NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22910 | 2jrt | 15344 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 6.614 20.065 7.862 2 H1 MET 1 1H MET 1 6.301 20.691 10.162 3 H2 MET 1 2H MET 1 7.301 19.328 10.047 4 H3 MET 1 3H MET 1 5.682 19.154 10.523 5 HB2 MET 1 2HB MET 1 5.325 17.474 8.755 6 HB3 MET 1 1HB MET 1 5.558 17.938 7.079 7 HG2 MET 1 2HG MET 1 7.279 16.421 7.638 8 HG3 MET 1 1HG MET 1 8.016 18.018 7.527 9 HE1 MET 1 3HE MET 1 10.164 17.109 8.763 10 HE2 MET 1 1HE MET 1 9.441 15.506 8.909 11 HE3 MET 1 2HE MET 1 10.131 16.295 10.326 12 H TYR 2 H TYR 2 4.870 20.333 6.324 13 HA TYR 2 HA TYR 2 2.235 20.730 7.569 14 HD1 TYR 2 HD2 TYR 2 1.229 23.120 8.290 15 HD2 TYR 2 HD1 TYR 2 5.194 23.623 6.838 16 HE1 TYR 2 HE2 TYR 2 1.715 24.624 10.167 17 HE2 TYR 2 HE1 TYR 2 5.693 25.133 8.715 18 HH TYR 2 HH TYR 2 3.679 25.397 11.430 19 HB2 TYR 2 2HB TYR 2 3.608 22.482 5.528 20 HB3 TYR 2 1HB TYR 2 1.892 22.596 5.900 21 H LEU 3 H LEU 3 0.800 19.416 6.772 22 HA LEU 3 HA LEU 3 -0.479 18.201 5.354 23 HG LEU 3 HG LEU 3 -1.713 18.282 3.243 24 HB2 LEU 3 2HB LEU 3 -0.105 20.201 3.805 25 HB3 LEU 3 1HB LEU 3 1.137 19.239 3.034 26 HD11 LEU 3 1HD1 LEU 3 -2.030 19.120 0.966 27 HD12 LEU 3 2HD1 LEU 3 -0.443 19.889 1.032 28 HD13 LEU 3 3HD1 LEU 3 -1.730 20.429 2.109 29 HD21 LEU 3 3HD2 LEU 3 0.554 17.572 1.382 30 HD22 LEU 3 1HD2 LEU 3 -1.078 16.910 1.316 31 HD23 LEU 3 2HD2 LEU 3 -0.049 16.580 2.708 32 H LYS 4 H LYS 4 2.856 18.218 4.095 33 HA LYS 4 HA LYS 4 2.691 15.371 3.588 34 HB2 LYS 4 2HB LYS 4 4.837 17.424 3.078 35 HB3 LYS 4 1HB LYS 4 5.075 15.709 2.777 36 HG2 LYS 4 2HG LYS 4 2.900 17.364 1.516 37 HG3 LYS 4 1HG LYS 4 4.458 17.021 0.763 38 HD2 LYS 4 2HD LYS 4 3.954 14.593 0.963 39 HD3 LYS 4 1HD LYS 4 2.356 15.014 1.575 40 HE2 LYS 4 2HE LYS 4 1.787 16.094 -0.498 41 HE3 LYS 4 1HE LYS 4 3.428 15.880 -1.106 42 HZ1 LYS 4 3HZ LYS 4 1.475 13.719 -0.514 43 HZ2 LYS 4 1HZ LYS 4 3.080 13.468 -1.002 44 HZ3 LYS 4 2HZ LYS 4 1.981 14.223 -2.052 45 H ARG 5 H ARG 5 2.429 14.748 5.835 46 HA ARG 5 HA ARG 5 5.101 14.299 6.973 47 HE ARG 5 HE ARG 5 4.769 13.029 11.891 48 HB2 ARG 5 2HB ARG 5 3.991 15.853 8.484 49 HB3 ARG 5 1HB ARG 5 2.572 14.816 8.556 50 HG2 ARG 5 2HG ARG 5 3.953 13.051 9.596 51 HG3 ARG 5 1HG ARG 5 5.324 14.159 9.589 52 HD2 ARG 5 2HD ARG 5 4.202 15.649 11.093 53 HD3 ARG 5 1HD ARG 5 2.711 14.713 10.984 54 HH11 ARG 5 1HH1 ARG 5 2.912 15.792 13.019 55 HH12 ARG 5 2HH1 ARG 5 3.004 15.306 14.688 56 HH21 ARG 5 1HH2 ARG 5 4.880 12.413 14.060 57 HH22 ARG 5 2HH2 ARG 5 4.108 13.392 15.279 58 H VAL 6 H VAL 6 5.370 12.293 6.149 59 HA VAL 6 HA VAL 6 3.305 10.286 6.592 60 HB VAL 6 HB VAL 6 6.028 9.919 5.329 61 HG11 VAL 6 1HG1 VAL 6 3.542 8.209 5.244 62 HG12 VAL 6 2HG1 VAL 6 5.030 7.846 6.118 63 HG13 VAL 6 3HG1 VAL 6 5.034 7.898 4.355 64 HG21 VAL 6 3HG2 VAL 6 4.783 11.563 4.068 65 HG22 VAL 6 1HG2 VAL 6 3.376 10.500 4.018 66 HG23 VAL 6 2HG2 VAL 6 4.852 10.046 3.168 67 H ASP 7 H ASP 7 3.332 10.153 8.834 68 HA ASP 7 HA ASP 7 5.836 9.533 10.179 69 HB2 ASP 7 2HB ASP 7 3.842 11.063 11.028 70 HB3 ASP 7 1HB ASP 7 3.202 9.525 11.599 71 H GLY 8 H GLY 8 5.269 7.785 12.092 72 HA2 GLY 8 2HA GLY 8 4.294 5.589 12.430 73 HA3 GLY 8 1HA GLY 8 4.220 5.411 10.681 74 HA PRO 9 HA PRO 9 8.176 3.503 12.346 75 HB2 PRO 9 2HB PRO 9 7.174 0.962 11.334 76 HB3 PRO 9 1HB PRO 9 7.702 1.380 12.967 77 HG2 PRO 9 2HG PRO 9 5.113 0.869 12.336 78 HG3 PRO 9 1HG PRO 9 5.590 1.975 13.635 79 HD2 PRO 9 2HD PRO 9 4.681 2.600 10.849 80 HD3 PRO 9 1HD PRO 9 4.278 3.414 12.377 81 H ARG 10 H ARG 10 9.901 2.668 11.098 82 HA ARG 10 HA ARG 10 9.842 3.313 8.318 83 HE ARG 10 HE ARG 10 13.451 5.770 10.820 84 HB2 ARG 10 2HB ARG 10 11.898 1.729 9.871 85 HB3 ARG 10 1HB ARG 10 12.127 2.425 8.275 86 HG2 ARG 10 2HG ARG 10 11.870 4.664 9.208 87 HG3 ARG 10 1HG ARG 10 11.629 3.966 10.812 88 HD2 ARG 10 2HD ARG 10 13.862 2.974 10.710 89 HD3 ARG 10 1HD ARG 10 14.102 3.680 9.113 90 HH11 ARG 10 1HH1 ARG 10 16.003 3.385 10.506 91 HH12 ARG 10 2HH1 ARG 10 17.217 4.396 11.225 92 HH21 ARG 10 1HH2 ARG 10 15.041 7.103 11.763 93 HH22 ARG 10 2HH2 ARG 10 16.674 6.525 11.918 94 H GLN 11 H GLN 11 9.319 0.468 10.191 95 HA GLN 11 HA GLN 11 8.429 -0.939 7.826 96 HB2 GLN 11 2HB GLN 11 9.638 -3.015 8.492 97 HB3 GLN 11 1HB GLN 11 10.690 -1.729 7.926 98 HG2 GLN 11 2HG GLN 11 11.182 -1.166 10.290 99 HG3 GLN 11 1HG GLN 11 10.223 -2.561 10.780 100 HE21 GLN 11 1HE2 GLN 11 11.993 -3.565 11.750 101 HE22 GLN 11 2HE2 GLN 11 13.272 -4.274 10.820 102 H VAL 12 H VAL 12 6.630 -2.026 8.193 103 HA VAL 12 HA VAL 12 5.764 -2.328 10.992 104 HB VAL 12 HB VAL 12 3.444 -2.372 10.101 105 HG11 VAL 12 1HG1 VAL 12 4.416 -0.305 10.971 106 HG12 VAL 12 2HG1 VAL 12 3.285 0.024 9.656 107 HG13 VAL 12 3HG1 VAL 12 5.023 0.089 9.363 108 HG21 VAL 12 3HG2 VAL 12 3.897 -3.138 7.840 109 HG22 VAL 12 1HG2 VAL 12 4.771 -1.646 7.488 110 HG23 VAL 12 2HG2 VAL 12 3.036 -1.598 7.800 111 H THR 13 H THR 13 4.165 -4.174 11.286 112 HA THR 13 HA THR 13 5.306 -6.534 9.947 113 HB THR 13 HB THR 13 3.820 -6.485 12.581 114 HG1 THR 13 HG1 THR 13 6.362 -5.674 11.949 115 HG21 THR 13 3HG2 THR 13 5.716 -8.498 11.354 116 HG22 THR 13 1HG2 THR 13 3.967 -8.677 11.483 117 HG23 THR 13 2HG2 THR 13 4.959 -8.633 12.941 118 H LEU 14 H LEU 14 3.945 -8.108 9.101 119 HA LEU 14 HA LEU 14 1.162 -7.273 8.690 120 HG LEU 14 HG LEU 14 2.297 -8.073 5.244 121 HB2 LEU 14 2HB LEU 14 2.836 -9.392 7.331 122 HB3 LEU 14 1HB LEU 14 1.141 -9.121 6.989 123 HD11 LEU 14 1HD1 LEU 14 1.660 -5.943 7.269 124 HD12 LEU 14 2HD1 LEU 14 0.537 -6.677 6.125 125 HD13 LEU 14 3HD1 LEU 14 1.870 -5.686 5.537 126 HD21 LEU 14 3HD2 LEU 14 4.500 -8.132 6.409 127 HD22 LEU 14 1HD2 LEU 14 4.044 -6.630 7.208 128 HD23 LEU 14 2HD2 LEU 14 4.194 -6.688 5.451 129 HA PRO 15 HA PRO 15 -0.388 -10.561 11.292 130 HB2 PRO 15 2HB PRO 15 -2.640 -11.276 9.921 131 HB3 PRO 15 1HB PRO 15 -2.535 -9.825 10.924 132 HG2 PRO 15 2HG PRO 15 -2.331 -10.103 7.957 133 HG3 PRO 15 1HG PRO 15 -3.121 -8.837 8.917 134 HD2 PRO 15 2HD PRO 15 -0.681 -8.524 7.750 135 HD3 PRO 15 1HD PRO 15 -1.157 -7.684 9.236 136 H ASP 16 H ASP 16 0.353 -10.890 7.981 137 HA ASP 16 HA ASP 16 0.137 -13.697 7.663 138 HB2 ASP 16 2HB ASP 16 2.068 -11.864 6.230 139 HB3 ASP 16 1HB ASP 16 1.395 -13.380 5.644 140 H GLY 17 H GLY 17 2.424 -11.639 9.217 141 HA2 GLY 17 2HA GLY 17 4.187 -12.452 10.612 142 HA3 GLY 17 1HA GLY 17 4.272 -13.898 9.607 143 H THR 18 H THR 18 3.869 -11.358 7.603 144 HA THR 18 HA THR 18 6.629 -11.402 6.745 145 HB THR 18 HB THR 18 4.346 -9.826 5.535 146 HG1 THR 18 HG1 THR 18 5.087 -12.530 5.002 147 HG21 THR 18 3HG2 THR 18 6.603 -9.353 4.662 148 HG22 THR 18 1HG2 THR 18 5.577 -10.126 3.453 149 HG23 THR 18 2HG2 THR 18 6.807 -11.067 4.296 150 H VAL 19 H VAL 19 7.713 -9.347 6.189 151 HA VAL 19 HA VAL 19 7.066 -7.187 8.082 152 HB VAL 19 HB VAL 19 9.723 -7.797 6.761 153 HG11 VAL 19 1HG1 VAL 19 9.459 -5.425 7.178 154 HG12 VAL 19 2HG1 VAL 19 10.637 -6.111 8.299 155 HG13 VAL 19 3HG1 VAL 19 9.001 -5.745 8.850 156 HG21 VAL 19 3HG2 VAL 19 9.216 -9.481 8.405 157 HG22 VAL 19 1HG2 VAL 19 8.801 -8.248 9.595 158 HG23 VAL 19 2HG2 VAL 19 10.467 -8.410 9.038 159 H LEU 20 H LEU 20 6.591 -5.220 7.279 160 HA LEU 20 HA LEU 20 6.927 -4.803 4.382 161 HG LEU 20 HG LEU 20 5.112 -2.194 4.382 162 HB2 LEU 20 2HB LEU 20 4.582 -5.096 4.987 163 HB3 LEU 20 1HB LEU 20 4.706 -3.828 6.186 164 HD11 LEU 20 1HD1 LEU 20 4.725 -2.834 2.058 165 HD12 LEU 20 2HD1 LEU 20 4.552 -4.521 2.544 166 HD13 LEU 20 3HD1 LEU 20 6.102 -3.704 2.735 167 HD21 LEU 20 3HD2 LEU 20 2.862 -2.577 5.238 168 HD22 LEU 20 1HD2 LEU 20 2.620 -3.856 4.047 169 HD23 LEU 20 2HD2 LEU 20 2.832 -2.186 3.520 170 H SER 21 H SER 21 8.802 -3.660 4.424 171 HA SER 21 HA SER 21 9.065 -1.401 6.227 172 HG SER 21 HG SER 21 10.689 -3.390 3.616 173 HB2 SER 21 2HB SER 21 11.307 -1.169 5.279 174 HB3 SER 21 1HB SER 21 11.022 -2.840 5.760 175 H ARG 22 H ARG 22 9.956 0.675 5.155 176 HA ARG 22 HA ARG 22 8.023 1.561 3.227 177 HE ARG 22 HE ARG 22 7.083 4.470 7.035 178 HB2 ARG 22 2HB ARG 22 10.398 2.891 4.526 179 HB3 ARG 22 1HB ARG 22 9.406 3.701 3.317 180 HG2 ARG 22 2HG ARG 22 7.448 3.465 4.715 181 HG3 ARG 22 1HG ARG 22 8.380 2.562 5.908 182 HD2 ARG 22 2HD ARG 22 9.691 4.474 6.444 183 HD3 ARG 22 1HD ARG 22 9.020 5.384 5.087 184 HH11 ARG 22 1HH1 ARG 22 9.233 7.067 6.100 185 HH12 ARG 22 2HH1 ARG 22 8.301 8.292 6.898 186 HH21 ARG 22 1HH2 ARG 22 5.856 6.084 8.083 187 HH22 ARG 22 2HH2 ARG 22 6.392 7.736 8.027 188 H ALA 23 H ALA 23 10.745 -0.228 2.954 189 HA ALA 23 HA ALA 23 11.373 0.723 0.255 190 HB1 ALA 23 3HB ALA 23 13.296 -0.761 0.361 191 HB2 ALA 23 1HB ALA 23 12.752 -1.382 1.921 192 HB3 ALA 23 2HB ALA 23 13.261 0.299 1.770 193 H ASP 24 H ASP 24 9.501 -1.582 1.896 194 HA ASP 24 HA ASP 24 9.563 -3.637 -0.121 195 HB2 ASP 24 2HB ASP 24 8.011 -3.200 2.396 196 HB3 ASP 24 1HB ASP 24 7.395 -4.346 1.210 197 H LEU 25 H LEU 25 7.918 -0.689 0.301 198 HA LEU 25 HA LEU 25 5.499 -1.092 -0.974 199 HG LEU 25 HG LEU 25 6.089 0.694 1.192 200 HB2 LEU 25 2HB LEU 25 7.356 1.267 -0.900 201 HB3 LEU 25 1HB LEU 25 5.822 1.331 -1.749 202 HD11 LEU 25 1HD1 LEU 25 5.276 2.975 1.565 203 HD12 LEU 25 2HD1 LEU 25 5.374 3.290 -0.167 204 HD13 LEU 25 3HD1 LEU 25 6.843 2.968 0.755 205 HD21 LEU 25 3HD2 LEU 25 4.073 -0.193 0.129 206 HD22 LEU 25 1HD2 LEU 25 3.703 1.405 -0.515 207 HD23 LEU 25 2HD2 LEU 25 3.684 1.130 1.226 208 HA PRO 26 HA PRO 26 6.493 -2.351 -5.088 209 HB2 PRO 26 2HB PRO 26 4.234 -1.359 -6.322 210 HB3 PRO 26 1HB PRO 26 4.295 -2.889 -5.442 211 HG2 PRO 26 2HG PRO 26 3.316 -0.217 -4.529 212 HG3 PRO 26 1HG PRO 26 2.635 -1.829 -4.235 213 HD2 PRO 26 2HD PRO 26 4.056 -0.544 -2.359 214 HD3 PRO 26 1HD PRO 26 4.158 -2.306 -2.558 215 HA PRO 27 HA PRO 27 8.395 1.031 -7.192 216 HB2 PRO 27 2HB PRO 27 7.353 -0.108 -9.728 217 HB3 PRO 27 1HB PRO 27 9.019 0.236 -9.252 218 HG2 PRO 27 2HG PRO 27 8.116 -2.271 -9.343 219 HG3 PRO 27 1HG PRO 27 9.230 -1.745 -8.064 220 HD2 PRO 27 2HD PRO 27 6.271 -2.185 -7.947 221 HD3 PRO 27 1HD PRO 27 7.518 -2.573 -6.744 222 H LEU 28 H LEU 28 7.952 2.977 -8.249 223 HA LEU 28 HA LEU 28 5.186 3.793 -8.087 224 HG LEU 28 HG LEU 28 7.860 4.657 -6.601 225 HB2 LEU 28 2HB LEU 28 7.624 5.353 -8.954 226 HB3 LEU 28 1HB LEU 28 6.047 6.028 -8.592 227 HD11 LEU 28 1HD1 LEU 28 8.738 6.814 -7.286 228 HD12 LEU 28 2HD1 LEU 28 8.112 6.897 -5.639 229 HD13 LEU 28 3HD1 LEU 28 7.175 7.569 -6.973 230 HD21 LEU 28 3HD2 LEU 28 6.265 5.439 -4.932 231 HD22 LEU 28 1HD2 LEU 28 5.492 4.351 -6.086 232 HD23 LEU 28 2HD2 LEU 28 5.237 6.093 -6.209 233 H ASP 29 H ASP 29 7.414 2.804 -10.501 234 HA ASP 29 HA ASP 29 6.090 4.087 -12.711 235 HB2 ASP 29 2HB ASP 29 8.228 1.945 -12.663 236 HB3 ASP 29 1HB ASP 29 7.683 2.798 -14.103 237 H THR 30 H THR 30 5.555 1.270 -10.916 238 HA THR 30 HA THR 30 4.705 -0.414 -13.062 239 HB THR 30 HB THR 30 5.548 -1.190 -10.759 240 HG1 THR 30 HG1 THR 30 4.628 -2.626 -12.287 241 HG21 THR 30 3HG2 THR 30 3.849 -1.548 -9.048 242 HG22 THR 30 1HG2 THR 30 2.659 -0.702 -10.038 243 HG23 THR 30 2HG2 THR 30 4.043 0.173 -9.381 244 H ARG 31 H ARG 31 2.718 -0.740 -13.875 245 HA ARG 31 HA ARG 31 0.505 0.787 -12.679 246 HE ARG 31 HE ARG 31 0.824 3.682 -14.202 247 HB2 ARG 31 2HB ARG 31 1.481 1.707 -14.863 248 HB3 ARG 31 1HB ARG 31 0.792 0.288 -15.638 249 HG2 ARG 31 2HG ARG 31 -0.621 2.295 -15.819 250 HG3 ARG 31 1HG ARG 31 -1.423 0.949 -15.010 251 HD2 ARG 31 2HD ARG 31 -1.843 3.095 -13.887 252 HD3 ARG 31 1HD ARG 31 -1.000 1.948 -12.849 253 HH11 ARG 31 1HH1 ARG 31 -1.408 3.506 -11.516 254 HH12 ARG 31 2HH1 ARG 31 -0.586 4.710 -10.573 255 HH21 ARG 31 1HH2 ARG 31 1.895 5.307 -12.977 256 HH22 ARG 31 2HH2 ARG 31 1.301 5.717 -11.397 257 H ARG 32 H ARG 32 1.675 -2.124 -14.126 258 HA ARG 32 HA ARG 32 -0.850 -3.471 -14.174 259 HE ARG 32 HE ARG 32 -0.110 -6.296 -16.926 260 HB2 ARG 32 2HB ARG 32 0.967 -4.281 -15.577 261 HB3 ARG 32 1HB ARG 32 1.980 -4.542 -14.167 262 HG2 ARG 32 2HG ARG 32 0.589 -6.338 -13.417 263 HG3 ARG 32 1HG ARG 32 -0.609 -5.996 -14.664 264 HD2 ARG 32 2HD ARG 32 2.236 -6.761 -15.279 265 HD3 ARG 32 1HD ARG 32 0.935 -7.940 -15.118 266 HH11 ARG 32 1HH1 ARG 32 3.130 -7.619 -16.724 267 HH12 ARG 32 2HH1 ARG 32 3.354 -7.680 -18.446 268 HH21 ARG 32 1HH2 ARG 32 0.171 -6.388 -19.181 269 HH22 ARG 32 2HH2 ARG 32 1.672 -6.966 -19.847 270 H TRP 33 H TRP 33 -1.635 -2.834 -12.151 271 HA TRP 33 HA TRP 33 -0.270 -3.592 -9.749 272 HD1 TRP 33 HD1 TRP 33 -2.136 -0.072 -11.180 273 HE1 TRP 33 HE1 TRP 33 -0.529 1.731 -10.277 274 HE3 TRP 33 HE3 TRP 33 -0.226 -2.615 -7.187 275 HZ2 TRP 33 HZ2 TRP 33 1.288 2.034 -8.140 276 HZ3 TRP 33 HZ3 TRP 33 1.435 -1.499 -5.759 277 HH2 TRP 33 HH2 TRP 33 2.180 0.774 -6.233 278 HB2 TRP 33 2HB TRP 33 -2.965 -2.375 -10.301 279 HB3 TRP 33 1HB TRP 33 -2.463 -2.832 -8.674 280 H VAL 34 H VAL 34 -0.024 -5.766 -9.641 281 HA VAL 34 HA VAL 34 -2.264 -7.554 -9.811 282 HB VAL 34 HB VAL 34 -0.735 -9.287 -9.006 283 HG11 VAL 34 1HG1 VAL 34 0.471 -7.511 -11.121 284 HG12 VAL 34 2HG1 VAL 34 -0.723 -8.783 -11.371 285 HG13 VAL 34 3HG1 VAL 34 0.906 -9.195 -10.839 286 HG21 VAL 34 3HG2 VAL 34 1.258 -7.050 -8.689 287 HG22 VAL 34 1HG2 VAL 34 1.618 -8.771 -8.544 288 HG23 VAL 34 2HG2 VAL 34 0.531 -7.995 -7.390 289 H ALA 35 H ALA 35 -2.746 -9.020 -7.901 290 HA ALA 35 HA ALA 35 -3.988 -7.490 -5.942 291 HB1 ALA 35 3HB ALA 35 -4.449 -9.593 -4.797 292 HB2 ALA 35 1HB ALA 35 -3.252 -10.410 -5.802 293 HB3 ALA 35 2HB ALA 35 -4.711 -9.739 -6.535 294 H SER 36 H SER 36 -0.940 -9.314 -5.721 295 HA SER 36 HA SER 36 -0.531 -8.865 -2.970 296 HG SER 36 HG SER 36 0.075 -11.088 -5.106 297 HB2 SER 36 2HB SER 36 1.522 -9.419 -5.122 298 HB3 SER 36 1HB SER 36 1.770 -9.608 -3.384 299 H ARG 37 H ARG 37 0.382 -6.954 -5.794 300 HA ARG 37 HA ARG 37 2.068 -5.163 -4.339 301 HE ARG 37 HE ARG 37 4.919 -6.162 -8.159 302 HB2 ARG 37 2HB ARG 37 0.736 -4.935 -7.039 303 HB3 ARG 37 1HB ARG 37 1.788 -3.690 -6.379 304 HG2 ARG 37 2HG ARG 37 3.621 -5.310 -6.260 305 HG3 ARG 37 1HG ARG 37 2.562 -6.544 -6.941 306 HD2 ARG 37 2HD ARG 37 2.313 -5.197 -8.975 307 HD3 ARG 37 1HD ARG 37 3.388 -3.977 -8.290 308 HH11 ARG 37 1HH1 ARG 37 2.972 -4.877 -10.783 309 HH12 ARG 37 2HH1 ARG 37 4.000 -5.514 -12.025 310 HH21 ARG 37 1HH2 ARG 37 6.268 -7.001 -9.791 311 HH22 ARG 37 2HH2 ARG 37 5.855 -6.746 -11.464 312 H LYS 38 H LYS 38 -1.313 -5.121 -5.347 313 HA LYS 38 HA LYS 38 -1.963 -2.594 -4.277 314 HB2 LYS 38 2HB LYS 38 -3.691 -5.052 -4.650 315 HB3 LYS 38 1HB LYS 38 -4.307 -3.467 -4.214 316 HG2 LYS 38 2HG LYS 38 -3.266 -2.611 -6.352 317 HG3 LYS 38 1HG LYS 38 -3.008 -4.301 -6.787 318 HD2 LYS 38 2HD LYS 38 -5.351 -4.747 -6.760 319 HD3 LYS 38 1HD LYS 38 -5.700 -3.175 -6.040 320 HE2 LYS 38 2HE LYS 38 -4.698 -2.141 -8.118 321 HE3 LYS 38 1HE LYS 38 -4.715 -3.758 -8.822 322 HZ1 LYS 38 3HZ LYS 38 -6.681 -2.229 -9.282 323 HZ2 LYS 38 1HZ LYS 38 -7.164 -2.553 -7.693 324 HZ3 LYS 38 2HZ LYS 38 -7.033 -3.818 -8.811 325 H ALA 39 H ALA 39 -1.961 -5.843 -2.904 326 HA ALA 39 HA ALA 39 -3.039 -5.269 -0.395 327 HB1 ALA 39 3HB ALA 39 -0.976 -7.350 -1.103 328 HB2 ALA 39 1HB ALA 39 -2.725 -7.541 -1.221 329 HB3 ALA 39 2HB ALA 39 -1.965 -7.327 0.354 330 H ALA 40 H ALA 40 0.340 -5.242 -1.487 331 HA ALA 40 HA ALA 40 1.560 -4.693 0.958 332 HB1 ALA 40 3HB ALA 40 3.452 -3.861 -0.346 333 HB2 ALA 40 1HB ALA 40 2.439 -3.803 -1.789 334 HB3 ALA 40 2HB ALA 40 2.808 -5.353 -1.031 335 H VAL 41 H VAL 41 0.188 -2.475 -1.437 336 HA VAL 41 HA VAL 41 1.059 -0.092 -0.165 337 HB VAL 41 HB VAL 41 -1.253 -0.495 -2.067 338 HG11 VAL 41 1HG1 VAL 41 -1.032 1.908 -2.522 339 HG12 VAL 41 2HG1 VAL 41 0.179 2.030 -1.247 340 HG13 VAL 41 3HG1 VAL 41 -1.479 1.592 -0.847 341 HG21 VAL 41 3HG2 VAL 41 1.600 0.327 -2.579 342 HG22 VAL 41 1HG2 VAL 41 0.310 0.302 -3.779 343 HG23 VAL 41 2HG2 VAL 41 0.851 -1.201 -3.037 344 H VAL 42 H VAL 42 -2.065 -1.813 -0.132 345 HA VAL 42 HA VAL 42 -3.311 0.128 1.514 346 HB VAL 42 HB VAL 42 -4.597 -1.375 0.045 347 HG11 VAL 42 1HG1 VAL 42 -5.095 -3.666 0.729 348 HG12 VAL 42 2HG1 VAL 42 -3.950 -3.517 2.060 349 HG13 VAL 42 3HG1 VAL 42 -3.377 -3.451 0.395 350 HG21 VAL 42 3HG2 VAL 42 -5.732 -0.217 1.828 351 HG22 VAL 42 1HG2 VAL 42 -5.323 -1.502 2.963 352 HG23 VAL 42 2HG2 VAL 42 -6.430 -1.824 1.629 353 H LYS 43 H LYS 43 -1.670 -2.944 2.241 354 HA LYS 43 HA LYS 43 -2.292 -3.008 4.991 355 HB2 LYS 43 2HB LYS 43 0.118 -4.092 3.525 356 HB3 LYS 43 1HB LYS 43 -0.227 -4.411 5.218 357 HG2 LYS 43 2HG LYS 43 -2.314 -5.519 4.580 358 HG3 LYS 43 1HG LYS 43 -1.944 -5.218 2.879 359 HD2 LYS 43 2HD LYS 43 0.120 -6.529 3.101 360 HD3 LYS 43 1HD LYS 43 -0.261 -6.837 4.794 361 HE2 LYS 43 2HE LYS 43 -2.340 -7.977 4.063 362 HE3 LYS 43 1HE LYS 43 -1.830 -7.751 2.389 363 HZ1 LYS 43 3HZ LYS 43 -1.167 -9.916 3.005 364 HZ2 LYS 43 1HZ LYS 43 -0.513 -9.399 4.481 365 HZ3 LYS 43 2HZ LYS 43 0.249 -8.987 3.024 366 H ALA 44 H ALA 44 0.163 -1.327 3.150 367 HA ALA 44 HA ALA 44 1.814 -0.502 5.261 368 HB1 ALA 44 3HB ALA 44 2.423 -0.326 2.877 369 HB2 ALA 44 1HB ALA 44 2.650 1.189 3.748 370 HB3 ALA 44 2HB ALA 44 1.250 0.977 2.695 371 H VAL 45 H VAL 45 -0.973 1.089 3.750 372 HA VAL 45 HA VAL 45 -0.939 3.374 5.415 373 HB VAL 45 HB VAL 45 -3.273 2.135 3.950 374 HG11 VAL 45 1HG1 VAL 45 -4.275 4.376 4.071 375 HG12 VAL 45 2HG1 VAL 45 -2.929 4.911 5.080 376 HG13 VAL 45 3HG1 VAL 45 -4.033 3.669 5.668 377 HG21 VAL 45 3HG2 VAL 45 -2.780 3.801 2.210 378 HG22 VAL 45 1HG2 VAL 45 -1.444 2.674 2.448 379 HG23 VAL 45 2HG2 VAL 45 -1.350 4.304 3.114 380 H ILE 46 H ILE 46 -2.716 0.316 5.598 381 HA ILE 46 HA ILE 46 -4.299 0.943 7.826 382 HB ILE 46 HB ILE 46 -3.328 -1.756 6.871 383 HG12 ILE 46 2HG1 ILE 46 -5.955 -0.314 6.415 384 HG13 ILE 46 1HG1 ILE 46 -4.655 -0.434 5.234 385 HG21 ILE 46 1HG2 ILE 46 -4.042 -1.911 9.181 386 HG22 ILE 46 2HG2 ILE 46 -5.238 -2.671 8.130 387 HG23 ILE 46 3HG2 ILE 46 -5.543 -1.067 8.799 388 HD11 ILE 46 3HD1 ILE 46 -4.932 -2.851 5.161 389 HD12 ILE 46 1HD1 ILE 46 -6.443 -2.025 4.776 390 HD13 ILE 46 2HD1 ILE 46 -6.210 -2.747 6.371 391 H HIS 47 H HIS 47 -1.048 -0.468 7.629 392 HA HIS 47 HA HIS 47 -0.979 -0.869 10.500 393 HD1 HIS 47 HD1 HIS 47 -0.738 -3.154 11.185 394 HD2 HIS 47 HD2 HIS 47 0.508 -3.753 7.263 395 HE1 HIS 47 HE1 HIS 47 -1.503 -5.471 10.577 396 HE2 HIS 47 HE2 HIS 47 -0.586 -5.868 8.269 397 HB2 HIS 47 2HB HIS 47 1.060 -1.363 8.339 398 HB3 HIS 47 1HB HIS 47 1.415 -1.578 10.049 399 H GLY 48 H GLY 48 -0.580 1.791 8.590 400 HA2 GLY 48 2HA GLY 48 -0.022 3.922 9.312 401 HA3 GLY 48 1HA GLY 48 0.598 3.225 10.803 402 H LEU 49 H LEU 49 1.702 1.909 7.829 403 HA LEU 49 HA LEU 49 4.411 2.690 8.321 404 HG LEU 49 HG LEU 49 5.490 2.356 5.532 405 HB2 LEU 49 2HB LEU 49 3.775 0.552 7.232 406 HB3 LEU 49 1HB LEU 49 3.150 1.454 5.864 407 HD11 LEU 49 1HD1 LEU 49 7.316 1.073 6.520 408 HD12 LEU 49 2HD1 LEU 49 6.153 0.154 7.477 409 HD13 LEU 49 3HD1 LEU 49 6.352 1.883 7.758 410 HD21 LEU 49 3HD2 LEU 49 5.049 -0.614 5.298 411 HD22 LEU 49 1HD2 LEU 49 6.269 0.312 4.424 412 HD23 LEU 49 2HD2 LEU 49 4.554 0.609 4.129 413 H ILE 50 H ILE 50 1.950 3.469 5.929 414 HA ILE 50 HA ILE 50 3.150 6.127 5.591 415 HB ILE 50 HB ILE 50 2.558 6.150 3.217 416 HG12 ILE 50 2HG1 ILE 50 1.954 3.201 3.459 417 HG13 ILE 50 1HG1 ILE 50 0.708 4.443 3.465 418 HG21 ILE 50 1HG2 ILE 50 4.820 5.488 3.805 419 HG22 ILE 50 2HG2 ILE 50 4.277 4.624 2.366 420 HG23 ILE 50 3HG2 ILE 50 4.312 3.803 3.926 421 HD11 ILE 50 3HD1 ILE 50 0.970 3.413 1.271 422 HD12 ILE 50 1HD1 ILE 50 2.656 3.933 1.228 423 HD13 ILE 50 2HD1 ILE 50 1.363 5.133 1.235 424 H THR 51 H THR 51 1.317 7.466 4.253 425 HA THR 51 HA THR 51 -1.180 6.876 5.675 426 HB THR 51 HB THR 51 -0.088 9.055 6.256 427 HG1 THR 51 HG1 THR 51 -2.250 10.222 5.454 428 HG21 THR 51 3HG2 THR 51 0.794 9.624 4.045 429 HG22 THR 51 1HG2 THR 51 -0.239 10.909 4.672 430 HG23 THR 51 2HG2 THR 51 -0.849 9.810 3.435 431 H GLU 52 H GLU 52 -3.178 7.334 4.571 432 HA GLU 52 HA GLU 52 -3.396 5.979 2.165 433 HB2 GLU 52 2HB GLU 52 -5.205 6.432 3.853 434 HB3 GLU 52 1HB GLU 52 -5.335 8.055 3.196 435 HG2 GLU 52 2HG GLU 52 -5.934 7.080 1.010 436 HG3 GLU 52 1HG GLU 52 -5.880 5.478 1.740 437 H ARG 53 H ARG 53 -3.276 9.476 2.740 438 HA ARG 53 HA ARG 53 -3.710 10.192 0.030 439 HE ARG 53 HE ARG 53 -7.186 11.684 0.801 440 HB2 ARG 53 2HB ARG 53 -2.784 11.671 2.461 441 HB3 ARG 53 1HB ARG 53 -2.700 12.437 0.878 442 HG2 ARG 53 2HG ARG 53 -5.201 11.258 2.057 443 HG3 ARG 53 1HG ARG 53 -4.761 12.966 2.144 444 HD2 ARG 53 2HD ARG 53 -4.889 13.213 -0.207 445 HD3 ARG 53 1HD ARG 53 -4.970 11.468 -0.454 446 HH11 ARG 53 1HH1 ARG 53 -5.867 14.148 -1.318 447 HH12 ARG 53 2HH1 ARG 53 -7.428 14.773 -1.774 448 HH21 ARG 53 1HH2 ARG 53 -9.230 12.513 0.228 449 HH22 ARG 53 2HH2 ARG 53 -9.340 13.856 -0.870 450 H GLU 54 H GLU 54 -0.926 9.145 1.732 451 HA GLU 54 HA GLU 54 0.976 10.304 -0.088 452 HB2 GLU 54 2HB GLU 54 1.711 9.842 2.165 453 HB3 GLU 54 1HB GLU 54 1.239 8.154 2.022 454 HG2 GLU 54 2HG GLU 54 3.609 8.289 1.846 455 HG3 GLU 54 1HG GLU 54 2.959 7.871 0.264 456 H ALA 55 H ALA 55 -0.671 7.236 0.344 457 HA ALA 55 HA ALA 55 0.730 5.810 -1.663 458 HB1 ALA 55 3HB ALA 55 -0.594 4.675 0.037 459 HB2 ALA 55 1HB ALA 55 -1.144 4.232 -1.578 460 HB3 ALA 55 2HB ALA 55 -2.070 5.385 -0.616 461 H LEU 56 H LEU 56 -2.353 7.564 -1.699 462 HA LEU 56 HA LEU 56 -2.987 7.179 -4.409 463 HG LEU 56 HG LEU 56 -4.342 7.551 -1.523 464 HB2 LEU 56 2HB LEU 56 -3.638 9.596 -2.722 465 HB3 LEU 56 1HB LEU 56 -4.503 9.042 -4.144 466 HD11 LEU 56 1HD1 LEU 56 -6.709 8.174 -1.291 467 HD12 LEU 56 2HD1 LEU 56 -6.568 9.188 -2.728 468 HD13 LEU 56 3HD1 LEU 56 -5.637 9.574 -1.280 469 HD21 LEU 56 3HD2 LEU 56 -4.598 6.052 -3.410 470 HD22 LEU 56 1HD2 LEU 56 -5.939 7.019 -4.025 471 HD23 LEU 56 2HD2 LEU 56 -6.106 6.150 -2.500 472 H ASP 57 H ASP 57 -0.935 9.470 -2.779 473 HA ASP 57 HA ASP 57 -0.600 11.325 -4.884 474 HB2 ASP 57 2HB ASP 57 -0.124 11.778 -2.487 475 HB3 ASP 57 1HB ASP 57 1.258 10.696 -2.581 476 H ARG 58 H ARG 58 1.485 8.683 -3.716 477 HA ARG 58 HA ARG 58 3.477 9.277 -5.689 478 HE ARG 58 HE ARG 58 4.146 7.640 -1.354 479 HB2 ARG 58 2HB ARG 58 4.718 7.397 -4.735 480 HB3 ARG 58 1HB ARG 58 4.133 8.485 -3.486 481 HG2 ARG 58 2HG ARG 58 2.340 6.951 -2.949 482 HG3 ARG 58 1HG ARG 58 2.857 5.866 -4.241 483 HD2 ARG 58 2HD ARG 58 3.641 5.127 -2.030 484 HD3 ARG 58 1HD ARG 58 4.975 5.496 -3.122 485 HH11 ARG 58 1HH1 ARG 58 6.331 4.965 -1.904 486 HH12 ARG 58 2HH1 ARG 58 7.536 5.548 -0.798 487 HH21 ARG 58 1HH2 ARG 58 5.725 8.430 0.101 488 HH22 ARG 58 2HH2 ARG 58 7.198 7.530 0.327 489 H TYR 59 H TYR 59 0.881 6.927 -5.448 490 HA TYR 59 HA TYR 59 1.964 5.486 -7.758 491 HD1 TYR 59 HD2 TYR 59 2.892 3.389 -7.118 492 HD2 TYR 59 HD1 TYR 59 0.274 4.162 -3.854 493 HE1 TYR 59 HE2 TYR 59 4.480 2.296 -5.594 494 HE2 TYR 59 HE1 TYR 59 1.857 3.076 -2.322 495 HH TYR 59 HH TYR 59 5.048 2.296 -3.225 496 HB2 TYR 59 2HB TYR 59 -0.370 4.809 -5.963 497 HB3 TYR 59 1HB TYR 59 0.214 3.809 -7.288 498 H SER 60 H SER 60 0.141 8.112 -7.328 499 HA SER 60 HA SER 60 -1.377 9.272 -8.546 500 HG SER 60 HG SER 60 1.274 8.236 -10.210 501 HB2 SER 60 2HB SER 60 -0.633 7.364 -10.775 502 HB3 SER 60 1HB SER 60 -1.344 8.970 -10.952 503 H LEU 61 H LEU 61 -2.859 8.104 -7.002 504 HA LEU 61 HA LEU 61 -4.777 6.435 -8.506 505 HG LEU 61 HG LEU 61 -2.269 5.230 -7.058 506 HB2 LEU 61 2HB LEU 61 -4.060 6.164 -5.586 507 HB3 LEU 61 1HB LEU 61 -5.228 5.191 -6.457 508 HD11 LEU 61 1HD1 LEU 61 -2.687 4.327 -4.839 509 HD12 LEU 61 2HD1 LEU 61 -2.215 3.047 -5.957 510 HD13 LEU 61 3HD1 LEU 61 -3.906 3.238 -5.499 511 HD21 LEU 61 3HD2 LEU 61 -4.481 3.393 -7.981 512 HD22 LEU 61 1HD2 LEU 61 -2.766 3.217 -8.352 513 HD23 LEU 61 2HD2 LEU 61 -3.662 4.605 -8.965 514 H SER 62 H SER 62 -6.969 6.481 -7.631 515 HA SER 62 HA SER 62 -7.634 9.037 -6.351 516 HG SER 62 HG SER 62 -8.017 9.308 -8.690 517 HB2 SER 62 2HB SER 62 -9.490 7.089 -7.752 518 HB3 SER 62 1HB SER 62 -9.891 8.714 -7.200 519 H GLU 63 H GLU 63 -9.431 8.921 -4.689 520 HA GLU 63 HA GLU 63 -8.685 7.053 -2.709 521 HB2 GLU 63 2HB GLU 63 -9.704 9.427 -2.466 522 HB3 GLU 63 1HB GLU 63 -11.251 8.600 -2.612 523 HG2 GLU 63 2HG GLU 63 -10.766 7.244 -0.697 524 HG3 GLU 63 1HG GLU 63 -9.139 7.910 -0.599 525 H GLU 64 H GLU 64 -11.360 7.219 -4.990 526 HA GLU 64 HA GLU 64 -12.854 5.054 -3.977 527 HB2 GLU 64 2HB GLU 64 -13.868 4.955 -6.219 528 HB3 GLU 64 1HB GLU 64 -13.792 6.599 -5.599 529 HG2 GLU 64 2HG GLU 64 -11.619 6.791 -6.950 530 HG3 GLU 64 1HG GLU 64 -12.174 5.334 -7.775 531 H GLU 65 H GLU 65 -10.007 5.212 -5.966 532 HA GLU 65 HA GLU 65 -9.946 2.513 -6.832 533 HB2 GLU 65 2HB GLU 65 -8.588 4.272 -7.877 534 HB3 GLU 65 1HB GLU 65 -7.703 4.500 -6.378 535 HG2 GLU 65 2HG GLU 65 -6.315 3.251 -7.809 536 HG3 GLU 65 1HG GLU 65 -6.923 2.130 -6.594 537 H PHE 66 H PHE 66 -8.357 4.229 -4.159 538 HA PHE 66 HA PHE 66 -7.119 2.007 -2.983 539 HD1 PHE 66 HD2 PHE 66 -4.760 2.993 -1.728 540 HD2 PHE 66 HD1 PHE 66 -8.233 3.655 0.639 541 HE1 PHE 66 HE2 PHE 66 -3.543 2.224 0.268 542 HE2 PHE 66 HE1 PHE 66 -7.024 2.895 2.637 543 HZ PHE 66 HZ PHE 66 -4.675 2.173 2.452 544 HB2 PHE 66 2HB PHE 66 -6.623 4.416 -2.497 545 HB3 PHE 66 1HB PHE 66 -8.115 4.495 -1.571 546 H ALA 67 H ALA 67 -10.357 3.332 -2.651 547 HA ALA 67 HA ALA 67 -11.260 1.814 -0.480 548 HB1 ALA 67 3HB ALA 67 -13.507 2.219 -1.331 549 HB2 ALA 67 1HB ALA 67 -12.840 2.725 -2.884 550 HB3 ALA 67 2HB ALA 67 -12.523 3.679 -1.435 551 H LEU 68 H LEU 68 -11.042 1.045 -3.917 552 HA LEU 68 HA LEU 68 -12.289 -1.502 -3.766 553 HG LEU 68 HG LEU 68 -12.420 0.792 -5.799 554 HB2 LEU 68 2HB LEU 68 -10.254 -0.432 -5.725 555 HB3 LEU 68 1HB LEU 68 -11.131 -1.934 -5.927 556 HD11 LEU 68 1HD1 LEU 68 -11.835 -0.982 -8.164 557 HD12 LEU 68 2HD1 LEU 68 -11.044 0.550 -7.798 558 HD13 LEU 68 3HD1 LEU 68 -12.759 0.518 -8.203 559 HD21 LEU 68 3HD2 LEU 68 -14.407 -0.378 -6.588 560 HD22 LEU 68 1HD2 LEU 68 -13.866 -1.032 -5.043 561 HD23 LEU 68 2HD2 LEU 68 -13.536 -1.911 -6.535 562 H TRP 69 H TRP 69 -8.921 -0.413 -3.614 563 HA TRP 69 HA TRP 69 -7.669 -2.902 -3.517 564 HD1 TRP 69 HD1 TRP 69 -7.969 -0.785 -5.325 565 HE1 TRP 69 HE1 TRP 69 -6.461 -0.025 -7.260 566 HE3 TRP 69 HE3 TRP 69 -3.498 -0.657 -2.843 567 HZ2 TRP 69 HZ2 TRP 69 -3.722 0.533 -7.678 568 HZ3 TRP 69 HZ3 TRP 69 -1.484 -0.003 -4.090 569 HH2 TRP 69 HH2 TRP 69 -1.595 0.576 -6.455 570 HB2 TRP 69 2HB TRP 69 -6.845 -0.283 -2.246 571 HB3 TRP 69 1HB TRP 69 -5.808 -1.702 -2.318 572 H ARG 70 H ARG 70 -8.673 -0.870 -0.744 573 HA ARG 70 HA ARG 70 -7.886 -2.780 1.178 574 HE ARG 70 HE ARG 70 -12.249 1.459 1.901 575 HB2 ARG 70 2HB ARG 70 -9.162 -1.443 2.792 576 HB3 ARG 70 1HB ARG 70 -8.116 -0.452 1.790 577 HG2 ARG 70 2HG ARG 70 -10.112 0.106 0.399 578 HG3 ARG 70 1HG ARG 70 -11.102 -0.748 1.585 579 HD2 ARG 70 2HD ARG 70 -10.263 0.754 3.343 580 HD3 ARG 70 1HD ARG 70 -9.327 1.627 2.132 581 HH11 ARG 70 1HH1 ARG 70 -9.343 3.357 2.305 582 HH12 ARG 70 2HH1 ARG 70 -10.130 4.875 2.056 583 HH21 ARG 70 1HH2 ARG 70 -13.312 3.463 1.575 584 HH22 ARG 70 2HH2 ARG 70 -12.401 4.942 1.625 585 H SER 71 H SER 71 -10.788 -2.430 -0.699 586 HA SER 71 HA SER 71 -12.340 -4.186 0.972 587 HG SER 71 HG SER 71 -13.125 -1.419 -0.514 588 HB2 SER 71 2HB SER 71 -12.845 -3.100 -1.804 589 HB3 SER 71 1HB SER 71 -14.006 -4.048 -0.872 590 H ALA 72 H ALA 72 -10.242 -4.504 -1.789 591 HA ALA 72 HA ALA 72 -11.164 -7.192 -2.370 592 HB1 ALA 72 3HB ALA 72 -9.526 -7.134 -4.179 593 HB2 ALA 72 1HB ALA 72 -8.922 -5.588 -3.582 594 HB3 ALA 72 2HB ALA 72 -10.567 -5.712 -4.205 595 H VAL 73 H VAL 73 -8.845 -5.743 -0.339 596 HA VAL 73 HA VAL 73 -7.385 -8.292 -0.161 597 HB VAL 73 HB VAL 73 -6.373 -5.532 0.542 598 HG11 VAL 73 1HG1 VAL 73 -4.963 -8.201 0.595 599 HG12 VAL 73 2HG1 VAL 73 -5.423 -7.242 2.001 600 HG13 VAL 73 3HG1 VAL 73 -4.206 -6.635 0.880 601 HG21 VAL 73 3HG2 VAL 73 -6.547 -5.882 -1.868 602 HG22 VAL 73 1HG2 VAL 73 -5.613 -7.371 -1.725 603 HG23 VAL 73 2HG2 VAL 73 -4.861 -5.820 -1.352 604 H ALA 74 H ALA 74 -8.020 -5.463 1.929 605 HA ALA 74 HA ALA 74 -7.411 -6.991 4.257 606 HB1 ALA 74 3HB ALA 74 -8.621 -4.240 4.041 607 HB2 ALA 74 1HB ALA 74 -6.897 -4.609 4.082 608 HB3 ALA 74 2HB ALA 74 -7.906 -4.956 5.486 609 H ALA 75 H ALA 75 -10.395 -5.926 2.734 610 HA ALA 75 HA ALA 75 -11.900 -7.200 4.932 611 HB1 ALA 75 3HB ALA 75 -12.193 -4.773 4.873 612 HB2 ALA 75 1HB ALA 75 -13.699 -5.615 4.503 613 HB3 ALA 75 2HB ALA 75 -12.758 -4.880 3.204 614 H HIS 76 H HIS 76 -10.897 -8.290 2.282 615 HA HIS 76 HA HIS 76 -13.352 -8.722 0.800 616 HD1 HIS 76 HD1 HIS 76 -10.968 -11.407 -1.924 617 HD2 HIS 76 HD2 HIS 76 -13.853 -8.437 -1.515 618 HE1 HIS 76 HE1 HIS 76 -12.431 -11.592 -3.961 619 HE2 HIS 76 HE2 HIS 76 -14.301 -9.945 -3.571 620 HB2 HIS 76 2HB HIS 76 -10.938 -8.509 -0.165 621 HB3 HIS 76 1HB HIS 76 -10.799 -10.212 0.262 622 H GLY 77 H GLY 77 -11.904 -10.065 3.481 623 HA2 GLY 77 2HA GLY 77 -12.882 -12.767 3.023 624 HA3 GLY 77 1HA GLY 77 -12.014 -12.196 4.442 625 H GLU 78 H GLU 78 -14.979 -11.048 2.860 626 HA GLU 78 HA GLU 78 -16.231 -10.799 5.462 627 HB2 GLU 78 2HB GLU 78 -18.083 -9.728 4.183 628 HB3 GLU 78 1HB GLU 78 -16.524 -8.945 3.977 629 HG2 GLU 78 2HG GLU 78 -16.255 -9.888 1.807 630 HG3 GLU 78 1HG GLU 78 -17.670 -10.918 2.021 631 H LYS 79 H LYS 79 -15.714 -13.401 3.909 632 HA LYS 79 HA LYS 79 -18.197 -14.636 3.421 633 HB2 LYS 79 2HB LYS 79 -15.599 -15.854 4.391 634 HB3 LYS 79 1HB LYS 79 -16.970 -16.763 3.774 635 HG2 LYS 79 2HG LYS 79 -15.429 -14.729 2.178 636 HG3 LYS 79 1HG LYS 79 -15.132 -16.467 2.140 637 HD2 LYS 79 2HD LYS 79 -17.722 -15.104 1.396 638 HD3 LYS 79 1HD LYS 79 -16.534 -15.747 0.262 639 HE2 LYS 79 2HE LYS 79 -18.109 -17.328 2.291 640 HE3 LYS 79 1HE LYS 79 -18.390 -17.300 0.552 641 HZ1 LYS 79 3HZ LYS 79 -17.166 -19.263 1.176 642 HZ2 LYS 79 1HZ LYS 79 -15.958 -18.331 1.917 643 HZ3 LYS 79 2HZ LYS 79 -16.171 -18.254 0.239 644 H ALA 80 H ALA 80 -16.150 -14.436 6.284 645 HA ALA 80 HA ALA 80 -18.500 -14.673 7.975 646 HB1 ALA 80 3HB ALA 80 -16.082 -16.439 8.380 647 HB2 ALA 80 1HB ALA 80 -17.637 -16.981 7.748 648 HB3 ALA 80 2HB ALA 80 -17.520 -16.374 9.399 649 H LEU 81 H LEU 81 -18.382 -13.269 9.625 650 HA LEU 81 HA LEU 81 -16.069 -11.576 9.817 651 HG LEU 81 HG LEU 81 -17.250 -9.366 9.730 652 HB2 LEU 81 2HB LEU 81 -18.768 -11.606 11.099 653 HB3 LEU 81 1HB LEU 81 -17.492 -10.658 11.833 654 HD11 LEU 81 1HD1 LEU 81 -18.033 -11.075 8.154 655 HD12 LEU 81 2HD1 LEU 81 -18.932 -9.566 7.979 656 HD13 LEU 81 3HD1 LEU 81 -19.662 -10.936 8.817 657 HD21 LEU 81 3HD2 LEU 81 -18.691 -8.545 11.508 658 HD22 LEU 81 1HD2 LEU 81 -20.048 -9.455 10.845 659 HD23 LEU 81 2HD2 LEU 81 -19.345 -8.127 9.924 660 H LYS 82 H LYS 82 -14.524 -13.091 10.433 661 HA LYS 82 HA LYS 82 -14.416 -14.558 12.785 662 HB2 LYS 82 2HB LYS 82 -12.719 -14.566 10.949 663 HB3 LYS 82 1HB LYS 82 -12.165 -12.991 11.494 664 HG2 LYS 82 2HG LYS 82 -11.561 -14.007 13.667 665 HG3 LYS 82 1HG LYS 82 -12.012 -15.584 13.013 666 HD2 LYS 82 2HD LYS 82 -10.340 -15.289 11.225 667 HD3 LYS 82 1HD LYS 82 -9.865 -13.752 11.947 668 HE2 LYS 82 2HE LYS 82 -8.297 -15.391 12.665 669 HE3 LYS 82 1HE LYS 82 -9.324 -15.006 14.046 670 HZ1 LYS 82 3HZ LYS 82 -9.021 -17.358 13.921 671 HZ2 LYS 82 1HZ LYS 82 -9.513 -17.403 12.299 672 HZ3 LYS 82 2HZ LYS 82 -10.631 -17.022 13.516 673 H VAL 83 H VAL 83 -13.540 -14.031 14.884 674 HA VAL 83 HA VAL 83 -14.486 -11.700 16.041 675 HB VAL 83 HB VAL 83 -13.891 -13.679 17.347 676 HG11 VAL 83 1HG1 VAL 83 -11.545 -14.135 17.934 677 HG12 VAL 83 2HG1 VAL 83 -11.038 -12.921 16.759 678 HG13 VAL 83 3HG1 VAL 83 -11.879 -14.375 16.219 679 HG21 VAL 83 3HG2 VAL 83 -12.863 -12.571 19.262 680 HG22 VAL 83 1HG2 VAL 83 -14.070 -11.535 18.500 681 HG23 VAL 83 2HG2 VAL 83 -12.354 -11.239 18.225 682 H THR 84 H THR 84 -11.417 -12.278 14.475 683 HA THR 84 HA THR 84 -10.263 -9.770 15.321 684 HB THR 84 HB THR 84 -9.229 -11.557 13.132 685 HG1 THR 84 HG1 THR 84 -9.007 -11.884 15.967 686 HG21 THR 84 3HG2 THR 84 -8.065 -9.431 13.454 687 HG22 THR 84 1HG2 THR 84 -7.040 -10.777 13.954 688 HG23 THR 84 2HG2 THR 84 -7.856 -9.791 15.168 689 H MET 85 H MET 85 -12.415 -10.758 12.914 690 HA MET 85 HA MET 85 -11.524 -9.085 10.766 691 HB2 MET 85 2HB MET 85 -12.852 -11.159 10.400 692 HB3 MET 85 1HB MET 85 -14.227 -10.384 11.175 693 HG2 MET 85 2HG MET 85 -14.493 -10.288 8.798 694 HG3 MET 85 1HG MET 85 -14.219 -8.663 9.422 695 HE1 MET 85 3HE MET 85 -11.111 -11.171 7.123 696 HE2 MET 85 1HE MET 85 -12.797 -11.643 7.351 697 HE3 MET 85 2HE MET 85 -11.696 -11.603 8.730 698 H ILE 86 H ILE 86 -13.564 -8.683 13.546 699 HA ILE 86 HA ILE 86 -15.011 -6.423 12.625 700 HB ILE 86 HB ILE 86 -14.307 -7.185 15.471 701 HG12 ILE 86 2HG1 ILE 86 -16.892 -7.698 15.381 702 HG13 ILE 86 1HG1 ILE 86 -16.596 -7.842 13.651 703 HG21 ILE 86 1HG2 ILE 86 -16.102 -5.658 16.134 704 HG22 ILE 86 2HG2 ILE 86 -16.306 -5.176 14.448 705 HG23 ILE 86 3HG2 ILE 86 -14.801 -4.811 15.292 706 HD11 ILE 86 3HD1 ILE 86 -16.527 -9.995 14.828 707 HD12 ILE 86 1HD1 ILE 86 -15.158 -9.413 15.773 708 HD13 ILE 86 2HD1 ILE 86 -15.008 -9.609 14.027 709 H GLN 87 H GLN 87 -11.892 -6.859 14.188 710 HA GLN 87 HA GLN 87 -11.285 -4.163 14.693 711 HB2 GLN 87 2HB GLN 87 -9.989 -6.111 15.568 712 HB3 GLN 87 1HB GLN 87 -9.350 -6.370 13.950 713 HG2 GLN 87 2HG GLN 87 -8.358 -4.109 14.023 714 HG3 GLN 87 1HG GLN 87 -8.921 -3.950 15.685 715 HE21 GLN 87 1HE2 GLN 87 -6.220 -3.852 14.685 716 HE22 GLN 87 2HE2 GLN 87 -5.353 -5.133 15.472 717 H LYS 88 H LYS 88 -10.900 -6.191 11.838 718 HA LYS 88 HA LYS 88 -9.541 -4.474 10.135 719 HB2 LYS 88 2HB LYS 88 -11.796 -6.404 9.549 720 HB3 LYS 88 1HB LYS 88 -10.888 -5.574 8.298 721 HG2 LYS 88 2HG LYS 88 -9.580 -7.354 10.334 722 HG3 LYS 88 1HG LYS 88 -10.214 -7.949 8.800 723 HD2 LYS 88 2HD LYS 88 -8.770 -6.164 7.699 724 HD3 LYS 88 1HD LYS 88 -7.977 -6.000 9.266 725 HE2 LYS 88 2HE LYS 88 -6.734 -7.518 7.826 726 HE3 LYS 88 1HE LYS 88 -7.396 -8.377 9.217 727 HZ1 LYS 88 3HZ LYS 88 -7.610 -9.477 6.956 728 HZ2 LYS 88 1HZ LYS 88 -8.796 -8.316 6.607 729 HZ3 LYS 88 2HZ LYS 88 -9.017 -9.398 7.894 730 H TYR 89 H TYR 89 -13.046 -4.751 10.670 731 HA TYR 89 HA TYR 89 -13.662 -2.587 8.909 732 HD1 TYR 89 HD2 TYR 89 -14.659 -3.686 7.292 733 HD2 TYR 89 HD1 TYR 89 -16.096 -6.131 10.462 734 HE1 TYR 89 HE2 TYR 89 -14.909 -5.560 5.724 735 HE2 TYR 89 HE1 TYR 89 -16.350 -8.012 8.902 736 HH TYR 89 HH TYR 89 -14.975 -8.074 5.849 737 HB2 TYR 89 2HB TYR 89 -15.402 -3.992 10.945 738 HB3 TYR 89 1HB TYR 89 -15.972 -2.893 9.698 739 H ARG 90 H ARG 90 -12.598 -2.679 12.119 740 HA ARG 90 HA ARG 90 -13.903 -0.241 12.954 741 HE ARG 90 HE ARG 90 -15.177 -2.923 16.884 742 HB2 ARG 90 2HB ARG 90 -11.715 -1.915 14.183 743 HB3 ARG 90 1HB ARG 90 -12.229 -0.384 14.875 744 HG2 ARG 90 2HG ARG 90 -14.494 -1.266 15.142 745 HG3 ARG 90 1HG ARG 90 -13.969 -2.806 14.457 746 HD2 ARG 90 2HD ARG 90 -12.338 -3.040 16.288 747 HD3 ARG 90 1HD ARG 90 -12.916 -1.526 16.980 748 HH11 ARG 90 1HH1 ARG 90 -11.970 -3.823 18.003 749 HH12 ARG 90 2HH1 ARG 90 -12.567 -4.987 19.145 750 HH21 ARG 90 1HH2 ARG 90 -15.954 -4.462 18.398 751 HH22 ARG 90 2HH2 ARG 90 -14.815 -5.367 19.359 752 H GLN 91 H GLN 91 -10.794 -1.201 11.640 753 HA GLN 91 HA GLN 91 -9.817 1.547 11.857 754 HB2 GLN 91 2HB GLN 91 -8.344 -0.338 12.517 755 HB3 GLN 91 1HB GLN 91 -8.385 -0.918 10.859 756 HG2 GLN 91 2HG GLN 91 -7.217 0.979 10.069 757 HG3 GLN 91 1HG GLN 91 -7.398 1.814 11.610 758 HE21 GLN 91 1HE2 GLN 91 -5.206 2.114 11.853 759 HE22 GLN 91 2HE2 GLN 91 -4.118 0.822 12.212 760 H LEU 92 H LEU 92 -10.714 -0.857 9.459 761 HA LEU 92 HA LEU 92 -10.119 0.829 7.205 762 HG LEU 92 HG LEU 92 -10.465 -0.369 5.005 763 HB2 LEU 92 2HB LEU 92 -10.165 -1.694 7.178 764 HB3 LEU 92 1HB LEU 92 -11.904 -1.606 7.350 765 HD11 LEU 92 1HD1 LEU 92 -11.577 -3.158 5.282 766 HD12 LEU 92 2HD1 LEU 92 -9.878 -2.718 5.082 767 HD13 LEU 92 3HD1 LEU 92 -11.026 -2.419 3.776 768 HD21 LEU 92 3HD2 LEU 92 -13.311 -1.306 5.404 769 HD22 LEU 92 1HD2 LEU 92 -12.647 -0.616 3.922 770 HD23 LEU 92 2HD2 LEU 92 -12.769 0.370 5.379 771 H HIS 93 H HIS 93 -11.359 2.453 6.505 772 HA HIS 93 HA HIS 93 -14.040 2.693 7.675 773 HD1 HIS 93 HD1 HIS 93 -10.454 4.785 8.454 774 HD2 HIS 93 HD2 HIS 93 -14.388 4.749 9.806 775 HE1 HIS 93 HE1 HIS 93 -10.322 5.131 10.942 776 HE2 HIS 93 HE2 HIS 93 -12.723 5.271 11.713 777 HB2 HIS 93 2HB HIS 93 -12.141 4.765 6.580 778 HB3 HIS 93 1HB HIS 93 -13.815 5.123 7.004 779 H HIS 94 H HIS 94 -15.664 2.195 6.487 780 HA HIS 94 HA HIS 94 -17.190 2.244 4.824 781 HD1 HIS 94 HD1 HIS 94 -16.555 2.612 1.122 782 HD2 HIS 94 HD2 HIS 94 -18.838 5.122 3.521 783 HE1 HIS 94 HE1 HIS 94 -18.640 3.084 -0.193 784 HE2 HIS 94 HE2 HIS 94 -19.971 4.677 1.237 785 HB2 HIS 94 2HB HIS 94 -16.305 4.562 4.366 786 HB3 HIS 94 1HB HIS 94 -15.258 3.841 3.147 787 H HIS 95 H HIS 95 -16.928 0.023 4.626 788 HA HIS 95 HA HIS 95 -15.412 -0.860 2.270 789 HD1 HIS 95 HD1 HIS 95 -14.639 -3.143 1.401 790 HD2 HIS 95 HD2 HIS 95 -17.371 -4.925 3.981 791 HE1 HIS 95 HE1 HIS 95 -15.090 -5.426 0.442 792 HE2 HIS 95 HE2 HIS 95 -16.872 -6.421 1.923 793 HB2 HIS 95 2HB HIS 95 -14.936 -2.227 4.187 794 HB3 HIS 95 1HB HIS 95 -16.645 -2.397 4.570 Start of MODEL 2 1 HA MET 1 HA MET 1 13.930 23.848 11.044 2 H1 MET 1 1H MET 1 16.014 24.583 11.906 3 H2 MET 1 2H MET 1 16.695 23.043 11.726 4 H3 MET 1 3H MET 1 15.463 23.293 12.865 5 HB2 MET 1 2HB MET 1 16.261 22.922 9.352 6 HB3 MET 1 1HB MET 1 14.633 23.196 8.750 7 HG2 MET 1 2HG MET 1 14.798 25.547 9.290 8 HG3 MET 1 1HG MET 1 16.393 25.295 9.996 9 HE1 MET 1 3HE MET 1 17.180 27.313 6.730 10 HE2 MET 1 1HE MET 1 17.343 27.258 8.485 11 HE3 MET 1 2HE MET 1 15.756 27.495 7.753 12 H TYR 2 H TYR 2 16.160 21.262 11.757 13 HA TYR 2 HA TYR 2 15.949 19.020 11.954 14 HD1 TYR 2 HD1 TYR 2 12.981 21.391 13.291 15 HD2 TYR 2 HD2 TYR 2 14.563 17.595 14.366 16 HE1 TYR 2 HE1 TYR 2 12.871 22.024 15.660 17 HE2 TYR 2 HE2 TYR 2 14.467 18.224 16.744 18 HH TYR 2 HH TYR 2 14.354 20.146 18.151 19 HB2 TYR 2 2HB TYR 2 12.971 19.517 11.717 20 HB3 TYR 2 1HB TYR 2 13.706 17.982 12.145 21 H LEU 3 H LEU 3 13.105 19.326 9.907 22 HA LEU 3 HA LEU 3 12.570 18.349 7.941 23 HG LEU 3 HG LEU 3 13.799 20.884 5.625 24 HB2 LEU 3 2HB LEU 3 15.106 19.793 7.423 25 HB3 LEU 3 1HB LEU 3 14.565 18.680 6.183 26 HD11 LEU 3 1HD1 LEU 3 11.524 19.224 6.693 27 HD12 LEU 3 2HD1 LEU 3 12.272 19.069 5.103 28 HD13 LEU 3 3HD1 LEU 3 11.381 20.534 5.520 29 HD21 LEU 3 3HD2 LEU 3 12.487 20.935 8.335 30 HD22 LEU 3 1HD2 LEU 3 12.316 22.164 7.084 31 HD23 LEU 3 2HD2 LEU 3 13.885 21.888 7.841 32 H LYS 4 H LYS 4 12.918 16.305 9.330 33 HA LYS 4 HA LYS 4 14.311 14.471 7.516 34 HB2 LYS 4 2HB LYS 4 14.491 14.486 10.522 35 HB3 LYS 4 1HB LYS 4 14.650 12.982 9.629 36 HG2 LYS 4 2HG LYS 4 16.835 13.528 9.736 37 HG3 LYS 4 1HG LYS 4 16.423 14.442 8.285 38 HD2 LYS 4 2HD LYS 4 15.944 16.393 9.851 39 HD3 LYS 4 1HD LYS 4 16.769 15.446 11.094 40 HE2 LYS 4 2HE LYS 4 18.359 16.943 10.103 41 HE3 LYS 4 1HE LYS 4 18.743 15.301 9.580 42 HZ1 LYS 4 3HZ LYS 4 18.836 16.951 7.767 43 HZ2 LYS 4 1HZ LYS 4 17.184 17.257 7.981 44 HZ3 LYS 4 2HZ LYS 4 17.698 15.727 7.473 45 H ARG 5 H ARG 5 11.650 15.322 7.489 46 HA ARG 5 HA ARG 5 10.029 13.526 9.027 47 HE ARG 5 HE ARG 5 5.159 14.237 8.119 48 HB2 ARG 5 2HB ARG 5 9.260 15.806 8.575 49 HB3 ARG 5 1HB ARG 5 9.248 15.468 6.847 50 HG2 ARG 5 2HG ARG 5 7.532 13.745 7.220 51 HG3 ARG 5 1HG ARG 5 7.523 14.148 8.937 52 HD2 ARG 5 2HD ARG 5 6.779 16.400 8.430 53 HD3 ARG 5 1HD ARG 5 6.866 16.062 6.700 54 HH11 ARG 5 1HH1 ARG 5 5.266 17.429 6.663 55 HH12 ARG 5 2HH1 ARG 5 3.575 17.422 6.256 56 HH21 ARG 5 1HH2 ARG 5 2.958 14.250 7.618 57 HH22 ARG 5 2HH2 ARG 5 2.261 15.629 6.809 58 H VAL 6 H VAL 6 10.321 11.462 8.422 59 HA VAL 6 HA VAL 6 9.713 10.671 5.676 60 HB VAL 6 HB VAL 6 10.184 8.933 8.118 61 HG11 VAL 6 1HG1 VAL 6 10.167 8.246 5.182 62 HG12 VAL 6 2HG1 VAL 6 8.949 7.780 6.370 63 HG13 VAL 6 3HG1 VAL 6 10.589 7.144 6.492 64 HG21 VAL 6 3HG2 VAL 6 12.159 10.263 7.633 65 HG22 VAL 6 1HG2 VAL 6 12.108 9.751 5.945 66 HG23 VAL 6 2HG2 VAL 6 12.432 8.571 7.214 67 H ASP 7 H ASP 7 8.349 11.105 8.767 68 HA ASP 7 HA ASP 7 6.255 11.162 9.587 69 HB2 ASP 7 2HB ASP 7 5.821 12.226 7.275 70 HB3 ASP 7 1HB ASP 7 5.113 10.671 6.844 71 H GLY 8 H GLY 8 6.712 9.219 10.676 72 HA2 GLY 8 2HA GLY 8 5.243 7.371 11.335 73 HA3 GLY 8 1HA GLY 8 5.123 6.962 9.630 74 HA PRO 9 HA PRO 9 8.553 4.468 11.643 75 HB2 PRO 9 2HB PRO 9 7.014 2.128 10.817 76 HB3 PRO 9 1HB PRO 9 7.609 2.556 12.422 77 HG2 PRO 9 2HG PRO 9 4.980 2.587 11.778 78 HG3 PRO 9 1HG PRO 9 5.687 3.685 12.977 79 HD2 PRO 9 2HD PRO 9 4.959 4.207 10.118 80 HD3 PRO 9 1HD PRO 9 4.737 5.244 11.545 81 H ARG 10 H ARG 10 9.854 2.747 10.538 82 HA ARG 10 HA ARG 10 9.798 3.207 7.645 83 HE ARG 10 HE ARG 10 13.602 6.282 9.176 84 HB2 ARG 10 2HB ARG 10 11.978 2.181 9.460 85 HB3 ARG 10 1HB ARG 10 12.113 2.240 7.706 86 HG2 ARG 10 2HG ARG 10 11.731 4.681 7.799 87 HG3 ARG 10 1HG ARG 10 11.739 4.577 9.561 88 HD2 ARG 10 2HD ARG 10 14.019 3.800 9.551 89 HD3 ARG 10 1HD ARG 10 14.021 3.716 7.787 90 HH11 ARG 10 1HH1 ARG 10 15.463 4.256 6.993 91 HH12 ARG 10 2HH1 ARG 10 16.362 5.588 6.332 92 HH21 ARG 10 1HH2 ARG 10 14.812 8.024 8.319 93 HH22 ARG 10 2HH2 ARG 10 15.992 7.732 7.077 94 H GLN 11 H GLN 11 9.168 0.790 9.988 95 HA GLN 11 HA GLN 11 8.508 -1.072 7.863 96 HB2 GLN 11 2HB GLN 11 9.713 -2.936 8.797 97 HB3 GLN 11 1HB GLN 11 10.847 -1.628 8.489 98 HG2 GLN 11 2HG GLN 11 10.834 -1.044 10.853 99 HG3 GLN 11 1HG GLN 11 9.665 -2.327 11.170 100 HE21 GLN 11 1HE2 GLN 11 10.994 -3.435 12.565 101 HE22 GLN 11 2HE2 GLN 11 12.407 -4.291 12.044 102 H VAL 12 H VAL 12 6.867 -2.476 8.370 103 HA VAL 12 HA VAL 12 5.872 -2.449 11.139 104 HB VAL 12 HB VAL 12 3.537 -2.530 10.240 105 HG11 VAL 12 1HG1 VAL 12 4.461 -0.470 11.165 106 HG12 VAL 12 2HG1 VAL 12 3.355 -0.131 9.835 107 HG13 VAL 12 3HG1 VAL 12 5.096 -0.034 9.579 108 HG21 VAL 12 3HG2 VAL 12 3.134 -1.703 7.962 109 HG22 VAL 12 1HG2 VAL 12 4.011 -3.233 7.966 110 HG23 VAL 12 2HG2 VAL 12 4.872 -1.724 7.657 111 H THR 13 H THR 13 4.495 -4.298 11.658 112 HA THR 13 HA THR 13 5.494 -6.718 10.393 113 HB THR 13 HB THR 13 3.690 -6.544 12.811 114 HG1 THR 13 HG1 THR 13 6.533 -6.331 12.624 115 HG21 THR 13 3HG2 THR 13 3.942 -8.771 11.835 116 HG22 THR 13 1HG2 THR 13 4.768 -8.683 13.391 117 HG23 THR 13 2HG2 THR 13 5.697 -8.610 11.894 118 H LEU 14 H LEU 14 4.196 -8.265 9.433 119 HA LEU 14 HA LEU 14 1.493 -7.386 8.695 120 HG LEU 14 HG LEU 14 3.018 -8.200 5.390 121 HB2 LEU 14 2HB LEU 14 3.343 -9.452 7.504 122 HB3 LEU 14 1HB LEU 14 1.669 -9.289 7.023 123 HD11 LEU 14 1HD1 LEU 14 1.746 -6.144 7.182 124 HD12 LEU 14 2HD1 LEU 14 0.941 -7.073 5.915 125 HD13 LEU 14 3HD1 LEU 14 2.193 -5.905 5.493 126 HD21 LEU 14 3HD2 LEU 14 5.025 -7.880 6.707 127 HD22 LEU 14 1HD2 LEU 14 4.219 -6.630 7.654 128 HD23 LEU 14 2HD2 LEU 14 4.533 -6.372 5.941 129 HA PRO 15 HA PRO 15 -0.380 -10.766 10.986 130 HB2 PRO 15 2HB PRO 15 -2.246 -11.156 8.751 131 HB3 PRO 15 1HB PRO 15 -2.583 -10.645 10.407 132 HG2 PRO 15 2HG PRO 15 -2.791 -8.956 8.320 133 HG3 PRO 15 1HG PRO 15 -2.269 -8.415 9.926 134 HD2 PRO 15 2HD PRO 15 -0.623 -8.998 7.490 135 HD3 PRO 15 1HD PRO 15 -0.467 -7.675 8.668 136 H ASP 16 H ASP 16 0.752 -10.906 7.767 137 HA ASP 16 HA ASP 16 0.589 -13.744 7.398 138 HB2 ASP 16 2HB ASP 16 2.375 -11.799 5.920 139 HB3 ASP 16 1HB ASP 16 1.781 -13.356 5.353 140 H GLY 17 H GLY 17 2.536 -11.729 9.243 141 HA2 GLY 17 2HA GLY 17 4.239 -12.442 10.693 142 HA3 GLY 17 1HA GLY 17 4.466 -13.868 9.694 143 H THR 18 H THR 18 4.282 -11.341 7.637 144 HA THR 18 HA THR 18 7.129 -11.384 7.151 145 HB THR 18 HB THR 18 5.454 -9.587 5.531 146 HG1 THR 18 HG1 THR 18 4.976 -12.374 5.244 147 HG21 THR 18 3HG2 THR 18 7.200 -11.956 4.851 148 HG22 THR 18 1HG2 THR 18 7.714 -10.269 4.872 149 HG23 THR 18 2HG2 THR 18 6.518 -10.810 3.696 150 H VAL 19 H VAL 19 8.151 -9.230 6.488 151 HA VAL 19 HA VAL 19 7.301 -7.052 8.285 152 HB VAL 19 HB VAL 19 10.090 -7.689 7.290 153 HG11 VAL 19 1HG1 VAL 19 10.830 -5.811 8.674 154 HG12 VAL 19 2HG1 VAL 19 9.152 -5.437 9.070 155 HG13 VAL 19 3HG1 VAL 19 9.725 -5.271 7.410 156 HG21 VAL 19 3HG2 VAL 19 9.338 -9.164 9.078 157 HG22 VAL 19 1HG2 VAL 19 8.907 -7.766 10.063 158 HG23 VAL 19 2HG2 VAL 19 10.596 -8.070 9.654 159 H LEU 20 H LEU 20 6.616 -5.278 7.308 160 HA LEU 20 HA LEU 20 7.283 -4.897 4.463 161 HG LEU 20 HG LEU 20 5.314 -2.270 4.561 162 HB2 LEU 20 2HB LEU 20 4.952 -5.259 4.671 163 HB3 LEU 20 1HB LEU 20 4.828 -4.202 6.060 164 HD11 LEU 20 1HD1 LEU 20 5.113 -2.578 2.156 165 HD12 LEU 20 2HD1 LEU 20 4.999 -4.323 2.379 166 HD13 LEU 20 3HD1 LEU 20 6.490 -3.475 2.792 167 HD21 LEU 20 3HD2 LEU 20 3.036 -2.866 5.183 168 HD22 LEU 20 1HD2 LEU 20 2.945 -3.965 3.808 169 HD23 LEU 20 2HD2 LEU 20 3.106 -2.230 3.540 170 H SER 21 H SER 21 8.951 -3.513 4.412 171 HA SER 21 HA SER 21 8.863 -1.149 6.131 172 HG SER 21 HG SER 21 10.906 -2.938 3.675 173 HB2 SER 21 2HB SER 21 11.148 -0.762 5.486 174 HB3 SER 21 1HB SER 21 10.997 -2.471 5.872 175 H ARG 22 H ARG 22 9.506 0.955 4.974 176 HA ARG 22 HA ARG 22 7.598 1.444 2.924 177 HE ARG 22 HE ARG 22 7.170 5.611 3.837 178 HB2 ARG 22 2HB ARG 22 9.897 3.192 3.818 179 HB3 ARG 22 1HB ARG 22 8.492 3.720 2.899 180 HG2 ARG 22 2HG ARG 22 7.053 3.100 4.795 181 HG3 ARG 22 1HG ARG 22 8.487 2.639 5.711 182 HD2 ARG 22 2HD ARG 22 8.145 4.765 6.490 183 HD3 ARG 22 1HD ARG 22 9.253 5.076 5.157 184 HH11 ARG 22 1HH1 ARG 22 7.280 5.915 7.309 185 HH12 ARG 22 2HH1 ARG 22 6.104 7.190 7.375 186 HH21 ARG 22 1HH2 ARG 22 5.575 7.302 3.908 187 HH22 ARG 22 2HH2 ARG 22 5.155 7.982 5.449 188 H ALA 23 H ALA 23 10.759 0.231 2.902 189 HA ALA 23 HA ALA 23 11.332 0.949 0.155 190 HB1 ALA 23 3HB ALA 23 13.362 -0.370 0.449 191 HB2 ALA 23 1HB ALA 23 12.778 -0.937 2.014 192 HB3 ALA 23 2HB ALA 23 13.157 0.768 1.780 193 H ASP 24 H ASP 24 9.676 -1.509 1.855 194 HA ASP 24 HA ASP 24 9.923 -3.534 -0.190 195 HB2 ASP 24 2HB ASP 24 8.273 -3.316 2.318 196 HB3 ASP 24 1HB ASP 24 8.009 -4.612 1.159 197 H LEU 25 H LEU 25 8.107 -0.751 0.244 198 HA LEU 25 HA LEU 25 5.670 -1.396 -0.970 199 HG LEU 25 HG LEU 25 6.200 0.453 1.288 200 HB2 LEU 25 2HB LEU 25 7.249 1.162 -0.843 201 HB3 LEU 25 1HB LEU 25 5.683 1.071 -1.625 202 HD11 LEU 25 1HD1 LEU 25 5.003 2.541 1.714 203 HD12 LEU 25 2HD1 LEU 25 4.920 2.849 -0.019 204 HD13 LEU 25 3HD1 LEU 25 6.484 2.823 0.796 205 HD21 LEU 25 3HD2 LEU 25 3.626 0.669 -0.268 206 HD22 LEU 25 1HD2 LEU 25 3.764 0.438 1.475 207 HD23 LEU 25 2HD2 LEU 25 4.328 -0.816 0.372 208 HA PRO 26 HA PRO 26 6.688 -2.362 -5.145 209 HB2 PRO 26 2HB PRO 26 4.386 -1.392 -6.329 210 HB3 PRO 26 1HB PRO 26 4.522 -2.967 -5.542 211 HG2 PRO 26 2HG PRO 26 3.447 -0.394 -4.459 212 HG3 PRO 26 1HG PRO 26 2.810 -2.042 -4.281 213 HD2 PRO 26 2HD PRO 26 4.172 -0.874 -2.305 214 HD3 PRO 26 1HD PRO 26 4.387 -2.603 -2.664 215 HA PRO 27 HA PRO 27 8.399 1.194 -7.151 216 HB2 PRO 27 2HB PRO 27 7.928 0.529 -9.784 217 HB3 PRO 27 1HB PRO 27 9.263 -0.103 -8.813 218 HG2 PRO 27 2HG PRO 27 6.598 -1.339 -9.410 219 HG3 PRO 27 1HG PRO 27 8.207 -2.092 -9.411 220 HD2 PRO 27 2HD PRO 27 6.540 -2.428 -7.358 221 HD3 PRO 27 1HD PRO 27 8.282 -2.205 -7.084 222 H LEU 28 H LEU 28 7.771 3.159 -7.804 223 HA LEU 28 HA LEU 28 5.070 3.899 -7.635 224 HG LEU 28 HG LEU 28 7.904 4.851 -6.546 225 HB2 LEU 28 2HB LEU 28 7.345 5.450 -8.869 226 HB3 LEU 28 1HB LEU 28 5.817 6.115 -8.325 227 HD11 LEU 28 1HD1 LEU 28 8.637 6.994 -7.418 228 HD12 LEU 28 2HD1 LEU 28 8.227 7.130 -5.706 229 HD13 LEU 28 3HD1 LEU 28 7.110 7.733 -6.929 230 HD21 LEU 28 3HD2 LEU 28 5.668 4.505 -5.678 231 HD22 LEU 28 1HD2 LEU 28 5.297 6.216 -5.891 232 HD23 LEU 28 2HD2 LEU 28 6.514 5.719 -4.716 233 H ASP 29 H ASP 29 7.021 2.968 -10.354 234 HA ASP 29 HA ASP 29 5.245 4.150 -12.307 235 HB2 ASP 29 2HB ASP 29 7.719 4.048 -12.636 236 HB3 ASP 29 1HB ASP 29 7.600 2.297 -12.743 237 H THR 30 H THR 30 4.620 1.745 -10.394 238 HA THR 30 HA THR 30 3.838 -0.293 -12.274 239 HB THR 30 HB THR 30 3.007 0.054 -9.387 240 HG1 THR 30 HG1 THR 30 5.138 -0.336 -9.310 241 HG21 THR 30 3HG2 THR 30 1.474 -1.383 -10.630 242 HG22 THR 30 1HG2 THR 30 2.438 -2.333 -9.501 243 HG23 THR 30 2HG2 THR 30 2.834 -2.339 -11.219 244 H ARG 31 H ARG 31 2.266 0.017 -13.630 245 HA ARG 31 HA ARG 31 -0.130 1.475 -12.735 246 HE ARG 31 HE ARG 31 -2.255 2.775 -12.886 247 HB2 ARG 31 2HB ARG 31 1.218 2.272 -14.786 248 HB3 ARG 31 1HB ARG 31 0.588 0.846 -15.596 249 HG2 ARG 31 2HG ARG 31 -0.838 2.581 -16.222 250 HG3 ARG 31 1HG ARG 31 -1.716 1.697 -14.975 251 HD2 ARG 31 2HD ARG 31 -0.046 4.100 -14.313 252 HD3 ARG 31 1HD ARG 31 -1.711 4.264 -14.864 253 HH11 ARG 31 1HH1 ARG 31 0.563 4.862 -12.905 254 HH12 ARG 31 2HH1 ARG 31 0.507 5.163 -11.192 255 HH21 ARG 31 1HH2 ARG 31 -2.362 3.196 -10.642 256 HH22 ARG 31 2HH2 ARG 31 -1.159 4.226 -9.907 257 H ARG 32 H ARG 32 1.052 -1.349 -14.539 258 HA ARG 32 HA ARG 32 -1.534 -2.630 -14.409 259 HE ARG 32 HE ARG 32 3.855 -3.384 -16.755 260 HB2 ARG 32 2HB ARG 32 -0.229 -4.650 -15.277 261 HB3 ARG 32 1HB ARG 32 -0.335 -3.252 -16.332 262 HG2 ARG 32 2HG ARG 32 1.922 -2.592 -15.725 263 HG3 ARG 32 1HG ARG 32 2.030 -3.952 -14.606 264 HD2 ARG 32 2HD ARG 32 1.988 -5.529 -16.345 265 HD3 ARG 32 1HD ARG 32 1.427 -4.341 -17.518 266 HH11 ARG 32 1HH1 ARG 32 2.774 -6.519 -17.908 267 HH12 ARG 32 2HH1 ARG 32 4.241 -6.832 -18.797 268 HH21 ARG 32 1HH2 ARG 32 5.781 -3.808 -17.927 269 HH22 ARG 32 2HH2 ARG 32 5.934 -5.296 -18.813 270 H TRP 33 H TRP 33 -1.713 -2.331 -12.135 271 HA TRP 33 HA TRP 33 0.013 -3.512 -10.243 272 HD1 TRP 33 HD1 TRP 33 -2.076 -0.197 -11.023 273 HE1 TRP 33 HE1 TRP 33 -0.807 1.727 -9.877 274 HE3 TRP 33 HE3 TRP 33 -0.201 -2.732 -7.008 275 HZ2 TRP 33 HZ2 TRP 33 0.769 2.119 -7.576 276 HZ3 TRP 33 HZ3 TRP 33 1.174 -1.512 -5.379 277 HH2 TRP 33 HH2 TRP 33 1.651 0.865 -5.659 278 HB2 TRP 33 2HB TRP 33 -2.854 -2.605 -10.088 279 HB3 TRP 33 1HB TRP 33 -1.988 -3.245 -8.698 280 H VAL 34 H VAL 34 0.122 -5.469 -9.369 281 HA VAL 34 HA VAL 34 -1.929 -7.446 -10.058 282 HB VAL 34 HB VAL 34 -0.323 -9.164 -9.331 283 HG11 VAL 34 1HG1 VAL 34 1.286 -8.920 -11.160 284 HG12 VAL 34 2HG1 VAL 34 0.819 -7.229 -11.340 285 HG13 VAL 34 3HG1 VAL 34 -0.350 -8.506 -11.668 286 HG21 VAL 34 3HG2 VAL 34 1.573 -6.855 -8.908 287 HG22 VAL 34 1HG2 VAL 34 2.006 -8.563 -8.848 288 HG23 VAL 34 2HG2 VAL 34 0.896 -7.893 -7.653 289 H ALA 35 H ALA 35 -2.277 -9.084 -8.211 290 HA ALA 35 HA ALA 35 -3.615 -7.730 -6.172 291 HB1 ALA 35 3HB ALA 35 -2.703 -10.605 -6.194 292 HB2 ALA 35 1HB ALA 35 -4.199 -9.986 -6.891 293 HB3 ALA 35 2HB ALA 35 -3.946 -9.921 -5.147 294 H SER 36 H SER 36 -0.481 -9.410 -6.052 295 HA SER 36 HA SER 36 -0.054 -9.131 -3.296 296 HG SER 36 HG SER 36 0.840 -11.359 -3.943 297 HB2 SER 36 2HB SER 36 2.021 -9.285 -5.496 298 HB3 SER 36 1HB SER 36 2.296 -9.619 -3.786 299 H ARG 37 H ARG 37 0.744 -6.937 -5.961 300 HA ARG 37 HA ARG 37 2.320 -5.191 -4.344 301 HE ARG 37 HE ARG 37 4.415 -6.582 -8.795 302 HB2 ARG 37 2HB ARG 37 1.018 -4.707 -7.030 303 HB3 ARG 37 1HB ARG 37 2.162 -3.618 -6.260 304 HG2 ARG 37 2HG ARG 37 3.840 -5.447 -6.298 305 HG3 ARG 37 1HG ARG 37 2.689 -6.423 -7.212 306 HD2 ARG 37 2HD ARG 37 2.635 -4.573 -8.915 307 HD3 ARG 37 1HD ARG 37 3.977 -3.828 -8.044 308 HH11 ARG 37 1HH1 ARG 37 4.821 -3.220 -9.740 309 HH12 ARG 37 2HH1 ARG 37 6.063 -3.576 -10.905 310 HH21 ARG 37 1HH2 ARG 37 6.007 -7.041 -10.352 311 HH22 ARG 37 2HH2 ARG 37 6.712 -5.740 -11.274 312 H LYS 38 H LYS 38 -1.049 -5.218 -5.400 313 HA LYS 38 HA LYS 38 -1.795 -2.727 -4.317 314 HB2 LYS 38 2HB LYS 38 -3.430 -5.230 -4.773 315 HB3 LYS 38 1HB LYS 38 -4.116 -3.695 -4.266 316 HG2 LYS 38 2HG LYS 38 -3.069 -2.711 -6.359 317 HG3 LYS 38 1HG LYS 38 -2.812 -4.380 -6.875 318 HD2 LYS 38 2HD LYS 38 -5.205 -4.818 -6.692 319 HD3 LYS 38 1HD LYS 38 -5.474 -3.169 -6.126 320 HE2 LYS 38 2HE LYS 38 -4.448 -2.392 -8.294 321 HE3 LYS 38 1HE LYS 38 -4.534 -4.065 -8.837 322 HZ1 LYS 38 3HZ LYS 38 -6.440 -2.931 -9.633 323 HZ2 LYS 38 1HZ LYS 38 -6.805 -2.304 -8.101 324 HZ3 LYS 38 2HZ LYS 38 -6.966 -3.964 -8.392 325 H ALA 39 H ALA 39 -1.844 -5.988 -2.958 326 HA ALA 39 HA ALA 39 -2.964 -5.407 -0.480 327 HB1 ALA 39 3HB ALA 39 -2.634 -7.683 -1.322 328 HB2 ALA 39 1HB ALA 39 -1.957 -7.480 0.293 329 HB3 ALA 39 2HB ALA 39 -0.892 -7.503 -1.112 330 H ALA 40 H ALA 40 0.430 -5.336 -1.503 331 HA ALA 40 HA ALA 40 1.604 -4.851 0.980 332 HB1 ALA 40 3HB ALA 40 2.532 -3.862 -1.713 333 HB2 ALA 40 1HB ALA 40 2.873 -5.452 -1.029 334 HB3 ALA 40 2HB ALA 40 3.519 -4.003 -0.259 335 H VAL 41 H VAL 41 0.266 -2.581 -1.385 336 HA VAL 41 HA VAL 41 1.128 -0.236 -0.029 337 HB VAL 41 HB VAL 41 -1.123 -0.558 -2.013 338 HG11 VAL 41 1HG1 VAL 41 -1.347 1.505 -0.752 339 HG12 VAL 41 2HG1 VAL 41 -0.837 1.849 -2.406 340 HG13 VAL 41 3HG1 VAL 41 0.332 1.914 -1.091 341 HG21 VAL 41 3HG2 VAL 41 1.746 0.260 -2.425 342 HG22 VAL 41 1HG2 VAL 41 0.493 0.216 -3.665 343 HG23 VAL 41 2HG2 VAL 41 1.030 -1.279 -2.901 344 H VAL 42 H VAL 42 -2.035 -1.873 -0.187 345 HA VAL 42 HA VAL 42 -3.328 -0.002 1.497 346 HB VAL 42 HB VAL 42 -4.543 -1.496 -0.054 347 HG11 VAL 42 1HG1 VAL 42 -3.316 -3.562 0.305 348 HG12 VAL 42 2HG1 VAL 42 -5.041 -3.801 0.577 349 HG13 VAL 42 3HG1 VAL 42 -3.943 -3.662 1.950 350 HG21 VAL 42 3HG2 VAL 42 -5.400 -1.711 2.824 351 HG22 VAL 42 1HG2 VAL 42 -6.442 -1.970 1.424 352 HG23 VAL 42 2HG2 VAL 42 -5.747 -0.376 1.725 353 H LYS 43 H LYS 43 -1.638 -3.052 2.169 354 HA LYS 43 HA LYS 43 -2.315 -3.217 4.907 355 HB2 LYS 43 2HB LYS 43 0.084 -4.234 3.391 356 HB3 LYS 43 1HB LYS 43 -0.157 -4.543 5.101 357 HG2 LYS 43 2HG LYS 43 -2.234 -5.726 4.596 358 HG3 LYS 43 1HG LYS 43 -1.990 -5.414 2.875 359 HD2 LYS 43 2HD LYS 43 0.142 -6.645 2.980 360 HD3 LYS 43 1HD LYS 43 -0.160 -6.994 4.679 361 HE2 LYS 43 2HE LYS 43 -2.175 -8.235 4.065 362 HE3 LYS 43 1HE LYS 43 -1.885 -7.869 2.364 363 HZ1 LYS 43 3HZ LYS 43 -1.056 -10.042 2.755 364 HZ2 LYS 43 1HZ LYS 43 -0.222 -9.568 4.156 365 HZ3 LYS 43 2HZ LYS 43 0.299 -9.036 2.631 366 H ALA 44 H ALA 44 0.270 -1.546 3.187 367 HA ALA 44 HA ALA 44 1.819 -0.754 5.371 368 HB1 ALA 44 3HB ALA 44 2.544 -0.532 3.040 369 HB2 ALA 44 1HB ALA 44 2.698 0.990 3.916 370 HB3 ALA 44 2HB ALA 44 1.359 0.748 2.796 371 H VAL 45 H VAL 45 -0.921 0.865 3.812 372 HA VAL 45 HA VAL 45 -0.908 3.150 5.488 373 HB VAL 45 HB VAL 45 -3.202 1.966 3.916 374 HG11 VAL 45 1HG1 VAL 45 -4.147 4.231 3.997 375 HG12 VAL 45 2HG1 VAL 45 -2.825 4.736 5.052 376 HG13 VAL 45 3HG1 VAL 45 -3.983 3.526 5.604 377 HG21 VAL 45 3HG2 VAL 45 -1.298 2.459 2.486 378 HG22 VAL 45 1HG2 VAL 45 -1.189 4.086 3.156 379 HG23 VAL 45 2HG2 VAL 45 -2.594 3.619 2.198 380 H ILE 46 H ILE 46 -2.810 0.155 5.548 381 HA ILE 46 HA ILE 46 -4.461 0.888 7.712 382 HB ILE 46 HB ILE 46 -3.760 -1.813 6.570 383 HG12 ILE 46 2HG1 ILE 46 -6.201 -0.043 6.308 384 HG13 ILE 46 1HG1 ILE 46 -4.971 -0.291 5.075 385 HG21 ILE 46 1HG2 ILE 46 -5.718 -2.679 7.778 386 HG22 ILE 46 2HG2 ILE 46 -5.866 -1.134 8.616 387 HG23 ILE 46 3HG2 ILE 46 -4.437 -2.142 8.866 388 HD11 ILE 46 3HD1 ILE 46 -6.824 -2.398 6.159 389 HD12 ILE 46 1HD1 ILE 46 -5.603 -2.638 4.910 390 HD13 ILE 46 2HD1 ILE 46 -6.980 -1.573 4.606 391 H HIS 47 H HIS 47 -1.286 -0.622 7.615 392 HA HIS 47 HA HIS 47 -1.382 -1.283 10.435 393 HD1 HIS 47 HD1 HIS 47 -1.464 -3.495 10.654 394 HD2 HIS 47 HD2 HIS 47 0.796 -3.882 7.192 395 HE1 HIS 47 HE1 HIS 47 -1.958 -5.795 9.779 396 HE2 HIS 47 HE2 HIS 47 -0.454 -6.064 7.783 397 HB2 HIS 47 2HB HIS 47 0.835 -1.469 8.399 398 HB3 HIS 47 1HB HIS 47 1.052 -1.870 10.100 399 H GLY 48 H GLY 48 -0.568 1.448 8.559 400 HA2 GLY 48 2HA GLY 48 -0.268 3.569 9.568 401 HA3 GLY 48 1HA GLY 48 0.352 2.773 11.003 402 H LEU 49 H LEU 49 1.598 1.622 8.041 403 HA LEU 49 HA LEU 49 4.245 2.519 8.659 404 HG LEU 49 HG LEU 49 5.284 2.323 5.708 405 HB2 LEU 49 2HB LEU 49 3.865 0.384 7.537 406 HB3 LEU 49 1HB LEU 49 3.102 1.202 6.188 407 HD11 LEU 49 1HD1 LEU 49 7.306 1.442 6.708 408 HD12 LEU 49 2HD1 LEU 49 6.355 0.366 7.736 409 HD13 LEU 49 3HD1 LEU 49 6.249 2.113 7.951 410 HD21 LEU 49 3HD2 LEU 49 4.572 0.359 4.468 411 HD22 LEU 49 1HD2 LEU 49 5.282 -0.690 5.693 412 HD23 LEU 49 2HD2 LEU 49 6.319 0.343 4.710 413 H ILE 50 H ILE 50 1.982 3.167 6.010 414 HA ILE 50 HA ILE 50 3.183 5.843 5.732 415 HB ILE 50 HB ILE 50 2.701 5.829 3.346 416 HG12 ILE 50 2HG1 ILE 50 1.936 2.918 3.623 417 HG13 ILE 50 1HG1 ILE 50 0.755 4.221 3.551 418 HG21 ILE 50 1HG2 ILE 50 4.369 4.199 2.599 419 HG22 ILE 50 2HG2 ILE 50 4.292 3.402 4.170 420 HG23 ILE 50 3HG2 ILE 50 4.898 5.054 4.047 421 HD11 ILE 50 3HD1 ILE 50 1.042 3.140 1.394 422 HD12 ILE 50 1HD1 ILE 50 2.758 3.548 1.410 423 HD13 ILE 50 2HD1 ILE 50 1.548 4.829 1.336 424 H THR 51 H THR 51 1.532 7.300 4.494 425 HA THR 51 HA THR 51 -1.051 6.869 5.785 426 HB THR 51 HB THR 51 -0.193 9.003 6.352 427 HG1 THR 51 HG1 THR 51 -2.038 9.972 5.954 428 HG21 THR 51 3HG2 THR 51 0.182 9.521 3.408 429 HG22 THR 51 1HG2 THR 51 1.466 9.234 4.578 430 HG23 THR 51 2HG2 THR 51 0.468 10.683 4.702 431 H GLU 52 H GLU 52 -2.966 7.132 4.699 432 HA GLU 52 HA GLU 52 -3.298 5.849 2.271 433 HB2 GLU 52 2HB GLU 52 -4.993 6.318 4.077 434 HB3 GLU 52 1HB GLU 52 -5.111 7.954 3.458 435 HG2 GLU 52 2HG GLU 52 -5.840 7.010 1.276 436 HG3 GLU 52 1HG GLU 52 -5.867 5.413 2.037 437 H ARG 53 H ARG 53 -2.982 9.253 3.028 438 HA ARG 53 HA ARG 53 -3.661 10.295 0.496 439 HE ARG 53 HE ARG 53 -6.164 10.421 2.487 440 HB2 ARG 53 2HB ARG 53 -1.913 11.475 2.661 441 HB3 ARG 53 1HB ARG 53 -2.612 12.364 1.317 442 HG2 ARG 53 2HG ARG 53 -4.272 10.894 3.343 443 HG3 ARG 53 1HG ARG 53 -3.800 12.585 3.526 444 HD2 ARG 53 2HD ARG 53 -5.658 13.069 2.398 445 HD3 ARG 53 1HD ARG 53 -4.817 12.474 0.969 446 HH11 ARG 53 1HH1 ARG 53 -6.445 12.804 -0.057 447 HH12 ARG 53 2HH1 ARG 53 -7.827 12.048 -0.798 448 HH21 ARG 53 1HH2 ARG 53 -7.975 9.392 1.504 449 HH22 ARG 53 2HH2 ARG 53 -8.720 10.133 0.110 450 H GLU 54 H GLU 54 -0.644 9.185 1.906 451 HA GLU 54 HA GLU 54 1.076 10.216 -0.105 452 HB2 GLU 54 2HB GLU 54 1.893 9.523 2.132 453 HB3 GLU 54 1HB GLU 54 1.525 7.850 1.732 454 HG2 GLU 54 2HG GLU 54 3.095 8.128 -0.237 455 HG3 GLU 54 1HG GLU 54 3.609 9.633 0.515 456 H ALA 55 H ALA 55 -0.384 7.043 0.477 457 HA ALA 55 HA ALA 55 0.757 5.642 -1.628 458 HB1 ALA 55 3HB ALA 55 -1.117 4.105 -1.444 459 HB2 ALA 55 1HB ALA 55 -2.029 5.304 -0.526 460 HB3 ALA 55 2HB ALA 55 -0.561 4.600 0.152 461 H LEU 56 H LEU 56 -2.210 7.572 -1.597 462 HA LEU 56 HA LEU 56 -2.970 7.137 -4.270 463 HG LEU 56 HG LEU 56 -4.169 7.577 -1.412 464 HB2 LEU 56 2HB LEU 56 -3.417 9.647 -2.657 465 HB3 LEU 56 1HB LEU 56 -4.371 9.083 -4.014 466 HD11 LEU 56 1HD1 LEU 56 -6.218 9.597 -2.304 467 HD12 LEU 56 2HD1 LEU 56 -5.140 9.713 -0.907 468 HD13 LEU 56 3HD1 LEU 56 -6.419 8.497 -0.941 469 HD21 LEU 56 3HD2 LEU 56 -4.834 6.237 -3.329 470 HD22 LEU 56 1HD2 LEU 56 -6.098 7.403 -3.724 471 HD23 LEU 56 2HD2 LEU 56 -6.193 6.472 -2.230 472 H ASP 57 H ASP 57 -0.955 9.627 -2.780 473 HA ASP 57 HA ASP 57 -0.660 11.188 -5.125 474 HB2 ASP 57 2HB ASP 57 -0.333 11.967 -2.746 475 HB3 ASP 57 1HB ASP 57 1.206 11.115 -2.748 476 H ARG 58 H ARG 58 1.484 8.824 -3.548 477 HA ARG 58 HA ARG 58 3.597 9.238 -5.415 478 HE ARG 58 HE ARG 58 5.080 5.003 -3.383 479 HB2 ARG 58 2HB ARG 58 4.724 7.384 -4.282 480 HB3 ARG 58 1HB ARG 58 4.077 8.540 -3.131 481 HG2 ARG 58 2HG ARG 58 2.168 7.040 -2.726 482 HG3 ARG 58 1HG ARG 58 2.881 5.873 -3.841 483 HD2 ARG 58 2HD ARG 58 4.235 6.897 -1.348 484 HD3 ARG 58 1HD ARG 58 3.339 5.382 -1.443 485 HH11 ARG 58 1HH1 ARG 58 5.583 6.281 -0.151 486 HH12 ARG 58 2HH1 ARG 58 7.248 5.778 -0.092 487 HH21 ARG 58 1HH2 ARG 58 7.258 4.320 -3.286 488 HH22 ARG 58 2HH2 ARG 58 8.201 4.666 -1.866 489 H TYR 59 H TYR 59 0.908 6.992 -5.291 490 HA TYR 59 HA TYR 59 2.115 5.492 -7.515 491 HD1 TYR 59 HD2 TYR 59 3.112 3.505 -6.966 492 HD2 TYR 59 HD1 TYR 59 0.531 3.998 -3.626 493 HE1 TYR 59 HE2 TYR 59 4.784 2.433 -5.525 494 HE2 TYR 59 HE1 TYR 59 2.207 2.937 -2.173 495 HH TYR 59 HH TYR 59 4.103 1.376 -2.398 496 HB2 TYR 59 2HB TYR 59 -0.164 4.760 -5.677 497 HB3 TYR 59 1HB TYR 59 0.373 3.778 -7.033 498 H SER 60 H SER 60 0.219 8.063 -7.188 499 HA SER 60 HA SER 60 -1.172 9.190 -8.582 500 HG SER 60 HG SER 60 1.370 7.686 -10.162 501 HB2 SER 60 2HB SER 60 -0.628 7.003 -10.601 502 HB3 SER 60 1HB SER 60 -1.154 8.653 -10.931 503 H LEU 61 H LEU 61 -2.185 7.175 -6.790 504 HA LEU 61 HA LEU 61 -4.308 5.801 -8.220 505 HG LEU 61 HG LEU 61 -1.835 4.820 -6.484 506 HB2 LEU 61 2HB LEU 61 -3.724 5.869 -5.260 507 HB3 LEU 61 1HB LEU 61 -4.826 4.781 -6.076 508 HD11 LEU 61 1HD1 LEU 61 -2.403 4.084 -4.239 509 HD12 LEU 61 2HD1 LEU 61 -1.861 2.720 -5.217 510 HD13 LEU 61 3HD1 LEU 61 -3.579 2.944 -4.893 511 HD21 LEU 61 3HD2 LEU 61 -3.942 2.875 -7.419 512 HD22 LEU 61 1HD2 LEU 61 -2.202 2.721 -7.664 513 HD23 LEU 61 2HD2 LEU 61 -3.089 4.037 -8.434 514 H SER 62 H SER 62 -6.475 6.233 -7.998 515 HA SER 62 HA SER 62 -7.190 8.796 -6.822 516 HG SER 62 HG SER 62 -7.704 9.213 -9.232 517 HB2 SER 62 2HB SER 