 101 HH11 ARG 12 HH11 ARG 12 -0.492 -13.723 6.027 102 HH12 ARG 12 HH12 ARG 12 -0.144 -14.330 7.574 103 HH21 ARG 12 HH21 ARG 12 0.420 -11.166 9.064 104 HH22 ARG 12 HH22 ARG 12 0.453 -12.851 9.329 105 H ALA 13 HN ALA 13 -0.344 -6.293 3.844 106 HA ALA 13 HA ALA 13 -0.524 -4.546 6.055 107 HB1 ALA 13 HB1 ALA 13 0.675 -4.004 3.334 108 HB2 ALA 13 HB2 ALA 13 1.512 -4.756 4.693 109 HB3 ALA 13 HB3 ALA 13 0.978 -3.079 4.805 110 H LEU 14 HN LEU 14 -1.716 -4.206 2.688 111 HA LEU 14 HA LEU 14 -2.864 -1.713 3.003 112 HB2 LEU 14 HB2 LEU 14 -3.120 -3.982 1.108 113 HB3 LEU 14 HB1 LEU 14 -4.267 -2.670 1.016 114 HG LEU 14 HG LEU 14 -2.340 -2.635 -0.541 115 HD11 LEU 14 HD11 LEU 14 -3.696 -0.639 -0.098 116 HD12 LEU 14 HD12 LEU 14 -2.009 -0.169 -0.320 117 HD13 LEU 14 HD13 LEU 14 -2.693 -0.255 1.302 118 HD21 LEU 14 HD21 LEU 14 -0.522 -3.250 0.931 119 HD22 LEU 14 HD22 LEU 14 -0.779 -1.799 1.900 120 HD23 LEU 14 HD23 LEU 14 -0.209 -1.660 0.237 121 H VAL 15 HN VAL 15 -4.319 -4.964 3.305 122 HA VAL 15 HA VAL 15 -6.937 -3.962 3.579 123 HB VAL 15 HB VAL 15 -6.436 -6.322 2.899 124 HG11 VAL 15 HG11 VAL 15 -6.073 -8.047 4.580 125 HG12 VAL 15 HG12 VAL 15 -5.871 -6.795 5.805 126 HG13 VAL 15 HG13 VAL 15 -4.726 -6.914 4.470 127 HG21 VAL 15 HG21 VAL 15 -8.324 -7.364 4.062 128 HG22 VAL 15 HG22 VAL 15 -8.685 -5.723 3.528 129 HG23 VAL 15 HG23 VAL 15 -8.323 -6.039 5.225 130 H GLU 16 HN GLU 16 -4.454 -4.612 5.948 131 HA GLU 16 HA GLU 16 -6.162 -4.181 8.189 132 HB2 GLU 16 HB2 GLU 16 -3.174 -4.128 7.902 133 HB3 GLU 16 HB1 GLU 16 -4.016 -3.921 9.430 134 HG2 GLU 16 HG2 GLU 16 -4.967 -6.150 9.211 135 HG3 GLU 16 HG1 GLU 16 -4.125 -6.353 7.671 136 H SER 17 HN SER 17 -4.086 -2.164 6.198 137 HA SER 17 HA SER 17 -4.305 0.052 7.979 138 HB2 SER 17 HB2 SER 17 -2.309 -0.334 6.537 139 HB3 SER 17 HB1 SER 17 -3.302 0.061 5.130 140 HG SER 17 HG SER 17 -3.621 2.109 5.958 141 H ALA 18 HN ALA 18 -6.291 -1.232 5.579 142 HA ALA 18 HA ALA 18 -7.648 1.195 4.882 143 HB1 ALA 18 HB1 ALA 18 -7.798 -0.794 3.445 144 HB2 ALA 18 HB2 ALA 18 -9.399 -0.305 4.000 145 HB3 ALA 18 HB3 ALA 18 -8.589 -1.682 4.749 146 H GLY 19 HN GLY 19 -7.744 -1.187 7.357 147 HA2 GLY 19 HA2 GLY 19 -8.685 -1.232 9.412 148 HA3 GLY 19 HA1 GLY 19 -9.087 0.464 9.187 149 H GLU 20 HN GLU 20 -10.985 0.116 10.246 150 HA GLU 20 HA GLU 20 -13.194 0.020 10.361 151 HB2 GLU 20 HB2 GLU 20 -13.055 -0.591 7.413 152 HB3 GLU 20 HB1 GLU 20 -14.558 -0.358 8.289 153 HG2 GLU 20 HG2 GLU 20 -12.365 1.675 7.930 154 HG3 GLU 20 HG1 GLU 20 -13.934 1.659 7.120 155 H THR 21 HN THR 21 -14.478 -1.368 11.272 156 HA THR 21 HA THR 21 -13.777 -4.186 11.014 157 HB THR 21 HB THR 21 -15.514 -2.907 13.142 158 HG1 THR 21 HG1 THR 21 -12.674 -3.122 12.895 159 HG21 THR 21 HG21 THR 21 -15.556 -5.377 12.983 160 HG22 THR 21 HG22 THR 21 -14.770 -4.846 14.471 161 HG23 THR 21 HG23 THR 21 -13.796 -5.410 13.115 162 H ASP 22 HN ASP 22 -15.040 -3.686 8.875 163 HA ASP 22 HA ASP 22 -17.595 -4.967 9.096 164 HB2 ASP 22 HB2 ASP 22 -18.926 -3.245 8.044 165 HB3 ASP 22 HB1 ASP 22 -18.126 -2.500 9.416 166 H GLY 23 HN GLY 23 -18.342 -4.244 6.366 167 HA2 GLY 23 HA2 GLY 23 -16.679 -6.090 4.968 168 HA3 GLY 23 HA1 GLY 23 -18.017 -5.174 4.298 169 H THR 24 HN THR 24 -14.908 -4.309 5.676 170 HA THR 24 HA THR 24 -14.237 -2.800 3.257 171 HB THR 24 HB THR 24 -13.151 -2.424 6.087 172 HG1 THR 24 HG1 THR 24 -15.082 -1.435 6.380 173 HG21 THR 24 HG21 THR 24 -12.983 -0.673 3.619 174 HG22 THR 24 HG22 THR 24 -11.660 -1.637 4.279 175 HG23 THR 24 HG23 THR 24 -12.313 -0.283 5.204 176 H ASP 25 HN ASP 25 -13.648 -4.873 2.410 177 HA ASP 25 HA ASP 25 -11.267 -6.135 3.556 178 HB2 ASP 25 HB2 ASP 25 -12.084 -8.186 2.517 179 HB3 ASP 25 HB1 ASP 25 -13.254 -7.525 3.653 180 H LEU 26 HN LEU 26 -9.691 -6.883 2.145 181 HA LEU 26 HA LEU 26 -9.857 -6.170 -0.684 182 HB2 LEU 26 HB2 LEU 26 -8.789 -4.287 0.665 183 HB3 LEU 26 HB1 LEU 26 -7.500 -5.408 1.056 184 HG LEU 26 HG LEU 26 -7.030 -5.634 -1.377 185 HD11 LEU 26 HD11 LEU 26 -9.001 -3.371 -1.627 186 HD12 LEU 26 HD12 LEU 26 -9.199 -5.013 -2.242 187 HD13 LEU 26 HD13 LEU 26 -7.946 -3.965 -2.910 188 HD21 LEU 26 HD21 LEU 26 -5.928 -3.461 -1.601 189 HD22 LEU 26 HD22 LEU 26 -5.717 -4.134 0.017 190 HD23 LEU 26 HD23 LEU 26 -6.885 -2.841 -0.256 191 H SER 27 HN SER 27 -10.016 -8.627 0.772 192 HA SER 27 HA SER 27 -7.438 -9.893 0.522 193 HB2 SER 27 HB2 SER 27 -10.117 -10.989 1.384 194 HB3 SER 27 HB1 SER 27 -8.574 -11.841 1.494 195 HG SER 27 HG SER 27 -7.905 -10.550 3.026 196 H GLY 28 HN GLY 28 -7.158 -9.712 -1.662 197 HA2 GLY 28 HA2 GLY 28 -7.760 -11.849 -3.260 198 HA3 GLY 28 HA1 GLY 28 -8.942 -10.590 -3.642 199 H ASP 29 HN ASP 29 -7.807 -10.508 -5.765 200 HA ASP 29 HA ASP 29 -5.198 -9.321 -5.558 201 HB2 ASP 29 HB2 ASP 29 -6.784 -10.238 -7.935 202 HB3 ASP 29 HB1 ASP 29 -5.374 -9.195 -8.136 203 H PHE 30 HN PHE 30 -4.620 -7.377 -6.002 204 HA PHE 30 HA PHE 30 -6.726 -5.354 -6.331 205 HB2 PHE 30 HB2 PHE 30 -6.232 -4.263 -4.231 206 HB3 PHE 30 HB1 PHE 30 -6.596 -5.951 -3.916 207 HD1 PHE 30 HD1 PHE 30 -4.577 -7.561 -3.671 208 HD2 PHE 30 HD2 PHE 30 -4.274 -3.326 -3.399 209 HE1 PHE 30 HE1 PHE 30 -2.436 -7.789 -2.495 210 HE2 PHE 30 HE2 PHE 30 -2.133 -3.554 -2.225 211 HZ PHE 30 HZ PHE 30 -1.211 -5.785 -1.776 212 H LEU 31 HN LEU 31 -3.515 -6.421 -6.781 213 HA LEU 31 HA LEU 31 -1.898 -4.228 -6.579 214 HB2 LEU 31 HB2 LEU 31 -1.298 -6.625 -7.031 215 HB3 LEU 31 HB1 LEU 31 -1.728 -6.346 -8.704 216 HG LEU 31 HG LEU 31 -0.011 -4.569 -8.765 217 HD11 LEU 31 HD11 LEU 31 0.168 -4.123 -6.385 218 HD12 LEU 31 HD12 LEU 31 1.739 -4.598 -7.026 219 HD13 LEU 31 HD13 LEU 31 0.776 -5.753 -6.104 220 HD21 LEU 31 HD21 LEU 31 0.933 -7.360 -8.115 221 HD22 LEU 31 HD22 LEU 31 1.883 -6.131 -8.954 222 HD23 LEU 31 HD23 LEU 31 0.418 -6.772 -9.696 223 H ASP 32 HN ASP 32 -4.086 -5.077 -9.188 224 HA ASP 32 HA ASP 32 -3.168 -2.870 -10.865 225 HB2 ASP 32 HB2 ASP 32 -4.502 -3.949 -12.605 226 HB3 ASP 32 HB1 ASP 32 -3.369 -5.085 -11.878 227 H LEU 33 HN LEU 33 -5.268 -3.165 -8.421 228 HA LEU 33 HA LEU 33 -7.532 -1.836 -9.647 229 HB2 LEU 33 HB2 LEU 33 -7.057 -3.065 -6.954 230 HB3 LEU 33 HB1 LEU 33 -8.370 -1.933 -7.176 231 HG LEU 33 HG LEU 33 -9.417 -3.432 -8.811 232 HD11 LEU 33 HD11 LEU 33 -8.597 -5.700 -9.178 233 HD12 LEU 33 HD12 LEU 33 -7.127 -5.320 -8.279 234 HD13 LEU 33 HD13 LEU 33 -7.475 -4.490 -9.788 235 HD21 LEU 33 HD21 LEU 33 -8.658 -4.808 -6.254 236 HD22 LEU 33 HD22 LEU 33 -10.019 -5.238 -7.292 237 HD23 LEU 33 HD23 LEU 33 -9.986 -3.670 -6.482 238 H ARG 34 HN ARG 34 -8.251 0.165 -9.061 239 HA ARG 34 HA ARG 34 -6.128 2.041 -8.384 240 HB2 ARG 34 HB2 ARG 34 -9.040 2.665 -8.892 241 HB3 ARG 34 HB1 ARG 34 -7.682 3.772 -8.985 242 HG2 ARG 34 HG2 ARG 34 -8.191 1.454 -10.837 243 HG3 ARG 34 HG1 ARG 34 -8.527 3.144 -11.188 244 HD2 ARG 34 HD2 ARG 34 -6.143 3.654 -11.055 245 HD3 ARG 34 HD1 ARG 34 -5.800 1.972 -10.636 246 HE ARG 34 HE ARG 34 -7.163 1.741 -12.930 247 HH11 ARG 34 HH11 ARG 34 -4.339 3.793 -12.168 248 HH12 ARG 34 HH12 ARG 34 -3.703 3.660 -13.756 249 HH21 ARG 34 HH21 ARG 34 -6.188 1.576 -15.070 250 HH22 ARG 34 HH22 ARG 34 -4.732 2.439 -15.377 