62 -8.909 6.797 -8.325 518 HB3 SER 62 1HB SER 62 -9.372 8.439 -7.876 519 H GLU 63 H GLU 63 -9.158 8.882 -5.440 520 HA GLU 63 HA GLU 63 -8.761 7.302 -3.164 521 HB2 GLU 63 2HB GLU 63 -9.761 9.659 -3.427 522 HB3 GLU 63 1HB GLU 63 -11.275 8.829 -3.756 523 HG2 GLU 63 2HG GLU 63 -11.314 7.859 -1.613 524 HG3 GLU 63 1HG GLU 63 -9.650 8.348 -1.295 525 H GLU 64 H GLU 64 -11.123 7.135 -5.785 526 HA GLU 64 HA GLU 64 -12.672 5.050 -4.633 527 HB2 GLU 64 2HB GLU 64 -13.579 4.779 -6.948 528 HB3 GLU 64 1HB GLU 64 -13.686 6.410 -6.307 529 HG2 GLU 64 2HG GLU 64 -11.651 6.993 -7.598 530 HG3 GLU 64 1HG GLU 64 -11.700 5.386 -8.321 531 H GLU 65 H GLU 65 -9.740 5.104 -6.487 532 HA GLU 65 HA GLU 65 -9.639 2.380 -7.249 533 HB2 GLU 65 2HB GLU 65 -8.146 3.997 -8.259 534 HB3 GLU 65 1HB GLU 65 -7.469 4.420 -6.697 535 HG2 GLU 65 2HG GLU 65 -5.838 3.103 -7.683 536 HG3 GLU 65 1HG GLU 65 -6.672 1.995 -6.598 537 H PHE 66 H PHE 66 -8.068 4.100 -4.553 538 HA PHE 66 HA PHE 66 -7.103 1.822 -3.234 539 HD1 PHE 66 HD2 PHE 66 -4.629 2.701 -2.005 540 HD2 PHE 66 HD1 PHE 66 -8.091 3.654 0.283 541 HE1 PHE 66 HE2 PHE 66 -3.500 1.901 0.030 542 HE2 PHE 66 HE1 PHE 66 -6.966 2.858 2.319 543 HZ PHE 66 HZ PHE 66 -4.670 1.980 2.193 544 HB2 PHE 66 2HB PHE 66 -6.379 4.204 -2.858 545 HB3 PHE 66 1HB PHE 66 -7.861 4.453 -1.947 546 H ALA 67 H ALA 67 -10.212 3.422 -3.149 547 HA ALA 67 HA ALA 67 -11.321 2.192 -0.890 548 HB1 ALA 67 3HB ALA 67 -13.483 2.729 -1.857 549 HB2 ALA 67 1HB ALA 67 -12.731 3.015 -3.425 550 HB3 ALA 67 2HB ALA 67 -12.366 4.078 -2.066 551 H LEU 68 H LEU 68 -11.028 1.090 -4.233 552 HA LEU 68 HA LEU 68 -12.547 -1.297 -3.875 553 HG LEU 68 HG LEU 68 -12.534 0.802 -6.085 554 HB2 LEU 68 2HB LEU 68 -10.469 -0.548 -5.930 555 HB3 LEU 68 1HB LEU 68 -11.439 -2.009 -5.996 556 HD11 LEU 68 1HD1 LEU 68 -12.212 -1.237 -8.281 557 HD12 LEU 68 2HD1 LEU 68 -11.248 0.225 -8.087 558 HD13 LEU 68 3HD1 LEU 68 -12.973 0.346 -8.432 559 HD21 LEU 68 3HD2 LEU 68 -14.636 -0.291 -6.698 560 HD22 LEU 68 1HD2 LEU 68 -14.093 -0.795 -5.099 561 HD23 LEU 68 2HD2 LEU 68 -13.880 -1.870 -6.481 562 H TRP 69 H TRP 69 -9.106 -0.498 -3.768 563 HA TRP 69 HA TRP 69 -8.037 -3.044 -3.387 564 HD1 TRP 69 HD1 TRP 69 -8.092 -1.038 -5.341 565 HE1 TRP 69 HE1 TRP 69 -6.443 -0.318 -7.176 566 HE3 TRP 69 HE3 TRP 69 -3.825 -0.807 -2.531 567 HZ2 TRP 69 HZ2 TRP 69 -3.687 0.243 -7.400 568 HZ3 TRP 69 HZ3 TRP 69 -1.727 -0.174 -3.640 569 HH2 TRP 69 HH2 TRP 69 -1.658 0.338 -6.021 570 HB2 TRP 69 2HB TRP 69 -7.126 -0.424 -2.174 571 HB3 TRP 69 1HB TRP 69 -6.176 -1.904 -2.178 572 H ARG 70 H ARG 70 -9.057 -0.711 -0.910 573 HA ARG 70 HA ARG 70 -8.678 -2.530 1.246 574 HE ARG 70 HE ARG 70 -10.695 0.993 3.643 575 HB2 ARG 70 2HB ARG 70 -9.670 -0.830 2.633 576 HB3 ARG 70 1HB ARG 70 -8.600 -0.053 1.473 577 HG2 ARG 70 2HG ARG 70 -10.683 0.338 0.064 578 HG3 ARG 70 1HG ARG 70 -11.596 -0.098 1.509 579 HD2 ARG 70 2HD ARG 70 -9.620 2.150 1.226 580 HD3 ARG 70 1HD ARG 70 -11.367 2.294 1.401 581 HH11 ARG 70 1HH1 ARG 70 -9.461 3.850 2.085 582 HH12 ARG 70 2HH1 ARG 70 -8.842 4.568 3.538 583 HH21 ARG 70 1HH2 ARG 70 -9.906 1.928 5.602 584 HH22 ARG 70 2HH2 ARG 70 -9.101 3.465 5.550 585 H SER 71 H SER 71 -11.225 -2.034 -1.004 586 HA SER 71 HA SER 71 -13.351 -3.090 0.561 587 HG SER 71 HG SER 71 -14.933 -4.172 -1.105 588 HB2 SER 71 2HB SER 71 -13.648 -1.722 -1.521 589 HB3 SER 71 1HB SER 71 -13.082 -3.101 -2.456 590 H ALA 72 H ALA 72 -10.997 -4.473 -1.671 591 HA ALA 72 HA ALA 72 -12.098 -7.129 -1.384 592 HB1 ALA 72 3HB ALA 72 -11.113 -6.410 -3.501 593 HB2 ALA 72 1HB ALA 72 -10.285 -7.823 -2.852 594 HB3 ALA 72 2HB ALA 72 -9.548 -6.228 -2.713 595 H VAL 73 H VAL 73 -9.196 -5.411 -0.268 596 HA VAL 73 HA VAL 73 -8.125 -7.783 0.960 597 HB VAL 73 HB VAL 73 -7.187 -4.921 1.174 598 HG11 VAL 73 1HG1 VAL 73 -5.796 -7.498 1.902 599 HG12 VAL 73 2HG1 VAL 73 -6.378 -6.272 3.027 600 HG13 VAL 73 3HG1 VAL 73 -5.061 -5.894 1.919 601 HG21 VAL 73 3HG2 VAL 73 -5.491 -5.585 -0.476 602 HG22 VAL 73 1HG2 VAL 73 -7.128 -5.723 -1.119 603 HG23 VAL 73 2HG2 VAL 73 -6.256 -7.170 -0.610 604 H ALA 74 H ALA 74 -9.487 -4.717 2.199 605 HA ALA 74 HA ALA 74 -9.105 -5.568 4.935 606 HB1 ALA 74 3HB ALA 74 -10.536 -3.129 3.883 607 HB2 ALA 74 1HB ALA 74 -8.824 -3.211 4.301 608 HB3 ALA 74 2HB ALA 74 -10.047 -3.420 5.553 609 H ALA 75 H ALA 75 -11.037 -6.875 2.944 610 HA ALA 75 HA ALA 75 -13.146 -7.238 4.953 611 HB1 ALA 75 3HB ALA 75 -14.108 -5.913 3.143 612 HB2 ALA 75 1HB ALA 75 -14.806 -7.532 3.169 613 HB3 ALA 75 2HB ALA 75 -13.585 -7.118 1.964 614 H HIS 76 H HIS 76 -10.569 -8.528 3.829 615 HA HIS 76 HA HIS 76 -11.436 -11.061 2.792 616 HD1 HIS 76 HD1 HIS 76 -9.596 -12.834 1.277 617 HD2 HIS 76 HD2 HIS 76 -7.403 -12.109 4.743 618 HE1 HIS 76 HE1 HIS 76 -8.279 -14.934 1.708 619 HE2 HIS 76 HE2 HIS 76 -6.851 -14.416 3.721 620 HB2 HIS 76 2HB HIS 76 -9.321 -10.246 2.022 621 HB3 HIS 76 1HB HIS 76 -8.749 -9.997 3.664 622 H GLY 77 H GLY 77 -12.490 -12.386 4.104 623 HA2 GLY 77 2HA GLY 77 -11.395 -12.819 6.815 624 HA3 GLY 77 1HA GLY 77 -13.078 -13.072 6.374 625 H GLU 78 H GLU 78 -9.968 -14.463 6.577 626 HA GLU 78 HA GLU 78 -10.665 -16.743 4.900 627 HB2 GLU 78 2HB GLU 78 -8.431 -17.546 5.300 628 HB3 GLU 78 1HB GLU 78 -8.336 -15.830 4.926 629 HG2 GLU 78 2HG GLU 78 -8.344 -16.883 7.738 630 HG3 GLU 78 1HG GLU 78 -6.869 -16.670 6.803 631 H LYS 79 H LYS 79 -10.646 -15.783 8.190 632 HA LYS 79 HA LYS 79 -10.966 -18.507 9.155 633 HB2 LYS 79 2HB LYS 79 -11.137 -17.201 11.415 634 HB3 LYS 79 1HB LYS 79 -9.578 -17.389 10.623 635 HG2 LYS 79 2HG LYS 79 -9.831 -15.138 9.655 636 HG3 LYS 79 1HG LYS 79 -11.347 -14.956 10.534 637 HD2 LYS 79 2HD LYS 79 -10.243 -14.989 12.626 638 HD3 LYS 79 1HD LYS 79 -8.736 -15.559 11.900 639 HE2 LYS 79 2HE LYS 79 -10.015 -12.878 11.357 640 HE3 LYS 79 1HE LYS 79 -8.681 -13.152 12.478 641 HZ1 LYS 79 3HZ LYS 79 -7.333 -13.940 10.642 642 HZ2 LYS 79 1HZ LYS 79 -7.891 -12.375 10.331 643 HZ3 LYS 79 2HZ LYS 79 -8.608 -13.696 9.551 644 H ALA 80 H ALA 80 -12.723 -15.420 9.501 645 HA ALA 80 HA ALA 80 -15.262 -16.501 8.939 646 HB1 ALA 80 3HB ALA 80 -16.283 -16.437 11.154 647 HB2 ALA 80 1HB ALA 80 -14.726 -16.027 11.874 648 HB3 ALA 80 2HB ALA 80 -14.960 -17.604 11.123 649 H LEU 81 H LEU 81 -16.933 -14.870 9.076 650 HA LEU 81 HA LEU 81 -15.837 -12.170 9.503 651 HG LEU 81 HG LEU 81 -15.356 -11.792 7.167 652 HB2 LEU 81 2HB LEU 81 -18.019 -13.103 7.649 653 HB3 LEU 81 1HB LEU 81 -17.759 -11.414 8.037 654 HD11 LEU 81 1HD1 LEU 81 -16.732 -14.166 5.920 655 HD12 LEU 81 2HD1 LEU 81 -15.396 -14.216 7.070 656 HD13 LEU 81 3HD1 LEU 81 -15.151 -13.535 5.460 657 HD21 LEU 81 3HD2 LEU 81 -17.064 -10.442 6.038 658 HD22 LEU 81 1HD2 LEU 81 -17.667 -11.892 5.236 659 HD23 LEU 81 2HD2 LEU 81 -16.039 -11.308 4.894 660 H LYS 82 H LYS 82 -16.256 -12.292 11.700 661 HA LYS 82 HA LYS 82 -19.063 -12.290 12.542 662 HB2 LYS 82 2HB LYS 82 -17.469 -13.755 13.751 663 HB3 LYS 82 1HB LYS 82 -16.509 -12.346 14.174 664 HG2 LYS 82 2HG LYS 82 -18.425 -11.461 15.444 665 HG3 LYS 82 1HG LYS 82 -19.320 -12.933 15.069 666 HD2 LYS 82 2HD LYS 82 -17.592 -14.255 16.201 667 HD3 LYS 82 1HD LYS 82 -16.724 -12.772 16.595 668 HE2 LYS 82 2HE LYS 82 -18.697 -12.000 17.869 669 HE3 LYS 82 1HE LYS 82 -19.490 -13.537 17.526 670 HZ1 LYS 82 3HZ LYS 82 -16.947 -13.203 19.022 671 HZ2 LYS 82 1HZ LYS 82 -17.720 -14.679 18.708 672 HZ3 LYS 82 2HZ LYS 82 -18.459 -13.528 19.713 673 H VAL 83 H VAL 83 -19.736 -10.565 14.059 674 HA VAL 83 HA VAL 83 -19.467 -8.053 12.991 675 HB VAL 83 HB VAL 83 -21.271 -8.641 14.515 676 HG11 VAL 83 1HG1 VAL 83 -20.973 -8.705 16.923 677 HG12 VAL 83 2HG1 VAL 83 -19.238 -8.463 16.732 678 HG13 VAL 83 3HG1 VAL 83 -19.992 -9.945 16.141 679 HG21 VAL 83 3HG2 VAL 83 -20.868 -6.290 14.143 680 HG22 VAL 83 1HG2 VAL 83 -19.663 -6.258 15.433 681 HG23 VAL 83 2HG2 VAL 83 -21.360 -6.543 15.817 682 H THR 84 H THR 84 -17.515 -9.474 15.558 683 HA THR 84 HA THR 84 -16.098 -7.076 16.188 684 HB THR 84 HB THR 84 -15.331 -9.938 16.763 685 HG1 THR 84 HG1 THR 84 -17.050 -8.127 18.146 686 HG21 THR 84 3HG2 THR 84 -14.147 -8.978 18.692 687 HG22 THR 84 1HG2 THR 84 -14.616 -7.358 18.169 688 HG23 THR 84 2HG2 THR 84 -13.532 -8.328 17.173 689 H MET 85 H MET 85 -15.635 -9.735 13.970 690 HA MET 85 HA MET 85 -12.843 -9.342 13.580 691 HB2 MET 85 2HB MET 85 -14.947 -10.975 12.204 692 HB3 MET 85 1HB MET 85 -13.355 -10.796 11.479 693 HG2 MET 85 2HG MET 85 -13.480 -12.838 12.761 694 HG3 MET 85 1HG MET 85 -12.327 -11.724 13.489 695 HE1 MET 85 3HE MET 85 -13.411 -14.262 15.046 696 HE2 MET 85 1HE MET 85 -13.739 -13.557 16.628 697 HE3 MET 85 2HE MET 85 -12.293 -13.085 15.739 698 H ILE 86 H ILE 86 -15.724 -8.061 12.055 699 HA ILE 86 HA ILE 86 -14.673 -7.196 9.628 700 HB ILE 86 HB ILE 86 -16.784 -5.872 11.337 701 HG12 ILE 86 2HG1 ILE 86 -17.740 -7.064 8.914 702 HG13 ILE 86 1HG1 ILE 86 -16.759 -8.245 9.777 703 HG21 ILE 86 1HG2 ILE 86 -16.010 -5.329 8.474 704 HG22 ILE 86 2HG2 ILE 86 -15.911 -4.211 9.837 705 HG23 ILE 86 3HG2 ILE 86 -17.484 -4.740 9.245 706 HD11 ILE 86 3HD1 ILE 86 -19.073 -6.725 10.945 707 HD12 ILE 86 1HD1 ILE 86 -18.113 -7.965 11.755 708 HD13 ILE 86 2HD1 ILE 86 -19.120 -8.390 10.367 709 H GLN 87 H GLN 87 -14.634 -5.529 12.774 710 HA GLN 87 HA GLN 87 -13.300 -3.222 11.815 711 HB2 GLN 87 2HB GLN 87 -14.529 -3.217 13.933 712 HB3 GLN 87 1HB GLN 87 -13.379 -4.362 14.613 713 HG2 GLN 87 2HG GLN 87 -11.597 -2.732 14.419 714 HG3 GLN 87 1HG GLN 87 -12.704 -1.584 13.670 715 HE21 GLN 87 1HE2 GLN 87 -11.122 -1.343 16.104 716 HE22 GLN 87 2HE2 GLN 87 -12.251 -0.999 17.366 717 H LYS 88 H LYS 88 -12.213 -6.366 12.847 718 HA LYS 88 HA LYS 88 -9.470 -5.619 13.208 719 HB2 LYS 88 2HB LYS 88 -10.766 -8.328 12.867 720 HB3 LYS 88 1HB LYS 88 -9.060 -8.087 13.211 721 HG2 LYS 88 2HG LYS 88 -9.715 -6.913 15.304 722 HG3 LYS 88 1HG LYS 88 -11.390 -7.356 14.968 723 HD2 LYS 88 2HD LYS 88 -10.396 -8.936 16.527 724 HD3 LYS 88 1HD LYS 88 -10.755 -9.731 14.994 725 HE2 LYS 88 2HE LYS 88 -8.591 -10.452 15.756 726 HE3 LYS 88 1HE LYS 88 -8.387 -9.434 14.332 727 HZ1 LYS 88 3HZ LYS 88 -6.763 -8.777 15.890 728 HZ2 LYS 88 1HZ LYS 88 -7.878 -8.715 17.165 729 HZ3 LYS 88 2HZ LYS 88 -7.946 -7.564 15.929 730 H TYR 89 H TYR 89 -11.437 -6.342 10.492 731 HA TYR 89 HA TYR 89 -9.121 -6.870 8.791 732 HD1 TYR 89 HD2 TYR 89 -9.163 -9.039 8.503 733 HD2 TYR 89 HD1 TYR 89 -13.389 -8.542 8.464 734 HE1 TYR 89 HE2 TYR 89 -9.437 -11.374 9.223 735 HE2 TYR 89 HE1 TYR 89 -13.677 -10.876 9.179 736 HH TYR 89 HH TYR 89 -12.593 -12.897 9.362 737 HB2 TYR 89 2HB TYR 89 -12.059 -6.711 8.062 738 HB3 TYR 89 1HB TYR 89 -10.758 -7.184 6.977 739 H ARG 90 H ARG 90 -11.722 -4.486 9.174 740 HA ARG 90 HA ARG 90 -10.884 -2.707 7.163 741 HE ARG 90 HE ARG 90 -15.422 -2.121 6.206 742 HB2 ARG 90 2HB ARG 90 -12.427 -2.256 9.717 743 HB3 ARG 90 1HB ARG 90 -12.149 -0.987 8.535 744 HG2 ARG 90 2HG ARG 90 -13.637 -3.561 8.061 745 HG3 ARG 90 1HG ARG 90 -14.349 -1.959 8.259 746 HD2 ARG 90 2HD ARG 90 -12.925 -1.261 6.267 747 HD3 ARG 90 1HD ARG 90 -12.647 -2.983 6.005 748 HH11 ARG 90 1HH1 ARG 90 -12.738 -3.068 4.174 749 HH12 ARG 90 2HH1 ARG 90 -13.712 -3.290 2.757 750 HH21 ARG 90 1HH2 ARG 90 -16.722 -2.408 4.339 751 HH22 ARG 90 2HH2 ARG 90 -15.986 -2.931 2.851 752 H GLN 91 H GLN 91 -10.113 -2.886 10.601 753 HA GLN 91 HA GLN 91 -7.899 -1.009 10.142 754 HB2 GLN 91 2HB GLN 91 -9.942 -0.591 11.847 755 HB3 GLN 91 1HB GLN 91 -8.907 -1.548 12.894 756 HG2 GLN 91 2HG GLN 91 -8.086 0.980 11.493 757 HG3 GLN 91 1HG GLN 91 -8.606 0.874 13.170 758 HE21 GLN 91 1HE2 GLN 91 -6.063 0.250 10.910 759 HE22 GLN 91 2HE2 GLN 91 -4.845 -0.136 12.068 760 H LEU 92 H LEU 92 -7.261 -3.333 9.334 761 HA LEU 92 HA LEU 92 -6.623 -5.342 11.183 762 HG LEU 92 HG LEU 92 -6.818 -7.300 9.543 763 HB2 LEU 92 2HB LEU 92 -6.609 -5.148 8.476 764 HB3 LEU 92 1HB LEU 92 -4.890 -5.102 8.811 765 HD11 LEU 92 1HD1 LEU 92 -6.144 -7.302 7.213 766 HD12 LEU 92 2HD1 LEU 92 -5.416 -8.659 8.074 767 HD13 LEU 92 3HD1 LEU 92 -4.446 -7.238 7.688 768 HD21 LEU 92 3HD2 LEU 92 -3.887 -7.057 10.200 769 HD22 LEU 92 1HD2 LEU 92 -4.892 -8.480 10.471 770 HD23 LEU 92 2HD2 LEU 92 -5.224 -6.987 11.350 771 H HIS 93 H HIS 93 -5.481 -4.750 12.923 772 HA HIS 93 HA HIS 93 -2.871 -3.471 12.513 773 HD1 HIS 93 HD1 HIS 93 -3.036 -3.652 17.111 774 HD2 HIS 93 HD2 HIS 93 -1.415 -1.662 13.836 775 HE1 HIS 93 HE1 HIS 93 -0.916 -2.588 17.943 776 HE2 HIS 93 HE2 HIS 93 -0.069 -1.217 16.004 777 HB2 HIS 93 2HB HIS 93 -4.415 -2.447 14.174 778 HB3 HIS 93 1HB HIS 93 -4.407 -3.951 15.082 779 H HIS 94 H HIS 94 -4.465 -6.228 14.021 780 HA HIS 94 HA HIS 94 -2.296 -7.998 13.463 781 HD1 HIS 94 HD1 HIS 94 -2.634 -9.567 17.477 782 HD2 HIS 94 HD2 HIS 94 0.367 -8.934 14.667 783 HE1 HIS 94 HE1 HIS 94 -1.036 -11.497 17.740 784 HE2 HIS 94 HE2 HIS 94 0.708 -11.157 15.947 785 HB2 HIS 94 2HB HIS 94 -1.406 -6.777 15.460 786 HB3 HIS 94 1HB HIS 94 -2.804 -7.325 16.378 787 H HIS 95 H HIS 95 -2.972 -10.194 13.735 788 HA HIS 95 HA HIS 95 -5.821 -10.479 13.922 789 HD1 HIS 95 HD1 HIS 95 -3.065 -13.285 11.269 790 HD2 HIS 95 HD2 HIS 95 -2.524 -12.679 15.350 791 HE1 HIS 95 HE1 HIS 95 -0.791 -14.208 11.798 792 HE2 HIS 95 HE2 HIS 95 -0.592 -14.043 14.304 793 HB2 HIS 95 2HB HIS 95 -5.346 -12.944 13.555 794 HB3 HIS 95 1HB HIS 95 -4.865 -11.852 12.271 Start of MODEL 3 1 HA MET 1 HA MET 1 16.125 13.118 19.643 2 H1 MET 1 1H MET 1 17.213 11.456 18.293 3 H2 MET 1 2H MET 1 17.920 12.982 18.087 4 H3 MET 1 3H MET 1 16.893 12.359 16.891 5 HB2 MET 1 2HB MET 1 15.581 14.391 16.956 6 HB3 MET 1 1HB MET 1 14.711 14.813 18.424 7 HG2 MET 1 2HG MET 1 17.680 15.077 18.017 8 HG3 MET 1 1HG MET 1 16.506 16.389 17.917 9 HE1 MET 1 3HE MET 1 18.506 17.036 21.270 10 HE2 MET 1 1HE MET 1 18.135 17.651 19.660 11 HE3 MET 1 2HE MET 1 19.169 16.234 19.844 12 H TYR 2 H TYR 2 14.455 12.057 20.401 13 HA TYR 2 HA TYR 2 12.445 11.017 18.513 14 HD1 TYR 2 HD2 TYR 2 12.187 8.580 17.672 15 HD2 TYR 2 HD1 TYR 2 15.574 8.682 20.242 16 HE1 TYR 2 HE2 TYR 2 13.403 7.117 16.115 17 HE2 TYR 2 HE1 TYR 2 16.799 7.217 18.694 18 HH TYR 2 HH TYR 2 16.269 5.537 16.949 19 HB2 TYR 2 2HB TYR 2 13.595 9.656 20.948 20 HB3 TYR 2 1HB TYR 2 12.077 9.161 20.213 21 H LEU 3 H LEU 3 12.989 13.273 20.739 22 HA LEU 3 HA LEU 3 10.658 12.938 22.406 23 HG LEU 3 HG LEU 3 13.696 13.417 23.083 24 HB2 LEU 3 2HB LEU 3 12.503 15.305 22.069 25 HB3 LEU 3 1HB LEU 3 11.246 15.170 23.283 26 HD11 LEU 3 1HD1 LEU 3 12.951 15.579 25.047 27 HD12 LEU 3 2HD1 LEU 3 14.220 15.669 23.825 28 HD13 LEU 3 3HD1 LEU 3 14.363 14.527 25.159 29 HD21 LEU 3 3HD2 LEU 3 11.763 12.205 23.961 30 HD22 LEU 3 1HD2 LEU 3 11.510 13.476 25.158 31 HD23 LEU 3 2HD2 LEU 3 12.971 12.492 25.214 32 H LYS 4 H LYS 4 11.656 15.541 20.189 33 HA LYS 4 HA LYS 4 8.811 16.063 19.663 34 HB2 LYS 4 2HB LYS 4 11.271 17.778 19.483 35 HB3 LYS 4 1HB LYS 4 9.792 18.222 18.641 36 HG2 LYS 4 2HG LYS 4 8.592 18.187 20.790 37 HG3 LYS 4 1HG LYS 4 10.117 17.836 21.610 38 HD2 LYS 4 2HD LYS 4 11.027 19.934 21.020 39 HD3 LYS 4 1HD LYS 4 9.751 20.239 19.839 40 HE2 LYS 4 2HE LYS 4 9.408 20.098 22.833 41 HE3 LYS 4 1HE LYS 4 9.423 21.567 21.861 42 HZ1 LYS 4 3HZ LYS 4 7.171 21.019 22.270 43 HZ2 LYS 4 1HZ LYS 4 7.397 19.398 21.823 44 HZ3 LYS 4 2HZ LYS 4 7.466 20.621 20.650 45 H ARG 5 H ARG 5 10.860 14.091 18.398 46 HA ARG 5 HA ARG 5 9.893 14.561 15.689 47 HE ARG 5 HE ARG 5 13.026 16.380 14.086 48 HB2 ARG 5 2HB ARG 5 12.126 15.532 15.679 49 HB3 ARG 5 1HB ARG 5 12.798 14.052 16.351 50 HG2 ARG 5 2HG ARG 5 12.231 12.838 14.340 51 HG3 ARG 5 1HG ARG 5 11.436 14.265 13.673 52 HD2 ARG 5 2HD ARG 5 14.360 14.101 14.393 53 HD3 ARG 5 1HD ARG 5 13.712 13.879 12.768 54 HH11 ARG 5 1HH1 ARG 5 15.158 14.701 11.871 55 HH12 ARG 5 2HH1 ARG 5 15.682 16.153 11.072 56 HH21 ARG 5 1HH2 ARG 5 13.716 18.289 13.037 57 HH22 ARG 5 2HH2 ARG 5 14.852 18.194 11.730 58 H VAL 6 H VAL 6 8.552 12.833 15.718 59 HA VAL 6 HA VAL 6 9.730 10.198 16.209 60 HB VAL 6 HB VAL 6 6.852 10.936 15.624 61 HG11 VAL 6 1HG1 VAL 6 8.052 8.315 16.514 62 HG12 VAL 6 2HG1 VAL 6 7.407 8.665 14.911 63 HG13 VAL 6 3HG1 VAL 6 6.332 8.648 16.309 64 HG21 VAL 6 3HG2 VAL 6 7.578 11.799 17.783 65 HG22 VAL 6 1HG2 VAL 6 8.191 10.207 18.230 66 HG23 VAL 6 2HG2 VAL 6 6.460 10.451 18.001 67 H ASP 7 H ASP 7 10.893 9.628 14.485 68 HA ASP 7 HA ASP 7 10.476 10.409 11.841 69 HB2 ASP 7 2HB ASP 7 12.582 9.412 12.874 70 HB3 ASP 7 1HB ASP 7 11.815 7.839 12.692 71 H GLY 8 H GLY 8 9.365 9.536 10.177 72 HA2 GLY 8 2HA GLY 8 7.001 8.152 10.640 73 HA3 GLY 8 1HA GLY 8 7.774 8.306 9.068 74 HA PRO 9 HA PRO 9 8.049 3.976 11.488 75 HB2 PRO 9 2HB PRO 9 5.767 3.353 9.671 76 HB3 PRO 9 1HB PRO 9 6.101 2.769 11.305 77 HG2 PRO 9 2HG PRO 9 4.256 4.643 10.888 78 HG3 PRO 9 1HG PRO 9 5.316 4.704 12.306 79 HD2 PRO 9 2HD PRO 9 5.383 6.336 9.818 80 HD3 PRO 9 1HD PRO 9 5.817 6.787 11.480 81 H ARG 10 H ARG 10 9.524 2.703 10.614 82 HA ARG 10 HA ARG 10 10.059 3.045 7.757 83 HE ARG 10 HE ARG 10 13.052 6.265 10.047 84 HB2 ARG 10 2HB ARG 10 11.833 2.027 9.982 85 HB3 ARG 10 1HB ARG 10 12.327 2.233 8.306 86 HG2 ARG 10 2HG ARG 10 11.926 4.622 8.456 87 HG3 ARG 10 1HG ARG 10 11.357 4.437 10.113 88 HD2 ARG 10 2HD ARG 10 13.566 3.654 10.789 89 HD3 ARG 10 1HD ARG 10 14.133 3.801 9.126 90 HH11 ARG 10 1HH1 ARG 10 15.889 4.224 10.404 91 HH12 ARG 10 2HH1 ARG 10 16.963 5.566 10.688 92 HH21 ARG 10 1HH2 ARG 10 14.451 8.002 10.416 93 HH22 ARG 10 2HH2 ARG 10 16.145 7.718 10.683 94 H GLN 11 H GLN 11 8.878 0.773 9.985 95 HA GLN 11 HA GLN 11 8.332 -1.063 7.876 96 HB2 GLN 11 2HB GLN 11 9.483 -3.018 8.781 97 HB3 GLN 11 1HB GLN 11 10.632 -1.762 8.340 98 HG2 GLN 11 2HG GLN 11 10.777 -1.113 10.718 99 HG3 GLN 11 1HG GLN 11 9.700 -2.452 11.119 100 HE21 GLN 11 1HE2 GLN 11 11.212 -3.491 12.378 101 HE22 GLN 11 2HE2 GLN 11 12.599 -4.279 11.709 102 H VAL 12 H VAL 12 6.658 -2.398 8.343 103 HA VAL 12 HA VAL 12 5.619 -2.397 11.099 104 HB VAL 12 HB VAL 12 3.307 -2.340 10.121 105 HG11 VAL 12 1HG1 VAL 12 4.239 -0.356 11.151 106 HG12 VAL 12 2HG1 VAL 12 3.288 0.097 9.736 107 HG13 VAL 12 3HG1 VAL 12 5.049 0.074 9.644 108 HG21 VAL 12 3HG2 VAL 12 3.843 -3.002 7.848 109 HG22 VAL 12 1HG2 VAL 12 4.775 -1.522 7.619 110 HG23 VAL 12 2HG2 VAL 12 3.029 -1.439 7.857 111 H THR 13 H THR 13 4.067 -4.213 11.478 112 HA THR 13 HA THR 13 5.088 -6.598 10.124 113 HB THR 13 HB THR 13 3.333 -6.449 12.581 114 HG1 THR 13 HG1 THR 13 5.300 -6.652 13.733 115 HG21 THR 13 3HG2 THR 13 5.107 -8.650 11.509 116 HG22 THR 13 1HG2 THR 13 3.345 -8.631 11.460 117 HG23 THR 13 2HG2 THR 13 4.182 -8.708 13.009 118 H LEU 14 H LEU 14 3.872 -7.909 8.875 119 HA LEU 14 HA LEU 14 1.188 -7.056 8.152 120 HG LEU 14 HG LEU 14 2.728 -8.131 4.945 121 HB2 LEU 14 2HB LEU 14 2.921 -9.325 7.163 122 HB3 LEU 14 1HB LEU 14 1.303 -9.019 6.575 123 HD11 LEU 14 1HD1 LEU 14 1.952 -5.818 6.713 124 HD12 LEU 14 2HD1 LEU 14 0.899 -6.620 5.545 125 HD13 LEU 14 3HD1 LEU 14 2.322 -5.735 4.991 126 HD21 LEU 14 3HD2 LEU 14 4.727 -8.168 6.500 127 HD22 LEU 14 1HD2 LEU 14 4.234 -6.548 6.990 128 HD23 LEU 14 2HD2 LEU 14 4.661 -6.873 5.307 129 HA PRO 15 HA PRO 15 -0.934 -10.213 10.543 130 HB2 PRO 15 2HB PRO 15 -2.656 -10.811 8.244 131 HB3 PRO 15 1HB PRO 15 -3.090 -10.108 9.803 132 HG2 PRO 15 2HG PRO 15 -3.113 -8.670 7.524 133 HG3 PRO 15 1HG PRO 15 -2.699 -7.954 9.092 134 HD2 PRO 15 2HD PRO 15 -0.890 -8.833 6.873 135 HD3 PRO 15 1HD PRO 15 -0.795 -7.386 7.901 136 H ASP 16 H ASP 16 0.434 -10.686 7.465 137 HA ASP 16 HA ASP 16 0.243 -13.517 7.262 138 HB2 ASP 16 2HB ASP 16 2.319 -11.724 5.984 139 HB3 ASP 16 1HB ASP 16 1.753 -13.288 5.408 140 H GLY 17 H GLY 17 2.135 -11.397 9.134 141 HA2 GLY 17 2HA GLY 17 3.662 -12.067 10.812 142 HA3 GLY 17 1HA GLY 17 3.907 -13.580 9.948 143 H THR 18 H THR 18 3.958 -11.439 7.591 144 HA THR 18 HA THR 18 6.812 -11.463 7.320 145 HB THR 18 HB THR 18 4.949 -9.886 5.563 146 HG1 THR 18 HG1 THR 18 5.199 -12.728 5.692 147 HG21 THR 18 3HG2 THR 18 6.431 -10.719 3.791 148 HG22 THR 18 1HG2 THR 18 7.353 -11.627 4.989 149 HG23 THR 18 2HG2 THR 18 7.339 -9.864 5.037 150 H VAL 19 H VAL 19 7.957 -9.379 6.680 151 HA VAL 19 HA VAL 19 7.090 -7.152 8.398 152 HB VAL 19 HB VAL 19 9.858 -7.768 7.336 153 HG11 VAL 19 1HG1 VAL 19 10.615 -5.963 8.795 154 HG12 VAL 19 2HG1 VAL 19 8.945 -5.626 9.252 155 HG13 VAL 19 3HG1 VAL 19 9.475 -5.365 7.590 156 HG21 VAL 19 3HG2 VAL 19 9.150 -9.343 9.059 157 HG22 VAL 19 1HG2 VAL 19 8.720 -8.002 10.121 158 HG23 VAL 19 2HG2 VAL 19 10.406 -8.268 9.675 159 H LEU 20 H LEU 20 6.601 -5.255 7.504 160 HA LEU 20 HA LEU 20 7.033 -4.920 4.607 161 HG LEU 20 HG LEU 20 5.332 -2.258 4.496 162 HB2 LEU 20 2HB LEU 20 4.675 -5.097 5.260 163 HB3 LEU 20 1HB LEU 20 4.875 -3.780 6.394 164 HD11 LEU 20 1HD1 LEU 20 4.826 -2.995 2.225 165 HD12 LEU 20 2HD1 LEU 20 4.583 -4.642 2.808 166 HD13 LEU 20 3HD1 LEU 20 6.180 -3.901 2.900 167 HD21 LEU 20 3HD2 LEU 20 3.023 -2.185 3.678 168 HD22 LEU 20 1HD2 LEU 20 3.098 -2.432 5.422 169 HD23 LEU 20 2HD2 LEU 20 2.742 -3.790 4.354 170 H SER 21 H SER 21 8.956 -3.814 4.605 171 HA SER 21 HA SER 21 9.241 -1.477 6.316 172 HG SER 21 HG SER 21 10.734 -3.522 3.754 173 HB2 SER 21 2HB SER 21 11.502 -1.321 5.391 174 HB3 SER 21 1HB SER 21 11.187 -2.969 5.933 175 H ARG 22 H ARG 22 10.191 0.521 5.120 176 HA ARG 22 HA ARG 22 8.185 1.440 3.326 177 HE ARG 22 HE ARG 22 9.962 5.818 4.280 178 HB2 ARG 22 2HB ARG 22 10.835 2.689 4.064 179 HB3 ARG 22 1HB ARG 22 9.512 3.511 3.246 180 HG2 ARG 22 2HG ARG 22 8.101 3.238 5.193 181 HG3 ARG 22 1HG ARG 22 9.372 2.328 6.013 182 HD2 ARG 22 2HD ARG 22 9.402 4.567 6.845 183 HD3 ARG 22 1HD ARG 22 10.831 4.339 5.838 184 HH11 ARG 22 1HH1 ARG 22 7.615 5.178 6.805 185 HH12 ARG 22 2HH1 ARG 22 6.635 6.558 6.421 186 HH21 ARG 22 1HH2 ARG 22 8.692 7.658 3.795 187 HH22 ARG 22 2HH2 ARG 22 7.252 7.984 4.720 188 H ALA 23 H ALA 23 10.989 -0.363 2.869 189 HA ALA 23 HA ALA 23 11.285 0.467 0.078 190 HB1 ALA 23 3HB ALA 23 12.937 -1.434 1.737 191 HB2 ALA 23 1HB ALA 23 13.337 0.240 1.358 192 HB3 ALA 23 2HB ALA 23 13.279 -0.965 0.074 193 H ASP 24 H ASP 24 9.486 -1.675 1.862 194 HA ASP 24 HA ASP 24 9.519 -3.854 -0.044 195 HB2 ASP 24 2HB ASP 24 8.062 -3.330 2.512 196 HB3 ASP 24 1HB ASP 24 7.418 -4.526 1.394 197 H LEU 25 H LEU 25 7.927 -0.877 0.324 198 HA LEU 25 HA LEU 25 5.502 -1.346 -0.982 199 HG LEU 25 HG LEU 25 6.207 0.540 1.248 200 HB2 LEU 25 2HB LEU 25 7.289 1.081 -0.911 201 HB3 LEU 25 1HB LEU 25 5.716 1.083 -1.683 202 HD11 LEU 25 1HD1 LEU 25 6.667 2.864 0.627 203 HD12 LEU 25 2HD1 LEU 25 5.208 2.733 1.609 204 HD13 LEU 25 3HD1 LEU 25 5.082 2.972 -0.133 205 HD21 LEU 25 3HD2 LEU 25 3.627 0.946 -0.258 206 HD22 LEU 25 1HD2 LEU 25 3.802 0.639 1.468 207 HD23 LEU 25 2HD2 LEU 25 4.237 -0.609 0.302 208 HA PRO 26 HA PRO 26 6.705 -2.386 -5.108 209 HB2 PRO 26 2HB PRO 26 4.468 -1.469 -6.410 210 HB3 PRO 26 1HB PRO 26 4.543 -3.003 -5.542 211 HG2 PRO 26 2HG PRO 26 3.443 -0.373 -4.651 212 HG3 PRO 26 1HG PRO 26 2.789 -2.003 -4.409 213 HD2 PRO 26 2HD PRO 26 4.096 -0.689 -2.461 214 HD3 PRO 26 1HD PRO 26 4.217 -2.452 -2.648 215 HA PRO 27 HA PRO 27 8.644 1.223 -6.705 216 HB2 PRO 27 2HB PRO 27 8.851 0.466 -9.339 217 HB3 PRO 27 1HB PRO 27 9.940 -0.077 -8.060 218 HG2 PRO 27 2HG PRO 27 7.576 -1.465 -9.254 219 HG3 PRO 27 1HG PRO 27 9.159 -2.129 -8.802 220 HD2 PRO 27 2HD PRO 27 6.999 -2.472 -7.248 221 HD3 PRO 27 1HD PRO 27 8.613 -2.222 -6.548 222 H LEU 28 H LEU 28 8.287 3.058 -7.998 223 HA LEU 28 HA LEU 28 5.534 3.701 -8.371 224 HG LEU 28 HG LEU 28 7.996 4.942 -6.808 225 HB2 LEU 28 2HB LEU 28 7.996 5.215 -9.248 226 HB3 LEU 28 1HB LEU 28 6.369 5.868 -9.180 227 HD11 LEU 28 1HD1 LEU 28 8.870 6.991 -7.741 228 HD12 LEU 28 2HD1 LEU 28 8.040 7.325 -6.222 229 HD13 LEU 28 3HD1 LEU 28 7.256 7.705 -7.755 230 HD21 LEU 28 3HD2 LEU 28 5.609 4.588 -6.457 231 HD22 LEU 28 1HD2 LEU 28 5.281 6.258 -6.924 232 HD23 LEU 28 2HD2 LEU 28 6.200 5.914 -5.458 233 H ASP 29 H ASP 29 7.701 2.056 -10.301 234 HA ASP 29 HA ASP 29 6.750 3.012 -12.857 235 HB2 ASP 29 2HB ASP 29 8.475 0.605 -12.238 236 HB3 ASP 29 1HB ASP 29 8.212 1.312 -13.827 237 H THR 30 H THR 30 5.585 0.943 -10.530 238 HA THR 30 HA THR 30 4.455 -1.042 -12.274 239 HB THR 30 HB THR 30 3.922 -0.449 -9.352 240 HG1 THR 30 HG1 THR 30 5.895 -1.767 -10.684 241 HG21 THR 30 3HG2 THR 30 2.007 -1.573 -10.359 242 HG22 THR 30 1HG2 THR 30 2.883 -2.686 -9.309 243 HG23 THR 30 2HG2 THR 30 3.068 -2.793 -11.059 244 H ARG 31 H ARG 31 3.085 -0.124 -13.742 245 HA ARG 31 HA ARG 31 0.759 1.285 -12.642 246 HE ARG 31 HE ARG 31 -1.677 4.317 -14.304 247 HB2 ARG 31 2HB ARG 31 2.216 1.877 -14.870 248 HB3 ARG 31 1HB ARG 31 0.938 0.887 -15.564 249 HG2 ARG 31 2HG ARG 31 0.489 3.326 -13.852 250 HG3 ARG 31 1HG ARG 31 0.431 3.299 -15.614 251 HD2 ARG 31 2HD ARG 31 -1.451 1.819 -15.590 252 HD3 ARG 31 1HD ARG 31 -1.321 1.599 -13.847 253 HH11 ARG 31 1HH1 ARG 31 -3.441 1.350 -14.837 254 HH12 ARG 31 2HH1 ARG 31 -5.005 2.081 -14.662 255 HH21 ARG 31 1HH2 ARG 31 -3.737 5.299 -14.033 256 HH22 ARG 31 2HH2 ARG 31 -5.173 4.328 -14.179 257 H ARG 32 H ARG 32 1.792 -1.602 -14.351 258 HA ARG 32 HA ARG 32 -0.864 -2.687 -14.509 259 HE ARG 32 HE ARG 32 -1.797 -6.822 -16.246 260 HB2 ARG 32 2HB ARG 32 1.271 -3.274 -15.937 261 HB3 ARG 32 1HB ARG 32 1.601 -4.392 -14.623 262 HG2 ARG 32 2HG ARG 32 -0.959 -4.351 -16.204 263 HG3 ARG 32 1HG ARG 32 0.413 -5.399 -16.560 264 HD2 ARG 32 2HD ARG 32 0.172 -6.564 -14.517 265 HD3 ARG 32 1HD ARG 32 -0.941 -5.359 -13.876 266 HH11 ARG 32 1HH1 ARG 32 -1.944 -6.400 -12.786 267 HH12 ARG 32 2HH1 ARG 32 -3.417 -7.296 -12.595 268 HH21 ARG 32 1HH2 ARG 32 -3.756 -8.009 -16.012 269 HH22 ARG 32 2HH2 ARG 32 -4.456 -8.202 -14.430 270 H TRP 33 H TRP 33 -1.514 -2.329 -12.372 271 HA TRP 33 HA TRP 33 -0.096 -3.401 -10.133 272 HD1 TRP 33 HD1 TRP 33 -1.896 0.160 -11.230 273 HE1 TRP 33 HE1 TRP 33 -0.462 1.951 -10.058 274 HE3 TRP 33 HE3 TRP 33 -0.297 -2.575 -7.221 275 HZ2 TRP 33 HZ2 TRP 33 1.121 2.172 -7.742 276 HZ3 TRP 33 HZ3 TRP 33 1.168 -1.497 -5.570 277 HH2 TRP 33 HH2 TRP 33 1.865 0.829 -5.830 278 HB2 TRP 33 2HB TRP 33 -2.825 -2.182 -10.461 279 HB3 TRP 33 1HB TRP 33 -2.265 -2.817 -8.919 280 H VAL 34 H VAL 34 -0.002 -5.461 -9.615 281 HA VAL 34 HA VAL 34 -2.309 -7.195 -10.062 282 HB VAL 34 HB VAL 34 -0.834 -9.035 -9.281 283 HG11 VAL 34 1HG1 VAL 34 0.305 -7.361 -11.514 284 HG12 VAL 34 2HG1 VAL 34 -1.003 -8.536 -11.654 285 HG13 VAL 34 3HG1 VAL 34 0.625 -9.075 -11.244 286 HG21 VAL 34 3HG2 VAL 34 1.572 -8.620 -9.032 287 HG22 VAL 34 1HG2 VAL 34 0.629 -7.767 -7.809 288 HG23 VAL 34 2HG2 VAL 34 1.283 -6.886 -9.190 289 H ALA 35 H ALA 35 -2.924 -8.641 -8.202 290 HA ALA 35 HA ALA 35 -3.924 -7.073 -6.142 291 HB1 ALA 35 3HB ALA 35 -4.915 -9.196 -6.820 292 HB2 ALA 35 1HB ALA 35 -4.625 -9.146 -5.081 293 HB3 ALA 35 2HB ALA 35 -3.541 -10.060 -6.130 294 H SER 36 H SER 36 -1.041 -9.148 -6.140 295 HA SER 36 HA SER 36 -0.521 -8.982 -3.385 296 HG SER 36 HG SER 36 2.276 -9.446 -6.183 297 HB2 SER 36 2HB SER 36 1.860 -9.568 -4.137 298 HB3 SER 36 1HB SER 36 0.577 -10.690 -4.577 299 H ARG 37 H ARG 37 0.631 -6.956 -6.074 300 HA ARG 37 HA ARG 37 2.277 -5.316 -4.419 301 HE ARG 37 HE ARG 37 4.713 -6.950 -8.478 302 HB2 ARG 37 2HB ARG 37 1.146 -4.775 -7.171 303 HB3 ARG 37 1HB ARG 37 2.367 -3.792 -6.373 304 HG2 ARG 37 2HG ARG 37 3.816 -5.832 -6.267 305 HG3 ARG 37 1HG ARG 37 2.622 -6.649 -7.274 306 HD2 ARG 37 2HD ARG 37 2.940 -4.854 -8.977 307 HD3 ARG 37 1HD ARG 37 4.256 -4.218 -7.993 308 HH11 ARG 37 1HH1 ARG 37 4.830 -3.846 -10.110 309 HH12 ARG 37 2HH1 ARG 37 5.919 -4.403 -11.342 310 HH21 ARG 37 1HH2 ARG 37 6.140 -7.667 -10.099 311 HH22 ARG 37 2HH2 ARG 37 6.653 -6.567 -11.344 312 H LYS 38 H LYS 38 -1.057 -5.108 -5.555 313 HA LYS 38 HA LYS 38 -1.647 -2.552 -4.519 314 HB2 LYS 38 2HB LYS 38 -3.409 -4.967 -4.953 315 HB3 LYS 38 1HB LYS 38 -4.027 -3.415 -4.414 316 HG2 LYS 38 2HG LYS 38 -2.973 -2.442 -6.513 317 HG3 LYS 38 1HG LYS 38 -2.785 -4.112 -7.051 318 HD2 LYS 38 2HD LYS 38 -5.167 -4.475 -6.912 319 HD3 LYS 38 1HD LYS 38 -5.406 -2.871 -6.216 320 HE2 LYS 38 2HE LYS 38 -4.430 -1.924 -8.330 321 HE3 LYS 38 1HE LYS 38 -4.484 -3.553 -9.001 322 HZ1 LYS 38 3HZ LYS 38 -6.413 -2.318 -9.677 323 HZ2 LYS 38 1HZ LYS 38 -6.811 -1.961 -8.068 324 HZ3 LYS 38 2HZ LYS 38 -6.895 -3.560 -8.623 325 H ALA 39 H ALA 39 -1.844 -5.780 -3.101 326 HA ALA 39 HA ALA 39 -2.920 -5.107 -0.621 327 HB1 ALA 39 3HB ALA 39 -1.997 -7.222 0.168 328 HB2 ALA 39 1HB ALA 39 -0.961 -7.313 -1.256 329 HB3 ALA 39 2HB ALA 39 -2.713 -7.407 -1.431 330 H ALA 40 H ALA 40 0.453 -5.186 -1.695 331 HA ALA 40 HA ALA 40 1.688 -4.724 0.758 332 HB1 ALA 40 3HB ALA 40 2.581 -3.766 -1.958 333 HB2 ALA 40 1HB ALA 40 2.886 -5.366 -1.284 334 HB3 ALA 40 2HB ALA 40 3.597 -3.939 -0.528 335 H VAL 41 H VAL 41 0.406 -2.430 -1.613 336 HA VAL 41 HA VAL 41 1.271 -0.080 -0.300 337 HB VAL 41 HB VAL 41 -1.065 -0.441 -2.179 338 HG11 VAL 41 1HG1 VAL 41 -0.822 1.966 -2.600 339 HG12 VAL 41 2HG1 VAL 41 0.404 2.052 -1.336 340 HG13 VAL 41 3HG1 VAL 41 -1.256 1.630 -0.925 341 HG21 VAL 41 3HG2 VAL 41 1.769 0.411 -2.724 342 HG22 VAL 41 1HG2 VAL 41 0.466 0.331 -3.908 343 HG23 VAL 41 2HG2 VAL 41 1.059 -1.145 -3.149 344 H VAL 42 H VAL 42 -1.880 -1.743 -0.309 345 HA VAL 42 HA VAL 42 -3.083 0.181 1.391 346 HB VAL 42 HB VAL 42 -4.377 -1.214 -0.179 347 HG11 VAL 42 1HG1 VAL 42 -4.982 -3.503 0.452 348 HG12 VAL 42 2HG1 VAL 42 -3.820 -3.432 1.776 349 HG13 VAL 42 3HG1 VAL 42 -3.262 -3.339 0.106 350 HG21 VAL 42 3HG2 VAL 42 -5.466 -0.076 1.689 351 HG22 VAL 42 1HG2 VAL 42 -5.224 -1.504 2.695 352 HG23 VAL 42 2HG2 VAL 42 -6.277 -1.587 1.283 353 H LYS 43 H LYS 43 -1.511 -2.942 1.998 354 HA LYS 43 HA LYS 43 -2.212 -3.162 4.717 355 HB2 LYS 43 2HB LYS 43 0.187 -4.171 3.191 356 HB3 LYS 43 1HB LYS 43 -0.071 -4.523 4.894 357 HG2 LYS 43 2HG LYS 43 -2.179 -5.635 4.341 358 HG3 LYS 43 1HG LYS 43 -1.907 -5.294 2.631 359 HD2 LYS 43 2HD LYS 43 0.167 -6.610 2.713 360 HD3 LYS 43 1HD LYS 43 -0.131 -6.961 4.414 361 HE2 LYS 43 2HE LYS 43 -2.212 -8.109 3.801 362 HE3 LYS 43 1HE LYS 43 -1.895 -7.766 2.103 363 HZ1 LYS 43 3HZ LYS 43 0.214 -9.038 2.365 364 HZ2 LYS 43 1HZ LYS 43 -1.189 -9.971 2.542 365 HZ3 LYS 43 2HZ LYS 43 -0.305 -9.510 3.910 366 H ALA 44 H ALA 44 0.289 -1.369 3.054 367 HA ALA 44 HA ALA 44 1.806 -0.596 5.295 368 HB1 ALA 44 3HB ALA 44 2.672 1.191 3.878 369 HB2 ALA 44 1HB ALA 44 1.390 0.894 2.702 370 HB3 ALA 44 2HB ALA 44 2.616 -0.339 3.004 371 H VAL 45 H VAL 45 -0.968 0.920 3.693 372 HA VAL 45 HA VAL 45 -1.051 3.208 5.369 373 HB VAL 45 HB VAL 45 -3.288 1.938 3.777 374 HG11 VAL 45 1HG1 VAL 45 -3.040 4.713 4.939 375 HG12 VAL 45 2HG1 VAL 45 -4.154 3.450 5.467 376 HG13 VAL 45 3HG1 VAL 45 -4.327 4.163 3.864 377 HG21 VAL 45 3HG2 VAL 45 -2.738 3.632 2.079 378 HG22 VAL 45 1HG2 VAL 45 -1.402 2.517 2.367 379 HG23 VAL 45 2HG2 VAL 45 -1.358 4.141 3.053 380 H ILE 46 H ILE 46 -2.675 0.074 5.466 381 HA ILE 46 HA ILE 46 -4.378 0.662 7.642 382 HB ILE 46 HB ILE 46 -3.420 -1.986 6.547 383 HG12 ILE 46 2HG1 ILE 46 -6.015 -0.453 6.230 384 HG13 ILE 46 1HG1 ILE 46 -4.760 -0.615 5.008 385 HG21 ILE 46 1HG2 ILE 46 -5.609 -1.456 8.562 386 HG22 ILE 46 2HG2 ILE 46 -4.081 -2.279 8.875 387 HG23 ILE 46 3HG2 ILE 46 -5.271 -3.011 7.798 388 HD11 ILE 46 3HD1 ILE 46 -5.178 -3.016 4.898 389 HD12 ILE 46 1HD1 ILE 46 -6.636 -2.082 4.556 390 HD13 ILE 46 2HD1 ILE 46 -6.430 -2.855 6.130 391 H HIS 47 H HIS 47 -1.129 -0.756 7.484 392 HA HIS 47 HA HIS 47 -1.118 -1.248 10.336 393 HD1 HIS 47 HD1 HIS 47 -0.851 -3.593 10.865 394 HD2 HIS 47 HD2 HIS 47 0.589 -3.878 6.971 395 HE1 HIS 47 HE1 HIS 47 -1.581 -5.851 10.030 396 HE2 HIS 47 HE2 HIS 47 -0.533 -6.064 7.754 397 HB2 HIS 47 2HB HIS 47 1.029 -1.556 8.245 398 HB3 HIS 47 1HB HIS 47 1.290 -1.883 9.955 399 H GLY 48 H GLY 48 -0.393 1.382 8.311 400 HA2 GLY 48 2HA GLY 48 -0.085 3.555 9.181 401 HA3 GLY 48 1HA GLY 48 0.517 2.846 10.669 402 H LEU 49 H LEU 49 1.758 1.681 7.662 403 HA LEU 49 HA LEU 49 4.408 2.618 8.257 404 HG LEU 49 HG LEU 49 5.491 2.455 5.390 405 HB2 LEU 49 2HB LEU 49 4.017 0.470 7.118 406 HB3 LEU 49 1HB LEU 49 3.277 1.315 5.774 407 HD11 LEU 49 1HD1 LEU 49 7.476 1.384 6.326 408 HD12 LEU 49 2HD1 LEU 49 6.446 0.362 7.333 409 HD13 LEU 49 3HD1 LEU 49 6.471 2.109 7.582 410 HD21 LEU 49 3HD2 LEU 49 5.392 -0.548 5.172 411 HD22 LEU 49 1HD2 LEU 49 6.487 0.511 4.281 412 HD23 LEU 49 2HD2 LEU 49 4.747 0.606 4.005 413 H ILE 50 H ILE 50 1.952 3.293 5.828 414 HA ILE 50 HA ILE 50 3.043 6.002 5.531 415 HB ILE 50 HB ILE 50 2.491 6.026 3.160 416 HG12 ILE 50 2HG1 ILE 50 1.920 3.065 3.354 417 HG13 ILE 50 1HG1 ILE 50 0.657 4.292 3.391 418 HG21 ILE 50 1HG2 ILE 50 4.256 3.674 3.842 419 HG22 ILE 50 2HG2 ILE 50 4.755 5.364 3.786 420 HG23 ILE 50 3HG2 ILE 50 4.242 4.547 2.310 421 HD11 ILE 50 3HD1 ILE 50 0.906 3.334 1.175 422 HD12 ILE 50 1HD1 ILE 50 2.596 3.836 1.135 423 HD13 ILE 50 2HD1 ILE 50 1.315 5.048 1.177 424 H THR 51 H THR 51 1.308 7.466 4.546 425 HA THR 51 HA THR 51 -1.249 6.784 5.773 426 HB THR 51 HB THR 51 -0.420 8.943 6.429 427 HG1 THR 51 HG1 THR 51 -2.705 8.765 5.994 428 HG21 THR 51 3HG2 THR 51 0.049 10.742 4.889 429 HG22 THR 51 1HG2 THR 51 -0.387 9.725 3.516 430 HG23 THR 51 2HG2 THR 51 1.042 9.344 4.475 431 H GLU 52 H GLU 52 -3.232 7.217 4.615 432 HA GLU 52 HA GLU 52 -3.387 5.906 2.163 433 HB2 GLU 52 2HB GLU 52 -5.234 6.274 3.829 434 HB3 GLU 52 1HB GLU 52 -5.359 7.923 3.237 435 HG2 GLU 52 2HG GLU 52 -5.942 7.092 1.025 436 HG3 GLU 52 1HG GLU 52 -5.793 5.433 1.606 437 H ARG 53 H ARG 53 -3.237 9.351 2.907 438 HA ARG 53 HA ARG 53 -3.667 10.226 0.237 439 HE ARG 53 HE ARG 53 -6.995 11.278 2.595 440 HB2 ARG 53 2HB ARG 53 -2.431 11.655 2.596 441 HB3 ARG 53 1HB ARG 53 -2.890 12.428 1.081 442 HG2 ARG 53 2HG ARG 53 -4.756 11.012 2.978 443 HG3 ARG 53 1HG ARG 53 -4.586 12.760 2.801 444 HD2 ARG 53 2HD ARG 53 -5.568 12.769 0.697 445 HD3 ARG 53 1HD ARG 53 -5.245 11.058 0.429 446 HH11 ARG 53 1HH1 ARG 53 -7.004 12.025 -0.827 447 HH12 ARG 53 2HH1 ARG 53 -8.689 11.631 -1.038 448 HH21 ARG 53 1HH2 ARG 53 -9.184 10.709 2.317 449 HH22 ARG 53 2HH2 ARG 53 -9.928 10.847 0.744 450 H GLU 54 H GLU 54 -0.910 9.104 1.960 451 HA GLU 54 HA GLU 54 1.112 10.101 0.224 452 HB2 GLU 54 2HB GLU 54 1.826 9.303 2.344 453 HB3 GLU 54 1HB GLU 54 0.952 7.793 2.162 454 HG2 GLU 54 2HG GLU 54 3.217 7.257 1.926 455 HG3 GLU 54 1HG GLU 54 2.550 7.231 0.297 456 H ALA 55 H ALA 55 -0.717 7.083 0.436 457 HA ALA 55 HA ALA 55 0.533 5.788 -1.741 458 HB1 ALA 55 3HB ALA 55 -1.316 4.208 -1.622 459 HB2 ALA 55 1HB ALA 55 -2.224 5.329 -0.606 460 HB3 ALA 55 2HB ALA 55 -0.733 4.604 -0.005 461 H LEU 56 H LEU 56 -2.478 7.645 -1.502 462 HA LEU 56 HA LEU 56 -3.297 7.315 -4.175 463 HG LEU 56 HG LEU 56 -4.547 7.491 -1.303 464 HB2 LEU 56 2HB LEU 56 -3.856 9.651 -2.343 465 HB3 LEU 56 1HB LEU 56 -4.769 9.211 -3.772 466 HD11 LEU 56 1HD1 LEU 56 -6.776 9.301 -2.215 467 HD12 LEU 56 2HD1 LEU 56 -5.736 9.550 -0.812 468 HD13 LEU 56 3HD1 LEU 56 -6.848 8.181 -0.854 469 HD21 LEU 56 3HD2 LEU 56 -4.979 6.207 -3.311 470 HD22 LEU 56 1HD2 LEU 56 -6.298 7.295 -3.747 471 HD23 LEU 56 2HD2 LEU 56 -6.430 6.280 -2.310 472 H ASP 57 H ASP 57 -1.058 9.510 -2.668 473 HA ASP 57 HA ASP 57 -0.894 11.280 -4.924 474 HB2 ASP 57 2HB ASP 57 -0.490 12.155 -2.709 475 HB3 ASP 57 1HB ASP 57 0.804 10.993 -2.442 476 H ARG 58 H ARG 58 1.423 9.035 -3.405 477 HA ARG 58 HA ARG 58 3.409 9.430 -5.370 478 HE ARG 58 HE ARG 58 4.842 4.643 -3.062 479 HB2 ARG 58 2HB ARG 58 4.568 7.537 -4.347 480 HB3 ARG 58 1HB ARG 58 3.951 8.644 -3.129 481 HG2 ARG 58 2HG ARG 58 2.035 7.118 -2.780 482 HG3 ARG 58 1HG ARG 58 2.771 5.991 -3.921 483 HD2 ARG 58 2HD ARG 58 4.127 6.984 -1.419 484 HD3 ARG 58 1HD ARG 58 3.199 5.488 -1.504 485 HH11 ARG 58 1HH1 ARG 58 5.712 7.555 -1.325 486 HH12 ARG 58 2HH1 ARG 58 7.425 7.319 -1.525 487 HH21 ARG 58 1HH2 ARG 58 7.084 4.325 -3.334 488 HH22 ARG 58 2HH2 ARG 58 8.209 5.482 -2.691 489 H TYR 59 H TYR 59 0.739 7.162 -5.192 490 HA TYR 59 HA TYR 59 1.792 5.810 -7.580 491 HD1 TYR 59 HD2 TYR 59 2.866 3.797 -7.075 492 HD2 TYR 59 HD1 TYR 59 0.318 4.154 -3.684 493 HE1 TYR 59 HE2 TYR 59 4.577 2.711 -5.678 494 HE2 TYR 59 HE1 TYR 59 2.026 3.075 -2.284 495 HH TYR 59 HH TYR 59 3.981 1.498 -2.645 496 HB2 TYR 59 2HB TYR 59 -0.426 4.954 -5.710 497 HB3 TYR 59 1HB TYR 59 0.131 4.045 -7.111 498 H SER 60 H SER 60 -0.058 8.368 -6.928 499 HA SER 60 HA SER 60 -1.654 9.552 -8.029 500 HG SER 60 HG SER 60 0.591 9.532 -8.959 501 HB2 SER 60 2HB SER 60 -0.921 7.819 -10.401 502 HB3 SER 60 1HB SER 60 -1.609 9.444 -10.439 503 H LEU 61 H LEU 61 -2.837 7.813 -6.495 504 HA LEU 61 HA LEU 61 -4.755 6.281 -8.117 505 HG LEU 61 HG LEU 61 -2.289 5.141 -6.635 506 HB2 LEU 61 2HB LEU 61 -4.094 6.057 -5.177 507 HB3 LEU 61 1HB LEU 61 -5.243 5.054 -6.042 508 HD11 LEU 61 1HD1 LEU 61 -3.891 3.169 -5.016 509 HD12 LEU 61 2HD1 LEU 61 -2.641 4.259 -4.414 510 HD13 LEU 61 3HD1 LEU 61 -2.214 2.951 -5.517 511 HD21 LEU 61 3HD2 LEU 61 -4.474 3.275 -7.550 512 HD22 LEU 61 1HD2 LEU 61 -2.755 3.088 -7.895 513 HD23 LEU 61 2HD2 LEU 61 -3.639 4.470 -8.540 514 H SER 62 H SER 62 -6.954 6.518 -7.764 515 HA SER 62 HA SER 62 -7.765 8.981 -6.430 516 HG SER 62 HG SER 62 -9.074 8.244 -9.778 517 HB2 SER 62 2HB SER 62 -9.467 7.016 -7.984 518 HB3 SER 62 1HB SER 62 -9.883 8.674 -7.553 519 H GLU 63 H GLU 63 -9.675 8.930 -4.999 520 HA GLU 63 HA GLU 63 -9.306 7.165 -2.859 521 HB2 GLU 63 2HB GLU 63 -10.341 9.521 -2.922 522 HB3 GLU 63 1HB GLU 63 -11.832 8.711 -3.388 523 HG2 GLU 63 2HG GLU 63 -11.812 7.432 -1.345 524 HG3 GLU 63 1HG GLU 63 -10.272 8.159 -0.892 525 H GLU 64 H GLU 64 -11.559 7.194 -5.555 526 HA GLU 64 HA GLU 64 -13.252 5.100 -4.824 527 HB2 GLU 64 2HB GLU 64 -13.668 4.857 -7.254 528 HB3 GLU 64 1HB GLU 64 -13.725 6.532 -6.721 529 HG2 GLU 64 2HG GLU 64 -11.458 6.880 -7.574 530 HG3 GLU 64 1HG GLU 64 -11.401 5.202 -8.105 531 H GLU 65 H GLU 65 -10.044 5.045 -6.229 532 HA GLU 65 HA GLU 65 -10.066 2.278 -6.937 533 HB2 GLU 65 2HB GLU 65 -8.648 3.947 -8.073 534 HB3 GLU 65 1HB GLU 65 -7.758 4.203 -6.584 535 HG2 GLU 65 2HG GLU 65 -6.462 2.819 -8.038 536 HG3 GLU 65 1HG GLU 65 -7.002 1.853 -6.671 537 H PHE 66 H PHE 66 -8.486 4.148 -4.339 538 HA PHE 66 HA PHE 66 -7.291 1.941 -3.078 539 HD1 PHE 66 HD1 PHE 66 -4.809 3.001 -1.986 540 HD2 PHE 66 HD2 PHE 66 -8.212 3.622 0.490 541 HE1 PHE 66 HE1 PHE 66 -3.524 2.235 -0.033 542 HE2 PHE 66 HE2 PHE 66 -6.930 2.862 2.448 543 HZ PHE 66 HZ PHE 66 -4.586 2.166 2.187 544 HB2 PHE 66 2HB PHE 66 -6.705 4.364 -2.725 545 HB3 PHE 66 1HB PHE 66 -8.149 4.502 -1.728 546 H ALA 67 H ALA 67 -10.498 3.333 -2.802 547 HA ALA 67 HA ALA 67 -11.378 2.047 -0.480 548 HB1 ALA 67 3HB ALA 67 -12.993 2.667 -2.955 549 HB2 ALA 67 1HB ALA 67 -12.647 3.805 -1.651 550 HB3 ALA 67 2HB ALA 67 -13.625 2.373 -1.335 551 H LEU 68 H LEU 68 -11.275 0.961 -3.832 552 HA LEU 68 HA LEU 68 -12.504 -1.553 -3.402 553 HG LEU 68 HG LEU 68 -12.523 0.710 -5.620 554 HB2 LEU 68 2HB LEU 68 -10.530 -0.756 -5.546 555 HB3 LEU 68 1HB LEU 68 -11.579 -2.159 -5.585 556 HD11 LEU 68 1HD1 LEU 68 -12.378 -1.338 -7.827 557 HD12 LEU 68 2HD1 LEU 68 -11.375 0.102 -7.681 558 HD13 LEU 68 3HD1 LEU 68 -13.110 0.260 -7.952 559 HD21 LEU 68 3HD2 LEU 68 -14.703 -0.269 -6.152 560 HD22 LEU 68 1HD2 LEU 68 -14.124 -0.786 -4.568 561 HD23 LEU 68 2HD2 LEU 68 -14.023 -1.883 -5.946 562 H TRP 69 H TRP 69 -9.132 -0.478 -3.545 563 HA TRP 69 HA TRP 69 -7.815 -2.902 -3.295 564 HD1 TRP 69 HD1 TRP 69 -8.099 -0.840 -5.220 565 HE1 TRP 69 HE1 TRP 69 -6.534 -0.146 -7.136 566 HE3 TRP 69 HE3 TRP 69 -3.715 -0.594 -2.609 567 HZ2 TRP 69 HZ2 TRP 69 -3.780 0.412 -7.490 568 HZ3 TRP 69 HZ3 TRP 69 -1.662 0.021 -3.810 569 HH2 TRP 69 HH2 TRP 69 -1.694 0.510 -6.198 570 HB2 TRP 69 2HB TRP 69 -7.077 -0.205 -2.147 571 HB3 TRP 69 1HB TRP 69 -6.002 -1.595 -2.113 572 H ARG 70 H ARG 70 -8.776 -0.743 -0.629 573 HA ARG 70 HA ARG 70 -7.828 -2.478 1.386 574 HE ARG 70 HE ARG 70 -9.044 1.441 3.875 575 HB2 ARG 70 2HB ARG 70 -8.943 -1.020 2.964 576 HB3 ARG 70 1HB ARG 70 -8.152 -0.057 1.727 577 HG2 ARG 70 2HG ARG 70 -10.451 -0.014 0.582 578 HG3 ARG 70 1HG ARG 70 -11.075 -0.553 2.142 579 HD2 ARG 70 2HD ARG 70 -9.470 1.943 1.628 580 HD3 ARG 70 1HD ARG 70 -11.201 1.872 1.942 581 HH11 ARG 70 1HH1 ARG 70 -12.480 1.667 3.207 582 HH12 ARG 70 2HH1 ARG 70 -12.905 1.960 4.869 583 HH21 ARG 70 1HH2 ARG 70 -9.600 1.847 6.037 584 HH22 ARG 70 2HH2 ARG 70 -11.268 2.058 6.482 585 H SER 71 H SER 71 -10.903 -2.283 -0.267 586 HA SER 71 HA SER 71 -12.310 -3.892 1.644 587 HG SER 71 HG SER 71 -12.961 -1.342 -0.179 588 HB2 SER 71 2HB SER 71 -13.021 -3.264 -1.233 589 HB3 SER 71 1HB SER 71 -14.112 -3.918 -0.011 590 H ALA 72 H ALA 72 -10.444 -4.523 -1.259 591 HA ALA 72 HA ALA 72 -11.287 -7.283 -1.412 592 HB1 ALA 72 3HB ALA 72 -10.669 -6.037 -3.433 593 HB2 ALA 72 1HB ALA 72 -9.672 -7.476 -3.221 594 HB3 ALA 72 2HB ALA 72 -9.020 -5.885 -2.830 595 H VAL 73 H VAL 73 -8.376 -5.547 -0.357 596 HA VAL 73 HA VAL 73 -6.923 -7.948 0.177 597 HB VAL 73 HB VAL 73 -6.357 -5.120 1.079 598 HG11 VAL 73 1HG1 VAL 73 -4.568 -7.554 1.034 599 HG12 VAL 73 2HG1 VAL 73 -5.197 -6.753 2.474 600 HG13 VAL 73 3HG1 VAL 73 -4.055 -5.911 1.424 601 HG21 VAL 73 3HG2 VAL 73 -6.437 -5.363 -1.348 602 HG22 VAL 73 1HG2 VAL 73 -5.299 -6.707 -1.258 603 HG23 VAL 73 2HG2 VAL 73 -4.786 -5.085 -0.795 604 H ALA 74 H ALA 74 -8.834 -5.739 2.185 605 HA ALA 74 HA ALA 74 -8.112 -6.945 4.658 606 HB1 ALA 74 3HB ALA 74 -10.610 -5.396 3.991 607 HB2 ALA 74 1HB ALA 74 -9.080 -4.697 4.521 608 HB3 ALA 74 2HB ALA 74 -9.994 -5.744 5.607 609 H ALA 75 H ALA 75 -10.542 -7.616 2.243 610 HA ALA 75 HA ALA 75 -11.945 -9.560 3.823 611 HB1 ALA 75 3HB ALA 75 -13.219 -9.993 1.810 612 HB2 ALA 75 1HB ALA 75 -12.048 -9.089 0.846 613 HB3 ALA 75 2HB ALA 75 -13.041 -8.253 2.040 614 H HIS 76 H HIS 76 -9.130 -9.535 1.882 615 HA HIS 76 HA HIS 76 -9.028 -12.257 1.149 616 HD1 HIS 76 HD1 HIS 76 -6.604 -12.490 -1.280 617 HD2 HIS 76 HD2 HIS 76 -5.082 -12.371 2.597 618 HE1 HIS 76 HE1 HIS 76 -4.706 -14.145 -1.234 619 HE2 HIS 76 HE2 HIS 76 -3.899 -14.160 1.155 620 HB2 HIS 76 2HB HIS 76 -7.575 -10.610 0.097 621 HB3 HIS 76 1HB HIS 76 -6.810 -10.254 1.640 622 H GLY 77 H GLY 77 -8.572 -14.037 2.336 623 HA2 GLY 77 2HA GLY 77 -7.888 -15.352 4.101 624 HA3 GLY 77 1HA GLY 77 -6.969 -13.977 4.702 625 H GLU 78 H GLU 78 -10.396 -14.030 4.038 626 HA GLU 78 HA GLU 78 -11.223 -12.741 6.334 627 HB2 GLU 78 2HB GLU 78 -13.482 -13.724 5.781 628 HB3 GLU 78 1HB GLU 78 -12.688 -12.865 4.466 629 HG2 GLU 78 2HG GLU 78 -12.117 -14.866 3.365 630 HG3 GLU 78 1HG GLU 78 -12.481 -15.842 4.785 631 H LYS 79 H LYS 79 -10.482 -16.112 5.903 632 HA LYS 79 HA LYS 79 -12.028 -16.874 8.259 633 HB2 LYS 79 2HB LYS 79 -10.475 -18.692 6.422 634 HB3 LYS 79 1HB LYS 79 -11.768 -19.131 7.531 635 HG2 LYS 79 2HG LYS 79 -13.329 -17.766 6.161 636 HG3 LYS 79 1HG LYS 79 -12.016 -17.513 5.008 637 HD2 LYS 79 2HD LYS 79 -11.845 -20.003 4.797 638 HD3 LYS 79 1HD LYS 79 -13.308 -20.126 5.773 639 HE2 LYS 79 2HE LYS 79 -13.050 -18.706 3.126 640 HE3 LYS 79 1HE LYS 79 -13.819 -20.266 3.391 641 HZ1 LYS 79 3HZ LYS 79 -15.366 -19.054 4.951 642 HZ2 LYS 79 1HZ LYS 79 -15.537 -18.693 3.301 643 HZ3 LYS 79 2HZ LYS 79 -14.738 -17.603 4.324 644 H ALA 80 H ALA 80 -9.151 -15.564 7.837 645 HA ALA 80 HA ALA 80 -7.842 -17.205 9.906 646 HB1 ALA 80 3HB ALA 80 -5.753 -16.125 9.228 647 HB2 ALA 80 1HB ALA 80 -6.627 -15.182 8.020 648 HB3 ALA 80 2HB ALA 80 -6.522 -16.937 7.866 649 H LEU 81 H LEU 81 -8.140 -16.427 11.896 650 HA LEU 81 HA LEU 81 -8.412 -13.511 12.189 651 HG LEU 81 HG LEU 81 -10.844 -13.473 12.225 652 HB2 LEU 81 2HB LEU 81 -9.637 -15.732 13.814 653 HB3 LEU 81 1HB LEU 81 -9.582 -14.074 14.374 654 HD11 LEU 81 1HD1 LEU 81 -11.345 -16.447 12.254 655 HD12 LEU 81 2HD1 LEU 81 -10.483 -15.545 11.007 656 HD13 LEU 81 3HD1 LEU 81 -12.206 -15.269 11.263 657 HD21 LEU 81 3HD2 LEU 81 -11.877 -13.429 14.418 658 HD22 LEU 81 1HD2 LEU 81 -12.174 -15.165 14.335 659 HD23 LEU 81 2HD2 LEU 81 -13.004 -14.076 13.225 660 H LYS 82 H LYS 82 -5.973 -13.832 12.092 661 HA LYS 82 HA LYS 82 -4.738 -14.552 14.603 662 HB2 LYS 82 2HB LYS 82 -3.606 -14.807 12.367 663 HB3 LYS 82 1HB LYS 82 -3.555 -13.056 12.249 664 HG2 LYS 82 2HG LYS 82 -2.196 -13.003 14.318 665 HG3 LYS 82 1HG LYS 82 -2.171 -14.766 14.300 666 HD2 LYS 82 2HD LYS 82 -1.072 -14.721 12.110 667 HD3 LYS 82 1HD LYS 82 -1.096 -12.957 12.139 668 HE2 LYS 82 2HE LYS 82 0.271 -13.012 14.199 669 HE3 LYS 82 1HE LYS 82 0.354 -14.768 14.064 670 HZ1 LYS 82 3HZ LYS 82 1.431 -14.480 11.891 671 HZ2 LYS 82 1HZ LYS 82 2.334 -13.776 13.146 672 HZ3 LYS 82 2HZ LYS 82 1.415 -12.795 12.113 673 H VAL 83 H VAL 83 -3.444 -12.911 15.817 674 HA VAL 83 HA VAL 83 -5.008 -10.850 16.764 675 HB VAL 83 HB VAL 83 -3.094 -11.766 17.981 676 HG11 VAL 83 1HG1 VAL 83 -1.499 -11.964 16.168 677 HG12 VAL 83 2HG1 VAL 83 -0.819 -11.012 17.487 678 HG13 VAL 83 3HG1 VAL 83 -1.407 -10.208 16.032 679 HG21 VAL 83 3HG2 VAL 83 -2.943 -8.787 17.561 680 HG22 VAL 83 1HG2 VAL 83 -2.232 -9.663 18.917 681 HG23 VAL 83 2HG2 VAL 83 -3.982 -9.639 18.704 682 H THR 84 H THR 84 -2.861 -10.768 14.004 683 HA THR 84 HA THR 84 -3.003 -7.861 13.820 684 HB THR 84 HB THR 84 -1.699 -9.613 11.769 685 HG1 THR 84 HG1 THR 84 -0.388 -8.806 14.169 686 HG21 THR 84 3HG2 THR 84 -1.741 -7.205 11.378 687 HG22 THR 84 1HG2 THR 84 -0.093 -7.746 11.696 688 HG23 THR 84 2HG2 THR 84 -1.009 -6.921 12.957 689 H MET 85 H MET 85 -5.082 -10.240 13.031 690 HA MET 85 HA MET 85 -5.659 -9.359 10.304 691 HB2 MET 85 2HB MET 85 -6.645 -11.640 11.994 692 HB3 MET 85 1HB MET 85 -7.468 -11.187 10.511 693 HG2 MET 85 2HG MET 85 -4.552 -11.902 10.648 694 HG3 MET 85 1HG MET 85 -5.834 -13.060 10.300 695 HE1 MET 85 3HE MET 85 -4.269 -12.698 6.774 696 HE2 MET 85 1HE MET 85 -4.842 -13.814 8.015 697 HE3 MET 85 2HE MET 85 -3.442 -12.788 8.329 698 H ILE 86 H ILE 86 -6.803 -8.852 13.506 699 HA ILE 86 HA ILE 86 -9.546 -8.511 13.002 700 HB ILE 86 HB ILE 86 -7.838 -7.350 15.201 701 HG12 ILE 86 2HG1 ILE 86 -9.344 -9.114 16.468 702 HG13 ILE 86 1HG1 ILE 86 -9.462 -9.840 14.868 703 HG21 ILE 86 1HG2 ILE 86 -9.958 -6.927 16.392 704 HG22 ILE 86 2HG2 ILE 86 -10.838 -7.351 14.923 705 HG23 ILE 86 3HG2 ILE 86 -9.777 -5.944 14.939 706 HD11 ILE 86 3HD1 ILE 86 -6.878 -9.252 16.297 707 HD12 ILE 86 1HD1 ILE 86 -7.070 -10.100 14.763 708 HD13 ILE 86 2HD1 ILE 86 -7.684 -10.821 16.250 709 H GLN 87 H GLN 87 -6.860 -6.199 12.958 710 HA GLN 87 HA GLN 87 -8.339 -3.853 12.686 711 HB2 GLN 87 2HB GLN 87 -5.861 -4.031 13.070 712 HB3 GLN 87 1HB GLN 87 -5.683 -4.406 11.362 713 HG2 GLN 87 2HG GLN 87 -5.206 -2.067 11.819 714 HG3 GLN 87 1HG GLN 87 -6.610 -2.243 10.766 715 HE21 GLN 87 1HE2 GLN 87 -5.497 -1.352 13.934 716 HE22 GLN 87 2HE2 GLN 87 -6.958 -0.579 14.447 717 H LYS 88 H LYS 88 -7.496 -6.285 10.317 718 HA LYS 88 HA LYS 88 -8.156 -4.883 7.973 719 HB2 LYS 88 2HB LYS 88 -8.269 -7.831 8.623 720 HB3 LYS 88 1HB LYS 88 -8.560 -7.186 7.014 721 HG2 LYS 88 2HG LYS 88 -6.339 -6.407 6.820 722 HG3 LYS 88 1HG LYS 88 -6.025 -6.667 8.534 723 HD2 LYS 88 2HD LYS 88 -4.966 -8.393 7.179 724 HD3 LYS 88 1HD LYS 88 -6.210 -9.080 8.215 725 HE2 LYS 88 2HE LYS 88 -7.101 -8.288 5.521 726 HE3 LYS 88 1HE LYS 88 -5.948 -9.617 5.577 727 HZ1 LYS 88 3HZ LYS 88 -7.445 -10.743 7.158 728 HZ2 LYS 88 1HZ LYS 88 -8.173 -10.477 5.652 729 HZ3 LYS 88 2HZ LYS 88 -8.572 -9.495 6.968 730 H TYR 89 H TYR 89 -10.111 -6.576 10.329 731 HA TYR 89 HA TYR 89 -12.476 -6.435 8.634 732 HD1 TYR 89 HD2 TYR 89 -12.370 -8.595 7.851 733 HD2 TYR 89 HD1 TYR 89 -10.897 -9.403 11.758 734 HE1 TYR 89 HE2 TYR 89 -11.100 -10.504 6.969 735 HE2 TYR 89 HE1 TYR 89 -9.615 -11.314 10.888 736 HH TYR 89 HH TYR 89 -9.613 -12.824 8.964 737 HB2 TYR 89 2HB TYR 89 -12.232 -7.555 11.439 738 HB3 TYR 89 1HB TYR 89 -13.527 -7.855 10.277 739 H ARG 90 H ARG 90 -10.925 -4.508 10.875 740 HA ARG 90 HA ARG 90 -13.403 -3.268 11.815 741 HE ARG 90 HE ARG 90 -12.929 -6.371 14.254 742 HB2 ARG 90 2HB ARG 90 -10.538 -2.802 12.659 743 HB3 ARG 90 1HB ARG 90 -11.942 -2.016 13.370 744 HG2 ARG 90 2HG ARG 90 -11.366 -4.972 13.398 745 HG3 ARG 90 1HG ARG 90 -11.185 -3.861 14.755 746 HD2 ARG 90 2HD ARG 90 -13.466 -3.604 15.022 747 HD3 ARG 90 1HD ARG 90 -13.814 -4.078 13.360 748 HH11 ARG 90 1HH1 ARG 90 -14.943 -4.087 15.988 749 HH12 ARG 90 2HH1 ARG 90 -15.814 -5.323 16.852 750 HH21 ARG 90 1HH2 ARG 90 -14.056 -7.987 15.379 751 HH22 ARG 90 2HH2 ARG 90 -15.304 -7.548 16.512 752 H GLN 91 H GLN 91 -10.742 -2.733 9.644 753 HA GLN 91 HA GLN 91 -11.525 0.050 9.276 754 HB2 GLN 91 2HB GLN 91 -9.337 -1.542 7.928 755 HB3 GLN 91 1HB GLN 91 -9.660 0.165 7.652 756 HG2 GLN 91 2HG GLN 91 -9.350 0.351 10.231 757 HG3 GLN 91 1HG GLN 91 -8.497 -1.180 10.044 758 HE21 GLN 91 1HE2 GLN 91 -7.448 1.381 10.873 759 HE22 GLN 91 2HE2 GLN 91 -6.203 1.792 9.738 760 H LEU 92 H LEU 92 -11.940 -3.072 7.918 761 HA LEU 92 HA LEU 92 -13.204 -2.193 5.513 762 HG LEU 92 HG LEU 92 -13.464 -4.122 3.983 763 HB2 LEU 92 2HB LEU 92 -12.264 -4.543 6.152 764 HB3 LEU 92 1HB LEU 92 -13.825 -4.773 6.912 765 HD11 LEU 92 1HD1 LEU 92 -12.481 -6.297 4.506 766 HD12 LEU 92 2HD1 LEU 92 -13.964 -6.475 3.567 767 HD13 LEU 92 3HD1 LEU 92 -13.974 -6.786 5.304 768 HD21 LEU 92 3HD2 LEU 92 -15.785 -4.801 3.789 769 HD22 LEU 92 1HD2 LEU 92 -15.627 -3.479 4.947 770 HD23 LEU 92 2HD2 LEU 92 -15.850 -5.133 5.521 771 H HIS 93 H HIS 93 -14.423 -0.517 6.367 772 HA HIS 93 HA HIS 93 -17.097 -1.110 7.119 773 HD1 HIS 93 HD1 HIS 93 -17.023 1.842 10.296 774 HD2 HIS 93 HD2 HIS 93 -18.711 -1.880 9.502 775 HE1 HIS 93 HE1 HIS 93 -19.300 1.880 11.366 776 HE2 HIS 93 HE2 HIS 93 -20.232 -0.436 11.018 777 HB2 HIS 93 2HB HIS 93 -15.829 -1.432 9.299 778 HB3 HIS 93 1HB HIS 93 -15.413 0.274 9.226 779 H HIS 94 H HIS 94 -17.287 0.134 5.220 780 HA HIS 94 HA HIS 94 -17.145 1.856 3.775 781 HD1 HIS 94 HD1 HIS 94 -16.809 5.563 5.819 782 HD2 HIS 94 HD2 HIS 94 -18.968 2.784 8.041 783 HE1 HIS 94 HE1 HIS 94 -16.859 6.459 8.165 784 HE2 HIS 94 HE2 HIS 94 -18.130 4.745 9.507 785 HB2 HIS 94 2HB HIS 94 -18.250 3.861 4.409 786 HB3 HIS 94 1HB HIS 94 -19.019 2.550 5.283 787 H HIS 95 H HIS 95 -16.406 4.412 3.719 788 HA HIS 95 HA HIS 95 -13.557 4.299 4.453 789 HD1 HIS 95 HD1 HIS 95 -13.509 8.105 2.790 790 HD2 HIS 95 HD2 HIS 95 -11.214 4.692 2.149 791 HE1 HIS 95 HE1 HIS 95 -11.155 8.918 2.451 792 HE2 HIS 95 HE2 HIS 95 -9.762 6.841 2.143 793 HB2 HIS 95 2HB HIS 95 -14.022 4.487 2.024 794 HB3 HIS 95 1HB HIS 95 -14.898 5.983 2.320 Start of MODEL 4 1 HA MET 1 HA MET 1 16.826 24.048 8.508 2 H1 MET 1 1H MET 1 18.961 23.903 9.547 3 H2 MET 1 2H MET 1 19.150 24.140 7.877 4 H3 MET 1 3H MET 1 19.410 22.605 8.552 5 HB2 MET 1 2HB MET 1 17.526 23.267 6.273 6 HB3 MET 1 1HB MET 1 17.750 21.645 6.914 7 HG2 MET 1 2HG MET 1 15.337 21.595 7.483 8 HG3 MET 1 1HG MET 1 15.157 23.160 6.692 9 HE1 MET 1 3HE MET 1 13.398 20.660 5.940 10 HE2 MET 1 1HE MET 1 13.430 20.706 4.178 11 HE3 MET 1 2HE MET 1 13.258 22.201 5.098 12 H TYR 2 H TYR 2 15.197 23.111 9.660 13 HA TYR 2 HA TYR 2 15.942 20.979 11.492 14 HD1 TYR 2 HD2 TYR 2 15.126 21.156 14.154 15 HD2 TYR 2 HD1 TYR 2 11.657 21.075 11.694 16 HE1 TYR 2 HE2 TYR 2 14.021 19.667 15.770 17 HE2 TYR 2 HE1 TYR 2 10.541 19.589 13.303 18 HH TYR 2 HH TYR 2 11.625 19.110 16.413 19 HB2 TYR 2 2HB TYR 2 14.684 22.886 12.371 20 HB3 TYR 2 1HB TYR 2 13.392 22.593 11.211 21 H LEU 3 H LEU 3 14.940 18.937 11.542 22 HA LEU 3 HA LEU 3 14.084 17.952 9.004 23 HG LEU 3 HG LEU 3 14.647 14.535 10.280 24 HB2 LEU 3 2HB LEU 3 15.354 16.719 10.898 25 HB3 LEU 3 1HB LEU 3 13.770 16.470 11.599 26 HD11 LEU 3 1HD1 LEU 3 12.570 14.097 9.036 27 HD12 LEU 3 2HD1 LEU 3 12.090 15.776 9.281 28 HD13 LEU 3 3HD1 LEU 3 12.273 14.700 10.668 29 HD21 LEU 3 3HD2 LEU 3 14.258 16.404 7.948 30 HD22 LEU 3 1HD2 LEU 3 14.578 14.672 7.829 31 HD23 LEU 3 2HD2 LEU 3 15.789 15.748 8.527 32 H LYS 4 H LYS 4 12.274 19.272 8.576 33 HA LYS 4 HA LYS 4 9.886 18.665 10.166 34 HB2 LYS 4 2HB LYS 4 10.445 21.066 9.751 35 HB3 LYS 4 1HB LYS 4 10.231 20.781 8.030 36 HG2 LYS 4 2HG LYS 4 8.251 21.806 8.927 37 HG3 LYS 4 1HG LYS 4 7.887 20.147 8.454 38 HD2 LYS 4 2HD LYS 4 6.851 20.591 10.578 39 HD3 LYS 4 1HD LYS 4 8.179 19.457 10.820 40 HE2 LYS 4 2HE LYS 4 8.202 21.123 12.571 41 HE3 LYS 4 1HE LYS 4 9.614 21.330 11.536 42 HZ1 LYS 4 3HZ LYS 4 8.471 23.139 10.404 43 HZ2 LYS 4 1HZ LYS 4 8.595 23.447 12.068 44 HZ3 LYS 4 2HZ LYS 4 7.116 22.939 11.406 45 H ARG 5 H ARG 5 9.513 16.630 9.395 46 HA ARG 5 HA ARG 5 8.147 16.431 6.863 47 HE ARG 5 HE ARG 5 10.952 15.680 3.582 48 HB2 ARG 5 2HB ARG 5 10.625 16.112 6.338 49 HB3 ARG 5 1HB ARG 5 10.566 14.671 7.341 50 HG2 ARG 5 2HG ARG 5 10.356 13.916 5.132 51 HG3 ARG 5 1HG ARG 5 8.726 13.845 5.807 52 HD2 ARG 5 2HD ARG 5 8.553 14.788 3.625 53 HD3 ARG 5 1HD ARG 5 8.302 16.093 4.785 54 HH11 ARG 5 1HH1 ARG 5 8.129 17.687 4.117 55 HH12 ARG 5 2HH1 ARG 5 8.835 19.089 3.369 56 HH21 ARG 5 1HH2 ARG 5 11.889 17.530 2.625 57 HH22 ARG 5 2HH2 ARG 5 10.972 19.009 2.533 58 H VAL 6 H VAL 6 7.019 14.311 6.723 59 HA VAL 6 HA VAL 6 6.276 13.336 9.309 60 HB VAL 6 HB VAL 6 5.638 12.164 6.589 61 HG11 VAL 6 1HG1 VAL 6 3.819 10.998 7.732 62 HG12 VAL 6 2HG1 VAL 6 4.354 11.661 9.277 63 HG13 VAL 6 3HG1 VAL 6 5.384 10.532 8.397 64 HG21 VAL 6 3HG2 VAL 6 4.041 14.018 8.357 65 HG22 VAL 6 1HG2 VAL 6 3.468 13.278 6.862 66 HG23 VAL 6 2HG2 VAL 6 4.797 14.435 6.818 67 H ASP 7 H ASP 7 7.997 12.479 10.340 68 HA ASP 7 HA ASP 7 9.516 10.347 9.017 69 HB2 ASP 7 2HB ASP 7 10.694 12.280 10.178 70 HB3 ASP 7 1HB ASP 7 10.090 11.630 11.698 71 H GLY 8 H GLY 8 8.103 8.638 9.155 72 HA2 GLY 8 2HA GLY 8 7.114 7.946 11.842 73 HA3 GLY 8 1HA GLY 8 6.387 7.413 10.333 74 HA PRO 9 HA PRO 9 8.966 3.896 11.755 75 HB2 PRO 9 2HB PRO 9 6.808 2.232 10.745 76 HB3 PRO 9 1HB PRO 9 7.419 2.369 12.394 77 HG2 PRO 9 2HG PRO 9 4.963 3.264 11.640 78 HG3 PRO 9 1HG PRO 9 5.897 3.985 12.963 79 HD2 PRO 9 2HD PRO 9 5.569 4.929 10.141 80 HD3 PRO 9 1HD PRO 9 5.581 5.869 11.650 81 H ARG 10 H ARG 10 10.302 2.692 10.472 82 HA ARG 10 HA ARG 10 9.953 2.955 7.592 83 HE ARG 10 HE ARG 10 12.753 6.190 7.257 84 HB2 ARG 10 2HB ARG 10 12.238 2.245 9.369 85 HB3 ARG 10 1HB ARG 10 12.245 1.607 7.731 86 HG2 ARG 10 2HG ARG 10 13.504 3.663 7.836 87 HG3 ARG 10 1HG ARG 10 12.059 3.891 6.852 88 HD2 ARG 10 2HD ARG 10 10.935 4.894 8.810 89 HD3 ARG 10 1HD ARG 10 12.439 4.747 9.717 90 HH11 ARG 10 1HH1 ARG 10 11.771 6.447 10.601 91 HH12 ARG 10 2HH1 ARG 10 12.102 8.151 10.709 92 HH21 ARG 10 1HH2 ARG 10 13.208 8.438 7.388 93 HH22 ARG 10 2HH2 ARG 10 12.906 9.281 8.886 94 H GLN 11 H GLN 11 9.323 0.698 10.048 95 HA GLN 11 HA GLN 11 8.648 -1.295 8.027 96 HB2 GLN 11 2HB GLN 11 9.721 -3.108 9.221 97 HB3 GLN 11 1HB GLN 11 10.918 -1.877 8.844 98 HG2 GLN 11 2HG GLN 11 10.817 -1.044 11.115 99 HG3 GLN 11 1HG GLN 11 9.557 -2.212 11.508 100 HE21 GLN 11 1HE2 GLN 11 10.741 -3.175 13.114 101 HE22 GLN 11 2HE2 GLN 11 12.130 -4.159 12.803 102 H VAL 12 H VAL 12 6.903 -2.530 8.524 103 HA VAL 12 HA VAL 12 5.832 -2.451 11.263 104 HB VAL 12 HB VAL 12 3.516 -2.468 10.321 105 HG11 VAL 12 1HG1 VAL 12 3.408 -0.065 9.851 106 HG12 VAL 12 2HG1 VAL 12 5.163 -0.026 9.674 107 HG13 VAL 12 3HG1 VAL 12 4.443 -0.419 11.235 108 HG21 VAL 12 3HG2 VAL 12 3.150 -1.698 8.032 109 HG22 VAL 12 1HG2 VAL 12 4.047 -3.216 8.060 110 HG23 VAL 12 2HG2 VAL 12 4.889 -1.698 7.748 111 H THR 13 H THR 13 3.984 -4.250 11.348 112 HA THR 13 HA THR 13 5.217 -6.654 10.185 113 HB THR 13 HB THR 13 3.415 -6.567 12.609 114 HG1 THR 13 HG1 THR 13 6.258 -6.681 12.654 115 HG21 THR 13 3HG2 THR 13 5.442 -8.602 11.665 116 HG22 THR 13 1HG2 THR 13 3.691 -8.757 11.520 117 HG23 THR 13 2HG2 THR 13 4.446 -8.724 13.113 118 H LEU 14 H LEU 14 3.969 -8.182 9.166 119 HA LEU 14 HA LEU 14 1.262 -7.368 8.409 120 HG LEU 14 HG LEU 14 2.748 -8.437 5.170 121 HB2 LEU 14 2HB LEU 14 3.074 -9.559 7.390 122 HB3 LEU 14 1HB LEU 14 1.418 -9.367 6.865 123 HD11 LEU 14 1HD1 LEU 14 1.798 -6.150 6.875 124 HD12 LEU 14 2HD1 LEU 14 0.814 -7.083 5.748 125 HD13 LEU 14 3HD1 LEU 14 2.143 -6.089 5.148 126 HD21 LEU 14 3HD2 LEU 14 4.792 -8.258 6.608 127 HD22 LEU 14 1HD2 LEU 14 4.172 -6.702 7.159 128 HD23 LEU 14 2HD2 LEU 14 4.548 -6.952 5.454 129 HA PRO 15 HA PRO 15 -0.707 -10.528 10.933 130 HB2 PRO 15 2HB PRO 15 -2.586 -11.017 8.730 131 HB3 PRO 15 1HB PRO 15 -2.903 -10.362 10.337 132 HG2 PRO 15 2HG PRO 15 -3.044 -8.837 8.122 133 HG3 PRO 15 1HG PRO 15 -2.499 -8.191 9.682 134 HD2 PRO 15 2HD PRO 15 -0.874 -9.036 7.309 135 HD3 PRO 15 1HD PRO 15 -0.674 -7.624 8.370 136 H ASP 16 H ASP 16 0.800 -10.952 8.012 137 HA ASP 16 HA ASP 16 0.408 -13.836 7.855 138 HB2 ASP 16 2HB ASP 16 2.027 -12.031 6.038 139 HB3 ASP 16 1HB ASP 16 1.522 -13.686 5.710 140 H GLY 17 H GLY 17 2.313 -11.758 9.541 141 HA2 GLY 17 2HA GLY 17 4.035 -12.394 10.998 142 HA3 GLY 17 1HA GLY 17 4.276 -13.851 10.043 143 H THR 18 H THR 18 4.117 -11.288 7.967 144 HA THR 18 HA THR 18 6.995 -11.387 7.547 145 HB THR 18 HB THR 18 5.030 -9.922 5.801 146 HG1 THR 18 HG1 THR 18 5.442 -12.732 6.032 147 HG21 THR 18 3HG2 THR 18 7.549 -11.487 5.208 148 HG22 THR 18 1HG2 THR 18 7.411 -9.729 5.255 149 HG23 THR 18 2HG2 THR 18 6.556 -10.647 4.016 150 H VAL 19 H VAL 19 8.077 -9.290 6.886 151 HA VAL 19 HA VAL 19 7.151 -7.052 8.554 152 HB VAL 19 HB VAL 19 9.934 -7.596 7.487 153 HG11 VAL 19 1HG1 VAL 19 10.615 -5.696 8.909 154 HG12 VAL 19 2HG1 VAL 19 8.920 -5.379 9.270 155 HG13 VAL 19 3HG1 VAL 19 9.517 -5.209 7.618 156 HG21 VAL 19 3HG2 VAL 19 9.306 -9.113 9.292 157 HG22 VAL 19 1HG2 VAL 19 8.858 -7.735 10.301 158 HG23 VAL 19 2HG2 VAL 19 10.541 -7.970 9.825 159 H LEU 20 H LEU 20 6.510 -5.249 7.598 160 HA LEU 20 HA LEU 20 6.972 -4.957 4.703 161 HG LEU 20 HG LEU 20 5.153 -2.331 4.581 162 HB2 LEU 20 2HB LEU 20 4.618 -5.207 5.303 163 HB3 LEU 20 1HB LEU 20 4.744 -3.887 6.442 164 HD11 LEU 20 1HD1 LEU 20 4.777 -3.081 2.277 165 HD12 LEU 20 2HD1 LEU 20 4.666 -4.748 2.844 166 HD13 LEU 20 3HD1 LEU 20 6.182 -3.861 3.001 167 HD21 LEU 20 3HD2 LEU 20 2.894 -2.675 5.408 168 HD22 LEU 20 1HD2 LEU 20 2.672 -4.019 4.289 169 HD23 LEU 20 2HD2 LEU 20 2.884 -2.382 3.671 170 H SER 21 H SER 21 8.682 -3.649 4.463 171 HA SER 21 HA SER 21 8.931 -1.321 6.209 172 HG SER 21 HG SER 21 10.367 -3.271 3.608 173 HB2 SER 21 2HB SER 21 11.163 -1.060 5.216 174 HB3 SER 21 1HB SER 21 10.948 -2.700 5.817 175 H ARG 22 H ARG 22 9.546 0.773 5.076 176 HA ARG 22 HA ARG 22 7.558 1.369 3.102 177 HE ARG 22 HE ARG 22 8.723 5.783 3.931 178 HB2 ARG 22 2HB ARG 22 9.805 3.026 4.255 179 HB3 ARG 22 1HB ARG 22 8.641 3.645 3.089 180 HG2 ARG 22 2HG ARG 22 6.823 3.200 4.645 181 HG3 ARG 22 1HG ARG 22 7.971 2.537 5.808 182 HD2 ARG 22 2HD ARG 22 7.325 4.847 6.345 183 HD3 ARG 22 1HD ARG 22 9.050 4.695 6.021 184 HH11 ARG 22 1HH1 ARG 22 5.847 5.724 5.951 185 HH12 ARG 22 2HH1 ARG 22 5.108 7.064 5.135 186 HH21 ARG 22 1HH2 ARG 22 7.737 7.564 2.892 187 HH22 ARG 22 2HH2 ARG 22 6.146 8.081 3.377 188 H ALA 23 H ALA 23 10.476 -0.106 2.892 189 HA ALA 23 HA ALA 23 11.134 0.865 0.223 190 HB1 ALA 23 3HB ALA 23 12.457 -1.250 1.921 191 HB2 ALA 23 1HB ALA 23 12.957 0.436 1.794 192 HB3 ALA 23 2HB ALA 23 13.063 -0.623 0.389 193 H ASP 24 H ASP 24 9.276 -1.567 1.738 194 HA ASP 24 HA ASP 24 9.462 -3.509 -0.392 195 HB2 ASP 24 2HB ASP 24 7.664 -3.307 2.022 196 HB3 ASP 24 1HB ASP 24 7.468 -4.562 0.806 197 H LEU 25 H LEU 25 7.821 -0.622 0.076 198 HA LEU 25 HA LEU 25 5.380 -1.081 -1.204 199 HG LEU 25 HG LEU 25 6.049 0.688 1.097 200 HB2 LEU 25 2HB LEU 25 7.111 1.381 -1.039 201 HB3 LEU 25 1HB LEU 25 5.530 1.384 -1.797 202 HD11 LEU 25 1HD1 LEU 25 4.999 2.852 1.576 203 HD12 LEU 25 2HD1 LEU 25 4.942 3.203 -0.150 204 HD13 LEU 25 3HD1 LEU 25 6.496 3.039 0.664 205 HD21 LEU 25 3HD2 LEU 25 4.087 -0.428 0.145 206 HD22 LEU 25 1HD2 LEU 25 3.469 1.129 -0.402 207 HD23 LEU 25 2HD2 LEU 25 3.627 0.802 1.323 208 HA PRO 26 HA PRO 26 6.571 -2.227 -5.302 209 HB2 PRO 26 2HB PRO 26 4.238 -1.301 -6.518 210 HB3 PRO 26 1HB PRO 26 4.449 -2.898 -5.793 211 HG2 PRO 26 2HG PRO 26 3.195 -0.444 -4.650 212 HG3 PRO 26 1HG PRO 26 2.708 -2.142 -4.480 213 HD2 PRO 26 2HD PRO 26 3.966 -0.857 -2.508 214 HD3 PRO 26 1HD PRO 26 4.311 -2.564 -2.858 215 HA PRO 27 HA PRO 27 8.252 1.334 -7.286 216 HB2 PRO 27 2HB PRO 27 7.972 0.597 -9.927 217 HB3 PRO 27 1HB PRO 27 9.256 0.023 -8.861 218 HG2 PRO 27 2HG PRO 27 6.693 -1.309 -9.630 219 HG3 PRO 27 1HG PRO 27 8.316 -2.008 -9.462 220 HD2 PRO 27 2HD PRO 27 6.454 -2.319 -7.558 221 HD3 PRO 27 1HD PRO 27 8.170 -2.105 -7.151 222 H LEU 28 H LEU 28 7.725 3.165 -8.556 223 HA LEU 28 HA LEU 28 4.908 3.785 -8.483 224 HG LEU 28 HG LEU 28 7.728 4.894 -7.190 225 HB2 LEU 28 2HB LEU 28 7.162 5.519 -9.487 226 HB3 LEU 28 1HB LEU 28 5.572 6.041 -8.967 227 HD11 LEU 28 1HD1 LEU 28 8.222 7.150 -7.932 228 HD12 LEU 28 2HD1 LEU 28 7.779 7.143 -6.225 229 HD13 LEU 28 3HD1 LEU 28 6.618 7.685 -7.436 230 HD21 LEU 28 3HD2 LEU 28 5.493 4.264 -6.424 231 HD22 LEU 28 1HD2 LEU 28 4.995 5.957 -6.480 232 HD23 LEU 28 2HD2 LEU 28 6.238 5.438 -5.340 233 H ASP 