251 H PHE 35 HN PHE 35 -5.889 3.042 -6.425 252 HA PHE 35 HA PHE 35 -7.115 2.160 -4.099 253 HB2 PHE 35 HB2 PHE 35 -5.693 4.751 -4.652 254 HB3 PHE 35 HB1 PHE 35 -6.327 4.351 -3.057 255 HD1 PHE 35 HD1 PHE 35 -5.535 2.244 -1.953 256 HD2 PHE 35 HD2 PHE 35 -3.636 3.920 -5.357 257 HE1 PHE 35 HE1 PHE 35 -3.512 0.961 -1.441 258 HE2 PHE 35 HE2 PHE 35 -1.609 2.639 -4.855 259 HZ PHE 35 HZ PHE 35 -1.537 1.156 -2.896 260 H GLU 36 HN GLU 36 -8.007 4.988 -6.014 261 HA GLU 36 HA GLU 36 -10.059 5.960 -4.371 262 HB2 GLU 36 HB2 GLU 36 -10.936 7.105 -6.356 263 HB3 GLU 36 HB1 GLU 36 -9.190 7.252 -6.255 264 HG2 GLU 36 HG2 GLU 36 -8.920 5.542 -7.951 265 HG3 GLU 36 HG1 GLU 36 -10.666 5.302 -8.003 266 H ASP 37 HN ASP 37 -10.025 3.248 -6.475 267 HA ASP 37 HA ASP 37 -12.903 3.003 -6.687 268 HB2 ASP 37 HB2 ASP 37 -11.642 2.434 -8.630 269 HB3 ASP 37 HB1 ASP 37 -10.582 1.379 -7.710 270 H ILE 38 HN ILE 38 -10.261 1.622 -4.890 271 HA ILE 38 HA ILE 38 -12.036 -0.421 -3.847 272 HB ILE 38 HB ILE 38 -10.009 -1.429 -2.791 273 HG12 ILE 38 HG12 ILE 38 -8.553 0.693 -4.400 274 HG13 ILE 38 HG11 ILE 38 -8.615 0.600 -2.647 275 HG21 ILE 38 HG21 ILE 38 -9.944 -0.990 -5.763 276 HG22 ILE 38 HG22 ILE 38 -10.872 -2.217 -4.898 277 HG23 ILE 38 HG23 ILE 38 -9.109 -2.283 -4.904 278 HD11 ILE 38 HD11 ILE 38 -7.315 -1.411 -4.482 279 HD12 ILE 38 HD12 ILE 38 -7.370 -1.508 -2.722 280 HD13 ILE 38 HD13 ILE 38 -6.483 -0.200 -3.505 281 H GLY 39 HN GLY 39 -12.060 2.438 -3.086 282 HA2 GLY 39 HA2 GLY 39 -12.902 3.490 -1.219 283 HA3 GLY 39 HA1 GLY 39 -12.854 1.944 -0.393 284 H TYR 40 HN TYR 40 -10.090 3.643 -1.801 285 HA TYR 40 HA TYR 40 -9.054 3.869 0.925 286 HB2 TYR 40 HB2 TYR 40 -7.670 3.449 -1.680 287 HB3 TYR 40 HB1 TYR 40 -6.821 4.231 -0.356 288 HD1 TYR 40 HD1 TYR 40 -8.899 1.232 -1.041 289 HD2 TYR 40 HD2 TYR 40 -5.632 2.890 1.096 290 HE1 TYR 40 HE1 TYR 40 -8.398 -0.968 -0.135 291 HE2 TYR 40 HE2 TYR 40 -5.107 0.688 2.022 292 HH TYR 40 HH TYR 40 -6.516 -2.181 0.847 293 H ASP 41 HN ASP 41 -9.115 5.728 1.788 294 HA ASP 41 HA ASP 41 -9.127 8.158 0.196 295 HB2 ASP 41 HB2 ASP 41 -9.127 7.759 3.206 296 HB3 ASP 41 HB1 ASP 41 -9.226 9.311 2.397 297 H SER 42 HN SER 42 -7.581 9.814 0.621 298 HA SER 42 HA SER 42 -4.922 9.245 0.389 299 HB2 SER 42 HB2 SER 42 -4.648 11.592 1.174 300 HB3 SER 42 HB1 SER 42 -5.873 11.398 -0.091 301 H LEU 43 HN LEU 43 -6.806 9.810 3.294 302 HA LEU 43 HA LEU 43 -4.780 9.875 5.227 303 HB2 LEU 43 HB2 LEU 43 -7.079 10.547 5.671 304 HB3 LEU 43 HB1 LEU 43 -7.599 8.876 5.537 305 HG LEU 43 HG LEU 43 -6.109 8.340 7.474 306 HD11 LEU 43 HD11 LEU 43 -5.911 11.334 7.706 307 HD12 LEU 43 HD12 LEU 43 -4.595 10.224 7.326 308 HD13 LEU 43 HD13 LEU 43 -5.369 10.166 8.910 309 HD21 LEU 43 HD21 LEU 43 -7.629 9.248 9.145 310 HD22 LEU 43 HD22 LEU 43 -8.495 8.629 7.728 311 HD23 LEU 43 HD23 LEU 43 -8.265 10.369 7.936 312 H ALA 44 HN ALA 44 -6.833 7.090 4.306 313 HA ALA 44 HA ALA 44 -5.453 5.229 5.907 314 HB1 ALA 44 HB1 ALA 44 -6.593 3.503 4.617 315 HB2 ALA 44 HB2 ALA 44 -7.026 4.695 3.389 316 HB3 ALA 44 HB3 ALA 44 -7.702 4.816 5.014 317 H LEU 45 HN LEU 45 -4.910 6.392 2.697 318 HA LEU 45 HA LEU 45 -3.019 4.439 1.952 319 HB2 LEU 45 HB2 LEU 45 -4.242 5.808 0.349 320 HB3 LEU 45 HB1 LEU 45 -3.441 7.245 0.944 321 HG LEU 45 HG LEU 45 -1.312 6.455 0.046 322 HD11 LEU 45 HD11 LEU 45 -1.218 4.429 -1.326 323 HD12 LEU 45 HD12 LEU 45 -2.902 4.078 -0.930 324 HD13 LEU 45 HD13 LEU 45 -1.674 4.039 0.334 325 HD21 LEU 45 HD21 LEU 45 -2.839 7.754 -1.327 326 HD22 LEU 45 HD22 LEU 45 -3.569 6.249 -1.914 327 HD23 LEU 45 HD23 LEU 45 -1.881 6.623 -2.297 328 H MET 46 HN MET 46 -2.719 7.635 3.479 329 HA MET 46 HA MET 46 0.130 7.533 3.534 330 HB2 MET 46 HB2 MET 46 0.104 9.556 4.770 331 HB3 MET 46 HB1 MET 46 -1.336 9.654 3.787 332 HG2 MET 46 HG2 MET 46 -2.093 10.431 5.842 333 HG3 MET 46 HG1 MET 46 -2.532 8.739 5.892 334 HE1 MET 46 HE1 MET 46 -1.567 9.504 9.633 335 HE2 MET 46 HE2 MET 46 -2.824 8.900 8.554 336 HE3 MET 46 HE3 MET 46 -2.357 10.601 8.499 337 H GLU 47 HN GLU 47 -2.415 6.489 5.701 338 HA GLU 47 HA GLU 47 -0.825 5.728 7.887 339 HB2 GLU 47 HB2 GLU 47 -3.413 4.609 6.840 340 HB3 GLU 47 HB1 GLU 47 -2.732 4.133 8.402 341 HG2 GLU 47 HG2 GLU 47 -2.944 6.515 9.098 342 HG3 GLU 47 HG1 GLU 47 -3.708 6.853 7.546 343 H THR 48 HN THR 48 -1.663 4.135 4.903 344 HA THR 48 HA THR 48 -0.542 1.606 5.366 345 HB THR 48 HB THR 48 -0.727 3.147 2.746 346 HG1 THR 48 HG1 THR 48 -2.770 2.824 3.856 347 HG21 THR 48 HG21 THR 48 -0.706 0.931 1.682 348 HG22 THR 48 HG22 THR 48 -0.507 0.173 3.260 349 HG23 THR 48 HG23 THR 48 0.771 1.202 2.611 350 H ALA 49 HN ALA 49 0.775 4.495 3.756 351 HA ALA 49 HA ALA 49 3.329 3.607 3.260 352 HB1 ALA 49 HB1 ALA 49 3.954 5.970 3.091 353 HB2 ALA 49 HB2 ALA 49 2.462 6.426 3.911 354 HB3 ALA 49 HB3 ALA 49 2.397 5.663 2.322 355 H ALA 50 HN ALA 50 2.076 5.288 6.116 356 HA ALA 50 HA ALA 50 4.410 5.526 7.604 357 HB1 ALA 50 HB1 ALA 50 2.297 6.619 8.189 358 HB2 ALA 50 HB2 ALA 50 2.967 5.729 9.557 359 HB3 ALA 50 HB3 ALA 50 1.617 5.056 8.641 360 H ARG 51 HN ARG 51 2.068 2.852 7.562 361 HA ARG 51 HA ARG 51 3.373 1.232 9.470 362 HB2 ARG 51 HB2 ARG 51 1.074 0.773 8.966 363 HB3 ARG 51 HB1 ARG 51 1.420 0.566 7.259 364 HG2 ARG 51 HG2 ARG 51 2.625 -1.498 7.729 365 HG3 ARG 51 HG1 ARG 51 2.361 -1.272 9.458 366 HD2 ARG 51 HD2 ARG 51 0.009 -1.569 9.212 367 HD3 ARG 51 HD1 ARG 51 0.128 -1.505 7.454 368 HE ARG 51 HE ARG 51 1.558 -3.611 7.792 369 HH11 ARG 51 HH11 ARG 51 -1.180 -2.833 9.927 370 HH12 ARG 51 HH12 ARG 51 -1.645 -4.472 10.086 371 HH21 ARG 51 HH21 ARG 51 0.868 -5.790 7.995 372 HH22 ARG 51 HH22 ARG 51 -0.536 -6.174 8.921 373 H LEU 52 HN LEU 52 3.749 1.540 6.017 374 HA LEU 52 HA LEU 52 5.408 -0.698 5.565 375 HB2 LEU 52 HB2 LEU 52 5.481 1.962 4.153 376 HB3 LEU 52 HB1 LEU 52 6.105 0.447 3.541 377 HG LEU 52 HG LEU 52 3.191 1.032 4.048 378 HD11 LEU 52 HD11 LEU 52 2.998 1.169 1.649 379 HD12 LEU 52 HD12 LEU 52 4.725 0.894 1.485 380 HD13 LEU 52 HD13 LEU 52 4.143 2.375 2.239 381 HD21 LEU 52 HD21 LEU 52 4.532 -1.285 2.659 382 HD22 LEU 52 HD22 LEU 52 2.793 -1.013 2.773 383 HD23 LEU 52 HD23 LEU 52 3.730 -1.347 4.228 384 H GLU 53 HN GLU 53 6.124 2.687 6.243 385 HA GLU 53 HA GLU 53 8.903 2.478 6.234 386 HB2 GLU 53 HB2 GLU 53 7.160 4.443 7.703 387 HB3 GLU 53 HB1 GLU 53 8.900 4.600 7.507 388 HG2 GLU 53 HG2 GLU 53 8.556 4.601 5.051 389 HG3 GLU 53 HG1 GLU 53 6.820 4.632 5.335 390 H SER 54 HN SER 54 6.635 2.222 8.957 391 HA SER 54 HA SER 54 8.661 1.960 10.881 392 HB2 SER 54 HB2 SER 54 6.753 1.087 12.321 393 HB3 SER 54 HB1 SER 54 6.549 2.699 11.638 394 HG SER 54 HG SER 54 4.741 1.921 11.014 395 H ARG 55 HN ARG 55 6.566 -0.488 9.426 396 HA ARG 55 HA ARG 55 7.744 -2.638 10.822 397 HB2 ARG 55 HB2 ARG 55 5.451 -2.669 9.988 398 HB3 ARG 55 HB1 ARG 55 6.048 -2.672 8.341 399 HG2 ARG 55 HG2 ARG 55 6.996 -4.868 8.641 400 HG3 ARG 55 HG1 ARG 55 6.542 -4.860 10.351 401 HD2 ARG 55 HD2 ARG 55 4.182 -4.651 9.695 402 HD3 ARG 55 HD1 ARG 55 4.663 -4.703 8.006 403 HE ARG 55 HE ARG 55 5.504 -6.982 8.476 404 HH11 ARG 55 HH11 ARG 55 2.994 -5.611 10.621 405 HH12 ARG 55 HH12 ARG 55 2.344 -7.154 10.994 406 HH21 ARG 55 HH21 ARG 55 4.510 -9.016 8.937 407 HH22 ARG 55 HH22 ARG 55 3.180 -9.122 9.990 408 H TYR 56 HN TYR 56 8.317 -1.415 7.512 409 HA TYR 56 HA TYR 56 10.139 -3.669 7.131 410 HB2 TYR 56 HB2 TYR 56 9.241 -1.669 5.051 411 HB3 TYR 56 HB1 TYR 56 10.077 -3.189 4.760 412 HD1 TYR 56 HD2 TYR 56 8.710 -5.243 6.098 413 HD2 TYR 56 HD1 TYR 56 7.040 -1.710 4.432 414 HE1 TYR 56 HE2 TYR 56 6.512 -6.349 5.948 415 HE2 TYR 56 HE1 TYR 56 4.852 -2.801 4.289 416 HH TYR 56 HH TYR 56 3.995 -5.190 4.129 417 H GLY 57 HN GLY 57 10.420 -0.699 8.361 418 HA2 GLY 57 HA2 GLY 57 12.235 0.597 8.885 419 HA3 GLY 57 HA1 GLY 57 13.238 -0.722 8.307 420 H VAL 58 HN VAL 58 10.969 1.492 6.725 421 HA VAL 58 HA VAL 58 13.151 2.269 4.951 422 HB VAL 58 HB VAL 58 11.619 2.411 3.011 423 HG11 VAL 58 HG11 VAL 58 11.712 -0.322 4.259 424 HG12 VAL 58 HG12 VAL 58 12.961 0.419 3.257 425 HG13 VAL 58 HG13 VAL 58 11.389 0.020 2.561 426 HG21 VAL 58 HG21 VAL 58 9.414 1.328 3.083 427 HG22 VAL 58 HG22 VAL 58 9.503 2.705 4.181 428 HG23 VAL 58 HG23 VAL 58 9.608 1.063 4.817 429 H SER 59 HN SER 59 12.510 4.256 3.627 430 HA SER 59 HA SER 59 10.872 6.104 5.170 431 HB2 SER 59 HB2 SER 59 13.650 6.667 4.078 432 HB3 SER 59 HB1 SER 59 12.610 7.825 4.911 433 HG SER 59 HG SER 59 13.895 5.526 5.930 434 H ILE 60 HN ILE 60 9.375 6.750 3.852 435 HA ILE 60 HA ILE 60 9.721 6.460 0.976 436 HB ILE 60 HB ILE 60 7.250 6.964 2.656 437 HG12 ILE 60 HG12 ILE 60 8.163 4.503 1.146 438 HG13 ILE 60 HG11 ILE 60 8.241 4.718 2.888 439 HG21 ILE 60 HG21 ILE 60 5.949 6.569 0.613 440 HG22 ILE 60 HG22 ILE 60 7.444 6.484 -0.322 441 HG23 ILE 60 HG23 ILE 60 6.979 7.994 0.461 442 HD11 ILE 60 HD11 ILE 60 5.730 4.636 1.229 443 HD12 ILE 60 HD12 ILE 60 5.807 4.825 2.982 444 HD13 ILE 60 HD13 ILE 60 6.358 3.327 2.231 445 HA PRO 61 HA PRO 61 10.266 10.895 0.582 446 HB2 PRO 61 HB2 PRO 61 9.900 10.346 -2.294 447 HB3 PRO 61 HB1 PRO 61 11.295 11.043 -1.466 448 HG2 PRO 61 HG2 PRO 61 11.366 8.566 -2.498 449 HG3 PRO 61 HG1 PRO 61 12.216 8.977 -0.996 450 HD2 PRO 61 HD2 PRO 61 9.605 7.566 -1.374 451 HD3 PRO 61 HD1 PRO 61 10.930 7.198 -0.249 452 H ASP 62 HN ASP 62 8.833 12.486 0.465 453 HA ASP 62 HA ASP 62 6.079 12.022 0.617 454 HB2 ASP 62 HB2 ASP 62 7.517 14.623 0.062 455 HB3 ASP 62 HB1 ASP 62 5.792 14.512 0.355 456 H ASP 63 HN ASP 63 7.955 13.217 -2.133 457 HA ASP 63 HA ASP 63 5.618 13.775 -3.698 458 HB2 ASP 63 HB2 ASP 63 7.831 14.944 -3.937 459 HB3 ASP 63 HB1 ASP 63 8.471 13.475 -4.658 460 H VAL 64 HN VAL 64 7.628 11.069 -3.174 461 HA VAL 64 HA VAL 64 6.758 9.573 -5.480 462 HB VAL 64 HB VAL 64 8.274 8.697 -2.992 463 HG11 VAL 64 HG11 VAL 64 7.789 7.166 -5.552 464 HG12 VAL 64 HG12 VAL 64 7.096 6.786 -3.975 465 HG13 VAL 64 HG13 VAL 64 8.837 6.654 -4.230 466 HG21 VAL 64 HG21 VAL 64 9.208 9.265 -5.800 467 HG22 VAL 64 HG22 VAL 64 10.218 8.667 -4.484 468 HG23 VAL 64 HG23 VAL 64 9.493 10.272 -4.382 469 H ALA 65 HN ALA 65 5.907 9.770 -2.067 470 HA ALA 65 HA ALA 65 4.184 7.564 -1.911 471 HB1 ALA 65 HB1 ALA 65 3.989 10.167 -0.393 472 HB2 ALA 65 HB2 ALA 65 5.003 8.794 0.055 473 HB3 ALA 65 HB3 ALA 65 3.247 8.634 0.066 474 H GLY 66 HN GLY 66 3.623 10.825 -3.042 475 HA2 GLY 66 HA2 GLY 66 0.769 10.449 -3.166 476 HA3 GLY 66 HA1 GLY 66 1.658 11.875 -3.664 477 H ARG 67 HN ARG 67 3.098 9.273 -5.195 478 HA ARG 67 HA ARG 67 1.535 9.910 -7.611 479 HB2 ARG 67 HB2 ARG 67 3.377 9.171 -8.944 480 HB3 ARG 67 HB1 ARG 67 4.028 10.207 -7.688 481 HG2 ARG 67 HG2 ARG 67 4.740 8.212 -6.434 482 HG3 ARG 67 HG1 ARG 67 4.108 7.191 -7.721 483 HD2 ARG 67 HD2 ARG 67 5.636 8.307 -9.308 484 HD3 ARG 67 HD1 ARG 67 6.309 9.234 -7.969 485 HE ARG 67 HE ARG 67 6.376 6.353 -7.676 486 HH11 ARG 67 HH11 ARG 67 8.162 9.262 -8.665 487 HH12 ARG 67 HH12 ARG 67 9.696 8.543 -8.526 488 HH21 ARG 67 HH21 ARG 67 8.511 5.304 -7.632 489 HH22 ARG 67 HH22 ARG 67 9.881 6.220 -8.036 490 H VAL 68 HN VAL 68 1.336 7.691 -5.272 491 HA VAL 68 HA VAL 68 1.345 5.307 -6.806 492 HB VAL 68 HB VAL 68 0.633 5.929 -3.950 493 HG11 VAL 68 HG11 VAL 68 0.933 3.573 -3.571 494 HG12 VAL 68 HG12 VAL 68 1.190 3.352 -5.323 495 HG13 VAL 68 HG13 VAL 68 -0.368 3.953 -4.712 496 HG21 VAL 68 HG21 VAL 68 3.202 4.867 -5.122 497 HG22 VAL 68 HG22 VAL 68 2.849 5.025 -3.401 498 HG23 VAL 68 HG23 VAL 68 2.959 6.464 -4.414 499 H ASP 69 HN ASP 69 -0.314 5.481 -8.237 500 HA ASP 69 HA ASP 69 -3.030 6.077 -7.326 501 HB2 ASP 69 HB2 ASP 69 -2.428 7.110 -9.405 502 HB3 ASP 69 HB1 ASP 69 -1.782 5.607 -10.041 503 H THR 70 HN THR 70 -0.937 3.514 -8.100 504 HA THR 70 HA THR 70 -3.066 1.548 -7.631 505 HB THR 70 HB THR 70 -1.861 0.017 -9.241 506 HG1 THR 70 HG1 THR 70 -0.471 2.420 -9.762 507 HG21 THR 70 HG21 THR 70 -2.837 0.997 -11.283 508 HG22 THR 70 HG22 THR 70 -3.035 2.533 -10.443 509 HG23 THR 70 HG23 THR 70 -3.942 1.116 -9.912 510 HA PRO 71 HA PRO 71 -0.361 -0.074 -4.506 511 HB2 PRO 71 HB2 PRO 71 -1.253 -2.752 -5.454 512 HB3 PRO 71 HB1 PRO 71 -1.309 -2.059 -3.828 513 HG2 PRO 71 HG2 PRO 71 -3.530 -2.253 -5.242 514 HG3 PRO 71 HG1 PRO 71 -3.204 -0.786 -4.296 515 HD2 PRO 71 HD2 PRO 71 -2.900 -1.247 -7.239 516 HD3 PRO 71 HD1 PRO 71 -3.576 0.156 -6.384 517 H ARG 72 HN ARG 72 -0.242 -1.308 -7.755 518 HA ARG 72 HA ARG 72 2.033 -2.887 -7.841 519 HB2 ARG 72 HB2 ARG 72 0.491 -2.271 -9.752 520 HB3 ARG 72 HB1 ARG 72 1.358 -0.746 -9.859 521 HG2 ARG 72 HG2 ARG 72 3.465 -2.178 -10.172 522 HG3 ARG 72 HG1 ARG 72 2.348 -3.512 -10.467 523 HD2 ARG 72 HD2 ARG 72 2.594 -0.937 -11.990 524 HD3 ARG 72 HD1 ARG 72 2.958 -2.554 -12.572 525 HE ARG 72 HE ARG 72 0.488 -3.001 -12.268 526 HH11 ARG 72 HH11 ARG 72 1.726 0.259 -13.127 527 HH12 ARG 72 HH12 ARG 72 0.241 0.764 -13.791 528 HH21 ARG 72 HH21 ARG 72 -1.502 -2.270 -13.266 529 HH22 ARG 72 HH22 ARG 72 -1.623 -0.704 -13.911 530 H GLU 73 HN GLU 73 1.771 0.619 -8.113 531 HA GLU 73 HA GLU 73 4.509 1.218 -8.434 532 HB2 GLU 73 HB2 GLU 73 2.283 2.961 -7.398 533 HB3 GLU 73 HB1 GLU 73 3.811 3.505 -8.094 534 HG2 GLU 73 HG2 GLU 73 3.220 2.591 -10.225 535 HG3 GLU 73 HG1 GLU 73 1.755 1.885 -9.556 536 H LEU 74 HN LEU 74 2.412 0.946 -5.683 537 HA LEU 74 HA LEU 74 4.213 2.047 -3.788 538 HB2 LEU 74 HB2 LEU 74 1.706 1.879 -3.536 539 HB3 LEU 74 HB1 LEU 74 1.886 0.161 -3.304 540 HG LEU 74 HG LEU 74 1.502 1.546 -1.205 541 HD11 LEU 74 HD11 LEU 74 3.081 0.313 0.145 542 HD12 LEU 74 HD12 LEU 74 3.997 -0.117 -1.301 543 HD13 LEU 74 HD13 LEU 74 2.355 -0.719 -1.086 544 HD21 LEU 74 HD21 LEU 74 4.348 2.391 -1.741 545 HD22 LEU 74 HD22 LEU 74 3.426 2.732 -0.276 546 HD23 LEU 74 HD23 LEU 74 2.929 3.431 -1.819 547 H LEU 75 HN LEU 75 3.372 -1.266 -4.715 548 HA LEU 75 HA LEU 75 5.108 -2.663 -3.029 549 HB2 LEU 75 HB2 LEU 75 3.324 -3.717 -4.374 550 HB3 LEU 75 HB1 LEU 75 4.233 -3.390 -5.832 551 HG LEU 75 HG LEU 75 6.027 -4.897 -5.016 552 HD11 LEU 75 HD11 LEU 75 5.633 -4.707 -2.630 553 HD12 LEU 75 HD12 LEU 75 5.569 -6.394 -3.139 554 HD13 LEU 75 HD13 LEU 75 4.076 -5.517 -2.805 555 HD21 LEU 75 HD21 LEU 75 3.277 -6.133 -5.170 556 HD22 LEU 75 HD22 LEU 75 4.804 -6.985 -5.401 557 HD23 LEU 75 HD23 LEU 75 4.315 -5.729 -6.538 558 H ASP 76 HN ASP 76 5.581 -1.386 -6.258 