29 H ASP 29 6.707 2.186 -10.632 234 HA ASP 29 HA ASP 29 5.632 3.421 -13.052 235 HB2 ASP 29 2HB ASP 29 7.505 1.057 -12.775 236 HB3 ASP 29 1HB ASP 29 7.122 1.918 -14.261 237 H THR 30 H THR 30 4.527 1.341 -10.830 238 HA THR 30 HA THR 30 3.610 -0.773 -12.574 239 HB THR 30 HB THR 30 3.042 -0.282 -9.644 240 HG1 THR 30 HG1 THR 30 5.127 -1.476 -11.040 241 HG21 THR 30 3HG2 THR 30 1.323 -1.668 -10.701 242 HG22 THR 30 1HG2 THR 30 2.321 -2.628 -9.608 243 HG23 THR 30 2HG2 THR 30 2.570 -2.731 -11.353 244 H ARG 31 H ARG 31 1.820 -0.617 -13.743 245 HA ARG 31 HA ARG 31 -0.507 0.559 -12.399 246 HE ARG 31 HE ARG 31 -1.825 4.247 -12.507 247 HB2 ARG 31 2HB ARG 31 0.525 1.199 -15.027 248 HB3 ARG 31 1HB ARG 31 -1.136 0.624 -15.112 249 HG2 ARG 31 2HG ARG 31 -0.128 2.881 -13.388 250 HG3 ARG 31 1HG ARG 31 -1.081 3.037 -14.866 251 HD2 ARG 31 2HD ARG 31 -2.980 2.052 -13.862 252 HD3 ARG 31 1HD ARG 31 -2.049 1.482 -12.479 253 HH11 ARG 31 1HH1 ARG 31 -4.387 1.876 -12.146 254 HH12 ARG 31 2HH1 ARG 31 -5.363 2.891 -11.124 255 HH21 ARG 31 1HH2 ARG 31 -3.089 5.577 -11.190 256 HH22 ARG 31 2HH2 ARG 31 -4.641 5.029 -10.634 257 H ARG 32 H ARG 32 0.855 -2.066 -14.200 258 HA ARG 32 HA ARG 32 -1.613 -3.551 -14.212 259 HE ARG 32 HE ARG 32 4.155 -4.503 -16.309 260 HB2 ARG 32 2HB ARG 32 -0.064 -5.530 -14.661 261 HB3 ARG 32 1HB ARG 32 -0.096 -4.262 -15.877 262 HG2 ARG 32 2HG ARG 32 1.997 -3.394 -15.123 263 HG3 ARG 32 1HG ARG 32 1.999 -4.477 -13.729 264 HD2 ARG 32 2HD ARG 32 2.235 -6.393 -15.135 265 HD3 ARG 32 1HD ARG 32 1.992 -5.426 -16.587 266 HH11 ARG 32 1HH1 ARG 32 3.418 -6.931 -13.878 267 HH12 ARG 32 2HH1 ARG 32 5.089 -7.327 -13.592 268 HH21 ARG 32 1HH2 ARG 32 6.346 -5.020 -15.916 269 HH22 ARG 32 2HH2 ARG 32 6.743 -6.234 -14.741 270 H TRP 33 H TRP 33 -2.042 -2.942 -11.986 271 HA TRP 33 HA TRP 33 -0.363 -3.823 -9.861 272 HD1 TRP 33 HD1 TRP 33 -2.471 -0.437 -11.046 273 HE1 TRP 33 HE1 TRP 33 -0.995 1.514 -10.239 274 HE3 TRP 33 HE3 TRP 33 -0.237 -2.708 -7.056 275 HZ2 TRP 33 HZ2 TRP 33 0.861 2.017 -8.187 276 HZ3 TRP 33 HZ3 TRP 33 1.371 -1.420 -5.716 277 HH2 TRP 33 HH2 TRP 33 1.910 0.894 -6.273 278 HB2 TRP 33 2HB TRP 33 -3.168 -2.729 -9.953 279 HB3 TRP 33 1HB TRP 33 -2.382 -3.193 -8.448 280 H VAL 34 H VAL 34 -0.081 -5.972 -9.626 281 HA VAL 34 HA VAL 34 -2.309 -7.802 -9.634 282 HB VAL 34 HB VAL 34 -0.687 -9.481 -8.819 283 HG11 VAL 34 1HG1 VAL 34 0.273 -7.833 -11.152 284 HG12 VAL 34 2HG1 VAL 34 -0.899 -9.149 -11.202 285 HG13 VAL 34 3HG1 VAL 34 0.783 -9.481 -10.796 286 HG21 VAL 34 3HG2 VAL 34 1.292 -7.205 -8.863 287 HG22 VAL 34 1HG2 VAL 34 1.680 -8.904 -8.599 288 HG23 VAL 34 2HG2 VAL 34 0.693 -8.032 -7.426 289 H ALA 35 H ALA 35 -2.643 -9.214 -7.627 290 HA ALA 35 HA ALA 35 -3.681 -7.562 -5.612 291 HB1 ALA 35 3HB ALA 35 -3.088 -10.514 -5.478 292 HB2 ALA 35 1HB ALA 35 -4.569 -9.779 -6.095 293 HB3 ALA 35 2HB ALA 35 -4.148 -9.616 -4.391 294 H SER 36 H SER 36 -0.683 -9.380 -5.799 295 HA SER 36 HA SER 36 0.210 -9.162 -3.186 296 HG SER 36 HG SER 36 1.665 -11.494 -4.893 297 HB2 SER 36 2HB SER 36 1.992 -8.982 -5.612 298 HB3 SER 36 1HB SER 36 2.354 -9.711 -4.047 299 H ARG 37 H ARG 37 0.625 -6.908 -5.893 300 HA ARG 37 HA ARG 37 2.300 -5.143 -4.375 301 HE ARG 37 HE ARG 37 4.419 -6.750 -8.750 302 HB2 ARG 37 2HB ARG 37 0.957 -4.755 -7.057 303 HB3 ARG 37 1HB ARG 37 2.137 -3.656 -6.355 304 HG2 ARG 37 2HG ARG 37 3.796 -5.496 -6.361 305 HG3 ARG 37 1HG ARG 37 2.607 -6.522 -7.162 306 HD2 ARG 37 2HD ARG 37 2.512 -4.865 -9.012 307 HD3 ARG 37 1HD ARG 37 3.815 -3.972 -8.230 308 HH11 ARG 37 1HH1 ARG 37 4.534 -3.476 -9.984 309 HH12 ARG 37 2HH1 ARG 37 5.747 -3.823 -11.172 310 HH21 ARG 37 1HH2 ARG 37 6.057 -7.209 -10.315 311 HH22 ARG 37 2HH2 ARG 37 6.624 -5.930 -11.352 312 H LYS 38 H LYS 38 -1.100 -5.192 -5.344 313 HA LYS 38 HA LYS 38 -1.803 -2.662 -4.322 314 HB2 LYS 38 2HB LYS 38 -3.470 -5.174 -4.560 315 HB3 LYS 38 1HB LYS 38 -4.117 -3.596 -4.148 316 HG2 LYS 38 2HG LYS 38 -3.179 -2.788 -6.361 317 HG3 LYS 38 1HG LYS 38 -2.923 -4.491 -6.749 318 HD2 LYS 38 2HD LYS 38 -5.325 -4.913 -6.352 319 HD3 LYS 38 1HD LYS 38 -5.557 -3.193 -6.047 320 HE2 LYS 38 2HE LYS 38 -4.704 -2.733 -8.335 321 HE3 LYS 38 1HE LYS 38 -4.658 -4.471 -8.621 322 HZ1 LYS 38 3HZ LYS 38 -6.681 -3.681 -9.516 323 HZ2 LYS 38 1HZ LYS 38 -7.044 -2.779 -8.125 324 HZ3 LYS 38 2HZ LYS 38 -7.090 -4.473 -8.074 325 H ALA 39 H ALA 39 -1.750 -5.872 -2.846 326 HA ALA 39 HA ALA 39 -2.803 -5.216 -0.352 327 HB1 ALA 39 3HB ALA 39 -2.492 -7.518 -1.115 328 HB2 ALA 39 1HB ALA 39 -1.745 -7.255 0.460 329 HB3 ALA 39 2HB ALA 39 -0.743 -7.325 -0.988 330 H ALA 40 H ALA 40 0.556 -5.168 -1.494 331 HA ALA 40 HA ALA 40 1.810 -4.602 0.923 332 HB1 ALA 40 3HB ALA 40 3.664 -3.759 -0.397 333 HB2 ALA 40 1HB ALA 40 2.625 -3.645 -1.817 334 HB3 ALA 40 2HB ALA 40 3.005 -5.221 -1.126 335 H VAL 41 H VAL 41 0.391 -2.392 -1.455 336 HA VAL 41 HA VAL 41 1.192 -0.003 -0.149 337 HB VAL 41 HB VAL 41 -1.132 -0.423 -2.032 338 HG11 VAL 41 1HG1 VAL 41 0.336 2.099 -1.278 339 HG12 VAL 41 2HG1 VAL 41 -1.303 1.668 -0.789 340 HG13 VAL 41 3HG1 VAL 41 -0.938 1.966 -2.489 341 HG21 VAL 41 3HG2 VAL 41 0.962 -1.145 -3.029 342 HG22 VAL 41 1HG2 VAL 41 1.714 0.390 -2.599 343 HG23 VAL 41 2HG2 VAL 41 0.404 0.349 -3.778 344 H VAL 42 H VAL 42 -1.936 -1.720 -0.214 345 HA VAL 42 HA VAL 42 -3.211 0.159 1.483 346 HB VAL 42 HB VAL 42 -4.442 -1.291 -0.088 347 HG11 VAL 42 1HG1 VAL 42 -4.983 -3.604 0.578 348 HG12 VAL 42 2HG1 VAL 42 -3.768 -3.487 1.853 349 HG13 VAL 42 3HG1 VAL 42 -3.287 -3.370 0.159 350 HG21 VAL 42 3HG2 VAL 42 -5.288 -1.539 2.794 351 HG22 VAL 42 1HG2 VAL 42 -6.336 -1.790 1.398 352 HG23 VAL 42 2HG2 VAL 42 -5.642 -0.198 1.706 353 H LYS 43 H LYS 43 -1.558 -2.922 2.118 354 HA LYS 43 HA LYS 43 -2.305 -3.098 4.848 355 HB2 LYS 43 2HB LYS 43 -0.005 -4.286 3.302 356 HB3 LYS 43 1HB LYS 43 -0.214 -4.566 5.026 357 HG2 LYS 43 2HG LYS 43 -2.395 -5.575 4.604 358 HG3 LYS 43 1HG LYS 43 -2.201 -5.283 2.873 359 HD2 LYS 43 2HD LYS 43 -0.258 -6.755 2.828 360 HD3 LYS 43 1HD LYS 43 -0.387 -7.005 4.569 361 HE2 LYS 43 2HE LYS 43 -2.604 -8.019 4.238 362 HE3 LYS 43 1HE LYS 43 -2.431 -7.803 2.501 363 HZ1 LYS 43 3HZ LYS 43 -0.643 -9.470 4.194 364 HZ2 LYS 43 1HZ LYS 43 -0.544 -9.293 2.511 365 HZ3 LYS 43 2HZ LYS 43 -1.883 -10.061 3.208 366 H ALA 44 H ALA 44 0.214 -1.355 3.160 367 HA ALA 44 HA ALA 44 1.789 -0.673 5.397 368 HB1 ALA 44 3HB ALA 44 2.569 -0.379 3.093 369 HB2 ALA 44 1HB ALA 44 2.677 1.124 4.006 370 HB3 ALA 44 2HB ALA 44 1.369 0.888 2.850 371 H VAL 45 H VAL 45 -1.048 0.834 3.934 372 HA VAL 45 HA VAL 45 -1.063 3.098 5.673 373 HB VAL 45 HB VAL 45 -3.358 1.913 4.095 374 HG11 VAL 45 1HG1 VAL 45 -4.325 4.166 4.219 375 HG12 VAL 45 2HG1 VAL 45 -2.994 4.669 5.264 376 HG13 VAL 45 3HG1 VAL 45 -4.133 3.441 5.817 377 HG21 VAL 45 3HG2 VAL 45 -1.498 2.445 2.631 378 HG22 VAL 45 1HG2 VAL 45 -1.371 4.056 3.340 379 HG23 VAL 45 2HG2 VAL 45 -2.799 3.613 2.403 380 H ILE 46 H ILE 46 -2.611 -0.062 5.698 381 HA ILE 46 HA ILE 46 -4.342 0.464 7.884 382 HB ILE 46 HB ILE 46 -3.419 -2.164 6.720 383 HG12 ILE 46 2HG1 ILE 46 -5.995 -0.613 6.369 384 HG13 ILE 46 1HG1 ILE 46 -4.686 -0.662 5.199 385 HG21 ILE 46 1HG2 ILE 46 -5.306 -3.185 7.877 386 HG22 ILE 46 2HG2 ILE 46 -5.693 -1.639 8.630 387 HG23 ILE 46 3HG2 ILE 46 -4.185 -2.458 9.031 388 HD11 ILE 46 3HD1 ILE 46 -5.027 -3.069 4.929 389 HD12 ILE 46 1HD1 ILE 46 -6.484 -2.147 4.548 390 HD13 ILE 46 2HD1 ILE 46 -6.356 -3.000 6.088 391 H HIS 47 H HIS 47 -1.041 -0.755 7.696 392 HA HIS 47 HA HIS 47 -1.096 -1.478 10.521 393 HD1 HIS 47 HD1 HIS 47 -0.850 -3.862 10.976 394 HD2 HIS 47 HD2 HIS 47 0.512 -4.003 7.047 395 HE1 HIS 47 HE1 HIS 47 -1.620 -6.075 10.072 396 HE2 HIS 47 HE2 HIS 47 -0.671 -6.190 7.743 397 HB2 HIS 47 2HB HIS 47 1.046 -1.758 8.419 398 HB3 HIS 47 1HB HIS 47 1.305 -2.154 10.114 399 H GLY 48 H GLY 48 -0.697 1.339 8.893 400 HA2 GLY 48 2HA GLY 48 -0.142 3.406 9.792 401 HA3 GLY 48 1HA GLY 48 0.446 2.585 11.231 402 H LEU 49 H LEU 49 1.468 1.953 7.939 403 HA LEU 49 HA LEU 49 4.212 2.671 8.660 404 HG LEU 49 HG LEU 49 5.401 2.293 5.900 405 HB2 LEU 49 2HB LEU 49 3.721 0.473 7.616 406 HB3 LEU 49 1HB LEU 49 3.116 1.306 6.199 407 HD11 LEU 49 1HD1 LEU 49 6.208 2.039 8.178 408 HD12 LEU 49 2HD1 LEU 49 7.264 1.192 7.045 409 HD13 LEU 49 3HD1 LEU 49 6.117 0.283 8.029 410 HD21 LEU 49 3HD2 LEU 49 4.607 0.368 4.614 411 HD22 LEU 49 1HD2 LEU 49 5.215 -0.715 5.865 412 HD23 LEU 49 2HD2 LEU 49 6.339 0.273 4.932 413 H ILE 50 H ILE 50 1.768 3.278 6.190 414 HA ILE 50 HA ILE 50 2.928 5.943 5.763 415 HB ILE 50 HB ILE 50 2.457 5.869 3.395 416 HG12 ILE 50 2HG1 ILE 50 1.583 2.992 3.735 417 HG13 ILE 50 1HG1 ILE 50 0.464 4.344 3.599 418 HG21 ILE 50 1HG2 ILE 50 4.047 4.142 2.647 419 HG22 ILE 50 2HG2 ILE 50 3.999 3.430 4.259 420 HG23 ILE 50 3HG2 ILE 50 4.637 5.057 4.035 421 HD11 ILE 50 3HD1 ILE 50 0.733 3.186 1.476 422 HD12 ILE 50 1HD1 ILE 50 2.467 3.510 1.511 423 HD13 ILE 50 2HD1 ILE 50 1.320 4.846 1.377 424 H THR 51 H THR 51 1.191 7.321 4.545 425 HA THR 51 HA THR 51 -1.401 6.748 5.795 426 HB THR 51 HB THR 51 -0.508 8.881 6.506 427 HG1 THR 51 HG1 THR 51 -2.258 10.218 5.807 428 HG21 THR 51 3HG2 THR 51 0.988 9.316 4.605 429 HG22 THR 51 1HG2 THR 51 -0.046 10.701 4.947 430 HG23 THR 51 2HG2 THR 51 -0.409 9.643 3.585 431 H GLU 52 H GLU 52 -3.334 7.190 4.561 432 HA GLU 52 HA GLU 52 -3.406 5.883 2.114 433 HB2 GLU 52 2HB GLU 52 -5.351 6.311 3.645 434 HB3 GLU 52 1HB GLU 52 -5.382 7.967 3.060 435 HG2 GLU 52 2HG GLU 52 -5.612 6.916 0.727 436 HG3 GLU 52 1HG GLU 52 -6.038 5.440 1.595 437 H ARG 53 H ARG 53 -3.254 9.331 2.821 438 HA ARG 53 HA ARG 53 -3.602 10.199 0.159 439 HE ARG 53 HE ARG 53 -6.925 12.804 1.665 440 HB2 ARG 53 2HB ARG 53 -2.549 11.543 2.629 441 HB3 ARG 53 1HB ARG 53 -2.575 12.366 1.075 442 HG2 ARG 53 2HG ARG 53 -4.980 11.209 2.477 443 HG3 ARG 53 1HG ARG 53 -4.530 12.916 2.445 444 HD2 ARG 53 2HD ARG 53 -4.767 12.943 0.020 445 HD3 ARG 53 1HD ARG 53 -5.164 11.228 0.029 446 HH11 ARG 53 1HH1 ARG 53 -6.284 11.728 -1.618 447 HH12 ARG 53 2HH1 ARG 53 -7.949 11.833 -2.104 448 HH21 ARG 53 1HH2 ARG 53 -9.116 12.983 0.977 449 HH22 ARG 53 2HH2 ARG 53 -9.533 12.538 -0.659 450 H GLU 54 H GLU 54 -0.779 9.130 1.924 451 HA GLU 54 HA GLU 54 1.096 10.244 0.066 452 HB2 GLU 54 2HB GLU 54 1.721 9.584 2.407 453 HB3 GLU 54 1HB GLU 54 1.545 7.899 1.924 454 HG2 GLU 54 2HG GLU 54 3.248 8.375 0.115 455 HG3 GLU 54 1HG GLU 54 3.541 9.909 0.926 456 H ALA 55 H ALA 55 -0.521 7.154 0.514 457 HA ALA 55 HA ALA 55 0.761 5.727 -1.548 458 HB1 ALA 55 3HB ALA 55 -2.051 5.410 -0.495 459 HB2 ALA 55 1HB ALA 55 -0.606 4.641 0.164 460 HB3 ALA 55 2HB ALA 55 -1.165 4.224 -1.454 461 H LEU 56 H LEU 56 -2.243 7.596 -1.498 462 HA LEU 56 HA LEU 56 -2.904 7.291 -4.216 463 HG LEU 56 HG LEU 56 -4.317 7.424 -1.443 464 HB2 LEU 56 2HB LEU 56 -3.541 9.600 -2.383 465 HB3 LEU 56 1HB LEU 56 -4.372 9.209 -3.875 466 HD11 LEU 56 1HD1 LEU 56 -6.445 9.317 -2.423 467 HD12 LEU 56 2HD1 LEU 56 -5.516 9.452 -0.928 468 HD13 LEU 56 3HD1 LEU 56 -6.654 8.122 -1.143 469 HD21 LEU 56 3HD2 LEU 56 -6.103 6.224 -2.566 470 HD22 LEU 56 1HD2 LEU 56 -4.645 6.242 -3.559 471 HD23 LEU 56 2HD2 LEU 56 -5.989 7.315 -3.947 472 H ASP 57 H ASP 57 -0.882 9.599 -2.521 473 HA ASP 57 HA ASP 57 -0.570 11.414 -4.678 474 HB2 ASP 57 2HB ASP 57 -0.176 12.044 -2.337 475 HB3 ASP 57 1HB ASP 57 1.194 10.947 -2.266 476 H ARG 58 H ARG 58 1.636 8.943 -3.350 477 HA ARG 58 HA ARG 58 3.653 9.500 -5.271 478 HE ARG 58 HE ARG 58 4.245 6.555 -0.847 479 HB2 ARG 58 2HB ARG 58 4.876 7.641 -4.342 480 HB3 ARG 58 1HB ARG 58 4.140 8.551 -3.033 481 HG2 ARG 58 2HG ARG 58 2.581 6.894 -2.583 482 HG3 ARG 58 1HG ARG 58 2.785 6.138 -4.162 483 HD2 ARG 58 2HD ARG 58 3.854 4.719 -2.610 484 HD3 ARG 58 1HD ARG 58 5.133 5.573 -3.464 485 HH11 ARG 58 1HH1 ARG 58 6.733 5.202 -2.900 486 HH12 ARG 58 2HH1 ARG 58 7.975 5.311 -1.695 487 HH21 ARG 58 1HH2 ARG 58 5.852 6.654 0.769 488 HH22 ARG 58 2HH2 ARG 58 7.468 6.103 0.400 489 H TYR 59 H TYR 59 0.875 7.428 -5.376 490 HA TYR 59 HA TYR 59 2.021 6.033 -7.703 491 HD1 TYR 59 HD2 TYR 59 2.704 3.695 -7.531 492 HD2 TYR 59 HD1 TYR 59 0.522 4.375 -3.944 493 HE1 TYR 59 HE2 TYR 59 4.284 2.265 -6.305 494 HE2 TYR 59 HE1 TYR 59 2.096 2.949 -2.709 495 HH TYR 59 HH TYR 59 5.014 1.703 -4.212 496 HB2 TYR 59 2HB TYR 59 -0.267 5.271 -5.900 497 HB3 TYR 59 1HB TYR 59 0.116 4.420 -7.390 498 H SER 60 H SER 60 0.153 8.638 -7.094 499 HA SER 60 HA SER 60 -1.355 9.864 -8.266 500 HG SER 60 HG SER 60 -2.138 9.411 -11.391 501 HB2 SER 60 2HB SER 60 0.326 9.419 -10.098 502 HB3 SER 60 1HB SER 60 -0.677 8.065 -10.609 503 H LEU 61 H LEU 61 -2.449 8.011 -6.684 504 HA LEU 61 HA LEU 61 -4.502 6.610 -8.254 505 HG LEU 61 HG LEU 61 -1.927 5.572 -6.505 506 HB2 LEU 61 2HB LEU 61 -3.933 6.328 -5.305 507 HB3 LEU 61 1HB LEU 61 -4.923 5.279 -6.300 508 HD11 LEU 61 1HD1 LEU 61 -2.604 4.458 -4.455 509 HD12 LEU 61 2HD1 LEU 61 -1.879 3.308 -5.577 510 HD13 LEU 61 3HD1 LEU 61 -3.631 3.357 -5.374 511 HD21 LEU 61 3HD2 LEU 61 -3.780 3.635 -7.884 512 HD22 LEU 61 1HD2 LEU 61 -2.025 3.697 -8.033 513 HD23 LEU 61 2HD2 LEU 61 -3.010 5.025 -8.649 514 H SER 62 H SER 62 -6.713 6.702 -7.456 515 HA SER 62 HA SER 62 -7.314 9.204 -6.027 516 HG SER 62 HG SER 62 -8.219 8.971 -9.554 517 HB2 SER 62 2HB SER 62 -9.084 7.775 -8.029 518 HB3 SER 62 1HB SER 62 -9.365 9.360 -7.303 519 H GLU 63 H GLU 63 -9.545 9.070 -4.896 520 HA GLU 63 HA GLU 63 -9.545 7.103 -2.956 521 HB2 GLU 63 2HB GLU 63 -11.751 8.876 -3.976 522 HB3 GLU 63 1HB GLU 63 -12.022 7.735 -2.668 523 HG2 GLU 63 2HG GLU 63 -11.540 9.628 -1.500 524 HG3 GLU 63 1HG GLU 63 -9.950 8.878 -1.598 525 H GLU 64 H GLU 64 -11.371 7.177 -5.987 526 HA GLU 64 HA GLU 64 -12.900 4.899 -5.763 527 HB2 GLU 64 2HB GLU 64 -12.652 4.726 -8.267 528 HB3 GLU 64 1HB GLU 64 -13.156 6.302 -7.673 529 HG2 GLU 64 2HG GLU 64 -10.949 7.185 -7.965 530 HG3 GLU 64 1HG GLU 64 -10.322 5.592 -8.385 531 H GLU 65 H GLU 65 -9.481 5.159 -6.430 532 HA GLU 65 HA GLU 65 -9.129 2.450 -7.286 533 HB2 GLU 65 2HB GLU 65 -7.698 4.475 -7.894 534 HB3 GLU 65 1HB GLU 65 -7.009 4.355 -6.284 535 HG2 GLU 65 2HG GLU 65 -5.500 3.285 -7.711 536 HG3 GLU 65 1HG GLU 65 -6.354 1.992 -6.878 537 H PHE 66 H PHE 66 -7.995 4.243 -4.422 538 HA PHE 66 HA PHE 66 -6.914 1.996 -3.126 539 HD1 PHE 66 HD2 PHE 66 -4.531 2.973 -1.909 540 HD2 PHE 66 HD1 PHE 66 -8.025 3.623 0.428 541 HE1 PHE 66 HE2 PHE 66 -3.347 2.147 0.081 542 HE2 PHE 66 HE1 PHE 66 -6.849 2.795 2.423 543 HZ PHE 66 HZ PHE 66 -4.507 2.057 2.250 544 HB2 PHE 66 2HB PHE 66 -6.365 4.420 -2.684 545 HB3 PHE 66 1HB PHE 66 -7.863 4.518 -1.768 546 H ALA 67 H ALA 67 -10.123 3.419 -3.026 547 HA ALA 67 HA ALA 67 -11.109 2.072 -0.769 548 HB1 ALA 67 3HB ALA 67 -13.323 2.546 -1.650 549 HB2 ALA 67 1HB ALA 67 -12.636 2.917 -3.230 550 HB3 ALA 67 2HB ALA 67 -12.272 3.950 -1.845 551 H LEU 68 H LEU 68 -10.808 1.094 -4.138 552 HA LEU 68 HA LEU 68 -12.241 -1.369 -3.808 553 HG LEU 68 HG LEU 68 -12.432 0.860 -5.959 554 HB2 LEU 68 2HB LEU 68 -10.352 -0.448 -5.975 555 HB3 LEU 68 1HB LEU 68 -11.286 -1.930 -6.037 556 HD11 LEU 68 1HD1 LEU 68 -12.270 -1.141 -8.209 557 HD12 LEU 68 2HD1 LEU 68 -11.343 0.353 -8.080 558 HD13 LEU 68 3HD1 LEU 68 -13.096 0.416 -8.266 559 HD21 LEU 68 3HD2 LEU 68 -13.796 -1.811 -6.279 560 HD22 LEU 68 1HD2 LEU 68 -14.572 -0.230 -6.375 561 HD23 LEU 68 2HD2 LEU 68 -13.870 -0.776 -4.852 562 H TRP 69 H TRP 69 -8.869 -0.353 -3.773 563 HA TRP 69 HA TRP 69 -7.635 -2.855 -3.693 564 HD1 TRP 69 HD1 TRP 69 -7.807 -0.944 -5.574 565 HE1 TRP 69 HE1 TRP 69 -6.211 -0.170 -7.439 566 HE3 TRP 69 HE3 TRP 69 -3.540 -0.448 -2.815 567 HZ2 TRP 69 HZ2 TRP 69 -3.492 0.554 -7.694 568 HZ3 TRP 69 HZ3 TRP 69 -1.486 0.290 -3.941 569 HH2 TRP 69 HH2 TRP 69 -1.462 0.778 -6.330 570 HB2 TRP 69 2HB TRP 69 -6.829 -0.240 -2.422 571 HB3 TRP 69 1HB TRP 69 -5.797 -1.666 -2.427 572 H ARG 70 H ARG 70 -8.764 -0.855 -0.957 573 HA ARG 70 HA ARG 70 -8.187 -2.920 0.928 574 HE ARG 70 HE ARG 70 -11.910 1.879 1.660 575 HB2 ARG 70 2HB ARG 70 -9.366 -1.512 2.559 576 HB3 ARG 70 1HB ARG 70 -8.144 -0.626 1.667 577 HG2 ARG 70 2HG ARG 70 -10.001 0.239 0.204 578 HG3 ARG 70 1HG ARG 70 -11.127 -0.471 1.365 579 HD2 ARG 70 2HD ARG 70 -10.058 0.845 3.158 580 HD3 ARG 70 1HD ARG 70 -9.011 1.593 1.956 581 HH11 ARG 70 1HH1 ARG 70 -8.804 3.284 2.410 582 HH12 ARG 70 2HH1 ARG 70 -9.355 4.927 2.321 583 HH21 ARG 70 1HH2 ARG 70 -12.682 4.022 1.582 584 HH22 ARG 70 2HH2 ARG 70 -11.590 5.337 1.877 585 H SER 71 H SER 71 -10.929 -2.154 -1.073 586 HA SER 71 HA SER 71 -12.841 -3.731 0.274 587 HG SER 71 HG SER 71 -14.746 -4.159 -1.163 588 HB2 SER 71 2HB SER 71 -13.481 -2.190 -1.519 589 HB3 SER 71 1HB SER 71 -12.565 -3.142 -2.686 590 H ALA 72 H ALA 72 -10.205 -4.490 -1.882 591 HA ALA 72 HA ALA 72 -10.958 -7.277 -2.085 592 HB1 ALA 72 3HB ALA 72 -8.447 -5.876 -2.993 593 HB2 ALA 72 1HB ALA 72 -9.885 -6.154 -3.974 594 HB3 ALA 72 2HB ALA 72 -8.926 -7.521 -3.407 595 H VAL 73 H VAL 73 -8.277 -5.441 -0.607 596 HA VAL 73 HA VAL 73 -7.160 -7.870 0.488 597 HB VAL 73 HB VAL 73 -6.240 -5.011 0.787 598 HG11 VAL 73 1HG1 VAL 73 -4.837 -7.602 1.439 599 HG12 VAL 73 2HG1 VAL 73 -5.404 -6.401 2.596 600 HG13 VAL 73 3HG1 VAL 73 -4.098 -6.001 1.481 601 HG21 VAL 73 3HG2 VAL 73 -5.303 -7.207 -1.061 602 HG22 VAL 73 1HG2 VAL 73 -4.569 -5.610 -0.905 603 HG23 VAL 73 2HG2 VAL 73 -6.211 -5.769 -1.531 604 H ALA 74 H ALA 74 -8.623 -4.903 1.853 605 HA ALA 74 HA ALA 74 -8.143 -5.707 4.551 606 HB1 ALA 74 3HB ALA 74 -8.420 -3.340 3.929 607 HB2 ALA 74 1HB ALA 74 -9.532 -3.835 5.205 608 HB3 ALA 74 2HB ALA 74 -10.113 -3.653 3.550 609 H ALA 75 H ALA 75 -10.971 -5.796 2.421 610 HA ALA 75 HA ALA 75 -12.645 -7.053 4.376 611 HB1 ALA 75 3HB ALA 75 -13.585 -5.656 2.604 612 HB2 ALA 75 1HB ALA 75 -14.258 -7.286 2.561 613 HB3 ALA 75 2HB ALA 75 -13.025 -6.810 1.394 614 H HIS 76 H HIS 76 -10.031 -8.219 2.821 615 HA HIS 76 HA HIS 76 -10.944 -10.862 2.180 616 HD1 HIS 76 HD1 HIS 76 -8.935 -12.092 -0.091 617 HD2 HIS 76 HD2 HIS 76 -7.332 -12.400 3.737 618 HE1 HIS 76 HE1 HIS 76 -7.849 -14.358 0.012 619 HE2 HIS 76 HE2 HIS 76 -6.769 -14.464 2.287 620 HB2 HIS 76 2HB HIS 76 -8.894 -9.886 1.180 621 HB3 HIS 76 1HB HIS 76 -8.142 -9.858 2.770 622 H GLY 77 H GLY 77 -11.676 -12.210 3.676 623 HA2 GLY 77 2HA GLY 77 -11.477 -13.557 5.600 624 HA3 GLY 77 1HA GLY 77 -10.269 -12.445 6.232 625 H GLU 78 H GLU 78 -13.207 -11.195 4.903 626 HA GLU 78 HA GLU 78 -13.838 -9.782 7.283 627 HB2 GLU 78 2HB GLU 78 -15.869 -9.071 6.059 628 HB3 GLU 78 1HB GLU 78 -14.405 -8.869 5.103 629 HG2 GLU 78 2HG GLU 78 -14.898 -10.795 3.799 630 HG3 GLU 78 1HG GLU 78 -16.230 -11.245 4.863 631 H LYS 79 H LYS 79 -14.570 -12.937 6.248 632 HA LYS 79 HA LYS 79 -17.134 -13.136 7.546 633 HB2 LYS 79 2HB LYS 79 -15.433 -15.419 6.549 634 HB3 LYS 79 1HB LYS 79 -17.173 -15.402 6.800 635 HG2 LYS 79 2HG LYS 79 -15.640 -13.920 4.676 636 HG3 LYS 79 1HG LYS 79 -16.701 -15.309 4.453 637 HD2 LYS 79 2HD LYS 79 -18.610 -13.967 5.204 638 HD3 LYS 79 1HD LYS 79 -17.540 -12.579 5.429 639 HE2 LYS 79 2HE LYS 79 -16.954 -12.731 3.013 640 HE3 LYS 79 1HE LYS 79 -18.181 -13.984 2.841 641 HZ1 LYS 79 3HZ LYS 79 -19.843 -12.375 3.595 642 HZ2 LYS 79 1HZ LYS 79 -19.052 -11.852 2.189 643 HZ3 LYS 79 2HZ LYS 79 -18.648 -11.173 3.685 644 H ALA 80 H ALA 80 -13.906 -13.332 8.531 645 HA ALA 80 HA ALA 80 -14.707 -14.741 10.987 646 HB1 ALA 80 3HB ALA 80 -12.530 -15.805 11.097 647 HB2 ALA 80 1HB ALA 80 -12.046 -15.014 9.598 648 HB3 ALA 80 2HB ALA 80 -13.335 -16.217 9.585 649 H LEU 81 H LEU 81 -14.835 -13.118 12.420 650 HA LEU 81 HA LEU 81 -13.001 -10.898 12.340 651 HG LEU 81 HG LEU 81 -14.865 -9.287 12.311 652 HB2 LEU 81 2HB LEU 81 -15.262 -11.624 14.183 653 HB3 LEU 81 1HB LEU 81 -14.191 -10.282 14.529 654 HD11 LEU 81 1HD1 LEU 81 -15.677 -11.294 11.214 655 HD12 LEU 81 2HD1 LEU 81 -16.959 -10.085 11.310 656 HD13 LEU 81 3HD1 LEU 81 -16.955 -11.458 12.417 657 HD21 LEU 81 3HD2 LEU 81 -15.791 -8.500 14.417 658 HD22 LEU 81 1HD2 LEU 81 -17.035 -9.748 14.351 659 HD23 LEU 81 2HD2 LEU 81 -17.011 -8.462 13.144 660 H LYS 82 H LYS 82 -11.095 -12.224 12.550 661 HA LYS 82 HA LYS 82 -10.507 -13.388 15.124 662 HB2 LYS 82 2HB LYS 82 -9.580 -14.274 12.990 663 HB3 LYS 82 1HB LYS 82 -8.696 -12.773 12.776 664 HG2 LYS 82 2HG LYS 82 -7.323 -13.238 14.678 665 HG3 LYS 82 1HG LYS 82 -8.301 -14.645 15.098 666 HD2 LYS 82 2HD LYS 82 -6.730 -14.333 12.540 667 HD3 LYS 82 1HD LYS 82 -6.188 -15.246 13.953 668 HE2 LYS 82 2HE LYS 82 -8.081 -16.748 13.743 669 HE3 LYS 82 1HE LYS 82 -8.721 -15.798 12.402 670 HZ1 LYS 82 3HZ LYS 82 -6.903 -16.429 11.043 671 HZ2 LYS 82 1HZ LYS 82 -7.500 -17.850 11.750 672 HZ3 LYS 82 2HZ LYS 82 -6.076 -17.142 12.340 673 H VAL 83 H VAL 83 -8.550 -12.586 16.380 674 HA VAL 83 HA VAL 83 -8.961 -10.018 17.297 675 HB VAL 83 HB VAL 83 -7.708 -11.718 18.548 676 HG11 VAL 83 1HG1 VAL 83 -5.315 -12.078 18.092 677 HG12 VAL 83 2HG1 VAL 83 -5.474 -11.133 16.611 678 HG13 VAL 83 3HG1 VAL 83 -6.348 -12.654 16.785 679 HG21 VAL 83 3HG2 VAL 83 -5.998 -10.229 19.510 680 HG22 VAL 83 1HG2 VAL 83 -7.541 -9.411 19.257 681 HG23 VAL 83 2HG2 VAL 83 -6.205 -9.137 18.140 682 H THR 84 H THR 84 -6.891 -11.057 14.677 683 HA THR 84 HA THR 84 -5.444 -8.636 14.382 684 HB THR 84 HB THR 84 -5.951 -10.565 12.138 685 HG1 THR 84 HG1 THR 84 -4.077 -10.972 14.262 686 HG21 THR 84 3HG2 THR 84 -4.554 -8.585 11.723 687 HG22 THR 84 1HG2 THR 84 -3.615 -10.074 11.612 688 HG23 THR 84 2HG2 THR 84 -3.496 -9.062 13.051 689 H MET 85 H MET 85 -8.578 -9.689 13.381 690 HA MET 85 HA MET 85 -8.826 -7.960 11.119 691 HB2 MET 85 2HB MET 85 -10.706 -9.729 12.635 692 HB3 MET 85 1HB MET 85 -11.345 -8.559 11.490 693 HG2 MET 85 2HG MET 85 -11.113 -10.729 10.454 694 HG3 MET 85 1HG MET 85 -10.013 -9.570 9.709 695 HE1 MET 85 3HE MET 85 -8.086 -13.003 9.514 696 HE2 MET 85 1HE MET 85 -8.729 -11.649 8.586 697 HE3 MET 85 2HE MET 85 -9.832 -12.767 9.389 698 H ILE 86 H ILE 86 -9.304 -7.615 14.509 699 HA ILE 86 HA ILE 86 -11.200 -5.529 14.457 700 HB ILE 86 HB ILE 86 -9.192 -6.338 16.552 701 HG12 ILE 86 2HG1 ILE 86 -11.536 -6.702 17.714 702 HG13 ILE 86 1HG1 ILE 86 -12.104 -6.737 16.046 703 HG21 ILE 86 1HG2 ILE 86 -9.518 -3.933 16.783 704 HG22 ILE 86 2HG2 ILE 86 -10.296 -4.804 18.104 705 HG23 ILE 86 3HG2 ILE 86 -11.266 -4.162 16.778 706 HD11 ILE 86 3HD1 ILE 86 -10.552 -8.562 15.571 707 HD12 ILE 86 1HD1 ILE 86 -11.697 -8.966 16.851 708 HD13 ILE 86 2HD1 ILE 86 -10.034 -8.542 17.257 709 H GLN 87 H GLN 87 -7.738 -5.553 13.985 710 HA GLN 87 HA GLN 87 -7.226 -2.812 14.306 711 HB2 GLN 87 2HB GLN 87 -5.439 -4.475 14.040 712 HB3 GLN 87 1HB GLN 87 -5.945 -4.762 12.382 713 HG2 GLN 87 2HG GLN 87 -5.342 -2.501 11.772 714 HG3 GLN 87 1HG GLN 87 -4.914 -2.140 13.442 715 HE21 GLN 87 1HE2 GLN 87 -3.038 -2.993 14.311 716 HE22 GLN 87 2HE2 GLN 87 -1.775 -3.648 13.315 717 H LYS 88 H LYS 88 -8.425 -4.663 11.557 718 HA LYS 88 HA LYS 88 -8.500 -2.546 9.697 719 HB2 LYS 88 2HB LYS 88 -10.280 -4.987 9.845 720 HB3 LYS 88 1HB LYS 88 -10.060 -3.957 8.437 721 HG2 LYS 88 2HG LYS 88 -7.740 -4.632 8.273 722 HG3 LYS 88 1HG LYS 88 -7.905 -5.611 9.735 723 HD2 LYS 88 2HD LYS 88 -9.568 -7.006 8.624 724 HD3 LYS 88 1HD LYS 88 -9.443 -6.016 7.167 725 HE2 LYS 88 2HE LYS 88 -7.093 -6.653 6.943 726 HE3 LYS 88 1HE LYS 88 -7.216 -7.638 8.399 727 HZ1 LYS 88 3HZ LYS 88 -7.404 -8.949 6.349 728 HZ2 LYS 88 1HZ LYS 88 -8.791 -8.075 5.913 729 HZ3 LYS 88 2HZ LYS 88 -8.806 -9.054 7.293 730 H TYR 89 H TYR 89 -10.685 -3.619 12.212 731 HA TYR 89 HA TYR 89 -12.891 -2.033 11.253 732 HD1 TYR 89 HD2 TYR 89 -13.698 -3.724 10.345 733 HD2 TYR 89 HD1 TYR 89 -13.083 -5.796 14.010 734 HE1 TYR 89 HE2 TYR 89 -14.052 -5.862 9.187 735 HE2 TYR 89 HE1 TYR 89 -13.436 -7.940 12.859 736 HH TYR 89 HH TYR 89 -14.568 -8.775 10.807 737 HB2 TYR 89 2HB TYR 89 -12.609 -3.495 13.888 738 HB3 TYR 89 1HB TYR 89 -14.101 -2.865 13.198 739 H ARG 90 H ARG 90 -10.346 -1.660 13.640 740 HA ARG 90 HA ARG 90 -11.571 0.595 14.920 741 HE ARG 90 HE ARG 90 -6.996 1.271 16.229 742 HB2 ARG 90 2HB ARG 90 -9.380 0.926 16.014 743 HB3 ARG 90 1HB ARG 90 -9.952 -0.728 16.163 744 HG2 ARG 90 2HG ARG 90 -8.462 -1.385 14.321 745 HG3 ARG 90 1HG ARG 90 -7.866 0.270 14.238 746 HD2 ARG 90 2HD ARG 90 -7.724 -1.388 16.740 747 HD3 ARG 90 1HD ARG 90 -6.447 -1.384 15.526 748 HH11 ARG 90 1HH1 ARG 90 -5.676 -1.629 17.669 749 HH12 ARG 90 2HH1 ARG 90 -4.610 -0.774 18.740 750 HH21 ARG 90 1HH2 ARG 90 -5.599 2.406 17.603 751 HH22 ARG 90 2HH2 ARG 90 -4.562 1.537 18.694 752 H GLN 91 H GLN 91 -9.438 0.124 12.192 753 HA GLN 91 HA GLN 91 -9.082 3.011 11.897 754 HB2 GLN 91 2HB GLN 91 -7.207 1.337 11.508 755 HB3 GLN 91 1HB GLN 91 -8.077 0.828 10.068 756 HG2 GLN 91 2HG GLN 91 -7.924 3.159 9.225 757 HG3 GLN 91 1HG GLN 91 -6.920 3.552 10.619 758 HE21 GLN 91 1HE2 GLN 91 -5.125 4.052 9.397 759 HE22 GLN 91 2HE2 GLN 91 -4.206 2.860 8.543 760 H LEU 92 H LEU 92 -11.414 0.837 11.222 761 HA LEU 92 HA LEU 92 -11.991 1.231 8.496 762 HG LEU 92 HG LEU 92 -12.752 -1.199 8.385 763 HB2 LEU 92 2HB LEU 92 -13.056 -0.265 10.619 764 HB3 LEU 92 1HB LEU 92 -14.372 0.736 10.041 765 HD11 LEU 92 1HD1 LEU 92 -14.867 -2.418 8.207 766 HD12 LEU 92 2HD1 LEU 92 -15.623 -1.256 9.297 767 HD13 LEU 92 3HD1 LEU 92 -14.322 -2.294 9.881 768 HD21 LEU 92 3HD2 LEU 92 -13.398 0.765 7.084 769 HD22 LEU 92 1HD2 LEU 92 -15.073 0.551 7.589 770 HD23 LEU 92 2HD2 LEU 92 -14.296 -0.665 6.577 771 H HIS 93 H HIS 93 -12.558 3.008 7.542 772 HA HIS 93 HA HIS 93 -14.746 4.611 8.633 773 HD1 HIS 93 HD1 HIS 93 -14.219 7.399 10.182 774 HD2 HIS 93 HD2 HIS 93 -10.783 5.061 9.956 775 HE1 HIS 93 HE1 HIS 93 -13.131 7.568 12.444 776 HE2 HIS 93 HE2 HIS 93 -11.139 6.025 12.337 777 HB2 HIS 93 2HB HIS 93 -12.138 5.753 7.576 778 HB3 HIS 93 1HB HIS 93 -13.602 6.701 7.797 779 H HIS 94 H HIS 94 -15.904 5.757 6.891 780 HA HIS 94 HA HIS 94 -16.034 4.277 4.474 781 HD1 HIS 94 HD1 HIS 94 -19.310 4.372 3.948 782 HD2 HIS 94 HD2 HIS 94 -16.981 7.160 1.911 783 HE1 HIS 94 HE1 HIS 94 -20.147 4.356 1.577 784 HE2 HIS 94 HE2 HIS 94 -18.606 5.905 0.331 785 HB2 HIS 94 2HB HIS 94 -17.864 5.760 5.490 786 HB3 HIS 94 1HB HIS 94 -16.996 7.123 4.796 787 H HIS 95 H HIS 95 -14.676 7.424 5.303 788 HA HIS 95 HA HIS 95 -12.323 6.874 3.816 789 HD1 HIS 95 HD1 HIS 95 -12.425 10.984 2.116 790 HD2 HIS 95 HD2 HIS 95 -10.826 7.189 1.552 791 HE1 HIS 95 HE1 HIS 95 -10.137 11.346 1.134 792 HE2 HIS 95 HE2 HIS 95 -9.097 9.043 1.076 793 HB2 HIS 95 2HB HIS 95 -13.762 7.671 1.945 794 HB3 HIS 95 1HB HIS 95 -13.998 9.192 2.807 Start of MODEL 5 1 HA MET 1 HA MET 1 -2.302 9.862 17.875 2 H1 MET 1 1H MET 1 -0.924 11.424 19.066 3 H2 MET 1 2H MET 1 -0.981 11.833 17.418 4 H3 MET 1 3H MET 1 0.389 11.082 18.057 5 HB2 MET 1 2HB MET 1 -1.406 8.464 16.120 6 HB3 MET 1 1HB MET 1 -1.145 10.146 15.682 7 HG2 MET 1 2HG MET 1 1.167 10.003 16.336 8 HG3 MET 1 1HG MET 1 0.933 8.354 16.912 9 HE1 MET 1 3HE MET 1 2.926 7.402 15.491 10 HE2 MET 1 1HE MET 1 3.283 9.045 14.961 11 HE3 MET 1 2HE MET 1 3.158 7.745 13.775 12 H TYR 2 H TYR 2 0.654 9.988 19.483 13 HA TYR 2 HA TYR 2 0.208 7.768 21.139 14 HD1 TYR 2 HD2 TYR 2 -0.627 5.415 19.964 15 HD2 TYR 2 HD1 TYR 2 3.504 5.547 20.959 16 HE1 TYR 2 HE2 TYR 2 -0.837 3.242 21.095 17 HE2 TYR 2 HE1 TYR 2 3.305 3.374 22.090 18 HH TYR 2 HH TYR 2 1.605 1.971 23.120 19 HB2 TYR 2 2HB TYR 2 1.074 6.878 18.718 20 HB3 TYR 2 1HB TYR 2 2.616 7.168 19.516 21 H LEU 3 H LEU 3 3.144 8.949 19.552 22 HA LEU 3 HA LEU 3 4.080 10.125 22.050 23 HG LEU 3 HG LEU 3 6.072 8.622 22.011 24 HB2 LEU 3 2HB LEU 3 5.364 9.806 19.330 25 HB3 LEU 3 1HB LEU 3 6.096 10.739 20.618 26 HD11 LEU 3 1HD1 LEU 3 5.496 7.350 19.339 27 HD12 LEU 3 2HD1 LEU 3 4.415 7.371 20.731 28 HD13 LEU 3 3HD1 LEU 3 5.944 6.500 20.819 29 HD21 LEU 3 3HD2 LEU 3 8.098 9.477 20.990 30 HD22 LEU 3 1HD2 LEU 3 7.701 8.670 19.473 31 HD23 LEU 3 2HD2 LEU 3 8.070 7.716 20.910 32 H LYS 4 H LYS 4 5.249 12.394 21.511 33 HA LYS 4 HA LYS 4 3.058 14.106 20.668 34 HB2 LYS 4 2HB LYS 4 5.681 14.613 22.030 35 HB3 LYS 4 1HB LYS 4 4.789 15.944 21.309 36 HG2 LYS 4 2HG LYS 4 4.229 15.875 23.608 37 HG3 LYS 4 1HG LYS 4 2.831 15.288 22.712 38 HD2 LYS 4 2HD LYS 4 3.523 12.973 23.205 39 HD3 LYS 4 1HD LYS 4 4.873 13.599 24.156 40 HE2 LYS 4 2HE LYS 4 3.223 14.787 25.590 41 HE3 LYS 4 1HE LYS 4 1.931 13.988 24.692 42 HZ1 LYS 4 3HZ LYS 4 4.053 12.614 26.256 43 HZ2 LYS 4 1HZ LYS 4 2.792 11.852 25.410 44 HZ3 LYS 4 2HZ LYS 4 2.444 12.829 26.753 45 H ARG 5 H ARG 5 5.529 12.600 19.122 46 HA ARG 5 HA ARG 5 5.368 14.504 16.898 47 HE ARG 5 HE ARG 5 10.210 12.969 17.508 48 HB2 ARG 5 2HB ARG 5 7.559 14.800 18.025 49 HB3 ARG 5 1HB ARG 5 7.894 13.089 17.787 50 HG2 ARG 5 2HG ARG 5 7.690 13.485 15.323 51 HG3 ARG 5 1HG ARG 5 7.600 15.212 15.675 52 HD2 ARG 5 2HD ARG 5 9.870 14.532 15.073 53 HD3 ARG 5 1HD ARG 5 9.792 15.122 16.736 54 HH11 ARG 5 1HH1 ARG 5 9.857 12.965 14.014 55 HH12 ARG 5 2HH1 ARG 5 10.534 11.378 13.834 56 HH21 ARG 5 1HH2 ARG 5 11.102 10.888 17.257 57 HH22 ARG 5 2HH2 ARG 5 11.231 10.198 15.655 58 H VAL 6 H VAL 6 5.277 13.545 14.877 59 HA VAL 6 HA VAL 6 4.677 10.702 14.870 60 HB VAL 6 HB VAL 6 4.565 12.684 12.587 61 HG11 VAL 6 1HG1 VAL 6 3.422 9.901 12.827 62 HG12 VAL 6 2HG1 VAL 6 4.788 10.381 11.819 63 HG13 VAL 6 3HG1 VAL 6 3.177 11.007 11.473 64 HG21 VAL 6 3HG2 VAL 6 3.012 13.302 14.349 65 HG22 VAL 6 1HG2 VAL 6 2.363 11.662 14.379 66 HG23 VAL 6 2HG2 VAL 6 2.137 12.674 12.952 67 H ASP 7 H ASP 7 6.609 9.658 15.104 68 HA ASP 7 HA ASP 7 8.813 10.197 13.314 69 HB2 ASP 7 2HB ASP 7 9.109 9.347 15.682 70 HB3 ASP 7 1HB ASP 7 8.459 7.805 15.137 71 H GLY 8 H GLY 8 8.975 9.398 11.327 72 HA2 GLY 8 2HA GLY 8 6.910 7.903 10.151 73 HA3 GLY 8 1HA GLY 8 8.472 8.227 9.419 74 HA PRO 9 HA PRO 9 8.266 3.813 11.489 75 HB2 PRO 9 2HB PRO 9 5.871 2.954 10.017 76 HB3 PRO 9 1HB PRO 9 6.277 2.727 11.721 77 HG2 PRO 9 2HG PRO 9 4.338 4.420 10.945 78 HG3 PRO 9 1HG PRO 9 5.373 4.757 12.347 79 HD2 PRO 9 2HD PRO 9 5.542 5.852 9.559 80 HD3 PRO 9 1HD PRO 9 5.730 6.694 11.112 81 H ARG 10 H ARG 10 9.778 2.776 10.367 82 HA ARG 10 HA ARG 10 9.697 2.939 7.450 83 HE ARG 10 HE ARG 10 13.533 4.200 6.617 84 HB2 ARG 10 2HB ARG 10 11.933 2.055 9.281 85 HB3 ARG 10 1HB ARG 10 12.054 2.280 7.540 86 HG2 ARG 10 2HG ARG 10 11.526 4.662 7.824 87 HG3 ARG 10 1HG ARG 10 11.471 4.425 9.571 88 HD2 ARG 10 2HD ARG 10 13.614 5.308 9.035 89 HD3 ARG 10 1HD ARG 10 13.828 3.609 9.448 90 HH11 ARG 10 1HH1 ARG 10 15.676 3.524 9.306 91 HH12 ARG 10 2HH1 