559 HA ASP 76 HA ASP 76 8.141 -2.217 -6.880 560 HB2 ASP 76 HB2 ASP 76 6.654 -1.065 -8.433 561 HB3 ASP 76 HB1 ASP 76 6.795 0.413 -7.497 562 H LEU 77 HN LEU 77 7.142 0.645 -5.105 563 HA LEU 77 HA LEU 77 9.684 1.747 -4.637 564 HB2 LEU 77 HB2 LEU 77 7.757 3.118 -4.382 565 HB3 LEU 77 HB1 LEU 77 7.046 2.028 -3.200 566 HG LEU 77 HG LEU 77 8.829 2.688 -1.681 567 HD11 LEU 77 HD11 LEU 77 10.142 4.725 -2.152 568 HD12 LEU 77 HD12 LEU 77 9.503 4.731 -3.795 569 HD13 LEU 77 HD13 LEU 77 10.535 3.406 -3.254 570 HD21 LEU 77 HD21 LEU 77 6.658 3.716 -1.545 571 HD22 LEU 77 HD22 LEU 77 7.119 4.909 -2.760 572 HD23 LEU 77 HD23 LEU 77 7.902 4.911 -1.180 573 H ILE 78 HN ILE 78 7.609 -0.183 -2.495 574 HA ILE 78 HA ILE 78 9.488 -0.206 -0.366 575 HB ILE 78 HB ILE 78 7.109 -2.040 -0.786 576 HG12 ILE 78 HG12 ILE 78 6.437 0.300 -0.759 577 HG13 ILE 78 HG11 ILE 78 5.945 -0.479 0.735 578 HG21 ILE 78 HG21 ILE 78 8.681 -2.948 0.856 579 HG22 ILE 78 HG22 ILE 78 7.206 -2.390 1.649 580 HG23 ILE 78 HG23 ILE 78 8.674 -1.413 1.727 581 HD11 ILE 78 HD11 ILE 78 6.808 1.758 1.142 582 HD12 ILE 78 HD12 ILE 78 8.340 1.319 0.387 583 HD13 ILE 78 HD13 ILE 78 7.847 0.545 1.892 584 H ASN 79 HN ASN 79 8.556 -2.775 -2.665 585 HA ASN 79 HA ASN 79 10.394 -4.673 -1.642 586 HB2 ASN 79 HB2 ASN 79 8.467 -5.371 -2.965 587 HB3 ASN 79 HB1 ASN 79 9.048 -4.498 -4.375 588 HD21 ASN 79 HD21 ASN 79 8.279 -7.315 -3.904 589 HD22 ASN 79 HD22 ASN 79 9.599 -8.260 -4.444 590 H GLY 80 HN GLY 80 10.628 -2.217 -4.165 591 HA2 GLY 80 HA2 GLY 80 13.192 -2.865 -5.111 592 HA3 GLY 80 HA1 GLY 80 12.447 -1.270 -5.166 593 H ALA 81 HN ALA 81 12.126 -0.876 -2.399 594 HA ALA 81 HA ALA 81 14.706 0.058 -1.690 595 HB1 ALA 81 HB1 ALA 81 12.650 1.208 -1.014 596 HB2 ALA 81 HB2 ALA 81 13.649 0.798 0.380 597 HB3 ALA 81 HB3 ALA 81 12.219 -0.168 0.003 598 H LEU 82 HN LEU 82 12.771 -2.704 -0.729 599 HA LEU 82 HA LEU 82 14.495 -3.661 1.307 600 HB2 LEU 82 HB2 LEU 82 12.568 -5.189 -0.451 601 HB3 LEU 82 HB1 LEU 82 13.353 -5.846 0.966 602 HG LEU 82 HG LEU 82 11.354 -3.581 0.943 603 HD11 LEU 82 HD11 LEU 82 10.339 -5.728 0.449 604 HD12 LEU 82 HD12 LEU 82 9.882 -5.179 2.062 605 HD13 LEU 82 HD13 LEU 82 11.106 -6.435 1.871 606 HD21 LEU 82 HD21 LEU 82 12.693 -4.987 3.255 607 HD22 LEU 82 HD22 LEU 82 11.413 -3.781 3.387 608 HD23 LEU 82 HD23 LEU 82 12.990 -3.325 2.745 609 H ALA 83 HN ALA 83 14.341 -4.170 -2.152 610 HA ALA 83 HA ALA 83 16.326 -6.138 -2.400 611 HB1 ALA 83 HB1 ALA 83 14.785 -5.544 -4.218 612 HB2 ALA 83 HB2 ALA 83 16.464 -5.452 -4.747 613 HB3 ALA 83 HB3 ALA 83 15.573 -3.975 -4.373 614 H GLU 84 HN GLU 84 16.507 -2.640 -2.206 615 HA GLU 84 HA GLU 84 19.269 -2.407 -2.801 616 HB2 GLU 84 HB2 GLU 84 17.432 -0.528 -1.325 617 HB3 GLU 84 HB1 GLU 84 19.079 -0.137 -1.804 618 HG2 GLU 84 HG2 GLU 84 16.801 -0.803 -3.645 619 HG3 GLU 84 HG1 GLU 84 17.485 0.797 -3.352 620 H ALA 85 HN ALA 85 17.712 -3.561 -0.044 621 HA ALA 85 HA ALA 85 19.830 -2.846 1.783 622 HB1 ALA 85 HB1 ALA 85 18.623 -4.202 3.421 623 HB2 ALA 85 HB2 ALA 85 17.552 -4.794 2.152 624 HB3 ALA 85 HB3 ALA 85 17.526 -3.089 2.604 625 H ALA 86 HN ALA 86 19.445 -5.056 -0.644 626 HA ALA 86 HA ALA 86 20.570 -6.755 -1.457 627 HB1 ALA 86 HB1 ALA 86 22.719 -6.042 0.531 628 HB2 ALA 86 HB2 ALA 86 22.510 -5.303 -1.057 629 HB3 ALA 86 HB3 ALA 86 22.920 -7.015 -0.927 630 H28 SXH 87 H28B SXH 87 -4.513 12.175 3.441 631 H28A SXH 87 H28A SXH 87 -5.217 13.458 4.428 632 H30 SXH 87 H30C SXH 87 -1.478 13.549 4.771 633 H30A SXH 87 H30A SXH 87 -2.371 12.098 4.310 634 H30B SXH 87 H30B SXH 87 -2.975 13.128 5.609 635 H31 SXH 87 H31A SXH 87 -2.417 12.836 1.989 636 H31A SXH 87 H31C SXH 87 -3.151 14.380 1.549 637 H31B SXH 87 H31B SXH 87 -1.587 14.347 2.362 638 H32 SXH 87 H32A SXH 87 -3.820 15.515 5.080 639 HO33 SXH 87 H33A SXH 87 -3.580 16.811 2.793 640 HN36 SXH 87 H36A SXH 87 -1.586 15.361 5.791 641 H37 SXH 87 H37A SXH 87 0.718 16.329 4.416 642 H37A SXH 87 H37B SXH 87 -0.117 17.677 5.131 643 H38 SXH 87 H38A SXH 87 1.468 17.188 6.675 644 H38A SXH 87 H38B SXH 87 -0.029 16.463 7.350 645 HN41 SXH 87 H41A SXH 87 0.616 14.346 5.205 646 H42 SXH 87 H42A SXH 87 3.030 13.101 5.670 647 H42A SXH 87 H42B SXH 87 1.955 12.495 6.932 648 H43 SXH 87 H43A SXH 87 0.529 11.534 5.262 649 H43A SXH 87 H43B SXH 87 2.188 11.042 4.844 650 H2 SXH 87 H2A SXH 87 1.045 10.361 0.494 651 H2A SXH 87 H2B SXH 87 0.938 12.128 0.588 652 H3 SXH 87 H3A SXH 87 -1.190 11.824 1.855 653 H3A SXH 87 H3B SXH 87 -1.046 10.087 1.606 654 H4 SXH 87 H4B SXH 87 -2.581 11.119 -0.007 655 H4A SXH 87 H4A SXH 87 -1.269 12.146 -0.586 656 H5 SXH 87 H5A SXH 87 -1.344 9.123 -0.712 657 H5A SXH 87 H5B SXH 87 -0.029 10.157 -1.300 658 H6 SXH 87 H6C SXH 87 -2.892 10.198 -2.251 659 H6A SXH 87 H6A SXH 87 -1.531 9.483 -3.114 660 H6B SXH 87 H6B SXH 87 -1.592 11.226 -2.853 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 15.885 -14.995 -0.110 2 H2 MET 1 HT2 MET 1 16.972 -14.712 1.116 3 H3 MET 1 HT3 MET 1 17.056 -16.168 0.244 4 HA MET 1 HA MET 1 18.802 -14.734 -0.490 5 HB2 MET 1 HB2 MET 1 17.679 -16.107 -2.203 6 HB3 MET 1 HB1 MET 1 16.509 -14.827 -2.470 7 HG2 MET 1 HG2 MET 1 18.118 -14.824 -4.244 8 HG3 MET 1 HG1 MET 1 18.328 -13.370 -3.271 9 HE1 MET 1 HE1 MET 1 21.118 -17.050 -3.060 10 HE2 MET 1 HE2 MET 1 19.740 -16.931 -4.155 11 HE3 MET 1 HE3 MET 1 19.474 -17.047 -2.414 12 H ALA 2 HN ALA 2 15.641 -13.152 -1.155 13 HA ALA 2 HA ALA 2 16.901 -10.588 -0.548 14 HB1 ALA 2 HB1 ALA 2 16.927 -10.836 -2.981 15 HB2 ALA 2 HB2 ALA 2 15.786 -9.586 -2.478 16 HB3 ALA 2 HB3 ALA 2 15.195 -11.174 -2.966 17 H THR 3 HN THR 3 15.491 -9.130 0.376 18 HA THR 3 HA THR 3 13.059 -10.201 1.484 19 HB THR 3 HB THR 3 14.060 -7.379 1.541 20 HG1 THR 3 HG1 THR 3 15.535 -7.942 2.931 21 HG21 THR 3 HG21 THR 3 12.387 -8.987 3.479 22 HG22 THR 3 HG22 THR 3 11.802 -7.718 2.398 23 HG23 THR 3 HG23 THR 3 12.896 -7.315 3.723 24 H LEU 4 HN LEU 4 11.450 -10.358 0.048 25 HA LEU 4 HA LEU 4 10.876 -8.057 -1.670 26 HB2 LEU 4 HB2 LEU 4 10.589 -10.991 -2.350 27 HB3 LEU 4 HB1 LEU 4 10.068 -9.660 -3.364 28 HG LEU 4 HG LEU 4 12.937 -10.226 -2.601 29 HD11 LEU 4 HD11 LEU 4 11.490 -10.711 -5.196 30 HD12 LEU 4 HD12 LEU 4 12.057 -11.947 -4.075 31 HD13 LEU 4 HD13 LEU 4 13.218 -10.923 -4.921 32 HD21 LEU 4 HD21 LEU 4 13.475 -8.565 -4.311 33 HD22 LEU 4 HD22 LEU 4 12.516 -7.862 -3.009 34 HD23 LEU 4 HD23 LEU 4 11.755 -8.253 -4.553 35 H LEU 5 HN LEU 5 8.783 -7.478 -1.692 36 HA LEU 5 HA LEU 5 7.075 -8.709 0.329 37 HB2 LEU 5 HB2 LEU 5 7.561 -6.170 0.020 38 HB3 LEU 5 HB1 LEU 5 6.504 -6.281 -1.371 39 HG LEU 5 HG LEU 5 4.732 -7.154 0.225 40 HD11 LEU 5 HD11 LEU 5 6.696 -6.084 2.236 41 HD12 LEU 5 HD12 LEU 5 6.210 -7.768 2.036 42 HD13 LEU 5 HD13 LEU 5 5.034 -6.569 2.574 43 HD21 LEU 5 HD21 LEU 5 4.136 -4.905 0.994 44 HD22 LEU 5 HD22 LEU 5 4.690 -4.880 -0.679 45 HD23 LEU 5 HD23 LEU 5 5.761 -4.341 0.614 46 H THR 6 HN THR 6 5.501 -10.175 -0.419 47 HA THR 6 HA THR 6 5.068 -10.022 -3.272 48 HB THR 6 HB THR 6 4.187 -12.366 -3.163 49 HG1 THR 6 HG1 THR 6 4.848 -12.055 -0.413 50 HG21 THR 6 HG21 THR 6 7.008 -11.930 -2.196 51 HG22 THR 6 HG22 THR 6 6.459 -11.892 -3.872 52 HG23 THR 6 HG23 THR 6 6.400 -13.401 -2.957 53 H THR 7 HN THR 7 2.701 -11.427 -3.560 54 HA THR 7 HA THR 7 0.914 -9.359 -3.508 55 HB THR 7 HB THR 7 0.183 -12.285 -3.557 56 HG1 THR 7 HG1 THR 7 0.720 -11.295 -6.008 57 HG21 THR 7 HG21 THR 7 -1.472 -11.499 -5.190 58 HG22 THR 7 HG22 THR 7 -0.826 -9.865 -5.084 59 HG23 THR 7 HG23 THR 7 -1.641 -10.584 -3.689 60 H ASP 8 HN ASP 8 0.969 -12.239 -1.342 61 HA ASP 8 HA ASP 8 -1.237 -11.288 0.190 62 HB2 ASP 8 HB2 ASP 8 -0.894 -13.139 1.718 63 HB3 ASP 8 HB1 ASP 8 -0.720 -13.707 0.070 64 H ASP 9 HN ASP 9 2.149 -10.834 0.453 65 HA ASP 9 HA ASP 9 2.219 -9.782 3.106 66 HB2 ASP 9 HB2 ASP 9 4.025 -9.163 0.758 67 HB3 ASP 9 HB1 ASP 9 4.318 -8.648 2.405 68 H LEU 10 HN LEU 10 1.982 -8.343 -0.089 69 HA LEU 10 HA LEU 10 1.748 -5.657 0.724 70 HB2 LEU 10 HB2 LEU 10 2.344 -6.364 -1.559 71 HB3 LEU 10 HB1 LEU 10 0.740 -7.024 -1.776 72 HG LEU 10 HG LEU 10 -0.187 -4.726 -1.557 73 HD11 LEU 10 HD11 LEU 10 1.596 -3.717 -0.257 74 HD12 LEU 10 HD12 LEU 10 1.320 -2.819 -1.750 75 HD13 LEU 10 HD13 LEU 10 2.707 -3.897 -1.615 76 HD21 LEU 10 HD21 LEU 10 0.217 -5.709 -3.742 77 HD22 LEU 10 HD22 LEU 10 1.877 -5.112 -3.720 78 HD23 LEU 10 HD23 LEU 10 0.531 -3.975 -3.770 79 H ARG 11 HN ARG 11 -0.590 -8.155 -0.059 80 HA ARG 11 HA ARG 11 -3.013 -6.903 0.132 81 HB2 ARG 11 HB2 ARG 11 -2.711 -9.277 -0.410 82 HB3 ARG 11 HB1 ARG 11 -2.289 -9.605 1.263 83 HG2 ARG 11 HG2 ARG 11 -4.560 -8.811 1.915 84 HG3 ARG 11 HG1 ARG 11 -4.951 -8.704 0.196 85 HD2 ARG 11 HD2 ARG 11 -5.753 -10.797 1.004 86 HD3 ARG 11 HD1 ARG 11 -4.354 -11.106 -0.019 87 HE ARG 11 HE ARG 11 -3.999 -10.936 2.885 88 HH11 ARG 11 HH11 ARG 11 -3.851 -12.870 -0.095 89 HH12 ARG 11 HH12 ARG 11 -3.242 -14.263 0.669 90 HH21 ARG 11 HH21 ARG 11 -3.075 -12.869 3.937 91 HH22 ARG 11 HH22 ARG 11 -2.796 -14.254 3.009 92 H ARG 12 HN ARG 12 -1.400 -8.575 2.836 93 HA ARG 12 HA ARG 12 -3.189 -7.638 4.780 94 HB2 ARG 12 HB2 ARG 12 -1.821 -8.604 6.399 95 HB3 ARG 12 HB1 ARG 12 -1.633 -9.595 4.964 96 HG2 ARG 12 HG2 ARG 12 0.513 -8.796 4.522 97 HG3 ARG 12 HG1 ARG 12 0.224 -7.423 5.610 98 HD2 ARG 12 HD2 ARG 12 0.489 -10.317 6.454 99 HD3 ARG 12 HD1 ARG 12 1.741 -9.086 6.641 100 HE ARG 12 HE ARG 12 -0.594 -8.127 7.845 101 HH11 ARG 12 HH11 ARG 12 1.950 -10.499 8.515 102 HH12 ARG 12 HH12 ARG 12 1.512 -10.682 10.140 103 HH21 ARG 12 HH21 ARG 12 -1.224 -8.404 9.972 104 HH22 ARG 12 HH22 ARG 12 -0.376 -9.478 11.005 105 H ALA 13 HN ALA 13 -0.179 -6.362 3.684 106 HA ALA 13 HA ALA 13 0.104 -4.363 5.638 107 HB1 ALA 13 HB1 ALA 13 1.084 -4.293 2.782 108 HB2 ALA 13 HB2 ALA 13 1.939 -5.008 4.148 109 HB3 ALA 13 HB3 ALA 13 1.655 -3.268 4.098 110 H LEU 14 HN LEU 14 -1.474 -4.322 2.500 111 HA LEU 14 HA LEU 14 -2.308 -1.633 2.690 112 HB2 LEU 14 HB2 LEU 14 -3.349 -3.896 0.997 113 HB3 LEU 14 HB1 LEU 14 -3.848 -2.226 0.836 114 HG LEU 14 HG LEU 14 -1.087 -3.330 0.316 115 HD11 LEU 14 HD11 LEU 14 -2.704 -3.886 -1.397 116 HD12 LEU 14 HD12 LEU 14 -1.548 -2.694 -1.988 117 HD13 LEU 14 HD13 LEU 14 -3.173 -2.192 -1.524 118 HD21 LEU 14 HD21 LEU 14 -0.530 -1.080 -0.466 119 HD22 LEU 14 HD22 LEU 14 -0.948 -1.078 1.247 120 HD23 LEU 14 HD23 LEU 14 -2.113 -0.505 0.056 121 H VAL 15 HN VAL 15 -4.127 -4.679 3.164 122 HA VAL 15 HA VAL 15 -6.556 -3.320 3.638 123 HB VAL 15 HB VAL 15 -6.468 -5.637 2.752 124 HG11 VAL 15 HG11 VAL 15 -5.829 -6.461 5.570 125 HG12 VAL 15 HG12 VAL 15 -4.790 -6.627 4.156 126 HG13 VAL 15 HG13 VAL 15 -6.288 -7.550 4.259 127 HG21 VAL 15 HG21 VAL 15 -8.450 -6.483 3.944 128 HG22 VAL 15 HG22 VAL 15 -8.571 -4.762 3.574 129 HG23 VAL 15 HG23 VAL 15 -8.179 -5.287 5.212 130 H GLU 16 HN GLU 16 -4.170 -4.506 5.919 131 HA GLU 16 HA GLU 16 -5.893 -4.191 8.179 132 HB2 GLU 16 HB2 GLU 16 -2.876 -4.331 8.091 133 HB3 GLU 16 HB1 GLU 16 -3.867 -4.493 9.534 134 HG2 GLU 16 HG2 GLU 16 -4.819 -6.542 8.702 135 HG3 GLU 16 HG1 GLU 16 -3.967 -6.351 7.172 136 H SER 17 HN SER 17 -3.956 -2.041 6.339 137 HA SER 17 HA SER 17 -3.871 -0.022 8.406 138 HB2 SER 17 HB2 SER 17 -3.165 0.295 5.502 139 HB3 SER 17 HB1 SER 17 -2.610 1.249 6.869 140 HG SER 17 HG SER 17 -1.589 -1.045 5.900 141 H ALA 18 HN ALA 18 -5.621 -0.736 5.427 142 HA ALA 18 HA ALA 18 -6.919 1.803 5.258 143 HB1 ALA 18 HB1 ALA 18 -7.567 -0.772 3.838 144 HB2 ALA 18 HB2 ALA 18 -6.435 0.459 3.274 145 HB3 ALA 18 HB3 ALA 18 -8.153 0.836 3.413 146 H GLY 19 HN GLY 19 -7.856 -1.394 6.443 147 HA2 GLY 19 HA2 GLY 19 -9.356 -1.513 8.305 148 HA3 GLY 19 HA1 GLY 19 -10.166 -0.077 7.684 149 H GLU 20 HN GLU 20 -12.021 -1.598 8.044 150 HA GLU 20 HA GLU 20 -12.341 -3.304 5.708 151 HB2 GLU 20 HB2 GLU 20 -14.065 -4.530 7.062 152 HB3 GLU 20 HB1 GLU 20 -12.438 -4.649 7.706 153 HG2 GLU 20 HG2 GLU 20 -13.026 -2.835 9.318 154 HG3 GLU 20 HG1 GLU 20 -14.680 -2.920 8.730 155 H THR 21 HN THR 21 -12.896 -1.511 4.456 156 HA THR 21 HA THR 21 -15.082 0.197 5.167 157 HB THR 21 HB THR 21 -13.813 -0.002 2.436 158 HG1 THR 21 HG1 THR 21 -12.788 0.941 4.905 159 HG21 THR 21 HG21 THR 21 -15.662 1.620 2.778 160 HG22 THR 21 HG22 THR 21 -14.127 2.438 2.479 161 HG23 THR 21 HG23 THR 21 -14.769 2.338 4.118 162 H ASP 22 HN ASP 22 -16.124 -2.185 5.298 163 HA ASP 22 HA ASP 22 -17.796 -3.579 4.784 164 HB2 ASP 22 HB2 ASP 22 -19.119 -1.549 4.811 165 HB3 ASP 22 HB1 ASP 22 -18.777 -1.275 3.106 166 H GLY 23 HN GLY 23 -17.441 -2.074 1.585 167 HA2 GLY 23 HA2 GLY 23 -17.232 -4.794 0.492 168 HA3 GLY 23 HA1 GLY 23 -18.330 -3.607 -0.200 169 H THR 24 HN THR 24 -14.960 -4.040 0.645 170 HA THR 24 HA THR 24 -14.242 -3.063 -1.963 171 HB THR 24 HB THR 24 -13.976 -1.068 -0.597 172 HG1 THR 24 HG1 THR 24 -11.326 -1.545 -0.521 173 HG21 THR 24 HG21 THR 24 -12.536 -0.957 1.407 174 HG22 THR 24 HG22 THR 24 -12.282 -2.699 1.309 175 HG23 THR 24 HG23 THR 24 -13.892 -2.062 1.646 176 H ASP 25 HN ASP 25 -13.783 -5.136 -2.554 177 HA ASP 25 HA ASP 25 -12.311 -6.802 -0.763 178 HB2 ASP 25 HB2 ASP 25 -12.426 -8.603 -2.355 179 HB3 ASP 25 HB1 ASP 25 -13.986 -7.809 -2.347 180 H LEU 26 HN LEU 26 -10.441 -6.645 -0.338 181 HA LEU 26 HA LEU 26 -8.431 -5.730 -2.306 182 HB2 LEU 26 HB2 LEU 26 -9.086 -4.052 -0.580 183 HB3 LEU 26 HB1 LEU 26 -8.611 -5.181 0.666 184 HG LEU 26 HG LEU 26 -6.265 -5.005 -0.108 185 HD11 LEU 26 HD11 LEU 26 -5.673 -3.210 -1.661 186 HD12 LEU 26 HD12 LEU 26 -7.395 -2.908 -1.943 187 HD13 LEU 26 HD13 LEU 26 -6.676 -4.442 -2.432 188 HD21 LEU 26 HD21 LEU 26 -7.100 -3.601 1.693 189 HD22 LEU 26 HD22 LEU 26 -7.607 -2.383 0.520 190 HD23 LEU 26 HD23 LEU 26 -5.894 -2.748 0.732 191 H SER 27 HN SER 27 -9.565 -8.303 -0.812 192 HA SER 27 HA SER 27 -7.044 -9.275 0.220 193 HB2 SER 27 HB2 SER 27 -9.077 -9.471 1.629 194 HB3 SER 27 HB1 SER 27 -9.786 -10.525 0.405 195 HG SER 27 HG SER 27 -7.706 -10.950 2.193 196 H GLY 28 HN GLY 28 -5.966 -9.622 -1.712 197 HA2 GLY 28 HA2 GLY 28 -5.269 -11.801 -2.690 198 HA3 GLY 28 HA1 GLY 28 -6.948 -11.988 -3.167 199 H ASP 29 HN ASP 29 -7.796 -10.361 -4.650 200 HA ASP 29 HA ASP 29 -5.705 -9.688 -6.602 201 HB2 ASP 29 HB2 ASP 29 -7.448 -11.309 -7.353 202 HB3 ASP 29 HB1 ASP 29 -8.671 -10.074 -7.080 203 H PHE 30 HN PHE 30 -5.255 -7.692 -6.797 204 HA PHE 30 HA PHE 30 -7.122 -5.501 -6.596 205 HB2 PHE 30 HB2 PHE 30 -6.210 -4.476 -4.526 206 HB3 PHE 30 HB1 PHE 30 -7.032 -6.003 -4.229 207 HD1 PHE 30 HD2 PHE 30 -3.795 -4.289 -4.281 208 HD2 PHE 30 HD1 PHE 30 -5.781 -7.956 -3.472 209 HE1 PHE 30 HE2 PHE 30 -1.805 -5.105 -3.095 210 HE2 PHE 30 HE1 PHE 30 -3.792 -8.770 -2.288 211 HZ PHE 30 HZ PHE 30 -1.788 -7.408 -2.171 212 H LEU 31 HN LEU 31 -4.028 -6.735 -7.312 213 HA LEU 31 HA LEU 31 -2.231 -4.734 -6.904 214 HB2 LEU 31 HB2 LEU 31 -1.776 -7.074 -7.455 215 HB3 LEU 31 HB1 LEU 31 -2.273 -6.778 -9.107 216 HG LEU 31 HG LEU 31 -0.387 -5.215 -9.353 217 HD11 LEU 31 HD11 LEU 31 -0.131 -4.565 -7.008 218 HD12 LEU 31 HD12 LEU 31 1.383 -5.213 -7.643 219 HD13 LEU 31 HD13 LEU 31 0.365 -6.208 -6.600 220 HD21 LEU 31 HD21 LEU 31 0.315 -7.987 -8.414 221 HD22 LEU 31 HD22 LEU 31 1.354 -6.947 -9.392 222 HD23 LEU 31 HD23 LEU 31 -0.177 -7.534 -10.046 223 H ASP 32 HN ASP 32 -4.467 -5.044 -9.620 224 HA ASP 32 HA ASP 32 -3.116 -2.861 -11.048 225 HB2 ASP 32 HB2 ASP 32 -5.410 -4.615 -11.959 226 HB3 ASP 32 HB1 ASP 32 -4.549 -3.447 -12.944 227 H LEU 33 HN LEU 33 -5.356 -3.011 -8.704 228 HA LEU 33 HA LEU 33 -7.278 -1.231 -9.931 229 HB2 LEU 33 HB2 LEU 33 -7.196 -2.602 -7.254 230 HB3 LEU 33 HB1 LEU 33 -8.325 -1.302 -7.565 231 HG LEU 33 HG LEU 33 -9.328 -2.648 -9.401 232 HD11 LEU 33 HD11 LEU 33 -7.466 -4.050 -10.009 233 HD12 LEU 33 HD12 LEU 33 -8.855 -5.042 -9.558 234 HD13 LEU 33 HD13 LEU 33 -7.510 -4.842 -8.436 235 HD21 LEU 33 HD21 LEU 33 -10.320 -2.664 -7.196 236 HD22 LEU 33 HD22 LEU 33 -9.262 -3.985 -6.707 237 HD23 LEU 33 HD23 LEU 33 -10.480 -4.246 -7.956 238 H ARG 34 HN ARG 34 -7.703 0.816 -9.299 239 HA ARG 34 HA ARG 34 -5.417 2.355 -8.442 240 HB2 ARG 34 HB2 ARG 34 -8.281 3.208 -8.941 241 HB3 ARG 34 HB1 ARG 34 -6.908 4.286 -8.766 242 HG2 ARG 34 HG2 ARG 34 -7.138 2.241 -10.965 243 HG3 ARG 34 HG1 ARG 34 -7.709 3.899 -11.112 244 HD2 ARG 34 HD2 ARG 34 -4.870 3.121 -10.459 245 HD3 ARG 34 HD1 ARG 34 -5.448 3.499 -12.079 246 HE ARG 34 HE ARG 34 -5.900 5.538 -10.053 247 HH11 ARG 34 HH11 ARG 34 -3.874 4.465 -12.810 248 HH12 ARG 34 HH12 ARG 34 -3.118 5.974 -12.995 249 HH21 ARG 34 HH21 ARG 34 -4.856 7.566 -10.324 250 HH22 ARG 34 HH22 ARG 34 -3.659 7.779 -11.524 251 H PHE 35 HN PHE 35 -4.978 2.959 -6.380 252 HA PHE 35 HA PHE 35 -6.275 2.061 -4.090 253 HB2 PHE 35 HB2 PHE 35 -4.492 4.449 -4.485 254 HB3 PHE 35 HB1 PHE 35 -5.208 4.106 -2.919 255 HD1 PHE 35 HD1 PHE 35 -4.939 1.344 -2.480 256 HD2 PHE 35 HD2 PHE 35 -2.293 3.935 -4.539 257 HE1 PHE 35 HE1 PHE 35 -3.058 -0.124 -1.895 258 HE2 PHE 35 HE2 PHE 35 -0.407 2.472 -3.972 259 HZ PHE 35 HZ PHE 35 -0.784 0.443 -2.646 260 H GLU 36 HN GLU 36 -6.809 4.907 -5.884 261 HA GLU 36 HA GLU 36 -8.359 6.571 -4.354 262 HB2 GLU 36 HB2 GLU 36 -8.754 5.899 -7.261 263 HB3 GLU 36 HB1 GLU 36 -9.221 7.391 -6.459 264 HG2 GLU 36 HG2 GLU 36 -7.001 8.095 -6.232 265 HG3 GLU 36 HG1 GLU 36 -6.354 6.493 -6.568 266 H ASP 37 HN ASP 37 -9.343 3.697 -6.179 267 HA ASP 37 HA ASP 37 -12.136 4.152 -5.525 268 HB2 ASP 37 HB2 ASP 37 -11.634 3.490 -7.804 269 HB3 ASP 37 HB1 ASP 37 -10.871 2.009 -7.226 270 H ILE 38 HN ILE 38 -9.519 2.201 -4.440 271 HA ILE 38 HA ILE 38 -11.369 0.300 -3.246 272 HB ILE 38 HB ILE 38 -9.316 -1.030 -2.644 273 HG12 ILE 38 HG12 ILE 38 -7.960 1.038 -4.403 274 HG13 ILE 38 HG11 ILE 38 -7.664 0.787 -2.690 275 HG21 ILE 38 HG21 ILE 38 -9.793 -0.409 -5.549 276 HG22 ILE 38 HG22 ILE 38 -10.681 -1.568 -4.561 277 HG23 ILE 38 HG23 ILE 38 -8.978 -1.849 -4.933 278 HD11 ILE 38 HD11 ILE 38 -7.051 -1.177 -4.895 279 HD12 ILE 38 HD12 ILE 38 -6.716 -1.411 -3.179 280 HD13 ILE 38 HD13 ILE 38 -5.889 -0.139 -4.072 281 H GLY 39 HN GLY 39 -11.500 2.740 -2.154 282 HA2 GLY 39 HA2 GLY 39 -12.066 3.272 0.067 283 HA3 GLY 39 HA1 GLY 39 -10.988 2.003 0.615 284 H TYR 40 HN TYR 40 -8.904 3.328 -1.254 285 HA TYR 40 HA TYR 40 -7.853 4.930 0.901 286 HB2 TYR 40 HB2 TYR 40 -6.637 4.232 -1.763 287 HB3 TYR 40 HB1 TYR 40 -5.820 5.119 -0.481 288 HD1 TYR 40 HD1 TYR 40 -7.296 1.888 -1.396 289 HD2 TYR 40 HD2 TYR 40 -4.804 3.973 1.319 290 HE1 TYR 40 HE1 TYR 40 -6.559 -0.240 -0.452 291 HE2 TYR 40 HE2 TYR 40 -4.056 1.850 2.275 292 HH TYR 40 HH TYR 40 -4.687 -1.121 0.778 293 H ASP 41 HN ASP 41 -8.885 6.756 1.037 294 HA ASP 41 HA ASP 41 -9.322 8.400 -1.291 295 HB2 ASP 41 HB2 ASP 41 -10.964 8.347 0.543 296 HB3 ASP 41 HB1 ASP 41 -9.736 8.922 1.656 297 H SER 42 HN SER 42 -7.451 8.431 1.615 298 HA SER 42 HA SER 42 -5.007 9.270 0.541 299 HB2 SER 42 HB2 SER 42 -4.844 11.601 1.305 300 HB3 SER 42 HB1 SER 42 -6.142 11.434 0.115 301 H LEU 43 HN LEU 43 -7.084 9.798 3.333 302 HA LEU 43 HA LEU 43 -5.134 9.747 5.326 303 HB2 LEU 43 HB2 LEU 43 -7.468 10.565 5.583 304 HB3 LEU 43 HB1 LEU 43 -8.047 8.927 5.489 305 HG LEU 43 HG LEU 43 -8.045 9.997 7.770 306 HD11 LEU 43 HD11 LEU 43 -8.235 7.605 7.551 307 HD12 LEU 43 HD12 LEU 43 -7.268 8.026 8.965 308 HD13 LEU 43 HD13 LEU 43 -6.479 7.448 7.496 309 HD21 LEU 43 HD21 LEU 43 -5.929 10.060 9.008 310 HD22 LEU 43 HD22 LEU 43 -5.928 11.172 7.639 311 HD23 LEU 43 HD23 LEU 43 -5.061 9.638 7.529 312 H ALA 44 HN ALA 44 -7.092 7.083 4.050 313 HA ALA 44 HA ALA 44 -5.948 5.067 5.678 314 HB1 ALA 44 HB1 ALA 44 -7.146 4.751 2.918 315 HB2 ALA 44 HB2 ALA 44 -8.043 4.700 4.441 316 HB3 ALA 44 HB3 ALA 44 -6.828 3.463 4.080 317 H LEU 45 HN LEU 45 -5.022 6.505 2.687 318 HA LEU 45 HA LEU 45 -3.079 4.560 1.962 319 HB2 LEU 45 HB2 LEU 45 -4.157 6.002 0.308 320 HB3 LEU 45 HB1 LEU 45 -3.425 7.411 1.042 321 HG LEU 45 HG LEU 45 -1.196 6.593 0.374 322 HD11 LEU 45 HD11 LEU 45 -1.656 4.194 0.375 323 HD12 LEU 45 HD12 LEU 45 -1.003 4.715 -1.179 324 HD13 LEU 45 HD13 LEU 45 -2.729 4.391 -1.011 325 HD21 LEU 45 HD21 LEU 45 -3.179 6.710 -1.886 326 HD22 LEU 45 HD22 LEU 45 -1.444 7.038 -1.997 327 HD23 LEU 45 HD23 LEU 45 -2.497 8.100 -1.048 328 H MET 46 HN MET 46 -2.932 7.710 3.580 329 HA MET 46 HA MET 46 -0.121 7.696 3.776 330 HB2 MET 46 HB2 MET 46 -0.291 9.590 5.304 331 HB3 MET 46 HB1 MET 46 -1.394 9.802 3.965 332 HG2 MET 46 HG2 MET 46 -2.613 10.546 5.817 333 HG3 MET 46 HG1 MET 46 -3.195 8.914 5.559 334 HE1 MET 46 HE1 MET 46 -0.187 10.019 8.898 335 HE2 MET 46 HE2 MET 46 -0.819 11.191 7.742 336 HE3 MET 46 HE3 MET 46 0.258 9.906 7.194 337 H GLU 47 HN GLU 47 -2.622 6.533 5.990 338 HA GLU 47 HA GLU 47 -0.863 5.793 8.037 339 HB2 GLU 47 HB2 GLU 47 -3.540 4.739 7.234 340 HB3 GLU 47 HB1 GLU 47 -2.683 4.093 8.643 341 HG2 GLU 47 HG2 GLU 47 -2.635 6.542 9.409 342 HG3 GLU 47 HG1 GLU 47 -3.855 6.804 8.165 343 H THR 48 HN THR 48 -1.939 4.091 5.186 344 HA THR 48 HA THR 48 -0.715 1.623 5.683 345 HB THR 48 HB THR 48 -1.152 2.992 3.004 346 HG1 THR 48 HG1 THR 48 -3.119 2.779 4.124 347 HG21 THR 48 HG21 THR 48 0.364 1.054 2.880 348 HG22 THR 48 HG22 THR 48 -1.181 0.702 2.105 349 HG23 THR 48 HG23 THR 48 -0.836 0.065 3.713 350 H ALA 49 HN ALA 49 0.449 4.412 3.781 351 HA ALA 49 HA ALA 49 2.970 3.485 3.163 352 HB1 ALA 49 HB1 ALA 49 1.972 5.476 2.156 353 HB2 ALA 49 HB2 ALA 49 3.578 5.828 2.789 354 HB3 ALA 49 HB3 ALA 49 2.145 6.343 3.680 355 H ALA 50 HN ALA 50 1.906 5.316 6.025 356 HA ALA 50 HA ALA 50 4.419 5.653 