ARG 10 17.060 3.226 8.287 92 HH21 ARG 10 1HH2 ARG 10 15.353 3.829 5.285 93 HH22 ARG 10 2HH2 ARG 10 16.869 3.387 6.011 94 H GLN 11 H GLN 11 8.963 0.772 9.920 95 HA GLN 11 HA GLN 11 8.472 -1.289 7.954 96 HB2 GLN 11 2HB GLN 11 9.608 -3.064 9.130 97 HB3 GLN 11 1HB GLN 11 10.765 -1.792 8.769 98 HG2 GLN 11 2HG GLN 11 10.609 -0.984 11.058 99 HG3 GLN 11 1HG GLN 11 9.419 -2.233 11.422 100 HE21 GLN 11 1HE2 GLN 11 10.632 -3.233 12.985 101 HE22 GLN 11 2HE2 GLN 11 12.088 -4.110 12.636 102 H VAL 12 H VAL 12 6.739 -2.540 8.448 103 HA VAL 12 HA VAL 12 5.583 -2.297 11.138 104 HB VAL 12 HB VAL 12 3.309 -2.271 10.124 105 HG11 VAL 12 1HG1 VAL 12 4.299 -0.212 10.949 106 HG12 VAL 12 2HG1 VAL 12 3.326 0.110 9.514 107 HG13 VAL 12 3HG1 VAL 12 5.087 0.054 9.394 108 HG21 VAL 12 3HG2 VAL 12 3.861 -3.185 7.936 109 HG22 VAL 12 1HG2 VAL 12 4.798 -1.739 7.554 110 HG23 VAL 12 2HG2 VAL 12 3.051 -1.626 7.776 111 H THR 13 H THR 13 4.171 -4.055 11.724 112 HA THR 13 HA THR 13 5.079 -6.549 10.514 113 HB THR 13 HB THR 13 3.513 -6.209 13.078 114 HG1 THR 13 HG1 THR 13 6.330 -6.563 12.937 115 HG21 THR 13 3HG2 THR 13 4.510 -8.392 13.632 116 HG22 THR 13 1HG2 THR 13 5.282 -8.431 12.046 117 HG23 THR 13 2HG2 THR 13 3.524 -8.472 12.174 118 H LEU 14 H LEU 14 3.762 -7.964 9.511 119 HA LEU 14 HA LEU 14 1.034 -7.123 8.938 120 HG LEU 14 HG LEU 14 2.340 -8.354 5.671 121 HB2 LEU 14 2HB LEU 14 2.714 -9.413 7.910 122 HB3 LEU 14 1HB LEU 14 1.041 -9.175 7.461 123 HD11 LEU 14 1HD1 LEU 14 1.515 -5.966 7.301 124 HD12 LEU 14 2HD1 LEU 14 0.447 -6.941 6.293 125 HD13 LEU 14 3HD1 LEU 14 1.755 -6.017 5.553 126 HD21 LEU 14 3HD2 LEU 14 4.454 -8.175 6.937 127 HD22 LEU 14 1HD2 LEU 14 3.884 -6.646 7.603 128 HD23 LEU 14 2HD2 LEU 14 4.147 -6.811 5.867 129 HA PRO 15 HA PRO 15 -0.867 -10.236 11.600 130 HB2 PRO 15 2HB PRO 15 -2.905 -10.694 9.552 131 HB3 PRO 15 1HB PRO 15 -3.088 -9.982 11.156 132 HG2 PRO 15 2HG PRO 15 -3.330 -8.536 8.880 133 HG3 PRO 15 1HG PRO 15 -2.722 -7.848 10.398 134 HD2 PRO 15 2HD PRO 15 -1.197 -8.758 7.981 135 HD3 PRO 15 1HD PRO 15 -0.936 -7.335 9.012 136 H ASP 16 H ASP 16 0.127 -10.642 8.366 137 HA ASP 16 HA ASP 16 -0.209 -13.466 8.126 138 HB2 ASP 16 2HB ASP 16 1.749 -11.716 6.620 139 HB3 ASP 16 1HB ASP 16 1.068 -13.250 6.098 140 H GLY 17 H GLY 17 1.925 -11.464 9.827 141 HA2 GLY 17 2HA GLY 17 3.585 -12.226 11.322 142 HA3 GLY 17 1HA GLY 17 3.687 -13.724 10.407 143 H THR 18 H THR 18 3.614 -11.248 8.254 144 HA THR 18 HA THR 18 6.447 -11.501 7.694 145 HB THR 18 HB THR 18 4.592 -9.797 6.078 146 HG1 THR 18 HG1 THR 18 4.610 -12.615 5.760 147 HG21 THR 18 3HG2 THR 18 5.834 -10.790 4.214 148 HG22 THR 18 1HG2 THR 18 6.726 -11.806 5.345 149 HG23 THR 18 2HG2 THR 18 6.925 -10.054 5.387 150 H VAL 19 H VAL 19 7.613 -9.465 6.973 151 HA VAL 19 HA VAL 19 6.859 -7.144 8.623 152 HB VAL 19 HB VAL 19 9.627 -8.000 7.739 153 HG11 VAL 19 1HG1 VAL 19 10.436 -6.083 9.052 154 HG12 VAL 19 2HG1 VAL 19 8.769 -5.579 9.329 155 HG13 VAL 19 3HG1 VAL 19 9.432 -5.574 7.693 156 HG21 VAL 19 3HG2 VAL 19 8.356 -7.866 10.473 157 HG22 VAL 19 1HG2 VAL 19 10.052 -8.225 10.155 158 HG23 VAL 19 2HG2 VAL 19 8.798 -9.328 9.588 159 H LEU 20 H LEU 20 6.345 -5.370 7.558 160 HA LEU 20 HA LEU 20 7.042 -5.190 4.700 161 HG LEU 20 HG LEU 20 5.245 -2.516 4.484 162 HB2 LEU 20 2HB LEU 20 4.674 -5.427 4.989 163 HB3 LEU 20 1HB LEU 20 4.638 -4.194 6.228 164 HD11 LEU 20 1HD1 LEU 20 6.299 -4.039 2.893 165 HD12 LEU 20 2HD1 LEU 20 4.991 -3.126 2.143 166 HD13 LEU 20 3HD1 LEU 20 4.740 -4.811 2.600 167 HD21 LEU 20 3HD2 LEU 20 2.741 -4.111 3.970 168 HD22 LEU 20 1HD2 LEU 20 3.022 -2.436 3.499 169 HD23 LEU 20 2HD2 LEU 20 2.937 -2.870 5.208 170 H SER 21 H SER 21 8.715 -3.835 4.490 171 HA SER 21 HA SER 21 8.826 -1.481 6.230 172 HG SER 21 HG SER 21 10.533 -3.378 3.753 173 HB2 SER 21 2HB SER 21 11.149 -1.278 5.572 174 HB3 SER 21 1HB SER 21 10.845 -2.938 6.063 175 H ARG 22 H ARG 22 9.708 0.545 5.092 176 HA ARG 22 HA ARG 22 7.874 1.198 3.009 177 HE ARG 22 HE ARG 22 8.824 5.442 3.336 178 HB2 ARG 22 2HB ARG 22 10.162 2.760 4.213 179 HB3 ARG 22 1HB ARG 22 9.092 3.404 2.974 180 HG2 ARG 22 2HG ARG 22 7.172 2.913 4.528 181 HG3 ARG 22 1HG ARG 22 8.375 2.564 5.770 182 HD2 ARG 22 2HD ARG 22 7.509 4.868 5.911 183 HD3 ARG 22 1HD ARG 22 9.247 4.818 5.609 184 HH11 ARG 22 1HH1 ARG 22 6.041 5.718 5.471 185 HH12 ARG 22 2HH1 ARG 22 5.179 6.773 4.391 186 HH21 ARG 22 1HH2 ARG 22 7.671 6.811 1.933 187 HH22 ARG 22 2HH2 ARG 22 6.083 7.368 2.382 188 H ALA 23 H ALA 23 10.800 -0.385 2.973 189 HA ALA 23 HA ALA 23 11.509 0.452 0.275 190 HB1 ALA 23 3HB ALA 23 13.422 -1.030 0.519 191 HB2 ALA 23 1HB ALA 23 12.780 -1.634 2.046 192 HB3 ALA 23 2HB ALA 23 13.297 0.048 1.910 193 H ASP 24 H ASP 24 9.421 -1.712 1.740 194 HA ASP 24 HA ASP 24 9.603 -3.751 -0.336 195 HB2 ASP 24 2HB ASP 24 7.873 -3.497 2.123 196 HB3 ASP 24 1HB ASP 24 7.646 -4.768 0.929 197 H LEU 25 H LEU 25 8.223 -0.783 -0.010 198 HA LEU 25 HA LEU 25 5.676 -1.188 -1.184 199 HG LEU 25 HG LEU 25 6.263 0.558 1.103 200 HB2 LEU 25 2HB LEU 25 7.484 1.201 -0.962 201 HB3 LEU 25 1HB LEU 25 5.955 1.278 -1.814 202 HD11 LEU 25 1HD1 LEU 25 5.365 2.764 1.555 203 HD12 LEU 25 2HD1 LEU 25 5.297 3.118 -0.170 204 HD13 LEU 25 3HD1 LEU 25 6.856 2.898 0.624 205 HD21 LEU 25 3HD2 LEU 25 3.809 1.126 -0.556 206 HD22 LEU 25 1HD2 LEU 25 3.838 0.807 1.179 207 HD23 LEU 25 2HD2 LEU 25 4.307 -0.455 0.041 208 HA PRO 26 HA PRO 26 6.836 -2.143 -5.343 209 HB2 PRO 26 2HB PRO 26 4.484 -1.361 -6.536 210 HB3 PRO 26 1HB PRO 26 4.693 -2.896 -5.690 211 HG2 PRO 26 2HG PRO 26 3.494 -0.340 -4.703 212 HG3 PRO 26 1HG PRO 26 2.922 -2.006 -4.486 213 HD2 PRO 26 2HD PRO 26 4.230 -0.713 -2.538 214 HD3 PRO 26 1HD PRO 26 4.471 -2.451 -2.817 215 HA PRO 27 HA PRO 27 8.436 1.617 -6.975 216 HB2 PRO 27 2HB PRO 27 8.454 1.002 -9.656 217 HB3 PRO 27 1HB PRO 27 9.667 0.452 -8.497 218 HG2 PRO 27 2HG PRO 27 7.271 -0.989 -9.566 219 HG3 PRO 27 1HG PRO 27 8.916 -1.599 -9.289 220 HD2 PRO 27 2HD PRO 27 6.919 -2.124 -7.578 221 HD3 PRO 27 1HD PRO 27 8.577 -1.832 -7.006 222 H LEU 28 H LEU 28 7.863 3.502 -8.070 223 HA LEU 28 HA LEU 28 5.063 4.026 -8.158 224 HG LEU 28 HG LEU 28 7.715 5.271 -6.785 225 HB2 LEU 28 2HB LEU 28 7.330 5.753 -9.150 226 HB3 LEU 28 1HB LEU 28 5.699 6.286 -8.790 227 HD11 LEU 28 1HD1 LEU 28 6.585 8.026 -7.247 228 HD12 LEU 28 2HD1 LEU 28 8.225 7.500 -7.625 229 HD13 LEU 28 3HD1 LEU 28 7.683 7.560 -5.948 230 HD21 LEU 28 3HD2 LEU 28 5.462 4.636 -6.143 231 HD22 LEU 28 1HD2 LEU 28 4.909 6.294 -6.383 232 HD23 LEU 28 2HD2 LEU 28 6.065 5.926 -5.103 233 H ASP 29 H ASP 29 7.362 3.010 -10.472 234 HA ASP 29 HA ASP 29 5.964 4.001 -12.786 235 HB2 ASP 29 2HB ASP 29 8.487 3.517 -12.557 236 HB3 ASP 29 1HB ASP 29 8.055 1.829 -12.797 237 H THR 30 H THR 30 5.069 1.781 -10.657 238 HA THR 30 HA THR 30 4.323 -0.365 -12.437 239 HB THR 30 HB THR 30 3.619 0.105 -9.534 240 HG1 THR 30 HG1 THR 30 5.740 -0.324 -9.548 241 HG21 THR 30 3HG2 THR 30 1.988 -1.350 -10.602 242 HG22 THR 30 1HG2 THR 30 3.017 -2.282 -9.512 243 HG23 THR 30 2HG2 THR 30 3.285 -2.353 -11.253 244 H ARG 31 H ARG 31 2.810 0.297 -13.896 245 HA ARG 31 HA ARG 31 0.247 1.150 -12.747 246 HE ARG 31 HE ARG 31 2.750 3.400 -15.728 247 HB2 ARG 31 2HB ARG 31 1.479 1.561 -15.438 248 HB3 ARG 31 1HB ARG 31 -0.270 1.444 -15.328 249 HG2 ARG 31 2HG ARG 31 0.296 3.744 -15.253 250 HG3 ARG 31 1HG ARG 31 -0.208 3.278 -13.630 251 HD2 ARG 31 2HD ARG 31 1.696 4.607 -13.312 252 HD3 ARG 31 1HD ARG 31 2.269 2.949 -13.136 253 HH11 ARG 31 1HH1 ARG 31 3.484 5.269 -12.861 254 HH12 ARG 31 2HH1 ARG 31 4.837 6.091 -13.577 255 HH21 ARG 31 1HH2 ARG 31 4.549 4.468 -16.675 256 HH22 ARG 31 2HH2 ARG 31 5.452 5.623 -15.737 257 H ARG 32 H ARG 32 -1.659 0.193 -14.052 258 HA ARG 32 HA ARG 32 -2.907 -1.640 -14.600 259 HE ARG 32 HE ARG 32 -3.013 -6.183 -16.834 260 HB2 ARG 32 2HB ARG 32 -1.143 -2.356 -16.183 261 HB3 ARG 32 1HB ARG 32 -0.288 -3.141 -14.859 262 HG2 ARG 32 2HG ARG 32 -2.281 -4.589 -14.526 263 HG3 ARG 32 1HG ARG 32 -2.975 -3.886 -15.987 264 HD2 ARG 32 2HD ARG 32 -0.990 -4.635 -17.250 265 HD3 ARG 32 1HD ARG 32 -0.381 -5.411 -15.789 266 HH11 ARG 32 1HH1 ARG 32 0.336 -6.976 -16.163 267 HH12 ARG 32 2HH1 ARG 32 0.124 -8.679 -16.436 268 HH21 ARG 32 1HH2 ARG 32 -3.296 -8.425 -17.199 269 HH22 ARG 32 2HH2 ARG 32 -1.940 -9.503 -17.060 270 H TRP 33 H TRP 33 -0.089 -2.581 -12.677 271 HA TRP 33 HA TRP 33 0.138 -3.268 -10.534 272 HD1 TRP 33 HD1 TRP 33 -2.063 -0.015 -11.238 273 HE1 TRP 33 HE1 TRP 33 -0.853 1.913 -10.036 274 HE3 TRP 33 HE3 TRP 33 -0.113 -2.627 -7.312 275 HZ2 TRP 33 HZ2 TRP 33 0.714 2.266 -7.717 276 HZ3 TRP 33 HZ3 TRP 33 1.225 -1.423 -5.641 277 HH2 TRP 33 HH2 TRP 33 1.630 0.972 -5.841 278 HB2 TRP 33 2HB TRP 33 -2.764 -2.481 -10.379 279 HB3 TRP 33 1HB TRP 33 -1.877 -3.129 -9.004 280 H VAL 34 H VAL 34 -0.245 -5.018 -9.140 281 HA VAL 34 HA VAL 34 -2.065 -7.093 -10.105 282 HB VAL 34 HB VAL 34 -0.387 -8.833 -9.502 283 HG11 VAL 34 1HG1 VAL 34 -0.670 -8.245 -11.828 284 HG12 VAL 34 2HG1 VAL 34 1.038 -8.540 -11.508 285 HG13 VAL 34 3HG1 VAL 34 0.441 -6.886 -11.658 286 HG21 VAL 34 3HG2 VAL 34 1.519 -6.502 -9.322 287 HG22 VAL 34 1HG2 VAL 34 1.968 -8.207 -9.273 288 HG23 VAL 34 2HG2 VAL 34 0.988 -7.515 -7.981 289 H ALA 35 H ALA 35 -2.469 -8.726 -8.331 290 HA ALA 35 HA ALA 35 -3.586 -7.339 -6.189 291 HB1 ALA 35 3HB ALA 35 -4.153 -9.500 -5.262 292 HB2 ALA 35 1HB ALA 35 -2.981 -10.284 -6.324 293 HB3 ALA 35 2HB ALA 35 -4.404 -9.498 -7.008 294 H SER 36 H SER 36 -0.567 -9.187 -6.322 295 HA SER 36 HA SER 36 0.019 -9.211 -3.599 296 HG SER 36 HG SER 36 2.847 -9.339 -6.503 297 HB2 SER 36 2HB SER 36 2.417 -9.444 -4.393 298 HB3 SER 36 1HB SER 36 1.272 -10.602 -5.074 299 H ARG 37 H ARG 37 0.944 -6.823 -6.060 300 HA ARG 37 HA ARG 37 2.420 -5.171 -4.276 301 HE ARG 37 HE ARG 37 5.490 -5.694 -8.133 302 HB2 ARG 37 2HB ARG 37 1.184 -4.492 -6.947 303 HB3 ARG 37 1HB ARG 37 2.358 -3.505 -6.083 304 HG2 ARG 37 2HG ARG 37 3.930 -5.452 -6.197 305 HG3 ARG 37 1HG ARG 37 2.771 -6.233 -7.270 306 HD2 ARG 37 2HD ARG 37 2.953 -4.367 -8.833 307 HD3 ARG 37 1HD ARG 37 4.104 -3.576 -7.754 308 HH11 ARG 37 1HH1 ARG 37 3.321 -4.330 -10.514 309 HH12 ARG 37 2HH1 ARG 37 4.222 -4.912 -11.876 310 HH21 ARG 37 1HH2 ARG 37 6.689 -6.467 -9.911 311 HH22 ARG 37 2HH2 ARG 37 6.145 -6.139 -11.533 312 H LYS 38 H LYS 38 -0.907 -5.117 -5.451 313 HA LYS 38 HA LYS 38 -1.677 -2.698 -4.239 314 HB2 LYS 38 2HB LYS 38 -3.272 -5.146 -4.985 315 HB3 LYS 38 1HB LYS 38 -4.012 -3.698 -4.317 316 HG2 LYS 38 2HG LYS 38 -3.020 -2.413 -6.217 317 HG3 LYS 38 1HG LYS 38 -2.515 -3.953 -6.914 318 HD2 LYS 38 2HD LYS 38 -4.786 -4.681 -7.125 319 HD3 LYS 38 1HD LYS 38 -5.370 -3.292 -6.204 320 HE2 LYS 38 2HE LYS 38 -4.504 -1.804 -7.982 321 HE3 LYS 38 1HE LYS 38 -4.037 -3.227 -8.909 322 HZ1 LYS 38 3HZ LYS 38 -6.186 -2.220 -9.564 323 HZ2 LYS 38 1HZ LYS 38 -6.820 -2.666 -8.061 324 HZ3 LYS 38 2HZ LYS 38 -6.300 -3.859 -9.148 325 H ALA 39 H ALA 39 -1.684 -6.028 -3.053 326 HA ALA 39 HA ALA 39 -2.926 -5.545 -0.580 327 HB1 ALA 39 3HB ALA 39 -2.629 -7.786 -1.511 328 HB2 ALA 39 1HB ALA 39 -1.973 -7.673 0.121 329 HB3 ALA 39 2HB ALA 39 -0.886 -7.658 -1.267 330 H ALA 40 H ALA 40 0.462 -5.390 -1.572 331 HA ALA 40 HA ALA 40 1.560 -4.969 0.985 332 HB1 ALA 40 3HB ALA 40 3.529 -4.148 -0.183 333 HB2 ALA 40 1HB ALA 40 2.603 -4.005 -1.676 334 HB3 ALA 40 2HB ALA 40 2.897 -5.594 -0.970 335 H VAL 41 H VAL 41 0.442 -2.695 -1.502 336 HA VAL 41 HA VAL 41 1.180 -0.334 -0.152 337 HB VAL 41 HB VAL 41 -1.032 -0.745 -2.169 338 HG11 VAL 41 1HG1 VAL 41 0.316 1.810 -1.299 339 HG12 VAL 41 2HG1 VAL 41 -1.325 1.326 -0.878 340 HG13 VAL 41 3HG1 VAL 41 -0.907 1.653 -2.561 341 HG21 VAL 41 3HG2 VAL 41 1.814 0.172 -2.508 342 HG22 VAL 41 1HG2 VAL 41 0.595 0.120 -3.779 343 HG23 VAL 41 2HG2 VAL 41 1.148 -1.375 -3.026 344 H VAL 42 H VAL 42 -1.929 -2.086 -0.249 345 HA VAL 42 HA VAL 42 -3.281 -0.191 1.349 346 HB VAL 42 HB VAL 42 -4.488 -1.763 -0.099 347 HG11 VAL 42 1HG1 VAL 42 -4.888 -4.068 0.619 348 HG12 VAL 42 2HG1 VAL 42 -3.722 -3.857 1.924 349 HG13 VAL 42 3HG1 VAL 42 -3.190 -3.777 0.246 350 HG21 VAL 42 3HG2 VAL 42 -5.226 -1.937 2.815 351 HG22 VAL 42 1HG2 VAL 42 -6.304 -2.289 1.465 352 HG23 VAL 42 2HG2 VAL 42 -5.676 -0.655 1.689 353 H LYS 43 H LYS 43 -1.579 -3.205 2.182 354 HA LYS 43 HA LYS 43 -2.282 -3.152 4.924 355 HB2 LYS 43 2HB LYS 43 0.033 -4.462 3.495 356 HB3 LYS 43 1HB LYS 43 -0.284 -4.664 5.212 357 HG2 LYS 43 2HG LYS 43 -2.473 -5.633 4.689 358 HG3 LYS 43 1HG LYS 43 -2.135 -5.453 2.966 359 HD2 LYS 43 2HD LYS 43 -0.202 -6.944 3.196 360 HD3 LYS 43 1HD LYS 43 -0.545 -7.120 4.919 361 HE2 LYS 43 2HE LYS 43 -2.733 -8.094 4.365 362 HE3 LYS 43 1HE LYS 43 -2.355 -7.951 2.649 363 HZ1 LYS 43 3HZ LYS 43 -1.919 -10.169 3.325 364 HZ2 LYS 43 1HZ LYS 43 -0.988 -9.675 4.656 365 HZ3 LYS 43 2HZ LYS 43 -0.416 -9.428 3.078 366 H ALA 44 H ALA 44 0.225 -1.596 3.065 367 HA ALA 44 HA ALA 44 1.896 -0.756 5.159 368 HB1 ALA 44 3HB ALA 44 2.578 -0.596 2.828 369 HB2 ALA 44 1HB ALA 44 2.667 0.986 3.600 370 HB3 ALA 44 2HB ALA 44 1.323 0.603 2.524 371 H VAL 45 H VAL 45 -0.863 0.878 3.612 372 HA VAL 45 HA VAL 45 -0.809 3.153 5.290 373 HB VAL 45 HB VAL 45 -3.198 1.995 3.840 374 HG11 VAL 45 1HG1 VAL 45 -4.071 4.289 3.925 375 HG12 VAL 45 2HG1 VAL 45 -2.681 4.774 4.899 376 HG13 VAL 45 3HG1 VAL 45 -3.841 3.609 5.538 377 HG21 VAL 45 3HG2 VAL 45 -1.178 4.045 2.935 378 HG22 VAL 45 1HG2 VAL 45 -2.648 3.605 2.066 379 HG23 VAL 45 2HG2 VAL 45 -1.370 2.412 2.297 380 H ILE 46 H ILE 46 -2.649 0.131 5.428 381 HA ILE 46 HA ILE 46 -4.323 0.718 7.564 382 HB ILE 46 HB ILE 46 -3.164 -1.930 6.699 383 HG12 ILE 46 2HG1 ILE 46 -5.918 -0.749 6.274 384 HG13 ILE 46 1HG1 ILE 46 -4.615 -0.662 5.092 385 HG21 ILE 46 1HG2 ILE 46 -5.405 -1.401 8.647 386 HG22 ILE 46 2HG2 ILE 46 -3.833 -2.111 9.020 387 HG23 ILE 46 3HG2 ILE 46 -4.971 -2.981 7.992 388 HD11 ILE 46 3HD1 ILE 46 -5.909 -3.175 6.128 389 HD12 ILE 46 1HD1 ILE 46 -4.585 -3.106 4.964 390 HD13 ILE 46 2HD1 ILE 46 -6.163 -2.437 4.543 391 H HIS 47 H HIS 47 -0.988 -0.522 7.632 392 HA HIS 47 HA HIS 47 -1.127 -0.796 10.528 393 HD1 HIS 47 HD1 HIS 47 -1.305 -3.079 11.005 394 HD2 HIS 47 HD2 HIS 47 0.793 -3.801 7.485 395 HE1 HIS 47 HE1 HIS 47 -1.973 -5.388 10.275 396 HE2 HIS 47 HE2 HIS 47 -0.587 -5.853 8.225 397 HB2 HIS 47 2HB HIS 47 1.111 -1.371 8.587 398 HB3 HIS 47 1HB HIS 47 1.217 -1.625 10.326 399 H GLY 48 H GLY 48 -0.513 1.701 8.430 400 HA2 GLY 48 2HA GLY 48 -0.027 3.888 9.105 401 HA3 GLY 48 1HA GLY 48 0.627 3.256 10.609 402 H LEU 49 H LEU 49 1.751 1.722 7.771 403 HA LEU 49 HA LEU 49 4.436 2.581 8.185 404 HG LEU 49 HG LEU 49 5.546 2.119 5.452 405 HB2 LEU 49 2HB LEU 49 3.817 0.386 7.209 406 HB3 LEU 49 1HB LEU 49 3.201 1.210 5.790 407 HD11 LEU 49 1HD1 LEU 49 7.359 0.860 6.505 408 HD12 LEU 49 2HD1 LEU 49 6.182 -0.019 7.478 409 HD13 LEU 49 3HD1 LEU 49 6.384 1.718 7.700 410 HD21 LEU 49 3HD2 LEU 49 6.332 0.063 4.403 411 HD22 LEU 49 1HD2 LEU 49 4.611 0.312 4.104 412 HD23 LEU 49 2HD2 LEU 49 5.136 -0.863 5.308 413 H ILE 50 H ILE 50 1.953 3.265 5.779 414 HA ILE 50 HA ILE 50 3.250 5.849 5.259 415 HB ILE 50 HB ILE 50 2.650 5.787 2.917 416 HG12 ILE 50 2HG1 ILE 50 1.659 2.962 3.326 417 HG13 ILE 50 1HG1 ILE 50 0.600 4.368 3.245 418 HG21 ILE 50 1HG2 ILE 50 4.123 4.033 2.098 419 HG22 ILE 50 2HG2 ILE 50 4.076 3.246 3.675 420 HG23 ILE 50 3HG2 ILE 50 4.814 4.840 3.505 421 HD11 ILE 50 3HD1 ILE 50 0.714 3.171 1.120 422 HD12 ILE 50 1HD1 ILE 50 2.454 3.449 1.059 423 HD13 ILE 50 2HD1 ILE 50 1.339 4.815 0.978 424 H THR 51 H THR 51 1.578 7.350 4.167 425 HA THR 51 HA THR 51 -0.971 6.954 5.537 426 HB THR 51 HB THR 51 0.006 9.064 6.094 427 HG1 THR 51 HG1 THR 51 -2.284 9.029 5.644 428 HG21 THR 51 3HG2 THR 51 0.523 10.777 4.411 429 HG22 THR 51 1HG2 THR 51 0.169 9.613 3.136 430 HG23 THR 51 2HG2 THR 51 1.529 9.340 4.223 431 H GLU 52 H GLU 52 -2.926 7.244 4.472 432 HA GLU 52 HA GLU 52 -3.148 5.897 2.043 433 HB2 GLU 52 2HB GLU 52 -4.888 6.392 3.909 434 HB3 GLU 52 1HB GLU 52 -5.225 7.851 2.988 435 HG2 GLU 52 2HG GLU 52 -5.834 6.538 1.057 436 HG3 GLU 52 1HG GLU 52 -5.397 5.052 1.900 437 H ARG 53 H ARG 53 -3.057 9.352 2.746 438 HA ARG 53 HA ARG 53 -3.736 10.220 0.132 439 HE ARG 53 HE ARG 53 -3.915 14.491 -1.131 440 HB2 ARG 53 2HB ARG 53 -3.692 11.515 2.423 441 HB3 ARG 53 1HB ARG 53 -2.032 11.872 1.971 442 HG2 ARG 53 2HG ARG 53 -4.368 12.470 0.173 443 HG3 ARG 53 1HG ARG 53 -3.770 13.608 1.378 444 HD2 ARG 53 2HD ARG 53 -1.658 13.766 0.295 445 HD3 ARG 53 1HD ARG 53 -2.028 12.406 -0.761 446 HH11 ARG 53 1HH1 ARG 53 -0.582 13.677 -1.808 447 HH12 ARG 53 2HH1 ARG 53 -0.517 14.581 -3.286 448 HH21 ARG 53 1HH2 ARG 53 -3.848 15.681 -3.082 449 HH22 ARG 53 2HH2 ARG 53 -2.372 15.746 -4.004 450 H GLU 54 H GLU 54 -0.755 9.252 1.680 451 HA GLU 54 HA GLU 54 1.026 10.289 -0.269 452 HB2 GLU 54 2HB GLU 54 1.750 9.504 1.995 453 HB3 GLU 54 1HB GLU 54 1.447 7.851 1.476 454 HG2 GLU 54 2HG GLU 54 3.073 8.328 -0.423 455 HG3 GLU 54 1HG GLU 54 3.529 9.763 0.486 456 H ALA 55 H ALA 55 -0.548 7.149 0.183 457 HA ALA 55 HA ALA 55 0.662 5.829 -1.983 458 HB1 ALA 55 3HB ALA 55 -2.074 5.351 -0.807 459 HB2 ALA 55 1HB ALA 55 -0.562 4.666 -0.211 460 HB3 ALA 55 2HB ALA 55 -1.160 4.227 -1.810 461 H LEU 56 H LEU 56 -2.229 7.816 -1.776 462 HA LEU 56 HA LEU 56 -3.130 7.363 -4.426 463 HG LEU 56 HG LEU 56 -4.244 7.767 -1.415 464 HB2 LEU 56 2HB LEU 56 -3.662 9.781 -2.704 465 HB3 LEU 56 1HB LEU 56 -4.636 9.201 -4.041 466 HD11 LEU 56 1HD1 LEU 56 -6.580 9.318 -2.507 467 HD12 LEU 56 2HD1 LEU 56 -5.586 9.731 -1.108 468 HD13 LEU 56 3HD1 LEU 56 -6.624 8.307 -1.064 469 HD21 LEU 56 3HD2 LEU 56 -4.577 6.227 -3.277 470 HD22 LEU 56 1HD2 LEU 56 -6.025 7.109 -3.758 471 HD23 LEU 56 2HD2 LEU 56 -5.983 6.256 -2.214 472 H ASP 57 H ASP 57 -0.872 9.584 -2.986 473 HA ASP 57 HA ASP 57 -0.723 11.329 -5.266 474 HB2 ASP 57 2HB ASP 57 -0.277 12.165 -3.005 475 HB3 ASP 57 1HB ASP 57 1.080 11.057 -2.854 476 H ARG 58 H ARG 58 1.469 8.968 -3.774 477 HA ARG 58 HA ARG 58 3.525 9.405 -5.676 478 HE ARG 58 HE ARG 58 5.001 5.113 -3.805 479 HB2 ARG 58 2HB ARG 58 4.653 7.477 -4.631 480 HB3 ARG 58 1HB ARG 58 4.071 8.635 -3.446 481 HG2 ARG 58 2HG ARG 58 2.149 7.181 -2.987 482 HG3 ARG 58 1HG ARG 58 2.774 6.010 -4.150 483 HD2 ARG 58 2HD ARG 58 4.242 6.954 -1.689 484 HD3 ARG 58 1HD ARG 58 3.318 5.455 -1.795 485 HH11 ARG 58 1HH1 ARG 58 5.601 6.264 -0.548 486 HH12 ARG 58 2HH1 ARG 58 7.260 5.731 -0.537 487 HH21 ARG 58 1HH2 ARG 58 7.169 4.387 -3.789 488 HH22 ARG 58 2HH2 ARG 58 8.149 4.644 -2.377 489 H TYR 59 H TYR 59 0.933 7.020 -5.477 490 HA TYR 59 HA TYR 59 2.030 5.649 -7.819 491 HD1 TYR 59 HD2 TYR 59 2.888 3.445 -7.384 492 HD2 TYR 59 HD1 TYR 59 0.556 4.234 -3.916 493 HE1 TYR 59 HE2 TYR 59 4.538 2.253 -6.010 494 HE2 TYR 59 HE1 TYR 59 2.201 3.042 -2.532 495 HH TYR 59 HH TYR 59 5.231 1.874 -3.877 496 HB2 TYR 59 2HB TYR 59 -0.240 4.912 -5.969 497 HB3 TYR 59 1HB TYR 59 0.253 3.961 -7.366 498 H SER 60 H SER 60 0.108 8.209 -7.284 499 HA SER 60 HA SER 60 -1.531 9.312 -8.381 500 HG SER 60 HG SER 60 -2.547 8.825 -11.231 501 HB2 SER 60 2HB SER 60 0.108 9.048 -10.261 502 HB3 SER 60 1HB SER 60 -0.756 7.593 -10.755 503 H LEU 61 H LEU 61 -2.972 8.180 -6.936 504 HA LEU 61 HA LEU 61 -4.784 6.359 -8.382 505 HG LEU 61 HG LEU 61 -2.296 5.218 -6.958 506 HB2 LEU 61 2HB LEU 61 -4.022 6.230 -5.459 507 HB3 LEU 61 1HB LEU 61 -5.223 5.222 -6.234 508 HD11 LEU 61 1HD1 LEU 61 -2.628 4.428 -4.675 509 HD12 LEU 61 2HD1 LEU 61 -2.193 3.099 -5.747 510 HD13 LEU 61 3HD1 LEU 61 -3.867 3.305 -5.235 511 HD21 LEU 61 3HD2 LEU 61 -4.560 3.360 -7.685 512 HD22 LEU 61 1HD2 LEU 61 -2.866 3.143 -8.125 513 HD23 LEU 61 2HD2 LEU 61 -3.774 4.512 -8.765 514 H SER 62 H SER 62 -6.711 6.194 -6.372 515 HA SER 62 HA SER 62 -7.404 8.887 -5.546 516 HG SER 62 HG SER 62 -7.376 9.080 -7.880 517 HB2 SER 62 2HB SER 62 -9.269 7.223 -7.264 518 HB3 SER 62 1HB SER 62 -9.633 8.800 -6.562 519 H GLU 63 H GLU 63 -9.155 8.875 -3.969 520 HA GLU 63 HA GLU 63 -8.806 6.907 -2.035 521 HB2 GLU 63 2HB GLU 63 -9.682 9.303 -1.823 522 HB3 GLU 63 1HB GLU 63 -11.252 8.641 -2.262 523 HG2 GLU 63 2HG GLU 63 -11.107 7.112 -0.350 524 HG3 GLU 63 1HG GLU 63 -9.579 7.866 0.097 525 H GLU 64 H GLU 64 -11.378 7.327 -4.438 526 HA GLU 64 HA GLU 64 -13.006 5.182 -3.686 527 HB2 GLU 64 2HB GLU 64 -13.787 5.230 -6.069 528 HB3 GLU 64 1HB GLU 64 -13.809 6.795 -5.271 529 HG2 GLU 64 2HG GLU 64 -11.721 7.398 -6.378 530 HG3 GLU 64 1HG GLU 64 -11.687 5.825 -7.173 531 H GLU 65 H GLU 65 -10.118 5.287 -5.677 532 HA GLU 65 HA GLU 65 -10.210 2.610 -6.611 533 HB2 GLU 65 2HB GLU 65 -8.869 4.352 -7.703 534 HB3 GLU 65 1HB GLU 65 -7.878 4.507 -6.262 535 HG2 GLU 65 2HG GLU 65 -6.670 3.263 -7.898 536 HG3 GLU 65 1HG GLU 65 -7.112 2.179 -6.584 537 H PHE 66 H PHE 66 -8.444 4.195 -3.955 538 HA PHE 66 HA PHE 66 -7.179 1.881 -2.971 539 HD1 PHE 66 HD2 PHE 66 -4.670 2.802 -1.782 540 HD2 PHE 66 HD1 PHE 66 -8.059 3.251 0.748 541 HE1 PHE 66 HE2 PHE 66 -3.388 1.863 0.097 542 HE2 PHE 66 HE1 PHE 66 -6.786 2.321 2.631 543 HZ PHE 66 HZ PHE 66 -4.448 1.626 2.308 544 HB2 PHE 66 2HB PHE 66 -6.545 4.230 -2.400 545 HB3 PHE 66 1HB PHE 66 -7.978 4.327 -1.383 546 H ALA 67 H ALA 67 -10.323 3.303 -2.325 547 HA ALA 67 HA ALA 67 -11.132 1.716 -0.176 548 HB1 ALA 67 3HB ALA 67 -12.818 2.772 -2.447 549 HB2 ALA 67 1HB ALA 67 -12.403 3.651 -0.974 550 HB3 ALA 67 2HB ALA 67 -13.416 2.210 -0.886 551 H LEU 68 H LEU 68 -11.208 1.111 -3.652 552 HA LEU 68 HA LEU 68 -12.522 -1.391 -3.517 553 HG LEU 68 HG LEU 68 -12.745 0.989 -5.445 554 HB2 LEU 68 2HB LEU 68 -10.637 -0.280 -5.597 555 HB3 LEU 68 1HB LEU 68 -11.554 -1.761 -5.786 556 HD11 LEU 68 1HD1 LEU 68 -13.389 0.763 -7.785 557 HD12 LEU 68 2HD1 LEU 68 -12.542 -0.780 -7.875 558 HD13 LEU 68 3HD1 LEU 68 -11.637 0.706 -7.599 559 HD21 LEU 68 3HD2 LEU 68 -14.860 -0.118 -6.011 560 HD22 LEU 68 1HD2 LEU 68 -14.172 -0.748 -4.516 561 HD23 LEU 68 2HD2 LEU 68 -14.038 -1.678 -6.008 562 H TRP 69 H TRP 69 -9.120 -0.429 -3.534 563 HA TRP 69 HA TRP 69 -7.925 -2.937 -3.640 564 HD1 TRP 69 HD1 TRP 69 -8.138 -0.820 -5.371 565 HE1 TRP 69 HE1 TRP 69 -6.595 0.030 -7.242 566 HE3 TRP 69 HE3 TRP 69 -3.737 -0.736 -2.778 567 HZ2 TRP 69 HZ2 TRP 69 -3.855 0.634 -7.571 568 HZ3 TRP 69 HZ3 TRP 69 -1.697 -0.013 -3.948 569 HH2 TRP 69 HH2 TRP 69 -1.755 0.656 -6.295 570 HB2 TRP 69 2HB TRP 69 -7.030 -0.418 -2.235 571 HB3 TRP 69 1HB TRP 69 -6.024 -1.852 -2.372 572 H ARG 70 H ARG 70 -8.851 -1.088 -0.723 573 HA ARG 70 HA ARG 70 -8.062 -3.194 1.018 574 HE ARG 70 HE ARG 70 -11.811 1.476 2.117 575 HB2 ARG 70 2HB ARG 70 -9.132 -1.884 2.798 576 HB3 ARG 70 1HB ARG 70 -8.028 -0.930 1.824 577 HG2 ARG 70 2HG ARG 70 -10.029 -0.073 0.574 578 HG3 ARG 70 1HG ARG 70 -11.030 -0.871 1.796 579 HD2 ARG 70 2HD ARG 70 -9.882 0.403 3.548 580 HD3 ARG 70 1HD ARG 70 -8.916 1.212 2.315 581 HH11 ARG 70 1HH1 ARG 70 -8.748 2.863 3.073 582 HH12 ARG 70 2HH1 ARG 70 -9.340 4.488 3.136 583 HH21 ARG 70 1HH2 ARG 70 -12.620 3.627 2.222 584 HH22 ARG 70 2HH2 ARG 70 -11.535 4.926 2.648 585 H SER 71 H SER 71 -10.991 -2.542 -0.714 586 HA SER 71 HA SER 71 -12.580 -4.331 0.889 587 HG SER 71 HG SER 71 -13.919 -1.505 -0.759 588 HB2 SER 71 2HB SER 71 -13.090 -3.116 -1.835 589 HB3 SER 71 1HB SER 71 -14.264 -4.068 -0.928 590 H ALA 72 H ALA 72 -10.431 -4.587 -1.800 591 HA ALA 72 HA ALA 72 -11.327 -7.261 -2.490 592 HB1 ALA 72 3HB ALA 72 -9.612 -7.187 -4.208 593 HB2 ALA 72 1HB ALA 72 -8.985 -5.680 -3.542 594 HB3 ALA 72 2HB ALA 72 -10.596 -5.724 -4.256 595 H VAL 73 H VAL 73 -8.942 -5.761 -0.479 596 HA VAL 73 HA VAL 73 -7.583 -8.345 -0.143 597 HB VAL 73 HB VAL 73 -6.602 -5.601 0.653 598 HG11 VAL 73 1HG1 VAL 73 -5.207 -8.278 0.736 599 HG12 VAL 73 2HG1 VAL 73 -5.758 -7.351 2.134 600 HG13 VAL 73 3HG1 VAL 73 -4.472 -6.718 1.107 601 HG21 VAL 73 3HG2 VAL 73 -6.632 -5.901 -1.765 602 HG22 VAL 73 1HG2 VAL 73 -5.740 -7.414 -1.598 603 HG23 VAL 73 2HG2 VAL 73 -4.975 -5.888 -1.156 604 H ALA 74 H ALA 74 -8.258 -5.531 1.953 605 HA ALA 74 HA ALA 74 -8.048 -7.051 4.328 606 HB1 ALA 74 3HB ALA 74 -9.360 -4.365 3.948 607 HB2 ALA 74 1HB ALA 74 -7.640 -4.634 4.237 608 HB3 ALA 74 2HB ALA 74 -8.821 -5.064 5.476 609 H ALA 75 H ALA 75 -10.829 -5.937 2.446 610 HA ALA 75 HA ALA 75 -12.754 -7.003 4.280 611 HB1 ALA 75 3HB ALA 75 -13.294 -5.131 2.806 612 HB2 ALA 75 1HB ALA 75 -14.404 -6.480 2.570 613 HB3 ALA 75 2HB ALA 75 -13.118 -6.183 1.401 614 H HIS 76 H HIS 76 -10.727 -8.363 1.960 615 HA HIS 76 HA HIS 76 -12.412 -10.685 1.497 616 HD1 HIS 76 HD1 HIS 76 -12.634 -12.311 -0.072 617 HD2 HIS 76 HD2 HIS 76 -8.519 -12.298 -0.718 618 HE1 HIS 76 HE1 HIS 76 -12.102 -14.528 -1.141 619 HE2 HIS 76 HE2 HIS 76 -9.611 -14.494 -1.548 620 HB2 HIS 76 2HB HIS 76 -10.958 -9.765 -0.314 621 HB3 HIS 76 1HB HIS 76 -9.546 -10.199 0.640 622 H GLY 77 H GLY 77 -10.685 -9.595 4.006 623 HA2 GLY 77 2HA GLY 77 -9.500 -12.064 4.908 624 HA3 GLY 77 1HA GLY 77 -9.765 -10.614 5.870 625 H GLU 78 H GLU 78 -12.435 -11.599 4.145 626 HA GLU 78 HA GLU 78 -14.251 -11.929 6.147 627 HB2 GLU 78 2HB GLU 78 -15.569 -13.178 4.398 628 HB3 GLU 78 1HB GLU 78 -14.919 -11.629 3.869 629 HG2 GLU 78 2HG GLU 78 -12.949 -12.977 2.952 630 HG3 GLU 78 1HG GLU 78 -13.973 -14.389 3.180 631 H LYS 79 H LYS 79 -11.924 -14.241 5.035 632 HA LYS 79 HA LYS 79 -13.320 -16.447 6.347 633 HB2 LYS 79 2HB LYS 79 -11.548 -17.842 5.219 634 HB3 LYS 79 1HB LYS 79 -12.634 -16.984 4.136 635 HG2 LYS 79 2HG LYS 79 -10.894 -15.219 3.891 636 HG3 LYS 79 1HG LYS 79 -9.804 -16.232 4.839 637 HD2 LYS 79 2HD LYS 79 -11.153 -17.175 2.318 638 HD3 LYS 79 1HD LYS 79 -9.569 -16.403 2.330 639 HE2 LYS 79 2HE LYS 79 -8.673 -18.158 3.717 640 HE3 LYS 79 1HE LYS 79 -10.269 -18.888 3.885 641 HZ1 LYS 79 3HZ LYS 79 -9.057 -18.522 1.220 642 HZ2 LYS 79 1HZ LYS 79 -10.261 -19.612 1.697 643 HZ3 LYS 79 2HZ LYS 79 -8.652 -19.869 2.167 644 H ALA 80 H ALA 80 -11.424 -14.151 7.481 645 HA ALA 80 HA ALA 80 -10.176 -15.926 9.419 646 HB1 ALA 80 3HB ALA 80 -7.957 -14.992 9.155 647 HB2 ALA 80 1HB ALA 80 -8.529 -13.935 7.864 648 HB3 ALA 80 2HB ALA 80 -8.503 -15.682 7.626 649 H LEU 81 H LEU 81 -12.309 -14.272 9.888 650 HA LEU 81 HA LEU 81 -11.350 -11.870 11.148 651 HG LEU 81 HG LEU 81 -12.990 -10.441 10.366 652 HB2 LEU 81 2HB LEU 81 -13.992 -13.215 10.925 653 HB3 LEU 81 1HB LEU 81 -13.757 -12.059 12.220 654 HD11 LEU 81 1HD1 LEU 81 -12.760 -12.039 8.572 655 HD12 LEU 81 2HD1 LEU 81 -14.012 -10.860 8.178 656 HD13 LEU 81 3HD1 LEU 81 -14.461 -12.479 8.712 657 HD21 LEU 81 3HD2 LEU 81 -15.065 -10.214 11.633 658 HD22 LEU 81 1HD2 LEU 81 -15.874 -11.300 10.504 659 HD23 LEU 81 2HD2 LEU 81 -15.275 -9.737 9.948 660 H LYS 82 H LYS 82 -9.702 -12.997 12.383 661 HA LYS 82 HA LYS 82 -10.672 -14.330 14.797 662 HB2 LYS 82 2HB LYS 82 -8.768 -15.312 13.542 663 HB3 LYS 82 1HB LYS 82 -7.849 -13.841 13.820 664 HG2 LYS 82 2HG LYS 82 -7.903 -14.263 16.226 665 HG3 LYS 82 1HG LYS 82 -8.826 -15.741 15.941 666 HD2 LYS 82 2HD LYS 82 -6.972 -16.628 14.600 667 HD3 LYS 82 1HD LYS 82 -6.051 -15.158 14.911 668 HE2 LYS 82 2HE LYS 82 -6.080 -15.649 17.307 669 HE3 LYS 82 1HE LYS 82 -7.011 -17.113 16.995 670 HZ1 LYS 82 3HZ LYS 82 -4.693 -17.648 17.258 671 HZ2 LYS 82 1HZ LYS 82 -4.254 -16.550 16.041 672 HZ3 LYS 82 2HZ LYS 82 -5.149 -17.931 15.648 673 H VAL 83 H VAL 83 -10.103 -13.492 16.915 674 HA VAL 83 HA VAL 83 -10.643 -10.820 17.298 675 HB VAL 83 HB VAL 83 -10.767 -12.453 19.108 676 HG11 VAL 83 1HG1 VAL 83 -8.753 -13.178 20.316 677 HG12 VAL 83 2HG1 VAL 83 -7.751 -12.383 19.101 678 HG13 VAL 83 3HG1 VAL 83 -8.767 -13.750 18.649 679 HG21 VAL 83 3HG2 VAL 83 -8.931 -10.143 19.732 680 HG22 VAL 83 1HG2 VAL 83 -9.858 -11.062 20.920 681 HG23 VAL 83 2HG2 VAL 83 -10.695 -10.104 19.700 682 H THR 84 H THR 84 -7.515 -12.335 16.912 683 HA THR 84 HA THR 84 -5.826 -10.163 17.349 684 HB THR 84 HB THR 84 -5.450 -12.365 15.330 685 HG1 THR 84 HG1 THR 84 -4.427 -13.368 17.340 686 HG21 THR 84 3HG2 THR 84 -3.072 -12.161 15.968 687 HG22 THR 84 1HG2 THR 84 -3.487 -10.832 17.049 688 HG23 THR 84 2HG2 THR 84 -3.705 -10.654 15.308 689 H MET 85 H MET 85 -7.187 -11.426 14.327 690 HA MET 85 HA MET 85 -6.096 -9.493 12.612 691 HB2 MET 85 2HB MET 85 -8.411 -11.398 12.366 692 HB3 MET 85 1HB MET 85 -7.996 -10.290 11.065 693 HG2 MET 85 2HG MET 85 -7.034 -12.442 10.631 694 HG3 MET 85 1HG MET 85 -5.748 -11.287 10.966 695 HE1 MET 85 3HE MET 85 -5.314 -14.432 10.947 696 HE2 MET 85 1HE MET 85 -4.321 -14.652 12.386 697 HE3 MET 85 2HE MET 85 -4.023 -13.288 11.312 698 H ILE 86 H ILE 86 -9.021 -9.562 14.507 699 HA ILE 86 HA ILE 86 -10.329 -7.427 13.172 700 HB ILE 86 HB ILE 86 -10.727 -8.521 15.954 701 HG12 ILE 86 2HG1 ILE 86 -12.742 -8.908 13.838 702 HG13 ILE 86 1HG1 ILE 86 -11.205 -9.723 13.560 703 HG21 ILE 86 1HG2 ILE 86 -12.869 -7.363 15.946 704 HG22 ILE 86 2HG2 ILE 86 -12.494 -6.657 14.373 705 HG23 ILE 86 3HG2 ILE 86 -11.538 -6.214 15.788 706 HD11 ILE 86 3HD1 ILE 86 -11.377 -10.891 15.632 707 HD12 ILE 86 1HD1 ILE 86 -12.865 -11.124 14.712 708 HD13 ILE 86 2HD1 ILE 86 -12.838 -9.993 16.067 709 H GLN 87 H GLN 87 -7.993 -7.550 15.801 710 HA GLN 87 HA GLN 87 -8.273 -4.840 16.588 711 HB2 GLN 87 2HB GLN 87 -6.974 -6.671 17.816 712 HB3 GLN 87 1HB GLN 87 -5.682 -6.390 16.657 713 HG2 GLN 87 2HG GLN 87 -5.698 -3.983 17.373 714 HG3 GLN 87 1HG GLN 87 -6.803 -4.452 18.662 715 HE21 GLN 87 1HE2 GLN 87 -3.576 -4.551 17.485 716 HE22 GLN 87 2HE2 GLN 87 -2.835 -5.209 18.901 717 H LYS 88 H LYS 88 -6.630 -6.476 13.994 718 HA LYS 88 HA LYS 88 -5.132 -4.191 13.128 719 HB2 LYS 88 2HB LYS 88 -5.870 -6.635 11.506 720 HB3 LYS 88 1HB LYS 88 -4.582 -5.491 11.164 721 HG2 LYS 88 2HG LYS 88 -4.711 -7.482 13.414 722 HG3 LYS 88 1HG LYS 88 -3.595 -7.460 12.049 723 HD2 LYS 88 2HD LYS 88 -2.690 -5.303 12.900 724 HD3 LYS 88 1HD LYS 88 -3.723 -5.478 14.321 725 HE2 LYS 88 2HE LYS 88 -2.606 -7.718 14.693 726 HE3 LYS 88 1HE LYS 88 -1.446 -7.247 13.453 727 HZ1 LYS 88 3HZ LYS 88 -1.915 -5.960 16.079 728 HZ2 LYS 88 1HZ LYS 88 -1.003 -5.224 14.852 729 HZ3 LYS 88 2HZ LYS 88 -0.500 -6.696 15.523 730 H TYR 89 H TYR 89 -8.348 -5.386 12.671 731 HA TYR 89 HA TYR 89 -8.944 -3.634 10.462 732 HD1 TYR 89 HD2 TYR 89 -9.183 -4.990 8.952 733 HD2 TYR 89 HD1 TYR 89 -11.360 -7.378 11.721 734 HE1 TYR 89 HE2 TYR 89 -8.865 -6.952 7.504 735 HE2 TYR 89 HE1 TYR 89 -11.046 -9.346 10.284 736 HH TYR 89 HH TYR 89 -8.844 -9.438 7.749 737 HB2 TYR 89 2HB TYR 89 -10.769 -5.197 12.306 738 HB3 TYR 89 1HB TYR 89 -11.320 -4.262 10.921 