7.227 357 HB1 ALA 50 HB1 ALA 50 1.721 5.448 8.562 358 HB2 ALA 50 HB2 ALA 50 2.421 6.917 7.887 359 HB3 ALA 50 HB3 ALA 50 3.181 6.135 9.274 360 H ARG 51 HN ARG 51 1.995 3.096 7.591 361 HA ARG 51 HA ARG 51 3.369 1.605 9.552 362 HB2 ARG 51 HB2 ARG 51 0.998 1.237 9.105 363 HB3 ARG 51 HB1 ARG 51 1.365 0.696 7.475 364 HG2 ARG 51 HG2 ARG 51 2.619 -1.208 8.427 365 HG3 ARG 51 HG1 ARG 51 2.134 -0.683 10.039 366 HD2 ARG 51 HD2 ARG 51 -0.192 -0.996 9.475 367 HD3 ARG 51 HD1 ARG 51 0.238 -1.408 7.816 368 HE ARG 51 HE ARG 51 1.348 -3.044 9.952 369 HH11 ARG 51 HH11 ARG 51 -0.976 -2.716 7.311 370 HH12 ARG 51 HH12 ARG 51 -1.404 -4.380 7.278 371 HH21 ARG 51 HH21 ARG 51 0.704 -5.363 9.937 372 HH22 ARG 51 HH22 ARG 51 -0.475 -5.858 8.809 373 H LEU 52 HN LEU 52 3.446 1.577 6.044 374 HA LEU 52 HA LEU 52 5.026 -0.710 5.634 375 HB2 LEU 52 HB2 LEU 52 4.997 1.842 4.029 376 HB3 LEU 52 HB1 LEU 52 5.646 0.310 3.489 377 HG LEU 52 HG LEU 52 2.747 0.831 4.115 378 HD11 LEU 52 HD11 LEU 52 4.167 0.596 1.480 379 HD12 LEU 52 HD12 LEU 52 3.492 2.069 2.174 380 HD13 LEU 52 HD13 LEU 52 2.425 0.743 1.709 381 HD21 LEU 52 HD21 LEU 52 3.390 -1.500 4.450 382 HD22 LEU 52 HD22 LEU 52 4.107 -1.541 2.840 383 HD23 LEU 52 HD23 LEU 52 2.367 -1.324 3.025 384 H GLU 53 HN GLU 53 5.919 2.668 6.099 385 HA GLU 53 HA GLU 53 8.682 2.346 5.872 386 HB2 GLU 53 HB2 GLU 53 7.165 4.358 7.526 387 HB3 GLU 53 HB1 GLU 53 8.860 4.468 7.087 388 HG2 GLU 53 HG2 GLU 53 8.186 4.512 4.710 389 HG3 GLU 53 HG1 GLU 53 6.501 4.561 5.235 390 H SER 54 HN SER 54 6.580 2.323 8.680 391 HA SER 54 HA SER 54 8.517 1.937 10.647 392 HB2 SER 54 HB2 SER 54 6.271 2.730 11.140 393 HB3 SER 54 HB1 SER 54 5.578 1.213 10.585 394 HG SER 54 HG SER 54 7.439 1.363 12.713 395 H ARG 55 HN ARG 55 6.398 -0.475 9.063 396 HA ARG 55 HA ARG 55 7.426 -2.657 10.532 397 HB2 ARG 55 HB2 ARG 55 5.161 -2.563 9.453 398 HB3 ARG 55 HB1 ARG 55 5.950 -2.809 7.902 399 HG2 ARG 55 HG2 ARG 55 6.841 -4.957 8.725 400 HG3 ARG 55 HG1 ARG 55 5.972 -4.715 10.237 401 HD2 ARG 55 HD2 ARG 55 3.849 -4.617 8.903 402 HD3 ARG 55 HD1 ARG 55 4.792 -5.066 7.481 403 HE ARG 55 HE ARG 55 4.708 -6.743 9.889 404 HH11 ARG 55 HH11 ARG 55 4.278 -6.493 6.331 405 HH12 ARG 55 HH12 ARG 55 4.051 -8.161 6.152 406 HH21 ARG 55 HH21 ARG 55 4.367 -9.037 9.541 407 HH22 ARG 55 HH22 ARG 55 4.082 -9.619 7.970 408 H TYR 56 HN TYR 56 8.289 -1.377 7.326 409 HA TYR 56 HA TYR 56 10.060 -3.692 7.006 410 HB2 TYR 56 HB2 TYR 56 9.198 -1.731 4.879 411 HB3 TYR 56 HB1 TYR 56 10.086 -3.234 4.635 412 HD1 TYR 56 HD2 TYR 56 8.881 -5.367 5.645 413 HD2 TYR 56 HD1 TYR 56 6.904 -1.773 4.546 414 HE1 TYR 56 HE2 TYR 56 6.791 -6.613 5.376 415 HE2 TYR 56 HE1 TYR 56 4.801 -3.012 4.272 416 HH TYR 56 HH TYR 56 4.365 -6.166 5.406 417 H GLY 57 HN GLY 57 10.277 -0.440 7.872 418 HA2 GLY 57 HA2 GLY 57 12.178 0.713 8.466 419 HA3 GLY 57 HA1 GLY 57 13.148 -0.600 7.815 420 H VAL 58 HN VAL 58 10.675 1.157 6.084 421 HA VAL 58 HA VAL 58 12.777 2.024 4.250 422 HB VAL 58 HB VAL 58 11.126 2.160 2.440 423 HG11 VAL 58 HG11 VAL 58 11.081 -0.499 3.850 424 HG12 VAL 58 HG12 VAL 58 12.314 0.075 2.726 425 HG13 VAL 58 HG13 VAL 58 10.677 -0.236 2.154 426 HG21 VAL 58 HG21 VAL 58 9.140 1.089 4.454 427 HG22 VAL 58 HG22 VAL 58 8.843 1.282 2.727 428 HG23 VAL 58 HG23 VAL 58 9.126 2.700 3.737 429 H SER 59 HN SER 59 12.072 4.070 2.913 430 HA SER 59 HA SER 59 10.838 6.004 4.726 431 HB2 SER 59 HB2 SER 59 13.438 6.418 3.225 432 HB3 SER 59 HB1 SER 59 12.651 7.573 4.301 433 HG SER 59 HG SER 59 13.700 5.030 5.001 434 H ILE 60 HN ILE 60 9.103 6.490 3.594 435 HA ILE 60 HA ILE 60 9.215 6.681 0.667 436 HB ILE 60 HB ILE 60 6.782 6.559 2.477 437 HG12 ILE 60 HG12 ILE 60 8.030 4.368 0.791 438 HG13 ILE 60 HG11 ILE 60 8.122 4.476 2.544 439 HG21 ILE 60 HG21 ILE 60 6.331 7.663 0.347 440 HG22 ILE 60 HG22 ILE 60 5.546 6.085 0.407 441 HG23 ILE 60 HG23 ILE 60 7.029 6.295 -0.525 442 HD11 ILE 60 HD11 ILE 60 5.699 4.202 2.688 443 HD12 ILE 60 HD12 ILE 60 6.449 2.856 1.831 444 HD13 ILE 60 HD13 ILE 60 5.604 4.114 0.929 445 HA PRO 61 HA PRO 61 9.081 11.183 1.450 446 HB2 PRO 61 HB2 PRO 61 9.387 11.244 -1.493 447 HB3 PRO 61 HB1 PRO 61 10.401 11.991 -0.254 448 HG2 PRO 61 HG2 PRO 61 11.263 9.879 -1.640 449 HG3 PRO 61 HG1 PRO 61 11.644 10.065 0.081 450 HD2 PRO 61 HD2 PRO 61 9.554 8.356 -1.219 451 HD3 PRO 61 HD1 PRO 61 10.676 7.950 0.099 452 H ASP 62 HN ASP 62 7.583 12.847 0.780 453 HA ASP 62 HA ASP 62 4.944 11.892 0.498 454 HB2 ASP 62 HB2 ASP 62 4.143 14.142 0.546 455 HB3 ASP 62 HB1 ASP 62 5.542 14.087 1.605 456 H ASP 63 HN ASP 63 7.194 12.908 -1.930 457 HA ASP 63 HA ASP 63 5.304 13.243 -4.042 458 HB2 ASP 63 HB2 ASP 63 7.486 14.163 -4.393 459 HB3 ASP 63 HB1 ASP 63 8.263 12.620 -4.060 460 H VAL 64 HN VAL 64 7.045 10.562 -2.735 461 HA VAL 64 HA VAL 64 6.306 8.756 -4.828 462 HB VAL 64 HB VAL 64 7.457 8.165 -2.085 463 HG11 VAL 64 HG11 VAL 64 6.357 6.234 -3.077 464 HG12 VAL 64 HG12 VAL 64 8.108 6.020 -3.071 465 HG13 VAL 64 HG13 VAL 64 7.278 6.458 -4.564 466 HG21 VAL 64 HG21 VAL 64 8.819 8.457 -4.762 467 HG22 VAL 64 HG22 VAL 64 9.600 7.965 -3.258 468 HG23 VAL 64 HG23 VAL 64 8.929 9.590 -3.414 469 H ALA 65 HN ALA 65 5.367 9.307 -1.451 470 HA ALA 65 HA ALA 65 3.373 7.345 -1.279 471 HB1 ALA 65 HB1 ALA 65 4.301 8.515 0.670 472 HB2 ALA 65 HB2 ALA 65 2.539 8.596 0.643 473 HB3 ALA 65 HB3 ALA 65 3.493 9.999 0.158 474 H GLY 66 HN GLY 66 3.322 10.547 -2.664 475 HA2 GLY 66 HA2 GLY 66 0.449 10.498 -2.991 476 HA3 GLY 66 HA1 GLY 66 1.539 11.779 -3.496 477 H ARG 67 HN ARG 67 3.107 9.306 -4.771 478 HA ARG 67 HA ARG 67 1.613 9.569 -7.285 479 HB2 ARG 67 HB2 ARG 67 3.606 9.111 -8.499 480 HB3 ARG 67 HB1 ARG 67 4.029 10.267 -7.251 481 HG2 ARG 67 HG2 ARG 67 4.919 8.379 -5.897 482 HG3 ARG 67 HG1 ARG 67 4.612 7.316 -7.263 483 HD2 ARG 67 HD2 ARG 67 6.046 8.800 -8.662 484 HD3 ARG 67 HD1 ARG 67 6.461 9.695 -7.203 485 HE ARG 67 HE ARG 67 6.912 6.834 -7.179 486 HH11 ARG 67 HH11 ARG 67 8.367 10.114 -7.242 487 HH12 ARG 67 HH12 ARG 67 9.959 9.484 -7.317 488 HH21 ARG 67 HH21 ARG 67 9.215 6.078 -7.204 489 HH22 ARG 67 HH22 ARG 67 10.424 7.280 -7.283 490 H VAL 68 HN VAL 68 2.054 7.359 -4.838 491 HA VAL 68 HA VAL 68 1.856 5.117 -6.615 492 HB VAL 68 HB VAL 68 1.711 3.681 -4.528 493 HG11 VAL 68 HG11 VAL 68 4.075 3.939 -3.950 494 HG12 VAL 68 HG12 VAL 68 4.101 5.491 -4.785 495 HG13 VAL 68 HG13 VAL 68 3.803 4.008 -5.691 496 HG21 VAL 68 HG21 VAL 68 0.868 5.344 -2.935 497 HG22 VAL 68 HG22 VAL 68 2.368 6.272 -3.127 498 HG23 VAL 68 HG23 VAL 68 2.414 4.658 -2.417 499 H ASP 69 HN ASP 69 0.176 5.407 -7.665 500 HA ASP 69 HA ASP 69 -2.466 5.835 -6.558 501 HB2 ASP 69 HB2 ASP 69 -3.089 5.727 -9.018 502 HB3 ASP 69 HB1 ASP 69 -1.997 7.025 -8.543 503 H THR 70 HN THR 70 -0.544 3.195 -7.504 504 HA THR 70 HA THR 70 -2.838 1.399 -7.296 505 HB THR 70 HB THR 70 -1.523 0.006 -9.056 506 HG1 THR 70 HG1 THR 70 -0.724 2.581 -9.880 507 HG21 THR 70 HG21 THR 70 -3.749 0.952 -9.485 508 HG22 THR 70 HG22 THR 70 -2.729 1.091 -10.915 509 HG23 THR 70 HG23 THR 70 -3.014 2.503 -9.895 510 HA PRO 71 HA PRO 71 -0.280 -0.884 -4.423 511 HB2 PRO 71 HB2 PRO 71 -1.352 -3.283 -5.839 512 HB3 PRO 71 HB1 PRO 71 -1.346 -2.917 -4.109 513 HG2 PRO 71 HG2 PRO 71 -3.586 -2.701 -5.491 514 HG3 PRO 71 HG1 PRO 71 -3.163 -1.476 -4.278 515 HD2 PRO 71 HD2 PRO 71 -2.951 -1.346 -7.256 516 HD3 PRO 71 HD1 PRO 71 -3.473 -0.098 -6.104 517 H ARG 72 HN ARG 72 -0.422 -1.751 -7.796 518 HA ARG 72 HA ARG 72 1.812 -3.253 -8.284 519 HB2 ARG 72 HB2 ARG 72 0.138 -2.532 -9.959 520 HB3 ARG 72 HB1 ARG 72 0.780 -0.902 -9.891 521 HG2 ARG 72 HG2 ARG 72 2.951 -1.818 -10.724 522 HG3 ARG 72 HG1 ARG 72 2.129 -3.362 -10.964 523 HD2 ARG 72 HD2 ARG 72 1.356 -0.733 -12.201 524 HD3 ARG 72 HD1 ARG 72 2.213 -2.028 -13.026 525 HE ARG 72 HE ARG 72 0.071 -3.359 -12.407 526 HH11 ARG 72 HH11 ARG 72 0.141 0.081 -13.381 527 HH12 ARG 72 HH12 ARG 72 -1.341 0.037 -14.185 528 HH21 ARG 72 HH21 ARG 72 -2.037 -3.395 -13.565 529 HH22 ARG 72 HH22 ARG 72 -2.572 -1.970 -14.342 530 H GLU 73 HN GLU 73 1.668 0.316 -8.406 531 HA GLU 73 HA GLU 73 4.455 0.709 -8.544 532 HB2 GLU 73 HB2 GLU 73 2.163 2.556 -7.985 533 HB3 GLU 73 HB1 GLU 73 3.833 3.108 -8.003 534 HG2 GLU 73 HG2 GLU 73 2.420 1.761 -10.286 535 HG3 GLU 73 HG1 GLU 73 2.710 3.496 -10.129 536 H LEU 74 HN LEU 74 2.216 0.671 -5.866 537 HA LEU 74 HA LEU 74 4.042 1.739 -3.994 538 HB2 LEU 74 HB2 LEU 74 1.558 1.663 -3.666 539 HB3 LEU 74 HB1 LEU 74 1.661 -0.069 -3.469 540 HG LEU 74 HG LEU 74 1.365 1.298 -1.329 541 HD11 LEU 74 HD11 LEU 74 2.084 -1.011 -1.253 542 HD12 LEU 74 HD12 LEU 74 2.884 -0.044 -0.012 543 HD13 LEU 74 HD13 LEU 74 3.757 -0.505 -1.472 544 HD21 LEU 74 HD21 LEU 74 3.365 2.336 -0.385 545 HD22 LEU 74 HD22 LEU 74 2.902 3.117 -1.898 546 HD23 LEU 74 HD23 LEU 74 4.252 1.990 -1.869 547 H LEU 75 HN LEU 75 3.190 -1.584 -4.854 548 HA LEU 75 HA LEU 75 4.881 -2.993 -3.152 549 HB2 LEU 75 HB2 LEU 75 3.103 -3.953 -4.605 550 HB3 LEU 75 HB1 LEU 75 4.113 -3.652 -5.999 551 HG LEU 75 HG LEU 75 5.786 -5.238 -5.091 552 HD11 LEU 75 HD11 LEU 75 5.134 -6.693 -3.246 553 HD12 LEU 75 HD12 LEU 75 3.668 -5.744 -3.013 554 HD13 LEU 75 HD13 LEU 75 5.249 -5.010 -2.740 555 HD21 LEU 75 HD21 LEU 75 4.117 -5.978 -6.709 556 HD22 LEU 75 HD22 LEU 75 2.993 -6.331 -5.397 557 HD23 LEU 75 HD23 LEU 75 4.487 -7.257 -5.552 558 H ASP 76 HN ASP 76 5.388 -1.618 -6.329 559 HA ASP 76 HA ASP 76 7.977 -2.454 -6.863 560 HB2 ASP 76 HB2 ASP 76 6.740 -1.433 -8.618 561 HB3 ASP 76 HB1 ASP 76 6.511 0.046 -7.689 562 H LEU 77 HN LEU 77 6.901 0.521 -5.215 563 HA LEU 77 HA LEU 77 9.485 1.507 -4.797 564 HB2 LEU 77 HB2 LEU 77 7.445 2.895 -4.667 565 HB3 LEU 77 HB1 LEU 77 6.948 2.048 -3.227 566 HG LEU 77 HG LEU 77 7.864 4.369 -2.909 567 HD11 LEU 77 HD11 LEU 77 7.711 2.880 -1.008 568 HD12 LEU 77 HD12 LEU 77 9.162 3.875 -0.898 569 HD13 LEU 77 HD13 LEU 77 9.286 2.189 -1.399 570 HD21 LEU 77 HD21 LEU 77 10.302 4.664 -2.888 571 HD22 LEU 77 HD22 LEU 77 9.688 4.296 -4.503 572 HD23 LEU 77 HD23 LEU 77 10.490 3.043 -3.558 573 H ILE 78 HN ILE 78 7.425 -0.560 -2.823 574 HA ILE 78 HA ILE 78 9.134 -0.556 -0.577 575 HB ILE 78 HB ILE 78 7.115 -2.664 -1.414 576 HG12 ILE 78 HG12 ILE 78 6.090 -0.475 -1.066 577 HG13 ILE 78 HG11 ILE 78 5.632 -1.573 0.228 578 HG21 ILE 78 HG21 ILE 78 7.153 -3.378 0.949 579 HG22 ILE 78 HG22 ILE 78 8.463 -2.237 1.258 580 HG23 ILE 78 HG23 ILE 78 8.719 -3.595 0.167 581 HD11 ILE 78 HD11 ILE 78 7.277 -0.500 1.704 582 HD12 ILE 78 HD12 ILE 78 6.102 0.658 1.084 583 HD13 ILE 78 HD13 ILE 78 7.723 0.593 0.396 584 H ASN 79 HN ASN 79 8.799 -2.907 -3.241 585 HA ASN 79 HA ASN 79 10.835 -4.628 -2.359 586 HB2 ASN 79 HB2 ASN 79 9.718 -4.154 -5.120 587 HB3 ASN 79 HB1 ASN 79 10.975 -5.349 -4.807 588 HD21 ASN 79 HD21 ASN 79 8.237 -5.701 -5.746 589 HD22 ASN 79 HD22 ASN 79 7.500 -6.782 -4.609 590 H GLY 80 HN GLY 80 10.985 -1.762 -4.360 591 HA2 GLY 80 HA2 GLY 80 13.736 -2.043 -5.030 592 HA3 GLY 80 HA1 GLY 80 12.771 -0.577 -5.171 593 H ALA 81 HN ALA 81 11.991 -0.417 -2.434 594 HA ALA 81 HA ALA 81 14.276 0.903 -1.379 595 HB1 ALA 81 HB1 ALA 81 11.999 1.726 -1.002 596 HB2 ALA 81 HB2 ALA 81 12.857 1.455 0.514 597 HB3 ALA 81 HB3 ALA 81 11.648 0.293 -0.036 598 H LEU 82 HN LEU 82 12.662 -2.150 -0.690 599 HA LEU 82 HA LEU 82 13.958 -2.831 1.677 600 HB2 LEU 82 HB2 LEU 82 12.925 -4.616 -0.517 601 HB3 LEU 82 HB1 LEU 82 13.508 -5.219 1.023 602 HG LEU 82 HG LEU 82 11.150 -3.371 0.658 603 HD11 LEU 82 HD11 LEU 82 9.799 -5.302 1.294 604 HD12 LEU 82 HD12 LEU 82 11.250 -6.309 1.313 605 HD13 LEU 82 HD13 LEU 82 10.690 -5.597 -0.199 606 HD21 LEU 82 HD21 LEU 82 12.280 -3.030 2.787 607 HD22 LEU 82 HD22 LEU 82 12.214 -4.764 3.113 608 HD23 LEU 82 HD23 LEU 82 10.724 -3.826 3.024 609 H ALA 83 HN ALA 83 15.090 -3.090 -1.601 610 HA ALA 83 HA ALA 83 17.311 -4.749 -1.187 611 HB1 ALA 83 HB1 ALA 83 16.455 -4.158 -3.409 612 HB2 ALA 83 HB2 ALA 83 18.176 -3.795 -3.271 613 HB3 ALA 83 HB3 ALA 83 16.990 -2.496 -3.173 614 H GLU 84 HN GLU 84 16.780 -1.383 -0.507 615 HA GLU 84 HA GLU 84 19.600 -0.972 0.197 616 HB2 GLU 84 HB2 GLU 84 17.387 0.982 -0.377 617 HB3 GLU 84 HB1 GLU 84 19.006 1.432 0.143 618 HG2 GLU 84 HG2 GLU 84 19.951 0.497 -1.854 619 HG3 GLU 84 HG1 GLU 84 18.367 -0.097 -2.357 620 H ALA 85 HN ALA 85 17.080 -2.123 1.709 621 HA ALA 85 HA ALA 85 16.954 -0.383 4.004 622 HB1 ALA 85 HB1 ALA 85 15.546 -2.135 4.998 623 HB2 ALA 85 HB2 ALA 85 15.941 -3.215 3.661 624 HB3 ALA 85 HB3 ALA 85 15.007 -1.749 3.363 625 H ALA 86 HN ALA 86 19.076 -2.662 2.855 626 HA ALA 86 HA ALA 86 20.474 -2.726 5.393 627 HB1 ALA 86 HB1 ALA 86 20.030 -5.138 3.608 628 HB2 ALA 86 HB2 ALA 86 19.339 -4.904 5.214 629 HB3 ALA 86 HB3 ALA 86 21.083 -5.091 5.025 630 H28 SXH 87 H28B SXH 87 -4.535 12.120 3.587 631 H28A SXH 87 H28A SXH 87 -5.499 13.162 4.629 632 H30 SXH 87 H30C SXH 87 -1.923 13.574 5.573 633 H30A SXH 87 H30A SXH 87 -2.573 12.114 4.824 634 H30B SXH 87 H30B SXH 87 -3.480 12.930 6.099 635 H31 SXH 87 H31A SXH 87 -2.328 13.121 2.613 636 H31A SXH 87 H31C SXH 87 -3.132 14.644 2.224 637 H31B SXH 87 H31B SXH 87 -1.724 14.636 3.286 638 H32 SXH 87 H32A SXH 87 -4.763 15.271 5.476 639 HO33 SXH 87 H33A SXH 87 -3.561 16.814 3.656 640 HN36 SXH 87 H36A SXH 87 -3.101 15.094 7.100 641 H37 SXH 87 H37A SXH 87 -0.710 16.840 6.843 642 H37A SXH 87 H37B SXH 87 -1.900 17.201 8.073 643 H38 SXH 87 H38A SXH 87 -0.080 16.032 9.061 644 H38A SXH 87 H38B SXH 87 -1.536 15.026 9.141 645 HN41 SXH 87 H41A SXH 87 0.058 15.275 6.162 646 H42 SXH 87 H42A SXH 87 2.126 13.392 6.209 647 H42A SXH 87 H42B SXH 87 0.630 12.527 5.919 648 H43 SXH 87 H43A SXH 87 1.774 14.685 4.162 649 H43A SXH 87 H43B SXH 87 0.129 14.073 4.062 650 H2 SXH 87 H2A SXH 87 1.750 11.219 1.084 651 H2A SXH 87 H2B SXH 87 2.538 12.453 0.098 652 H3 SXH 87 H3A SXH 87 0.586 11.609 -1.053 653 H3A SXH 87 H3B SXH 87 0.310 13.286 -0.579 654 H4 SXH 87 H4B SXH 87 -0.734 10.840 0.852 655 H4A SXH 87 H4A SXH 87 -0.955 12.504 1.389 656 H5 SXH 87 H5A SXH 87 -2.183 12.991 -0.714 657 H5A SXH 87 H5B SXH 87 -2.953 11.698 0.223 658 H6 SXH 87 H6C SXH 87 -1.852 10.039 -1.209 659 H6A SXH 87 H6A SXH 87 -1.111 11.337 -2.140 660 H6B SXH 87 H6B SXH 87 -2.864 11.133 -2.155
Contact the webmaster for help, if required. Saturday, May 18, 2024 9:02:33 AM GMT (wattos1)