739 H ARG 90 H ARG 90 -8.931 -3.473 13.918 740 HA ARG 90 HA ARG 90 -10.554 -1.104 14.060 741 HE ARG 90 HE ARG 90 -10.352 -4.811 17.630 742 HB2 ARG 90 2HB ARG 90 -8.896 -2.600 16.076 743 HB3 ARG 90 1HB ARG 90 -9.645 -1.055 16.463 744 HG2 ARG 90 2HG ARG 90 -11.841 -2.045 15.808 745 HG3 ARG 90 1HG ARG 90 -11.024 -3.602 15.657 746 HD2 ARG 90 2HD ARG 90 -10.914 -1.976 18.178 747 HD3 ARG 90 1HD ARG 90 -12.225 -3.107 17.853 748 HH11 ARG 90 1HH1 ARG 90 -10.084 -1.984 19.679 749 HH12 ARG 90 2HH1 ARG 90 -9.117 -2.783 20.873 750 HH21 ARG 90 1HH2 ARG 90 -9.079 -5.866 19.196 751 HH22 ARG 90 2HH2 ARG 90 -8.509 -4.979 20.587 752 H GLN 91 H GLN 91 -7.183 -1.823 13.667 753 HA GLN 91 HA GLN 91 -6.439 0.971 14.013 754 HB2 GLN 91 2HB GLN 91 -4.171 0.277 13.530 755 HB3 GLN 91 1HB GLN 91 -4.867 -0.831 14.703 756 HG2 GLN 91 2HG GLN 91 -5.280 -2.447 12.910 757 HG3 GLN 91 1HG GLN 91 -4.550 -1.337 11.752 758 HE21 GLN 91 1HE2 GLN 91 -3.377 -1.842 15.024 759 HE22 GLN 91 2HE2 GLN 91 -1.892 -2.609 14.562 760 H LEU 92 H LEU 92 -7.891 -0.879 11.750 761 HA LEU 92 HA LEU 92 -6.825 0.449 9.393 762 HG LEU 92 HG LEU 92 -7.653 -0.660 7.203 763 HB2 LEU 92 2HB LEU 92 -7.368 -1.977 9.390 764 HB3 LEU 92 1HB LEU 92 -9.041 -1.587 9.719 765 HD11 LEU 92 1HD1 LEU 92 -7.481 -3.100 7.357 766 HD12 LEU 92 2HD1 LEU 92 -8.614 -2.607 6.097 767 HD13 LEU 92 3HD1 LEU 92 -9.217 -3.202 7.644 768 HD21 LEU 92 3HD2 LEU 92 -10.557 -1.108 7.904 769 HD22 LEU 92 1HD2 LEU 92 -9.946 -0.566 6.343 770 HD23 LEU 92 2HD2 LEU 92 -9.760 0.458 7.766 771 H HIS 93 H HIS 93 -7.650 2.322 8.732 772 HA HIS 93 HA HIS 93 -10.437 2.778 8.518 773 HD1 HIS 93 HD1 HIS 93 -11.276 1.852 11.380 774 HD2 HIS 93 HD2 HIS 93 -12.355 5.665 10.126 775 HE1 HIS 93 HE1 HIS 93 -13.712 2.080 11.938 776 HE2 HIS 93 HE2 HIS 93 -14.379 4.342 11.054 777 HB2 HIS 93 2HB HIS 93 -9.256 3.592 10.990 778 HB3 HIS 93 1HB HIS 93 -9.686 5.036 10.076 779 H HIS 94 H HIS 94 -7.756 4.994 9.186 780 HA HIS 94 HA HIS 94 -7.190 5.569 6.469 781 HD1 HIS 94 HD1 HIS 94 -6.730 9.327 7.161 782 HD2 HIS 94 HD2 HIS 94 -9.040 7.628 4.146 783 HE1 HIS 94 HE1 HIS 94 -6.280 10.702 5.104 784 HE2 HIS 94 HE2 HIS 94 -7.897 9.818 3.384 785 HB2 HIS 94 2HB HIS 94 -9.420 6.684 6.654 786 HB3 HIS 94 1HB HIS 94 -8.771 7.699 7.937 787 H HIS 95 H HIS 95 -5.057 5.488 7.035 788 HA HIS 95 HA HIS 95 -4.128 7.251 9.169 789 HD1 HIS 95 HD1 HIS 95 -2.357 5.815 11.243 790 HD2 HIS 95 HD2 HIS 95 -4.236 3.089 8.726 791 HE1 HIS 95 HE1 HIS 95 -3.127 3.937 12.727 792 HE2 HIS 95 HE2 HIS 95 -4.387 2.371 11.202 793 HB2 HIS 95 2HB HIS 95 -2.717 5.107 7.573 794 HB3 HIS 95 1HB HIS 95 -1.884 6.172 8.702 Start of MODEL 6 1 HA MET 1 HA MET 1 18.109 6.212 18.476 2 H1 MET 1 1H MET 1 18.009 6.511 20.855 3 H2 MET 1 2H MET 1 17.996 4.864 20.449 4 H3 MET 1 3H MET 1 16.560 5.632 20.928 5 HB2 MET 1 2HB MET 1 15.503 4.763 18.957 6 HB3 MET 1 1HB MET 1 15.959 5.392 17.380 7 HG2 MET 1 2HG MET 1 18.002 3.996 17.468 8 HG3 MET 1 1HG MET 1 17.417 3.303 18.980 9 HE1 MET 1 3HE MET 1 17.720 0.883 17.869 10 HE2 MET 1 1HE MET 1 18.240 1.624 16.355 11 HE3 MET 1 2HE MET 1 16.961 0.411 16.350 12 H TYR 2 H TYR 2 15.790 7.012 17.088 13 HA TYR 2 HA TYR 2 14.444 8.780 16.661 14 HD1 TYR 2 HD2 TYR 2 11.725 9.152 17.371 15 HD2 TYR 2 HD1 TYR 2 14.273 11.892 19.394 16 HE1 TYR 2 HE2 TYR 2 10.141 10.969 16.892 17 HE2 TYR 2 HE1 TYR 2 12.695 13.719 18.917 18 HH TYR 2 HH TYR 2 10.908 14.251 17.289 19 HB2 TYR 2 2HB TYR 2 13.504 8.388 18.962 20 HB3 TYR 2 1HB TYR 2 14.669 9.555 19.575 21 H LEU 3 H LEU 3 16.430 10.190 19.248 22 HA LEU 3 HA LEU 3 17.964 11.848 19.284 23 HG LEU 3 HG LEU 3 18.849 9.147 18.008 24 HB2 LEU 3 2HB LEU 3 18.495 11.031 16.427 25 HB3 LEU 3 1HB LEU 3 19.544 12.026 17.418 26 HD11 LEU 3 1HD1 LEU 3 21.375 10.339 16.881 27 HD12 LEU 3 2HD1 LEU 3 20.214 9.346 15.998 28 HD13 LEU 3 3HD1 LEU 3 21.135 8.651 17.332 29 HD21 LEU 3 3HD2 LEU 3 20.677 9.308 19.638 30 HD22 LEU 3 1HD2 LEU 3 19.353 10.409 20.020 31 HD23 LEU 3 2HD2 LEU 3 20.831 11.028 19.284 32 H LYS 4 H LYS 4 17.493 12.375 15.857 33 HA LYS 4 HA LYS 4 16.523 15.056 16.306 34 HB2 LYS 4 2HB LYS 4 18.018 14.530 14.413 35 HB3 LYS 4 1HB LYS 4 16.800 13.448 13.754 36 HG2 LYS 4 2HG LYS 4 15.276 15.503 13.684 37 HG3 LYS 4 1HG LYS 4 16.754 16.439 13.926 38 HD2 LYS 4 2HD LYS 4 16.217 14.495 11.680 39 HD3 LYS 4 1HD LYS 4 16.230 16.253 11.555 40 HE2 LYS 4 2HE LYS 4 18.566 16.348 12.008 41 HE3 LYS 4 1HE LYS 4 18.611 14.644 12.454 42 HZ1 LYS 4 3HZ LYS 4 18.120 14.044 10.191 43 HZ2 LYS 4 1HZ LYS 4 19.485 15.049 10.219 44 HZ3 LYS 4 2HZ LYS 4 17.985 15.671 9.736 45 H ARG 5 H ARG 5 15.291 12.284 14.490 46 HA ARG 5 HA ARG 5 12.775 12.082 15.620 47 HE ARG 5 HE ARG 5 10.662 15.572 14.657 48 HB2 ARG 5 2HB ARG 5 12.344 14.343 14.716 49 HB3 ARG 5 1HB ARG 5 12.774 13.782 13.106 50 HG2 ARG 5 2HG ARG 5 10.877 12.227 13.153 51 HG3 ARG 5 1HG ARG 5 10.435 12.830 14.750 52 HD2 ARG 5 2HD ARG 5 10.603 14.527 12.263 53 HD3 ARG 5 1HD ARG 5 9.113 13.824 12.888 54 HH11 ARG 5 1HH1 ARG 5 7.848 15.090 12.606 55 HH12 ARG 5 2HH1 ARG 5 6.988 16.464 13.254 56 HH21 ARG 5 1HH2 ARG 5 9.543 17.382 15.488 57 HH22 ARG 5 2HH2 ARG 5 7.950 17.753 14.900 58 H VAL 6 H VAL 6 11.910 10.189 14.895 59 HA VAL 6 HA VAL 6 13.250 8.802 12.743 60 HB VAL 6 HB VAL 6 10.780 7.931 14.264 61 HG11 VAL 6 1HG1 VAL 6 11.145 6.697 12.204 62 HG12 VAL 6 2HG1 VAL 6 11.482 5.670 13.598 63 HG13 VAL 6 3HG1 VAL 6 12.812 6.367 12.675 64 HG21 VAL 6 3HG2 VAL 6 12.564 8.367 15.849 65 HG22 VAL 6 1HG2 VAL 6 13.681 7.392 14.894 66 HG23 VAL 6 2HG2 VAL 6 12.304 6.630 15.693 67 H ASP 7 H ASP 7 12.538 8.640 10.679 68 HA ASP 7 HA ASP 7 10.379 10.321 9.825 69 HB2 ASP 7 2HB ASP 7 12.561 9.819 8.552 70 HB3 ASP 7 1HB ASP 7 11.810 8.296 8.104 71 H GLY 8 H GLY 8 8.740 9.244 11.130 72 HA2 GLY 8 2HA GLY 8 6.908 7.889 11.372 73 HA3 GLY 8 1HA GLY 8 7.048 7.570 9.649 74 HA PRO 9 HA PRO 9 8.160 3.536 11.514 75 HB2 PRO 9 2HB PRO 9 6.187 2.343 9.796 76 HB3 PRO 9 1HB PRO 9 6.197 2.404 11.558 77 HG2 PRO 9 2HG PRO 9 4.380 3.723 9.975 78 HG3 PRO 9 1HG PRO 9 4.812 4.213 11.622 79 HD2 PRO 9 2HD PRO 9 5.771 5.305 9.004 80 HD3 PRO 9 1HD PRO 9 5.361 6.168 10.506 81 H ARG 10 H ARG 10 9.893 2.687 10.576 82 HA ARG 10 HA ARG 10 10.368 3.002 7.758 83 HE ARG 10 HE ARG 10 14.066 -1.162 8.376 84 HB2 ARG 10 2HB ARG 10 12.430 3.034 8.689 85 HB3 ARG 10 1HB ARG 10 11.903 2.146 10.113 86 HG2 ARG 10 2HG ARG 10 12.081 0.057 8.911 87 HG3 ARG 10 1HG ARG 10 12.532 0.911 7.437 88 HD2 ARG 10 2HD ARG 10 14.579 1.680 8.463 89 HD3 ARG 10 1HD ARG 10 14.109 0.970 10.009 90 HH11 ARG 10 1HH1 ARG 10 16.511 1.314 8.886 91 HH12 ARG 10 2HH1 ARG 10 17.828 0.259 8.463 92 HH21 ARG 10 1HH2 ARG 10 15.791 -2.515 7.808 93 HH22 ARG 10 2HH2 ARG 10 17.418 -1.910 7.842 94 H GLN 11 H GLN 11 9.189 0.540 9.897 95 HA GLN 11 HA GLN 11 8.412 -1.117 7.680 96 HB2 GLN 11 2HB GLN 11 9.597 -3.120 8.473 97 HB3 GLN 11 1HB GLN 11 10.723 -1.854 8.007 98 HG2 GLN 11 2HG GLN 11 10.732 -1.234 10.500 99 HG3 GLN 11 1HG GLN 11 10.015 -2.824 10.746 100 HE21 GLN 11 1HE2 GLN 11 11.770 -3.631 11.850 101 HE22 GLN 11 2HE2 GLN 11 13.287 -3.974 11.087 102 H VAL 12 H VAL 12 6.703 -2.425 8.175 103 HA VAL 12 HA VAL 12 5.805 -2.411 10.983 104 HB VAL 12 HB VAL 12 3.466 -2.366 10.159 105 HG11 VAL 12 1HG1 VAL 12 4.495 -0.312 10.914 106 HG12 VAL 12 2HG1 VAL 12 3.430 0.016 9.548 107 HG13 VAL 12 3HG1 VAL 12 5.177 -0.035 9.311 108 HG21 VAL 12 3HG2 VAL 12 2.990 -1.714 7.859 109 HG22 VAL 12 1HG2 VAL 12 3.861 -3.248 7.908 110 HG23 VAL 12 2HG2 VAL 12 4.712 -1.764 7.477 111 H THR 13 H THR 13 4.471 -4.212 11.603 112 HA THR 13 HA THR 13 5.339 -6.652 10.260 113 HB THR 13 HB THR 13 3.846 -6.421 12.878 114 HG1 THR 13 HG1 THR 13 6.449 -6.956 13.220 115 HG21 THR 13 3HG2 THR 13 5.591 -8.590 11.704 116 HG22 THR 13 1HG2 THR 13 3.838 -8.646 11.888 117 HG23 THR 13 2HG2 THR 13 4.873 -8.616 13.316 118 H LEU 14 H LEU 14 4.001 -8.015 9.217 119 HA LEU 14 HA LEU 14 1.232 -7.194 8.813 120 HG LEU 14 HG LEU 14 2.490 -8.174 5.423 121 HB2 LEU 14 2HB LEU 14 2.899 -9.380 7.559 122 HB3 LEU 14 1HB LEU 14 1.211 -9.119 7.181 123 HD11 LEU 14 1HD1 LEU 14 1.578 -5.950 7.229 124 HD12 LEU 14 2HD1 LEU 14 0.574 -6.850 6.092 125 HD13 LEU 14 3HD1 LEU 14 1.878 -5.824 5.495 126 HD21 LEU 14 3HD2 LEU 14 4.003 -6.596 7.485 127 HD22 LEU 14 1HD2 LEU 14 4.222 -6.532 5.739 128 HD23 LEU 14 2HD2 LEU 14 4.614 -8.005 6.620 129 HA PRO 15 HA PRO 15 -0.511 -10.444 11.391 130 HB2 PRO 15 2HB PRO 15 -2.595 -10.821 9.354 131 HB3 PRO 15 1HB PRO 15 -2.753 -10.261 11.020 132 HG2 PRO 15 2HG PRO 15 -3.103 -8.619 8.913 133 HG3 PRO 15 1HG PRO 15 -2.421 -8.054 10.448 134 HD2 PRO 15 2HD PRO 15 -1.026 -8.742 7.891 135 HD3 PRO 15 1HD PRO 15 -0.716 -7.407 9.022 136 H ASP 16 H ASP 16 0.382 -10.709 8.124 137 HA ASP 16 HA ASP 16 0.115 -13.536 7.804 138 HB2 ASP 16 2HB ASP 16 1.946 -11.641 6.311 139 HB3 ASP 16 1HB ASP 16 1.391 -13.219 5.770 140 H GLY 17 H GLY 17 2.219 -11.522 9.524 141 HA2 GLY 17 2HA GLY 17 3.948 -12.251 10.949 142 HA3 GLY 17 1HA GLY 17 4.084 -13.724 9.998 143 H THR 18 H THR 18 3.850 -11.169 7.942 144 HA THR 18 HA THR 18 6.652 -11.376 7.239 145 HB THR 18 HB THR 18 4.655 -9.690 5.765 146 HG1 THR 18 HG1 THR 18 4.855 -12.449 5.199 147 HG21 THR 18 3HG2 THR 18 6.942 -9.713 4.937 148 HG22 THR 18 1HG2 THR 18 5.885 -10.555 3.804 149 HG23 THR 18 2HG2 THR 18 6.931 -11.476 4.885 150 H VAL 19 H VAL 19 7.772 -9.324 6.513 151 HA VAL 19 HA VAL 19 7.105 -7.037 8.251 152 HB VAL 19 HB VAL 19 9.814 -7.812 7.136 153 HG11 VAL 19 1HG1 VAL 19 10.681 -5.973 8.517 154 HG12 VAL 19 2HG1 VAL 19 9.029 -5.525 8.942 155 HG13 VAL 19 3HG1 VAL 19 9.572 -5.395 7.270 156 HG21 VAL 19 3HG2 VAL 19 10.423 -8.202 9.480 157 HG22 VAL 19 1HG2 VAL 19 9.125 -9.272 8.952 158 HG23 VAL 19 2HG2 VAL 19 8.761 -7.871 9.959 159 H LEU 20 H LEU 20 6.527 -5.221 7.266 160 HA LEU 20 HA LEU 20 7.060 -4.964 4.377 161 HG LEU 20 HG LEU 20 5.169 -2.278 4.457 162 HB2 LEU 20 2HB LEU 20 4.729 -5.247 4.693 163 HB3 LEU 20 1HB LEU 20 4.689 -4.136 6.046 164 HD11 LEU 20 1HD1 LEU 20 6.251 -3.590 2.697 165 HD12 LEU 20 2HD1 LEU 20 4.884 -2.667 2.069 166 HD13 LEU 20 3HD1 LEU 20 4.720 -4.400 2.361 167 HD21 LEU 20 3HD2 LEU 20 2.903 -2.818 5.195 168 HD22 LEU 20 1HD2 LEU 20 2.734 -3.944 3.851 169 HD23 LEU 20 2HD2 LEU 20 2.916 -2.218 3.536 170 H SER 21 H SER 21 8.764 -3.635 4.208 171 HA SER 21 HA SER 21 8.971 -1.351 6.019 172 HG SER 21 HG SER 21 10.692 -3.275 3.424 173 HB2 SER 21 2HB SER 21 11.234 -1.101 5.182 174 HB3 SER 21 1HB SER 21 10.966 -2.789 5.609 175 H ARG 22 H ARG 22 9.753 0.725 4.992 176 HA ARG 22 HA ARG 22 7.877 1.644 3.088 177 HE ARG 22 HE ARG 22 9.137 5.572 3.655 178 HB2 ARG 22 2HB ARG 22 10.437 2.862 4.120 179 HB3 ARG 22 1HB ARG 22 9.331 3.703 3.042 180 HG2 ARG 22 2HG ARG 22 7.567 3.558 4.706 181 HG3 ARG 22 1HG ARG 22 8.637 2.656 5.780 182 HD2 ARG 22 2HD ARG 22 8.522 4.997 6.436 183 HD3 ARG 22 1HD ARG 22 10.145 4.578 5.894 184 HH11 ARG 22 1HH1 ARG 22 8.927 6.771 6.940 185 HH12 ARG 22 2HH1 ARG 22 8.847 8.441 6.463 186 HH21 ARG 22 1HH2 ARG 22 8.990 7.768 3.024 187 HH22 ARG 22 2HH2 ARG 22 8.809 8.994 4.246 188 H ALA 23 H ALA 23 10.764 -0.080 2.706 189 HA ALA 23 HA ALA 23 11.158 0.841 -0.041 190 HB1 ALA 23 3HB ALA 23 13.197 -0.510 0.000 191 HB2 ALA 23 1HB ALA 23 12.796 -1.067 1.623 192 HB3 ALA 23 2HB ALA 23 13.154 0.636 1.336 193 H ASP 24 H ASP 24 9.432 -1.485 1.643 194 HA ASP 24 HA ASP 24 9.527 -3.494 -0.451 195 HB2 ASP 24 2HB ASP 24 8.006 -3.287 2.140 196 HB3 ASP 24 1HB ASP 24 7.622 -4.520 0.946 197 H LEU 25 H LEU 25 7.853 -0.642 0.252 198 HA LEU 25 HA LEU 25 5.418 -0.991 -1.045 199 HG LEU 25 HG LEU 25 6.026 0.630 1.236 200 HB2 LEU 25 2HB LEU 25 7.259 1.386 -0.853 201 HB3 LEU 25 1HB LEU 25 5.695 1.475 -1.642 202 HD11 LEU 25 1HD1 LEU 25 5.386 2.902 1.837 203 HD12 LEU 25 2HD1 LEU 25 5.411 3.370 0.137 204 HD13 LEU 25 3HD1 LEU 25 6.906 2.895 0.942 205 HD21 LEU 25 3HD2 LEU 25 3.938 -0.035 0.146 206 HD22 LEU 25 1HD2 LEU 25 3.661 1.637 -0.341 207 HD23 LEU 25 2HD2 LEU 25 3.658 1.206 1.368 208 HA PRO 26 HA PRO 26 6.650 -2.136 -5.136 209 HB2 PRO 26 2HB PRO 26 4.337 -1.283 -6.400 210 HB3 PRO 26 1HB PRO 26 4.530 -2.842 -5.593 211 HG2 PRO 26 2HG PRO 26 3.282 -0.325 -4.579 212 HG3 PRO 26 1HG PRO 26 2.755 -2.004 -4.370 213 HD2 PRO 26 2HD PRO 26 4.002 -0.682 -2.408 214 HD3 PRO 26 1HD PRO 26 4.305 -2.412 -2.693 215 HA PRO 27 HA PRO 27 8.315 1.557 -6.877 216 HB2 PRO 27 2HB PRO 27 8.705 0.734 -9.445 217 HB3 PRO 27 1HB PRO 27 9.731 0.228 -8.098 218 HG2 PRO 27 2HG PRO 27 7.457 -1.223 -9.395 219 HG3 PRO 27 1HG PRO 27 9.036 -1.849 -8.883 220 HD2 PRO 27 2HD PRO 27 6.799 -2.208 -7.414 221 HD3 PRO 27 1HD PRO 27 8.396 -1.994 -6.666 222 H LEU 28 H LEU 28 7.847 3.292 -8.264 223 HA LEU 28 HA LEU 28 5.084 3.734 -8.730 224 HG LEU 28 HG LEU 28 7.577 5.224 -7.317 225 HB2 LEU 28 2HB LEU 28 7.439 5.326 -9.753 226 HB3 LEU 28 1HB LEU 28 5.779 5.880 -9.650 227 HD11 LEU 28 1HD1 LEU 28 6.494 7.841 -8.339 228 HD12 LEU 28 2HD1 LEU 28 8.172 7.303 -8.413 229 HD13 LEU 28 3HD1 LEU 28 7.416 7.623 -6.852 230 HD21 LEU 28 3HD2 LEU 28 4.745 6.253 -7.355 231 HD22 LEU 28 1HD2 LEU 28 5.759 6.064 -5.923 232 HD23 LEU 28 2HD2 LEU 28 5.256 4.646 -6.843 233 H ASP 29 H ASP 29 7.560 2.323 -10.584 234 HA ASP 29 HA ASP 29 6.589 2.829 -13.191 235 HB2 ASP 29 2HB ASP 29 8.265 0.557 -12.110 236 HB3 ASP 29 1HB ASP 29 7.950 0.826 -13.822 237 H THR 30 H THR 30 5.606 0.712 -10.663 238 HA THR 30 HA THR 30 4.262 -1.211 -12.237 239 HB THR 30 HB THR 30 3.768 -0.358 -9.378 240 HG1 THR 30 HG1 THR 30 5.768 -1.682 -10.473 241 HG21 THR 30 3HG2 THR 30 2.588 -2.492 -9.135 242 HG22 THR 30 1HG2 THR 30 2.807 -2.811 -10.855 243 HG23 THR 30 2HG2 THR 30 1.799 -1.462 -10.331 244 H ARG 31 H ARG 31 2.703 -0.801 -13.566 245 HA ARG 31 HA ARG 31 0.649 1.154 -12.775 246 HE ARG 31 HE ARG 31 2.078 2.982 -13.302 247 HB2 ARG 31 2HB ARG 31 2.206 1.585 -14.837 248 HB3 ARG 31 1HB ARG 31 1.163 0.411 -15.631 249 HG2 ARG 31 2HG ARG 31 0.524 2.782 -15.990 250 HG3 ARG 31 1HG ARG 31 -0.751 1.774 -15.306 251 HD2 ARG 31 2HD ARG 31 -0.502 4.043 -14.255 252 HD3 ARG 31 1HD ARG 31 -0.433 2.681 -13.140 253 HH11 ARG 31 1HH1 ARG 31 -0.162 5.631 -13.746 254 HH12 ARG 31 2HH1 ARG 31 0.950 6.837 -13.178 255 HH21 ARG 31 1HH2 ARG 31 3.536 4.558 -12.493 256 HH22 ARG 31 2HH2 ARG 31 3.045 6.228 -12.440 257 H ARG 32 H ARG 32 1.311 -1.857 -14.543 258 HA ARG 32 HA ARG 32 -1.411 -2.742 -14.262 259 HE ARG 32 HE ARG 32 -2.586 -7.195 -14.808 260 HB2 ARG 32 2HB ARG 32 -0.067 -3.685 -16.074 261 HB3 ARG 32 1HB ARG 32 1.103 -4.302 -14.914 262 HG2 ARG 32 2HG ARG 32 -0.391 -6.055 -15.755 263 HG3 ARG 32 1HG ARG 32 -0.547 -5.826 -14.011 264 HD2 ARG 32 2HD ARG 32 -2.507 -4.297 -14.541 265 HD3 ARG 32 1HD ARG 32 -2.424 -4.929 -16.185 266 HH11 ARG 32 1HH1 ARG 32 -4.371 -4.204 -14.451 267 HH12 ARG 32 2HH1 ARG 32 -5.799 -4.976 -13.827 268 HH21 ARG 32 1HH2 ARG 32 -4.482 -8.226 -14.022 269 HH22 ARG 32 2HH2 ARG 32 -5.862 -7.266 -13.595 270 H TRP 33 H TRP 33 -1.705 -2.265 -12.080 271 HA TRP 33 HA TRP 33 -0.129 -3.332 -9.994 272 HD1 TRP 33 HD1 TRP 33 -2.118 0.100 -11.002 273 HE1 TRP 33 HE1 TRP 33 -0.696 1.970 -9.944 274 HE3 TRP 33 HE3 TRP 33 -0.224 -2.488 -7.035 275 HZ2 TRP 33 HZ2 TRP 33 1.003 2.291 -7.723 276 HZ3 TRP 33 HZ3 TRP 33 1.292 -1.330 -5.486 277 HH2 TRP 33 HH2 TRP 33 1.894 1.009 -5.824 278 HB2 TRP 33 2HB TRP 33 -2.933 -2.253 -10.108 279 HB3 TRP 33 1HB TRP 33 -2.225 -2.847 -8.610 280 H VAL 34 H VAL 34 0.106 -5.367 -9.454 281 HA VAL 34 HA VAL 34 -2.063 -7.266 -9.895 282 HB VAL 34 HB VAL 34 -0.464 -8.997 -9.175 283 HG11 VAL 34 1HG1 VAL 34 0.662 -7.136 -11.264 284 HG12 VAL 34 2HG1 VAL 34 -0.565 -8.372 -11.533 285 HG13 VAL 34 3HG1 VAL 34 1.069 -8.842 -11.071 286 HG21 VAL 34 3HG2 VAL 34 0.836 -7.711 -7.571 287 HG22 VAL 34 1HG2 VAL 34 1.476 -6.706 -8.871 288 HG23 VAL 34 2HG2 VAL 34 1.894 -8.417 -8.795 289 H ALA 35 H ALA 35 -2.597 -8.764 -8.076 290 HA ALA 35 HA ALA 35 -3.683 -7.334 -5.961 291 HB1 ALA 35 3HB ALA 35 -4.492 -9.527 -6.674 292 HB2 ALA 35 1HB ALA 35 -4.182 -9.485 -4.938 293 HB3 ALA 35 2HB ALA 35 -3.036 -10.275 -6.021 294 H SER 36 H SER 36 -0.658 -9.174 -6.073 295 HA SER 36 HA SER 36 -0.037 -9.058 -3.351 296 HG SER 36 HG SER 36 1.755 -11.471 -4.954 297 HB2 SER 36 2HB SER 36 1.880 -9.118 -5.689 298 HB3 SER 36 1HB SER 36 2.253 -9.579 -4.028 299 H ARG 37 H ARG 37 0.652 -6.750 -5.948 300 HA ARG 37 HA ARG 37 2.283 -5.100 -4.238 301 HE ARG 37 HE ARG 37 5.331 -6.310 -7.759 302 HB2 ARG 37 2HB ARG 37 1.222 -4.597 -7.026 303 HB3 ARG 37 1HB ARG 37 2.359 -3.550 -6.178 304 HG2 ARG 37 2HG ARG 37 3.887 -5.530 -5.998 305 HG3 ARG 37 1HG ARG 37 2.787 -6.388 -7.071 306 HD2 ARG 37 2HD ARG 37 3.176 -4.736 -8.816 307 HD3 ARG 37 1HD ARG 37 4.237 -3.827 -7.736 308 HH11 ARG 37 1HH1 ARG 37 4.573 -3.972 -10.261 309 HH12 ARG 37 2HH1 ARG 37 5.757 -4.593 -11.365 310 HH21 ARG 37 1HH2 ARG 37 6.880 -7.109 -9.192 311 HH22 ARG 37 2HH2 ARG 37 7.080 -6.380 -10.764 312 H LYS 38 H LYS 38 -1.030 -5.103 -5.397 313 HA LYS 38 HA LYS 38 -1.774 -2.596 -4.324 314 HB2 LYS 38 2HB LYS 38 -3.399 -5.092 -4.841 315 HB3 LYS 38 1HB LYS 38 -4.101 -3.573 -4.304 316 HG2 LYS 38 2HG LYS 38 -3.061 -2.523 -6.359 317 HG3 LYS 38 1HG LYS 38 -2.743 -4.170 -6.912 318 HD2 LYS 38 2HD LYS 38 -5.092 -4.694 -6.882 319 HD3 LYS 38 1HD LYS 38 -5.470 -3.136 -6.140 320 HE2 LYS 38 2HE LYS 38 -4.496 -2.046 -8.183 321 HE3 LYS 38 1HE LYS 38 -4.416 -3.646 -8.913 322 HZ1 LYS 38 3HZ LYS 38 -6.405 -2.430 -9.567 323 HZ2 LYS 38 1HZ LYS 38 -6.894 -2.334 -7.950 324 HZ3 LYS 38 2HZ LYS 38 -6.802 -3.844 -8.712 325 H ALA 39 H ALA 39 -1.788 -5.869 -2.992 326 HA ALA 39 HA ALA 39 -2.951 -5.291 -0.512 327 HB1 ALA 39 3HB ALA 39 -2.679 -7.559 -1.378 328 HB2 ALA 39 1HB ALA 39 -1.985 -7.398 0.236 329 HB3 ALA 39 2HB ALA 39 -0.931 -7.427 -1.178 330 H ALA 40 H ALA 40 0.416 -5.155 -1.578 331 HA ALA 40 HA ALA 40 1.600 -4.736 0.930 332 HB1 ALA 40 3HB ALA 40 2.503 -3.723 -1.766 333 HB2 ALA 40 1HB ALA 40 2.891 -5.292 -1.064 334 HB3 ALA 40 2HB ALA 40 3.498 -3.816 -0.314 335 H VAL 41 H VAL 41 0.297 -2.435 -1.432 336 HA VAL 41 HA VAL 41 1.048 -0.108 -0.007 337 HB VAL 41 HB VAL 41 -1.182 -0.455 -2.016 338 HG11 VAL 41 1HG1 VAL 41 0.192 2.044 -1.035 339 HG12 VAL 41 2HG1 VAL 41 -1.477 1.574 -0.713 340 HG13 VAL 41 3HG1 VAL 41 -0.971 1.968 -2.357 341 HG21 VAL 41 3HG2 VAL 41 1.684 0.409 -2.375 342 HG22 VAL 41 1HG2 VAL 41 0.445 0.444 -3.629 343 HG23 VAL 41 2HG2 VAL 41 0.962 -1.095 -2.943 344 H VAL 42 H VAL 42 -2.027 -1.906 -0.162 345 HA VAL 42 HA VAL 42 -3.406 -0.102 1.523 346 HB VAL 42 HB VAL 42 -4.608 -1.600 0.006 347 HG11 VAL 42 1HG1 VAL 42 -4.966 -3.955 0.584 348 HG12 VAL 42 2HG1 VAL 42 -3.791 -3.804 1.891 349 HG13 VAL 42 3HG1 VAL 42 -3.275 -3.616 0.215 350 HG21 VAL 42 3HG2 VAL 42 -5.792 -0.626 1.876 351 HG22 VAL 42 1HG2 VAL 42 -5.319 -1.978 2.906 352 HG23 VAL 42 2HG2 VAL 42 -6.406 -2.246 1.542 353 H LYS 43 H LYS 43 -1.645 -3.112 2.206 354 HA LYS 43 HA LYS 43 -2.355 -3.235 4.945 355 HB2 LYS 43 2HB LYS 43 0.019 -4.354 3.451 356 HB3 LYS 43 1HB LYS 43 -0.275 -4.662 5.157 357 HG2 LYS 43 2HG LYS 43 -2.424 -5.705 4.585 358 HG3 LYS 43 1HG LYS 43 -2.093 -5.424 2.873 359 HD2 LYS 43 2HD LYS 43 -0.106 -6.831 3.019 360 HD3 LYS 43 1HD LYS 43 -0.399 -7.086 4.740 361 HE2 LYS 43 2HE LYS 43 -2.555 -8.153 4.179 362 HE3 LYS 43 1HE LYS 43 -2.187 -7.952 2.466 363 HZ1 LYS 43 3HZ LYS 43 -0.700 -9.621 4.430 364 HZ2 LYS 43 1HZ LYS 43 -0.169 -9.322 2.842 365 HZ3 LYS 43 2HZ LYS 43 -1.619 -10.161 3.112 366 H ALA 44 H ALA 44 0.212 -1.591 3.197 367 HA ALA 44 HA ALA 44 1.764 -0.747 5.366 368 HB1 ALA 44 3HB ALA 44 2.513 -0.508 3.062 369 HB2 ALA 44 1HB ALA 44 2.537 1.055 3.879 370 HB3 ALA 44 2HB ALA 44 1.236 0.669 2.752 371 H VAL 45 H VAL 45 -1.027 0.740 3.797 372 HA VAL 45 HA VAL 45 -1.076 3.087 5.376 373 HB VAL 45 HB VAL 45 -3.266 1.742 3.783 374 HG11 VAL 45 1HG1 VAL 45 -3.205 4.547 4.885 375 HG12 VAL 45 2HG1 VAL 45 -4.171 3.222 5.534 376 HG13 VAL 45 3HG1 VAL 45 -4.481 3.821 3.906 377 HG21 VAL 45 3HG2 VAL 45 -1.466 4.077 3.137 378 HG22 VAL 45 1HG2 VAL 45 -2.758 3.452 2.109 379 HG23 VAL 45 2HG2 VAL 45 -1.345 2.455 2.455 380 H ILE 46 H ILE 46 -2.811 0.003 5.621 381 HA ILE 46 HA ILE 46 -4.492 0.775 7.753 382 HB ILE 46 HB ILE 46 -3.628 -1.985 6.877 383 HG12 ILE 46 2HG1 ILE 46 -6.162 -0.418 6.331 384 HG13 ILE 46 1HG1 ILE 46 -4.839 -0.616 5.187 385 HG21 ILE 46 1HG2 ILE 46 -4.429 -1.997 9.195 386 HG22 ILE 46 2HG2 ILE 46 -5.554 -2.820 8.115 387 HG23 ILE 46 3HG2 ILE 46 -5.911 -1.189 8.681 388 HD11 ILE 46 3HD1 ILE 46 -6.565 -2.819 6.296 389 HD12 ILE 46 1HD1 ILE 46 -5.243 -3.022 5.146 390 HD13 ILE 46 2HD1 ILE 46 -6.682 -2.111 4.683 391 H HIS 47 H HIS 47 -1.277 -0.703 7.693 392 HA HIS 47 HA HIS 47 -1.303 -1.105 10.557 393 HD1 HIS 47 HD1 HIS 47 -1.196 -3.402 11.052 394 HD2 HIS 47 HD2 HIS 47 0.529 -3.848 7.295 395 HE1 HIS 47 HE1 HIS 47 -1.876 -5.683 10.261 396 HE2 HIS 47 HE2 HIS 47 -1.081 -5.790 7.876 397 HB2 HIS 47 2HB HIS 47 0.889 -1.471 8.513 398 HB3 HIS 47 1HB HIS 47 1.100 -1.778 10.235 399 H GLY 48 H GLY 48 -0.468 1.440 8.426 400 HA2 GLY 48 2HA GLY 48 -0.316 3.638 9.369 401 HA3 GLY 48 1HA GLY 48 0.458 2.940 10.782 402 H LEU 49 H LEU 49 1.790 1.469 8.144 403 HA LEU 49 HA LEU 49 4.337 2.585 8.377 404 HG LEU 49 HG LEU 49 5.329 2.367 5.524 405 HB2 LEU 49 2HB LEU 49 3.843 0.422 7.283 406 HB3 LEU 49 1HB LEU 49 3.087 1.274 5.953 407 HD11 LEU 49 1HD1 LEU 49 7.297 1.212 6.418 408 HD12 LEU 49 2HD1 LEU 49 6.244 0.223 7.433 409 HD13 LEU 49 3HD1 LEU 49 6.337 1.964 7.693 410 HD21 LEU 49 3HD2 LEU 49 6.202 0.439 4.335 411 HD22 LEU 49 1HD2 LEU 49 4.449 0.527 4.169 412 HD23 LEU 49 2HD2 LEU 49 5.173 -0.634 5.283 413 H ILE 50 H ILE 50 1.881 3.147 5.885 414 HA ILE 50 HA ILE 50 2.847 5.914 5.653 415 HB ILE 50 HB ILE 50 2.295 5.942 3.277 416 HG12 ILE 50 2HG1 ILE 50 1.900 2.954 3.408 417 HG13 ILE 50 1HG1 ILE 50 0.556 4.090 3.493 418 HG21 ILE 50 1HG2 ILE 50 4.109 4.526 2.428 419 HG22 ILE 50 2HG2 ILE 50 4.177 3.695 3.981 420 HG23 ILE 50 3HG2 ILE 50 4.580 5.410 3.878 421 HD11 ILE 50 3HD1 ILE 50 0.877 3.201 1.244 422 HD12 ILE 50 1HD1 ILE 50 2.507 3.875 1.210 423 HD13 ILE 50 2HD1 ILE 50 1.107 4.949 1.301 424 H THR 51 H THR 51 0.915 7.069 4.236 425 HA THR 51 HA THR 51 -1.596 6.201 5.487 426 HB THR 51 HB THR 51 -0.809 8.242 6.587 427 HG1 THR 51 HG1 THR 51 -2.748 9.601 5.725 428 HG21 THR 51 3HG2 THR 51 -0.965 9.511 3.850 429 HG22 THR 51 1HG2 THR 51 0.515 9.178 4.749 430 HG23 THR 51 2HG2 THR 51 -0.644 10.353 5.366 431 H GLU 52 H GLU 52 -3.534 7.131 4.317 432 HA GLU 52 HA GLU 52 -3.631 6.134 1.725 433 HB2 GLU 52 2HB GLU 52 -5.390 7.910 3.355 434 HB3 GLU 52 1HB GLU 52 -5.751 7.687 1.646 435 HG2 GLU 52 2HG GLU 52 -6.303 5.516 1.896 436 HG3 GLU 52 1HG GLU 52 -5.237 5.274 3.275 437 H ARG 53 H ARG 53 -3.369 9.484 2.813 438 HA ARG 53 HA ARG 53 -3.499 10.653 0.268 439 HE ARG 53 HE ARG 53 -6.575 12.094 0.869 440 HB2 ARG 53 2HB ARG 53 -2.494 11.582 2.940 441 HB3 ARG 53 1HB ARG 53 -2.241 12.579 1.513 442 HG2 ARG 53 2HG ARG 53 -4.954 11.574 2.312 443 HG3 ARG 53 1HG ARG 53 -4.282 13.093 2.913 444 HD2 ARG 53 2HD ARG 53 -4.916 14.119 1.050 445 HD3 ARG 53 1HD ARG 53 -3.912 13.024 0.104 446 HH11 ARG 53 1HH1 ARG 53 -4.401 13.312 -1.601 447 HH12 ARG 53 2HH1 ARG 53 -5.484 12.950 -2.918 448 HH21 ARG 53 1HH2 ARG 53 -8.001 11.589 -0.867 449 HH22 ARG 53 2HH2 ARG 53 -7.514 11.970 -2.495 450 H GLU 54 H GLU 54 -0.889 9.250 2.065 451 HA GLU 54 HA GLU 54 1.251 10.272 0.491 452 HB2 GLU 54 2HB GLU 54 1.683 9.500 2.735 453 HB3 GLU 54 1HB GLU 54 1.022 7.915 2.372 454 HG2 GLU 54 2HG GLU 54 3.425 7.824 2.499 455 HG3 GLU 54 1HG GLU 54 2.890 7.488 0.855 456 H ALA 55 H ALA 55 -0.565 7.234 0.532 457 HA ALA 55 HA ALA 55 0.904 5.979 -1.536 458 HB1 ALA 55 3HB ALA 55 -1.884 5.438 -0.521 459 HB2 ALA 55 1HB ALA 55 -0.394 4.689 0.054 460 HB3 ALA 55 2HB ALA 55 -0.968 4.374 -1.585 461 H LEU 56 H LEU 56 -2.220 7.665 -1.504 462 HA LEU 56 HA LEU 56 -2.863 7.253 -4.201 463 HG LEU 56 HG LEU 56 -4.279 7.398 -1.412 464 HB2 LEU 56 2HB LEU 56 -3.659 9.574 -2.442 465 HB3 LEU 56 1HB LEU 56 -4.463 9.074 -3.916 466 HD11 LEU 56 1HD1 LEU 56 -5.638 9.385 -1.048 467 HD12 LEU 56 2HD1 LEU 56 -6.630 7.930 -1.090 468 HD13 LEU 56 3HD1 LEU 56 -6.587 9.008 -2.486 469 HD21 LEU 56 3HD2 LEU 56 -5.863 7.035 -3.952 470 HD22 LEU 56 1HD2 LEU 56 -5.984 6.025 -2.512 471 HD23 LEU 56 2HD2 LEU 56 -4.480 6.069 -3.433 472 H ASP 57 H ASP 57 -0.955 9.738 -2.613 473 HA ASP 57 HA ASP 57 -0.819 11.487 -4.847 474 HB2 ASP 57 2HB ASP 57 -0.388 12.222 -2.527 475 HB3 ASP 57 1HB ASP 57 1.085 11.260 -2.510 476 H ARG 58 H ARG 58 1.573 9.224 -3.476 477 HA ARG 58 HA ARG 58 3.506 9.752 -5.465 478 HE ARG 58 HE ARG 58 4.310 7.824 -1.261 479 HB2 ARG 58 2HB ARG 58 4.713 7.815 -4.582 480 HB3 ARG 58 1HB ARG 58 4.132 8.852 -3.288 481 HG2 ARG 58 2HG ARG 58 2.361 7.327 -2.773 482 HG3 ARG 58 1HG ARG 58 2.754 6.333 -4.178 483 HD2 ARG 58 2HD ARG 58 3.615 5.358 -2.095 484 HD3 ARG 58 1HD ARG 58 4.911 5.781 -3.213 485 HH11 ARG 58 1HH1 ARG 58 6.170 4.932 -1.923 486 HH12 ARG 58 2HH1 ARG 58 7.427 5.320 -0.789 487 HH21 ARG 58 1HH2 ARG 58 5.948 8.354 0.209 488 HH22 ARG 58 2HH2 ARG 58 7.304 7.284 0.425 489 H TYR 59 H TYR 59 0.964 7.305 -5.251 490 HA TYR 59 HA TYR 59 2.021 5.989 -7.631 491 HD1 TYR 59 HD2 TYR 59 2.785 3.718 -7.321 492 HD2 TYR 59 HD1 TYR 59 0.587 4.513 -3.764 493 HE1 TYR 59 HE2 TYR 59 4.428 2.428 -6.023 494 HE2 TYR 59 HE1 TYR 59 2.227 3.228 -2.459 495 HH TYR 59 HH TYR 59 5.152 1.929 -3.948 496 HB2 TYR 59 2HB TYR 59 -0.247 5.265 -5.779 497 HB3 TYR 59 1HB TYR 59 0.176 4.341 -7.215 498 H SER 60 H SER 60 0.110 8.589 -7.123 499 HA SER 60 HA SER 60 -1.401 9.746 -8.367 500 HG SER 60 HG SER 60 1.273 8.992 -9.828 501 HB2 SER 60 2HB SER 60 -0.492 7.875 -10.568 502 HB3 SER 60 1HB SER 60 -1.358 9.394 -10.800 503 H LEU 61 H LEU 61 -2.421 7.695 -6.803 504 HA LEU 61 HA LEU 61 -4.378 6.253 -8.423 505 HG LEU 61 HG LEU 61 -1.982 5.099 -6.902 506 HB2 LEU 61 2HB LEU 61 -3.759 6.113 -5.470 507 HB3 LEU 61 1HB LEU 61 -4.934 5.113 -6.298 508 HD11 LEU 61 1HD1 LEU 61 -2.399 4.298 -4.646 509 HD12 LEU 61 2HD1 LEU 61 -1.948 2.963 -5.708 510 HD13 LEU 61 3HD1 LEU 61 -3.637 3.197 -5.252 511 HD21 LEU 61 3HD2 LEU 61 -4.224 3.272 -7.754 512 HD22 LEU 61 1HD2 LEU 61 -2.510 3.032 -8.103 513 HD23 LEU 61 2HD2 LEU 61 -3.363 4.417 -8.785 514 H SER 62 H SER 62 -6.626 6.154 -7.544 515 HA SER 62 HA SER 62 -7.468 8.794 -6.574 516 HG SER 62 HG SER 62 -7.333 8.144 -9.035 517 HB2 SER 62 2HB SER 62 -9.138 6.659 -7.937 518 HB3 SER 62 1HB SER 62 -9.644 8.305 -7.549 519 H GLU 63 H GLU 63 -9.116 8.870 -4.933 520 HA GLU 63 HA GLU 63 -8.522 7.181 -2.770 521 HB2 GLU 63 2HB GLU 63 -9.526 9.618 -2.949 522 HB3 GLU 63 1HB GLU 63 -11.054 8.755 -2.848 523 HG2 GLU 63 2HG GLU 63 -10.529 7.878 -0.725 524 HG3 GLU 63 1HG GLU 63 -8.845 8.384 -0.860 525 H GLU 64 H GLU 64 -11.141 7.192 -5.121 526 HA GLU 64 HA GLU 64 -12.673 5.134 -3.863 527 HB2 GLU 64 2HB GLU 64 -13.772 4.947 -6.134 528 HB3 GLU 64 1HB GLU 64 -13.848 6.528 -5.376 529 HG2 GLU 64 2HG GLU 64 -11.632 5.961 -7.277 530 HG3 GLU 64 1HG GLU 64 -13.246 6.255 -7.915 531 H GLU 65 H GLU 65 -9.908 5.160 -5.921 532 HA GLU 65 HA GLU 65 -10.066 2.467 -6.847 533 HB2 GLU 65 2HB GLU 65 -8.688 4.119 -7.999 534 HB3 GLU 65 1HB GLU 65 -7.728 4.375 -6.551 535 HG2 GLU 65 2HG GLU 65 -6.501 3.054 -8.140 536 HG3 GLU 65 1HG GLU 65 -6.877 2.084 -6.722 537 H PHE 66 H PHE 66 -8.264 4.079 -4.238 538 HA PHE 66 HA PHE 66 -7.112 1.752 -3.154 539 HD1 PHE 66 HD1 PHE 66 -4.610 2.537 -2.100 540 HD2 PHE 66 HD2 PHE 66 -7.834 3.340 0.553 541 HE1 PHE 66 HE1 PHE 66 -3.307 1.589 -0.243 542 HE2 PHE 66 HE2 PHE 66 -6.536 2.392 2.419 543 HZ PHE 66 HZ PHE 66 -4.272 1.517 2.022 544 HB2 PHE 66 2HB PHE 66 -6.414 4.126 -2.672 545 HB3 PHE 66 1HB PHE 66 -7.827 4.263 -1.628 546 H ALA 67 H ALA 67 -10.237 3.261 -2.726 547 HA ALA 67 HA ALA 67 -11.153 1.842 -0.493 548 HB1 ALA 67 3HB ALA 67 -12.755 2.756 -2.882 549 HB2 ALA 67 1HB ALA 67 -12.361 3.742 -1.473 550 HB3 ALA 67 2HB ALA 67 -13.400 2.327 -1.298 551 H LEU 68 H LEU 68 -11.112 0.990 -3.927 552 HA LEU 68 HA LEU 68 -12.456 -1.490 -3.652 553 HG LEU 68 HG LEU 68 -12.434 0.844 -5.772 554 HB2 LEU 68 2HB LEU 68 -10.457 -0.616 -5.741 555 HB3 LEU 68 1HB LEU 68 -11.494 -2.023 -5.857 556 HD11 LEU 68 1HD1 LEU 68 -12.331 -1.151 -8.031 557 HD12 LEU 68 2HD1 LEU 68 -11.312 0.279 -7.859 558 HD13 LEU 68 3HD1 LEU 68 -13.049 0.459 -8.109 559 HD21 LEU 68 3HD2 LEU 68 -13.965 -1.725 -6.169 560 HD22 LEU 68 1HD2 LEU 68 -14.630 -0.096 -6.297 561 HD23 LEU 68 2HD2 LEU 68 -14.033 -0.688 -4.746 562 H TRP 69 H TRP 69 -9.045 -0.552 -3.651 563 HA TRP 69 HA TRP 69 -7.855 -3.062 -3.530 564 HD1 TRP 69 HD1 TRP 69 -8.022 -0.987 -5.353 565 HE1 TRP 69 HE1 TRP 69 -6.438 -0.140 -7.190 566 HE3 TRP 69 HE3 TRP 69 -3.706 -0.755 -2.628 567 HZ2 TRP 69 HZ2 TRP 69 -3.708 0.521 -7.444 568 HZ3 TRP 69 HZ3 TRP 69 -1.648 -0.008 -3.751 569 HH2 TRP 69 HH2 TRP 69 -1.651 0.613 -6.108 570 HB2 TRP 69 2HB TRP 69 -7.002 -0.490 -2.189 571 HB3 TRP 69 1HB TRP 69 -5.995 -1.928 -2.277 572 H ARG 70 H ARG 70 -8.833 -1.013 -0.781 573 HA ARG 70 HA ARG 70 -8.036 -2.947 1.149 574 HE ARG 70 HE ARG 70 -9.262 0.627 3.773 575 HB2 ARG 70 2HB ARG 70 -8.942 -1.460 2.799 576 HB3 ARG 70 1HB ARG 70 -8.135 -0.493 1.575 577 HG2 ARG 70 2HG ARG 70 -10.599 -0.414 0.581 578 HG3 ARG 70 1HG ARG 70 -11.000 -0.672 2.278 579 HD2 ARG 70 2HD ARG 70 -9.340 1.552 1.116 580 HD3 ARG 70 1HD ARG 70 -10.945 1.685 1.825 581 HH11 ARG 70 1HH1 ARG 70 -9.659 3.562 1.930 582 HH12 ARG 70 2HH1 ARG 70 -8.917 4.590 3.124 583 HH21 ARG 70 1HH2 ARG 70 -8.303 1.958 5.375 584 HH22 ARG 70 2HH2 ARG 70 -8.168 3.668 5.100 585 H SER 71 H SER 71 -11.004 -2.337 -0.569 586 HA SER 71 HA SER 71 -12.653 -3.877 1.196 587 HG SER 71 HG SER 71 -14.891 -4.417 -0.745 588 HB2 SER 71 2HB SER 71 -13.419 -2.024 -0.412 589 HB3 SER 71 1HB SER 71 -13.287 -3.235 -1.686 590 H ALA 72 H ALA 72 -10.676 -4.527 -1.599 591 HA ALA 72 HA ALA 72 -11.775 -7.181 -1.955 592 HB1 ALA 72 3HB ALA 72 -10.193 -7.406 -3.766 593 HB2 ALA 72 1HB ALA 72 -9.370 -5.928 -3.267 594 HB3 ALA 72 2HB ALA 72 -11.022 -5.854 -3.883 595 H VAL 73 H VAL 73 -8.843 -5.722 -0.610 596 HA VAL 73 HA VAL 73 -7.648 -8.318 -0.154 597 HB VAL 73 HB VAL 73 -6.685 -5.575 0.675 598 HG11 VAL 73 1HG1 VAL 73 -5.760 -7.309 2.114 599 HG12 VAL 73 2HG1 VAL 73 -4.515 -6.672 1.037 600 HG13 VAL 73 3HG1 VAL 73 -5.260 -8.234 0.699 601 HG21 VAL 73 3HG2 VAL 73 -6.777 -5.849 -1.747 602 HG22 VAL 73 1HG2 VAL 73 -5.856 -7.346 -1.620 603 HG23 VAL 73 2HG2 VAL 73 -5.106 -5.810 -1.183 604 H ALA 74 H ALA 74 -8.371 -5.593 2.041 605 HA ALA 74 HA ALA 74 -8.071 -7.276 4.334 606 HB1 ALA 74 3HB ALA 74 -8.655 -5.297 5.626 607 HB2 ALA 74 1HB ALA 74 -9.155 -4.467 4.152 608 HB3 ALA 74 2HB ALA 74 -7.464 -4.904 4.387 609 H ALA 75 H ALA 75 -10.806 -5.919 2.574 610 HA ALA 75 HA ALA 75 -12.677 -6.947 4.549 611 HB1 ALA 75 3HB ALA 75 -13.023 -4.714 3.596 612 HB2 ALA 75 1HB ALA 75 -14.386 -5.787 3.282 613 HB3 ALA 75 2HB ALA 75 -13.227 -5.435 2.001 614 H HIS 76 H HIS 76 -11.013 -8.524 2.367 615 HA HIS 76 HA HIS 76 -12.915 -9.981 0.877 616 HD1 HIS 76 HD1 HIS 76 -10.286 -13.400 1.882 617 HD2 HIS 76 HD2 HIS 76 -12.132 -11.678 -1.428 618 HE1 HIS 76 HE1 HIS 76 -10.863 -15.312 0.355 619 HE2 HIS 76 HE2 HIS 76 -12.153 -14.270 -1.538 620 HB2 HIS 76 2HB HIS 76 -10.481 -10.094 0.447 621 HB3 HIS 76 1HB HIS 76 -10.255 -10.927 1.981 622 H GLY 77 H GLY 77 -11.696 -10.264 4.141 623 HA2 GLY 77 2HA GLY 77 -13.756 -12.300 4.686 624 HA3 GLY 77 1HA GLY 77 -12.279 -12.109 5.625 625 H GLU 78 H GLU 78 -15.297 -10.498 4.741 626 HA GLU 78 HA GLU 78 -15.065 -8.815 7.139 627 HB2 GLU 78 2HB GLU 78 -16.833 -7.443 6.139 628 HB3 GLU 78 1HB GLU 78 -15.471 -7.619 5.041 629 HG2 GLU 78 2HG GLU 78 -16.642 -9.022 3.611 630 HG3 GLU 78 1HG GLU 78 -17.835 -9.441 4.840 631 H LYS 79 H LYS 79 -16.279 -11.721 6.374 632 HA LYS 79 HA LYS 79 -18.900 -11.375 7.604 633 HB2 LYS 79 2HB LYS 79 -17.635 -13.853 6.422 634 HB3 LYS 79 1HB LYS 79 -19.309 -13.692 6.936 635 HG2 LYS 79 2HG LYS 79 -17.987 -12.200 4.681 636 HG3 LYS 79 1HG LYS 79 -19.131 -13.531 4.531 637 HD2 LYS 79 2HD LYS 79 -19.827 -10.973 5.952 638 HD3 LYS 79 1HD LYS 79 -20.031 -11.160 4.211 639 HE2 LYS 79 2HE LYS 79 -22.132 -11.650 5.152 640 HE3 LYS 79 1HE LYS 79 -21.427 -13.207 4.727 641 HZ1 LYS 79 3HZ LYS 79 -20.873 -13.597 7.010 642 HZ2 LYS 79 1HZ LYS 79 -22.511 -13.168 6.921 643 HZ3 LYS 79 2HZ LYS 79 -21.368 -12.034 7.459 644 H ALA 80 H ALA 80 -15.740 -12.433 8.387 645 HA ALA 80 HA ALA 80 -16.680 -13.782 10.809 646 HB1 ALA 80 3HB ALA 80 -14.401 -14.570 11.082 647 HB2 ALA 80 1HB ALA 80 -13.870 -13.582 9.721 648 HB3 ALA 80 2HB ALA 80 -14.970 -14.933 9.452 649 H LEU 81 H LEU 81 -17.357 -11.989 12.000 650 HA LEU 81 HA LEU 81 -15.537 -9.808 12.467 651 HG LEU 81 HG LEU 81 -17.306 -8.310 11.742 652 HB2 LEU 81 2HB LEU 81 -18.240 -10.472 13.615 653 HB3 LEU 81 1HB LEU 81 -17.292 -9.107 14.168 654 HD11 LEU 81 1HD1 LEU 81 -18.022 -10.379 10.686 655 HD12 LEU 81 2HD1 LEU 81 -19.172 -9.082 10.369 656 HD13 LEU 81 3HD1 LEU 81 -19.548 -10.315 11.571 657 HD21 LEU 81 3HD2 LEU 81 -18.591 -7.233 13.485 658 HD22 LEU 81 1HD2 LEU 81 -19.881 -8.422 13.296 659 HD23 LEU 81 2HD2 LEU 81 -19.521 -7.295 11.988 660 H LYS 82 H LYS 82 -13.811 -11.197 13.230 661 HA LYS 82 HA LYS 82 -14.115 -12.084 16.001 662 HB2 LYS 82 2HB LYS 82 -12.874 -13.368 14.056 663 HB3 LYS 82 1HB LYS 82 -11.549 -12.287 14.466 664 HG2 LYS 82 2HG LYS 82 -11.301 -14.398 15.615 665 HG3 LYS 82 1HG LYS 82 -11.617 -13.106 16.777 666 HD2 LYS 82 2HD LYS 82 -13.899 -13.779 17.010 667 HD3 LYS 82 1HD LYS 82 -13.752 -14.928 15.679 668 HE2 LYS 82 2HE LYS 82 -12.282 -15.100 18.311 669 HE3 LYS 82 1HE LYS 82 -13.715 -16.029 17.875 670 HZ1 LYS 82 3HZ LYS 82 -10.983 -16.230 16.760 671 HZ2 LYS 82 1HZ LYS 82 -12.328 -16.830 15.912 672 HZ3 LYS 82 2HZ LYS 82 -11.947 -17.449 17.444 673 H VAL 83 H VAL 83 -12.196 -11.459 17.459 674 HA VAL 83 HA VAL 83 -12.346 -8.740 17.905 675 HB VAL 83 HB VAL 83 -11.731 -10.333 19.641 676 HG11 VAL 83 1HG1 VAL 83 -10.251 -11.786 18.381 677 HG12 VAL 83 2HG1 VAL 83 -9.440 -11.184 19.828 678 HG13 VAL 83 3HG1 VAL 83 -9.060 -10.492 18.250 679 HG21 VAL 83 3HG2 VAL 83 -10.013 -8.983 20.752 680 HG22 VAL 83 1HG2 VAL 83 -11.252 -7.982 19.998 681 HG23 VAL 83 2HG2 VAL 83 -9.677 -8.163 19.227 682 H THR 84 H THR 84 -10.004 -10.453 15.936 683 HA THR 84 HA THR 84 -8.180 -8.244 15.753 684 HB THR 84 HB THR 84 -8.274 -10.459 13.736 685 HG1 THR 84 HG1 THR 84 -6.861 -11.001 16.067 686 HG21 THR 84 3HG2 THR 84 -6.003 -9.094 15.195 687 HG22 THR 84 1HG2 THR 84 -6.549 -8.708 13.563 688 HG23 THR 84 2HG2 THR 84 -5.841 -10.287 13.907 689 H MET 85 H MET 85 -11.154 -9.008 14.283 690 HA MET 85 HA MET 85 -10.462 -7.890 11.698 691 HB2 MET 85 2HB MET 85 -12.846 -9.361 12.761 692 HB3 MET 85 1HB MET 85 -12.936 -8.494 11.231 693 HG2 MET 85 2HG MET 85 -12.447 -10.799 10.806 694 HG3 MET 85 1HG MET 85 -11.035 -9.828 10.401 695 HE1 MET 85 3HE MET 85 -10.927 -12.984 10.718 696 HE2 MET 85 1HE MET 85 -9.441 -13.179 11.648 697 HE3 MET 85 2HE MET 85 -9.516 -11.996 10.341 698 H ILE 86 H ILE 86 -11.870 -6.763 14.604 699 HA ILE 86 HA ILE 86 -13.728 -4.928 13.568 700 HB ILE 86 HB ILE 86 -12.150 -4.833 16.139 701 HG12 ILE 86 2HG1 ILE 86 -14.677 -5.157 16.912 702 HG13 ILE 86 1HG1 ILE 86 -14.824 -5.841 15.297 703 HG21 ILE 86 1HG2 ILE 86 -13.719 -3.093 16.888 704 HG22 ILE 86 2HG2 ILE 86 -14.387 -3.015 15.257 705 HG23 ILE 86 3HG2 ILE 86 -12.710 -2.552 15.544 706 HD11 ILE 86 3HD1 ILE 86 -12.927 -6.755 17.439 707 HD12 ILE 86 1HD1 ILE 86 -13.055 -7.438 15.817 708 HD13 ILE 86 2HD1 ILE 86 -14.412 -7.563 16.938 709 H GLN 87 H GLN 87 -10.262 -4.800 13.809 710 HA GLN 87 HA GLN 87 -9.865 -2.040 13.572 711 HB2 GLN 87 2HB GLN 87 -8.129 -3.752 14.150 712 HB3 GLN 87 1HB GLN 87 -8.085 -4.206 12.453 713 HG2 GLN 87 2HG GLN 87 -7.386 -1.938 11.866 714 HG3 GLN 87 1HG GLN 87 -7.417 -1.494 13.571 715 HE21 GLN 87 1HE2 GLN 87 -5.872 -2.387 14.976 716 HE22 GLN 87 2HE2 GLN 87 -4.381 -3.026 14.369 717 H LYS 88 H LYS 88 -10.456 -4.511 11.114 718 HA LYS 88 HA LYS 88 -9.789 -2.806 8.914 719 HB2 LYS 88 2HB LYS 88 -10.460 -4.563 7.490 720 HB3 LYS 88 1HB LYS 88 -9.766 -5.356 8.897 721 HG2 LYS 88 2HG LYS 88 -11.969 -5.846 9.757 722 HG3 LYS 88 1HG LYS 88 -12.712 -4.951 8.432 723 HD2 LYS 88 2HD LYS 88 -12.842 -7.303 7.955 724 HD3 LYS 88 1HD LYS 88 -11.689 -6.560 6.844 725 HE2 LYS 88 2HE LYS 88 -9.844 -7.332 8.263 726 HE3 LYS 88 1HE LYS 88 -11.005 -8.099 9.348 727 HZ1 LYS 88 3HZ LYS 88 -10.050 -9.686 7.798 728 HZ2 LYS 88 1HZ LYS 88 -10.609 -8.771 6.484 729 HZ3 LYS 88 2HZ LYS 88 -11.717 -9.519 7.527 730 H TYR 89 H TYR 89 -12.655 -3.410 10.781 731 HA TYR 89 HA TYR 89 -14.440 -2.270 8.829 732 HD1 TYR 89 HD2 TYR 89 -15.464 -4.204 8.332 733 HD2 TYR 89 HD1 TYR 89 -15.154 -4.976 12.502 734 HE1 TYR 89 HE2 TYR 89 -15.595 -6.620 7.889 735 HE2 TYR 89 HE1 TYR 89 -15.280 -7.391 12.072 736 HH TYR 89 HH TYR 89 -16.164 -8.901 10.274 737 HB2 TYR 89 2HB TYR 89 -14.956 -2.804 11.766 738 HB3 TYR 89 1HB TYR 89 -16.168 -2.494 10.528 739 H ARG 90 H ARG 90 -12.608 -1.185 11.593 740 HA ARG 90 HA ARG 90 -13.929 1.364 11.715 741 HE ARG 90 HE ARG 90 -10.652 0.359 15.010 742 HB2 ARG 90 2HB ARG 90 -11.375 0.406 13.013 743 HB3 ARG 90 1HB ARG 90 -12.147 1.953 13.340 744 HG2 ARG 90 2HG ARG 90 -14.193 0.646 14.020 745 HG3 ARG 90 1HG ARG 90 -13.185 -0.799 13.943 746 HD2 ARG 90 2HD ARG 90 -12.756 1.609 15.704 747 HD3 ARG 90 1HD ARG 90 -13.314 0.019 16.218 748 HH11 ARG 90 1HH1 ARG 90 -12.699 -0.692 17.652 749 HH12 ARG 90 2HH1 ARG 90 -11.378 -1.369 18.568 750 HH21 ARG 90 1HH2 ARG 90 -8.927 -0.522 16.198 751 HH22 ARG 90 2HH2 ARG 90 -9.237 -1.273 17.741 752 H GLN 91 H GLN 91 -11.180 0.037 10.005 753 HA GLN 91 HA GLN 91 -10.265 2.678 9.245 754 HB2 GLN 91 2HB GLN 91 -8.571 1.601 7.905 755 HB3 GLN 91 1HB GLN 91 -8.611 0.871 9.496 756 HG2 GLN 91 2HG GLN 91 -8.292 -0.915 8.068 757 HG3 GLN 91 1HG GLN 91 -10.017 -0.971 8.413 758 HE21 GLN 91 1HE2 GLN 91 -11.424 -0.892 6.742 759 HE22 GLN 91 2HE2 GLN 91 -10.972 -0.652 5.090 760 H LEU 92 H LEU 92 -12.653 0.552 8.313 761 HA LEU 92 HA LEU 92 -12.880 1.424 5.579 762 HG LEU 92 HG LEU 92 -15.053 0.665 4.500 763 HB2 LEU 92 2HB LEU 92 -13.702 -0.777 6.300 764 HB3 LEU 92 1HB LEU 92 -14.829 -0.008 7.395 765 HD11 LEU 92 1HD1 LEU 92 -16.004 -1.934 5.705 766 HD12 LEU 92 2HD1 LEU 92 -14.750 -1.760 4.478 767 HD13 LEU 92 3HD1 LEU 92 -16.419 -1.328 4.100 768 HD21 LEU 92 3HD2 LEU 92 -16.506 1.723 6.161 769 HD22 LEU 92 1HD2 LEU 92 -17.055 0.136 6.694 770 HD23 LEU 92 2HD2 LEU 92 -17.432 0.696 5.066 771 H HIS 93 H HIS 93 -13.907 2.393 8.714 772 HA HIS 93 HA HIS 93 -15.845 4.318 7.834 773 HD1 HIS 93 HD1 HIS 93 -14.874 5.829 12.102 774 HD2 HIS 93 HD2 HIS 93 -17.750 5.700 9.100 775 HE1 HIS 93 HE1 HIS 93 -16.383 7.800 12.523 776 HE2 HIS 93 HE2 HIS 93 -17.976 7.814 10.570 777 HB2 HIS 93 2HB HIS 93 -16.004 3.277 10.066 778 HB3 HIS 93 1HB HIS 93 -14.459 3.990 10.511 779 H HIS 94 H HIS 94 -14.259 5.161 6.208 780 HA HIS 94 HA HIS 94 -12.335 7.052 7.332 781 HD1 HIS 94 HD1 HIS 94 -11.328 8.374 3.275 782 HD2 HIS 94 HD2 HIS 94 -9.786 6.923 6.856 783 HE1 HIS 94 HE1 HIS 94 -9.076 9.454 3.534 784 HE2 HIS 94 HE2 HIS 94 -8.084 8.386 5.586 785 HB2 HIS 94 2HB HIS 94 -11.998 5.529 5.218 786 HB3 HIS 94 1HB HIS 94 -12.892 6.802 4.394 787 H HIS 95 H HIS 95 -15.527 6.933 6.676 788 HA HIS 95 HA HIS 95 -15.726 9.803 6.946 789 HD1 HIS 95 HD1 HIS 95 -15.903 7.324 3.274 790 HD2 HIS 95 HD2 HIS 95 -19.548 8.079 5.144 791 HE1 HIS 95 HE1 HIS 95 -17.504 5.591 2.389 792 HE2 HIS 95 HE2 HIS 95 -19.730 6.152 3.429 793 HB2 HIS 95 2HB HIS 95 -17.491 10.034 5.243 794 HB3 HIS 95 1HB HIS 95 -15.964 9.546 4.528 Start of MODEL 7 1 HA MET 1 HA MET 1 18.092 16.677 6.604 2 H1 MET 1 1H MET 1 18.325 18.587 5.187 3 H2 MET 1 2H MET 1 19.283 19.374 6.341 4 H3 MET 1 3H MET 1 17.658 19.050 6.677 5 HB2 MET 1 2HB MET 1 19.985 16.698 5.073 6 HB3 MET 1 1HB MET 1 20.951 17.594 6.235 7 HG2 MET 1 2HG MET 1 20.821 15.675 7.778 8 HG3 MET 1 1HG MET 1 19.931 14.780 6.549 9 HE1 MET 1 3HE MET 1 21.762 12.820 6.818 10 HE2 MET 1 1HE MET 1 22.653 13.791 7.996 11 HE3 MET 1 2HE MET 1 23.493 13.082 6.617 12 H TYR 2 H TYR 2 20.109 19.211 8.069 13 HA TYR 2 HA TYR 2 20.325 17.708 10.532 14 HD1 TYR 2 HD1 TYR 2 22.293 19.369 7.676 15 HD2 TYR 2 HD2 TYR 2 23.335 18.058 11.589 16 HE1 TYR 2 HE1 TYR 2 24.265 18.225 6.761 17 HE2 TYR 2 HE2 TYR 2 25.313 16.908 10.684 18 HH TYR 2 HH TYR 2 26.421 17.409 7.470 19 HB2 TYR 2 2HB TYR 2 21.347 20.440 9.737 20 HB3 TYR 2 1HB TYR 2 21.640 19.696 11.306 21 H LEU 3 H LEU 3 18.148 17.581 11.070 22 HA LEU 3 HA LEU 3 17.310 19.376 13.032 23 HG LEU 3 HG LEU 3 15.823 21.361 13.026 24 HB2 LEU 3 2HB LEU 3 16.799 20.671 10.822 25 HB3 LEU 3 1HB LEU 3 15.482 19.529 10.645 26 HD11 LEU 3 1HD1 LEU 3 15.453 22.641 10.994 27 HD12 LEU 3 2HD1 LEU 3 14.029 22.685 12.034 28 HD13 LEU 3 3HD1 LEU 3 14.050 21.646 10.607 29 HD21 LEU 3 3HD2 LEU 3 13.473 19.694 12.123 30 HD22 LEU 3 1HD2 LEU 3 13.497 20.791 13.505 31 HD23 LEU 3 2HD2 LEU 3 14.513 19.348 13.505 32 H LYS 4 H LYS 4 15.384 17.775 10.535 33 HA LYS 4 HA LYS 4 15.103 15.317 11.897 34 HB2 LYS 4 2HB LYS 4 13.672 16.738 13.377 35 HB3 LYS 4 1HB LYS 4 12.668 17.114 11.983 36 HG2 LYS 4 2HG LYS 4 12.261 14.649 11.738 37 HG3 LYS 4 1HG LYS 4 13.064 14.438 13.293 38 HD2 LYS 4 2HD LYS 4 10.671 14.500 13.614 39 HD3 LYS 4 1HD LYS 4 11.396 15.946 14.316 40 HE2 LYS 4 2HE LYS 4 10.755 17.249 12.386 41 HE3 LYS 4 1HE LYS 4 10.127 15.811 11.584 42 HZ1 LYS 4 3HZ LYS 4 8.382 17.173 12.593 43 HZ2 LYS 4 1HZ LYS 4 9.068 16.936 14.127 44 HZ3 LYS 4 2HZ LYS 4 8.437 15.617 13.264 45 H ARG 5 H ARG 5 14.834 13.932 10.311 46 HA ARG 5 HA ARG 5 13.455 14.755 7.857 47 HE ARG 5 HE ARG 5 14.332 10.324 4.752 48 HB2 ARG 5 2HB ARG 5 15.653 13.712 7.583 49 HB3 ARG 5 1HB ARG 5 15.135 12.318 8.516 50 HG2 ARG 5 2HG ARG 5 13.601 11.663 6.793 51 HG3 ARG 5 1HG ARG 5 13.921 13.144 5.891 52 HD2 ARG 5 2HD ARG 5 16.222 12.457 5.531 53 HD3 ARG 5 1HD ARG 5 15.957 11.006 6.500 54 HH11 ARG 5 1HH1 ARG 5 16.813 12.654 3.962 55 HH12 ARG 5 2HH1 ARG 5 16.847 12.242 2.275 56 HH21 ARG 5 1HH2 ARG 5 14.348 9.780 2.551 57 HH22 ARG 5 2HH2 ARG 5 15.407 10.624 1.459 58 H VAL 6 H VAL 6 11.887 13.080 6.943 59 HA VAL 6 HA VAL 6 9.933 12.401 8.864 60 HB VAL 6 HB VAL 6 10.224 11.283 6.071 61 HG11 VAL 6 1HG1 VAL 6 7.815 10.857 6.227 62 HG12 VAL 6 2HG1 VAL 6 7.828 11.416 7.898 63 HG13 VAL 6 3HG1 VAL 6 8.714 9.957 7.451 64 HG21 VAL 6 3HG2 VAL 6 10.123 13.715 6.045 65 HG22 VAL 6 1HG2 VAL 6 8.683 13.680 7.061 66 HG23 VAL 6 2HG2 VAL 6 8.623 13.025 5.425 67 H ASP 7 H ASP 7 10.933 11.203 10.461 68 HA ASP 7 HA ASP 7 11.506 8.409 9.731 69 HB2 ASP 7 2HB ASP 7 13.576 9.617 10.405 70 HB3 ASP 7 1HB ASP 7 12.831 9.980 11.958 71 H GLY 8 H GLY 8 9.926 7.222 10.419 72 HA2 GLY 8 2HA GLY 8 9.120 7.296 13.195 73 HA3 GLY 8 1HA GLY 8 7.844 7.696 12.045 74 HA PRO 9 HA PRO 9 7.437 3.254 11.714 75 HB2 PRO 9 2HB PRO 9 5.395 3.209 9.963 76 HB3 PRO 9 1HB PRO 9 5.156 3.618 11.667 77 HG2 PRO 9 2HG PRO 9 5.350 5.428 9.293 78 HG3 PRO 9 1HG PRO 9 4.262 5.525 10.690 79 HD2 PRO 9 2HD PRO 9 6.543 7.024 10.417 80 HD3 PRO 9 1HD PRO 9 5.822 6.595 11.980 81 H ARG 10 H ARG 10 9.516 3.093 10.667 82 HA ARG 10 HA ARG 10 9.625 3.487 7.802 83 HE ARG 10 HE ARG 10 13.662 2.487 10.039 84 HB2 ARG 10 2HB ARG 10 11.681 2.258 9.647 85 HB3 ARG 10 1HB ARG 10 11.941 2.736 7.972 86 HG2 ARG 10 2HG ARG 10 11.445 5.073 8.606 87 HG3 ARG 10 1HG ARG 10 11.320 4.553 10.290 88 HD2 ARG 10 2HD ARG 10 13.746 4.455 8.504 89 HD3 ARG 10 1HD ARG 10 13.513 5.440 9.948 90 HH11 ARG 10 1HH1 ARG 10 14.516 5.656 11.300 91 HH12 ARG 10 2HH1 ARG 10 15.506 4.999 12.575 92 HH21 ARG 10 1HH2 ARG 10 14.952 1.651 11.692 93 HH22 ARG 10 2HH2 ARG 10 15.738 2.723 12.810 94 H GLN 11 H GLN 11 8.808 0.996 9.968 95 HA GLN 11 HA GLN 11 8.311 -0.817 7.787 96 HB2 GLN 11 2HB GLN 11 9.547 -2.699 8.772 97 HB3 GLN 11 1HB GLN 11 10.621 -1.389 8.300 98 HG2 GLN 11 2HG GLN 11 10.753 -0.654 10.619 99 HG3 GLN 11 1HG GLN 11 9.669 -1.959 11.098 100 HE21 GLN 11 1HE2 GLN 11 11.130 -2.938 12.441 101 HE22 GLN 11 2HE2 GLN 11 12.555 -3.745 11.868 102 H VAL 12 H VAL 12 6.673 -2.205 8.191 103 HA VAL 12 HA VAL 12 5.569 -2.198 10.921 104 HB VAL 12 HB VAL 12 3.303 -2.374 9.924 105 HG11 VAL 12 1HG1 VAL 12 4.192 -0.228 10.716 106 HG12 VAL 12 2HG1 VAL 12 3.074 -0.027 9.366 107 HG13 VAL 12 3HG1 VAL 12 4.813 0.099 9.099 108 HG21 VAL 12 3HG2 VAL 12 2.954 -1.797 7.580 109 HG22 VAL 12 1HG2 VAL 12 3.947 -3.246 7.726 110 HG23 VAL 12 2HG2 VAL 12 4.697 -1.699 7.334 111 H THR 13 H THR 13 4.218 -4.061 11.426 112 HA THR 13 HA THR 13 5.384 -6.480 10.252 113 HB THR 13 HB THR 13 3.823 -6.209 12.827 114 HG1 THR 13 HG1 THR 13 6.601 -6.581 12.842 115 HG21 THR 13 3HG2 THR 13 5.662 -8.387 11.823 116 HG22 THR 13 1HG2 THR 13 3.903 -8.485 11.906 117 HG23 THR 13 2HG2 THR 13 4.851 -8.357 13.388 118 H LEU 14 H LEU 14 4.192 -7.824 9.065 119 HA LEU 14 HA LEU 14 1.377 -7.271 8.633 120 HG LEU 14 HG LEU 14 2.796 -8.221 5.296 121 HB2 LEU 14 2HB LEU 14 3.226 -9.364 7.470 122 HB3 LEU 14 1HB LEU 14 1.538 -9.213 7.038 123 HD11 LEU 14 1HD1 LEU 14 1.740 -6.005 7.033 124 HD12 LEU 14 2HD1 LEU 14 0.794 -7.000 5.925 125 HD13 LEU 14 3HD1 LEU 14 2.038 -5.920 5.297 126 HD21 LEU 14 3HD2 LEU 14 4.895 -7.923 6.492 127 HD22 LEU 14 1HD2 LEU 14 4.205 -6.560 7.373 128 HD23 LEU 14 2HD2 LEU 14 4.428 -6.461 5.627 129 HA PRO 15 HA PRO 15 -0.143 -10.495 11.356 130 HB2 PRO 15 2HB PRO 15 -2.334 -11.325 9.952 131 HB3 PRO 15 1HB PRO 15 -2.308 -9.835 10.902 132 HG2 PRO 15 2HG PRO 15 -1.968 -10.214 7.955 133 HG3 PRO 15 1HG PRO 15 -2.869 -8.960 8.828 134 HD2 PRO 15 2HD PRO 15 -0.413 -8.522 7.774 135 HD3 PRO 15 1HD PRO 15 -0.979 -7.714 9.248 136 H ASP 16 H ASP 16 0.727 -10.864 8.097 137 HA ASP 16 HA ASP 16 0.657 -13.703 7.873 138 HB2 ASP 16 2HB ASP 16 2.402 -11.752 6.349 139 HB3 ASP 16 1HB ASP 16 1.927 -13.367 5.844 140 H GLY 17 H GLY 17 2.668 -11.516 9.534 141 HA2 GLY 17 2HA GLY 17 4.460 -12.101 10.947 142 HA3 GLY 17 1HA GLY 17 4.639 -13.610 10.062 143 H THR 18 H THR 18 4.252 -11.199 7.876 144 HA THR 18 HA THR 18 7.048 -11.252 7.126 145 HB THR 18 HB THR 18 4.873 -9.734 5.693 146 HG1 THR 18 HG1 THR 18 5.324 -12.556 5.735 147 HG21 THR 18 3HG2 THR 18 6.141 -10.420 3.697 148 HG22 THR 18 1HG2 THR 18 7.299 -11.262 4.729 149 HG23 THR 18 2HG2 THR 18 7.143 -9.507 4.826 150 H VAL 19 H VAL 19 8.086 -9.170 6.412 151 HA VAL 19 HA VAL 19 7.323 -6.921 8.154 152 HB VAL 19 HB VAL 19 10.059 -7.565 7.029 153 HG11 VAL 19 1HG1 VAL 19 10.844 -5.719 8.454 154 HG12 VAL 19 2HG1 VAL 19 9.172 -5.349 8.875 155 HG13 VAL 19 3HG1 VAL 19 9.726 -5.164 7.210 156 HG21 VAL 19 3HG2 VAL 19 10.683 -7.974 9.373 157 HG22 VAL 19 1HG2 VAL 19 9.445 -9.095 8.808 158 HG23 VAL 19 2HG2 VAL 19 8.998 -7.742 9.846 159 H LEU 20 H LEU 20 6.750 -5.076 7.204 160 HA LEU 20 HA LEU 20 7.340 -4.726 4.338 161 HG LEU 20 HG LEU 20 5.252 -2.229 4.303 162 HB2 LEU 20 2HB LEU 20 5.010 -5.223 4.541 163 HB3 LEU 20 1HB LEU 20 4.818 -4.103 5.873 164 HD11 LEU 20 1HD1 LEU 20 6.542 -3.413 2.615 165 HD12 LEU 20 2HD1 LEU 20 5.115 -2.670 1.893 166 HD13 LEU 20 3HD1 LEU 20 5.141 -4.404 2.214 167 HD21 LEU 20 3HD2 LEU 20 2.985 -2.910 4.880 168 HD22 LEU 20 1HD2 LEU 20 2.990 -4.072 3.555 169 HD23 LEU 20 2HD2 LEU 20 3.075 -2.343 3.213 170 H SER 21 H SER 21 8.912 -3.230 4.288 171 HA SER 21 HA SER 21 8.683 -0.927 6.081 172 HG SER 21 HG SER 21 10.900 -2.696 3.813 173 HB2 SER 21 2HB SER 21 11.011 -0.488 5.608 174 HB3 SER 21 1HB SER 21 10.835 -2.188 6.031 175 H ARG 22 H ARG 22 9.587 1.173 4.986 176 HA ARG 22 HA ARG 22 7.744 1.795 2.897 177 HE ARG 22 HE ARG 22 9.011 6.288 3.830 178 HB2 ARG 22 2HB ARG 22 9.989 3.387 4.137 179 HB3 ARG 22 1HB ARG 22 8.899 4.032 2.918 180 HG2 ARG 22 2HG ARG 22 6.998 3.652 4.392 181 HG3 ARG 22 1HG ARG 22 8.073 2.968 5.610 182 HD2 ARG 22 2HD ARG 22 7.484 5.291 6.114 183 HD3 ARG 22 1HD ARG 22 9.214 5.101 5.836 184 HH11 ARG 22 1HH1 ARG 22 5.893 5.905 5.390 185 HH12 ARG 22 2HH1 ARG 22 5.142 7.185 4.482 186 HH21 ARG 22 1HH2 ARG 22 8.030 7.990 2.660 187 HH22 ARG 22 2HH2 ARG 22 6.344 8.363 2.936 188 H ALA 23 H ALA 23 10.788 0.393 2.893 189 HA ALA 23 HA ALA 23 11.391 1.241 0.162 190 HB1 ALA 23 3HB ALA 23 13.487 0.016 0.446 191 HB2 ALA 23 1HB ALA 23 12.945 -0.555 2.023 192 HB3 ALA 23 2HB ALA 23 13.239 1.163 1.762 193 H ASP 24 H ASP 24 9.565 -1.075 1.700 194 HA ASP 24 HA ASP 24 10.060 -3.199 -0.236 195 HB2 ASP 24 2HB ASP 24 8.351 -3.012 2.231 196 HB3 ASP 24 1HB ASP 24 8.145 -4.327 1.082 197 H LEU 25 H LEU 25 7.987 -0.540 0.222 198 HA LEU 25 HA LEU 25 5.617 -1.288 -0.985 199 HG LEU 25 HG LEU 25 6.057 0.587 1.154 200 HB2 LEU 25 2HB LEU 25 7.121 1.315 -1.014 201 HB3 LEU 25 1HB LEU 25 5.550 1.144 -1.769 202 HD11 LEU 25 1HD1 LEU 25 5.007 3.080 -0.178 203 HD12 LEU 25 2HD1 LEU 25 6.533 2.919 0.691 204 HD13 LEU 25 3HD1 LEU 25 5.005 2.769 1.556 205 HD21 LEU 25 3HD2 LEU 25 3.620 0.760 1.315 206 HD22 LEU 25 1HD2 LEU 25 4.103 -0.533 0.218 207 HD23 LEU 25 2HD2 LEU 25 3.521 0.999 -0.429 208 HA PRO 26 HA PRO 26 6.575 -2.402 -5.141 209 HB2 PRO 26 2HB PRO 26 4.248 -1.433 -6.326 210 HB3 PRO 26 1HB PRO 26 4.409 -3.016 -5.564 211 HG2 PRO 26 2HG PRO 26 3.273 -0.489 -4.462 212 HG3 PRO 26 1HG PRO 26 2.723 -2.161 -4.248 213 HD2 PRO 26 2HD PRO 26 4.071 -0.875 -2.323 214 HD3 PRO 26 1HD PRO 26 4.320 -2.609 -2.626 215 HA PRO 27 HA PRO 27 8.553 1.232 -6.601 216 HB2 PRO 27 2HB PRO 27 8.924 0.465 -9.224 217 HB3 PRO 27 1HB PRO 27 9.962 -0.019 -7.879 218 HG2 PRO 27 2HG PRO 27 7.733 -1.515 -9.194 219 HG3 PRO 27 1HG PRO 27 9.301 -2.110 -8.615 220 HD2 PRO 27 2HD PRO 27 7.043 -2.503 -7.216 221 HD3 PRO 27 1HD PRO 27 8.598 -2.198 -6.411 222 H LEU 28 H LEU 28 8.154 3.102 -7.734 223 HA LEU 28 HA LEU 28 5.492 3.664 -8.524 224 HG LEU 28 HG LEU 28 7.872 5.001 -6.758 225 HB2 LEU 28 2HB LEU 28 7.991 5.232 -9.187 226 HB3 LEU 28 1HB LEU 28 6.344 5.832 -9.226 227 HD11 LEU 28 1HD1 LEU 28 8.625 7.116 -7.704 228 HD12 LEU 28 2HD1 LEU 28 7.755 7.376 -6.192 229 HD13 LEU 28 3HD1 LEU 28 6.962 7.705 -7.732 230 HD21 LEU 28 3HD2 LEU 28 5.943 5.854 -5.519 231 HD22 LEU 28 1HD2 LEU 28 5.503 4.484 -6.539 232 HD23 LEU 28 2HD2 LEU 28 5.088 6.125 -7.039 233 H ASP 29 H ASP 29 8.140 2.282 -10.117 234 HA ASP 29 HA ASP 29 7.541 2.808 -12.813 235 HB2 ASP 29 2HB ASP 29 9.672 1.884 -12.247 236 HB3 ASP 29 1HB ASP 29 8.931 0.517 -11.428 237 H THR 30 H THR 30 6.128 0.681 -10.477 238 HA THR 30 HA THR 30 4.957 -1.193 -12.227 239 HB THR 30 HB THR 30 4.185 -0.341 -9.435 240 HG1 THR 30 HG1 THR 30 6.135 -1.903 -10.431 241 HG21 THR 30 3HG2 THR 30 2.241 -1.293 -10.535 242 HG22 THR 30 1HG2 THR 30 2.876 -2.422 -9.339 243 HG23 THR 30 2HG2 THR 30 3.189 -2.685 -11.055 244 H ARG 31 H ARG 31 3.495 -0.858 -13.700 245 HA ARG 31 HA ARG 31 1.301 1.010 -13.097 246 HE ARG 31 HE ARG 31 -1.308 3.367 -15.462 247 HB2 ARG 31 2HB ARG 31 2.808 1.426 -15.154 248 HB3 ARG 31 1HB ARG 31 2.012 0.023 -15.854 249 HG2 ARG 31 2HG ARG 31 0.942 2.030 -16.614 250 HG3 ARG 31 1HG ARG 31 -0.156 1.132 -15.564 251 HD2 ARG 31 2HD ARG 31 0.430 2.603 -13.697 252 HD3 ARG 31 1HD ARG 31 1.533 3.490 -14.745 253 HH11 ARG 31 1HH1 ARG 31 1.463 5.194 -14.355 254 HH12 ARG 31 2HH1 ARG 31 0.711 6.744 -14.610 255 HH21 ARG 31 1HH2 ARG 31 -2.315 5.411 -15.795 256 HH22 ARG 31 2HH2 ARG 31 -1.440 6.868 -15.415 257 H ARG 32 H ARG 32 2.236 -2.150 -14.353 258 HA ARG 32 HA ARG 32 -0.421 -3.189 -14.503 259 HE ARG 32 HE ARG 32 0.480 -6.671 -16.069 260 HB2 ARG 32 2HB ARG 32 2.234 -4.619 -14.240 261 HB3 ARG 32 1HB ARG 32 0.696 -5.419 -14.534 262 HG2 ARG 32 2HG ARG 32 0.487 -4.166 -16.647 263 HG3 ARG 32 1HG ARG 32 2.081 -3.464 -16.356 264 HD2 ARG 32 2HD ARG 32 2.250 -5.364 -17.867 265 HD3 ARG 32 1HD ARG 32 3.057 -5.714 -16.339 266 HH11 ARG 32 1HH1 ARG 32 3.228 -7.289 -18.168 267 HH12 ARG 32 2HH1 ARG 32 2.795 -8.948 -18.444 268 HH21 ARG 32 1HH2 ARG 32 -0.082 -8.841 -16.432 269 HH22 ARG 32 2HH2 ARG 32 0.903 -9.834 -17.471 270 H TRP 33 H TRP 33 -1.265 -2.429 -12.522 271 HA TRP 33 HA TRP 33 -0.219 -3.314 -10.029 272 HD1 TRP 33 HD1 TRP 33 -1.738 0.366 -11.413 273 HE1 TRP 33 HE1 TRP 33 -0.214 2.017 -10.145 274 HE3 TRP 33 HE3 TRP 33 -0.513 -2.573 -7.405 275 HZ2 TRP 33 HZ2 TRP 33 1.289 2.058 -7.764 276 HZ3 TRP 33 HZ3 TRP 33 0.976 -1.647 -5.677 277 HH2 TRP 33 HH2 TRP 33 1.857 0.618 -5.858 278 HB2 TRP 33 2HB TRP 33 -2.763 -1.964 -10.862 279 HB3 TRP 33 1HB TRP 33 -2.550 -2.544 -9.212 280 H VAL 34 H VAL 34 -0.030 -5.520 -10.065 281 HA VAL 34 HA VAL 34 -2.360 -7.179 -10.419 282 HB VAL 34 HB VAL 34 -0.922 -9.057 -9.830 283 HG11 VAL 34 1HG1 VAL 34 0.440 -7.133 -11.713 284 HG12 VAL 34 2HG1 VAL 34 -0.874 -8.235 -12.126 285 HG13 VAL 34 3HG1 VAL 34 0.698 -8.877 -11.652 286 HG21 VAL 34 3HG2 VAL 34 1.186 -6.976 -9.262 287 HG22 VAL 34 1HG2 VAL 34 1.457 -8.718 -9.320 288 HG23 VAL 34 2HG2 VAL 34 0.410 -8.030 -8.079 289 H ALA 35 H ALA 35 -2.735 -8.871 -8.593 290 HA ALA 35 HA ALA 35 -4.062 -7.492 -6.579 291 HB1 ALA 35 3HB ALA 35 -4.515 -9.659 -5.594 292 HB2 ALA 35 1HB ALA 35 -3.234 -10.387 -6.564 293 HB3 ALA 35 2HB ALA 35 -4.671 -9.731 -7.348 294 H SER 36 H SER 36 -1.048 -9.396 -6.276 295 HA SER 36 HA SER 36 -0.822 -9.005 -3.494 296 HG SER 36 HG SER 36 0.595 -11.649 -5.412 297 HB2 SER 36 2HB SER 36 1.341 -9.681 -5.494 298 HB3 SER 36 1HB SER 36 1.462 -9.874 -3.745 299 H ARG 37 H ARG 37 0.348 -7.070 -6.195 300 HA ARG 37 HA ARG 37 2.085 -5.436 -4.624 301 HE ARG 37 HE ARG 37 4.292 -7.051 -8.787 302 HB2 ARG 37 2HB ARG 37 0.800 -4.912 -7.310 303 HB3 ARG 37 1HB ARG 37 2.026 -3.888 -6.572 304 HG2 ARG 37 2HG ARG 37 3.595 -5.767 -6.584 305 HG3 ARG 37 1HG ARG 37 2.368 -6.772 -7.354 306 HD2 ARG 37 2HD ARG 37 2.324 -5.172 -9.252 307 HD3 ARG 37 1HD ARG 37 3.653 -4.296 -8.488 308 HH11 ARG 37 1HH1 ARG 37 4.070 -4.052 -10.582 309 HH12 ARG 37 2HH1 ARG 37 5.193 -4.546 -11.809 310 HH21 ARG 37 1HH2 ARG 37 5.777 -7.698 -10.379 311 HH22 ARG 37 2HH2 ARG 37 6.163 -6.631 -11.699 312 H LYS 38 H LYS 38 -1.262 -5.152 -5.703 313 HA LYS 38 HA LYS 38 -1.824 -2.659 -4.517 314 HB2 LYS 38 2HB LYS 38 -3.659 -5.016 -5.003 315 HB3 LYS 38 1HB LYS 38 -4.204 -3.414 -4.526 316 HG2 LYS 38 2HG LYS 38 -3.176 -2.518 -6.611 317 HG3 LYS 38 1HG LYS 38 -2.841 -4.183 -7.095 318 HD2 LYS 38 2HD LYS 38 -5.219 -4.702 -7.029 319 HD3 LYS 38 1HD LYS 38 -5.579 -3.065 -6.476 320 HE2 LYS 38 2HE LYS 38 -4.605 -2.193 -8.582 321 HE3 LYS 38 1HE LYS 38 -4.388 -3.853 -9.133 322 HZ1 LYS 38 3HZ LYS 38 -6.406 -2.943 -10.048 323 HZ2 LYS 38 1HZ LYS 38 -6.978 -2.530 -8.507 324 HZ3 LYS 38 2HZ LYS 38 -6.809 -4.157 -8.936 325 H ALA 39 H ALA 39 -1.987 -5.963 -3.295 326 HA ALA 39 HA ALA 39 -3.136 -5.427 -0.796 327 HB1 ALA 39 3HB ALA 39 -2.953 -7.680 -1.769 328 HB2 ALA 39 1HB ALA 39 -2.323 -7.608 -0.124 329 HB3 ALA 39 2HB ALA 39 -1.213 -7.641 -1.491 330 H ALA 40 H ALA 40 0.241 -5.433 -1.841 331 HA ALA 40 HA ALA 40 1.418 -5.092 0.687 332 HB1 ALA 40 3HB ALA 40 2.388 -4.110 -1.997 333 HB2 ALA 40 1HB ALA 40 2.713 -5.689 -1.283 334 HB3 ALA 40 2HB ALA 40 3.364 -4.232 -0.533 335 H VAL 41 H VAL 41 0.217 -2.731 -1.663 336 HA VAL 41 HA VAL 41 1.065 -0.423 -0.281 337 HB VAL 41 HB VAL 41 -1.273 -0.706 -2.174 338 HG11 VAL 41 1HG1 VAL 41 -0.982 1.688 -2.570 339 HG12 VAL 41 2HG1 VAL 41 0.279 1.738 -1.340 340 HG13 VAL 41 3HG1 VAL 41 -1.380 1.353 -0.884 341 HG21 VAL 41 3HG2 VAL 41 0.275 0.064 -3.902 342 HG22 VAL 41 1HG2 VAL 41 0.804 -1.461 -3.193 343 HG23 VAL 41 2HG2 VAL 41 1.592 0.047 -2.729 344 H VAL 42 H VAL 42 -2.048 -2.154 -0.295 345 HA VAL 42 HA VAL 42 -3.306 -0.286 1.427 346 HB VAL 42 HB VAL 42 -4.610 -1.727 -0.065 347 HG11 VAL 42 1HG1 VAL 42 -3.348 -3.783 0.093 348 HG12 VAL 42 2HG1 VAL 42 -5.037 -4.066 0.511 349 HG13 VAL 42 3HG1 VAL 42 -3.819 -3.968 1.783 350 HG21 VAL 42 3HG2 VAL 42 -5.248 -2.079 2.854 351 HG22 VAL 42 1HG2 VAL 42 -6.381 -2.320 1.523 352 HG23 VAL 42 2HG2 VAL 42 -5.707 -0.719 1.828 353 H LYS 43 H LYS 43 -1.608 -3.351 2.022 354 HA LYS 43 HA LYS 43 -2.234 -3.516 4.771 355 HB2 LYS 43 2HB LYS 43 0.098 -4.604 3.190 356 HB3 LYS 43 1HB LYS 43 -0.101 -4.903 4.911 357 HG2 LYS 43 2HG LYS 43 -2.288 -5.955 4.444 358 HG3 LYS 43 1HG LYS 43 -1.995 -5.729 2.717 359 HD2 LYS 43 2HD LYS 43 -0.001 -7.132 2.859 360 HD3 LYS 43 1HD LYS 43 -0.252 -7.332 4.596 361 HE2 LYS 43 2HE LYS 43 -2.427 -8.403 4.118 362 HE3 LYS 43 1HE LYS 43 -2.094 -8.268 2.394 363 HZ1 LYS 43 3HZ LYS 43 -1.555 -10.462 3.137 364 HZ2 LYS 43 1HZ LYS 43 -0.561 -9.878 4.381 365 HZ3 LYS 43 2HZ LYS 43 -0.106 -9.668 2.760 366 H ALA 44 H ALA 44 0.155 -1.699 2.995 367 HA ALA 44 HA ALA 44 1.797 -0.921 5.143 368 HB1 ALA 44 3HB ALA 44 2.472 -0.636 2.827 369 HB2 ALA 44 1HB ALA 44 2.519 0.908 3.678 370 HB3 ALA 44 2HB ALA 44 1.187 0.544 2.579 371 H VAL 45 H VAL 45 -1.088 0.576 3.714 372 HA VAL 45 HA VAL 45 -1.069 2.830 5.472 373 HB VAL 45 HB VAL 45 -3.337 1.726 3.805 374 HG11 VAL 45 1HG1 VAL 45 -4.145 3.191 5.570 375 HG12 VAL 45 2HG1 VAL 45 -4.298 3.972 3.996 376 HG13 VAL 45 3HG1 VAL 45 -2.991 4.435 5.085 377 HG21 VAL 45 3HG2 VAL 45 -1.406 2.302 2.447 378 HG22 VAL 45 1HG2 VAL 45 -1.328 3.893 3.204 379 HG23 VAL 45 2HG2 VAL 45 -2.708 3.466 2.193 380 H ILE 46 H ILE 46 -2.699 -0.287 5.444 381 HA ILE 46 HA ILE 46 -4.504 0.150 7.539 382 HB ILE 46 HB ILE 46 -3.226 -2.363 6.483 383 HG12 ILE 46 2HG1 ILE 46 -6.033 -1.257 6.276 384 HG13 ILE 46 1HG1 ILE 46 -4.800 -1.125 5.029 385 HG21 ILE 46 1HG2 ILE 46 -3.766 -2.792 8.805 386 HG22 ILE 46 2HG2 ILE 46 -4.899 -3.637 7.750 387 HG23 ILE 46 3HG2 ILE 46 -5.393 -2.154 8.566 388 HD11 ILE 46 3HD1 ILE 46 -6.363 -2.882 4.494 389 HD12 ILE 46 1HD1 ILE 46 -6.045 -3.671 6.041 390 HD13 ILE 46 2HD1 ILE 46 -4.770 -3.568 4.828 391 H HIS 47 H HIS 47 -1.119 -0.900 7.600 392 HA HIS 47 HA HIS 47 -1.228 -1.290 10.477 393 HD1 HIS 47 HD1 HIS 47 -0.745 -3.606 11.163 394 HD2 HIS 47 HD2 HIS 47 0.707 -3.913 7.273 395 HE1 HIS 47 HE1 HIS 47 -1.341 -5.930 10.392 396 HE2 HIS 47 HE2 HIS 47 -0.246 -6.155 8.138 397 HB2 HIS 47 2HB HIS 47 1.037 -1.541 8.500 398 HB3 HIS 47 1HB HIS 47 1.231 -1.774 10.235 399 H GLY 48 H GLY 48 -0.532 1.259 8.317 400 HA2 GLY 48 2HA GLY 48 -0.333 3.496 9.049 401 HA3 GLY 48 1HA GLY 48 0.234 2.909 10.603 402 H LEU 49 H LEU 49 1.584 1.596 7.706 403 HA LEU 49 HA LEU 49 4.220 2.572 8.288 404 HG LEU 49 HG LEU 49 5.293 2.363 5.437 405 HB2 LEU 49 2HB LEU 49 3.846 0.397 7.205 406 HB3 LEU 49 1HB LEU 49 3.082 1.197 5.843 407 HD11 LEU 49 1HD1 LEU 49 7.279 1.291 6.382 408 HD12 LEU 49 2HD1 LEU 49 6.243 0.281 7.392 409 HD13 LEU 49 3HD1 LEU 49 6.269 2.028 7.626 410 HD21 LEU 49 3HD2 LEU 49 5.237 -0.645 5.231 411 HD22 LEU 49 1HD2 LEU 49 6.247 0.444 4.283 412 HD23 LEU 49 2HD2 LEU 49 4.494 0.475 4.091 413 H ILE 50 H ILE 50 1.873 3.067 5.712 414 HA ILE 50 HA ILE 50 2.894 5.807 5.379 415 HB ILE 50 HB ILE 50 2.245 5.744 3.023 416 HG12 ILE 50 2HG1 ILE 50 1.761 2.782 3.328 417 HG13 ILE 50 1HG1 ILE 50 0.459 3.964 3.410 418 HG21 ILE 50 1HG2 ILE 50 3.973 4.233 2.174 419 HG22 ILE 50 2HG2 ILE 50 4.067 3.459 3.757 420 HG23 ILE 50 3HG2 ILE 50 4.533 5.151 3.573 421 HD11 ILE 50 3HD1 ILE 50 0.660 2.949 1.202 422 HD12 ILE 50 1HD1 ILE 50 2.305 3.573 1.069 423 HD13 ILE 50 2HD1 ILE 50 0.939 4.690 1.159 424 H THR 51 H THR 51 1.147 7.294 4.592 425 HA THR 51 HA THR 51 -1.361 6.529 5.855 426 HB THR 51 HB THR 51 -0.450 8.713 6.469 427 HG1 THR 51 HG1 THR 51 -2.381 9.902 6.094 428 HG21 THR 51 3HG2 THR 51 0.650 9.244 4.323 429 HG22 THR 51 1HG2 THR 51 -0.362 10.560 4.916 430 HG23 THR 51 2HG2 THR 51 -0.936 9.528 3.609 431 H GLU 52 H GLU 52 -3.395 7.113 4.719 432 HA GLU 52 HA GLU 52 -3.587 5.459 2.492 433 HB2 GLU 52 2HB GLU 52 -5.399 6.062 4.143 434 HB3 GLU 52 1HB GLU 52 -5.592 7.574 3.267 435 HG2 GLU 52 2HG GLU 52 -6.208 6.367 1.263 436 HG3 GLU 52 1HG GLU 52 -5.933 4.833 2.079 437 H ARG 53 H ARG 53 -3.650 9.018 2.675 438 HA ARG 53 HA ARG 53 -3.861 9.342 -0.142 439 HE ARG 53 HE ARG 53 -3.423 12.880 -0.805 440 HB2 ARG 53 2HB ARG 53 -3.270 11.181 2.122 441 HB3 ARG 53 1HB ARG 53 -2.918 11.710 0.479 442 HG2 ARG 53 2HG ARG 53 -5.404 10.789 0.121 443 HG3 ARG 53 1HG ARG 53 -5.506 11.270 1.818 444 HD2 ARG 53 2HD ARG 53 -6.156 13.093 0.317 445 HD3 ARG 53 1HD ARG 53 -4.721 13.492 1.256 446 HH11 ARG 53 1HH1 ARG 53 -6.784 13.832 -1.059 447 HH12 ARG 53 2HH1 ARG 53 -6.593 14.557 -2.630 448 HH21 ARG 53 1HH2 ARG 53 -3.175 13.809 -2.889 449 HH22 ARG 53 2HH2 ARG 53 -4.554 14.543 -3.658 450 H GLU 54 H GLU 54 -1.162 8.843 1.988 451 HA GLU 54 HA GLU 54 0.859 9.842 0.295 452 HB2 GLU 54 2HB GLU 54 1.368 9.341 2.606 453 HB3 GLU 54 1HB GLU 54 0.939 7.652 2.380 454 HG2 GLU 54 2HG GLU 54 2.858 7.212 1.131 455 HG3 GLU 54 1HG GLU 54 3.164 8.920 0.831 456 H ALA 55 H ALA 55 -0.793 6.749 0.518 457 HA ALA 55 HA ALA 55 0.672 5.417 -1.504 458 HB1 ALA 55 3HB ALA 55 -2.206 5.001 -0.702 459 HB2 ALA 55 1HB ALA 55 -0.811 4.273 0.091 460 HB3 ALA 55 2HB ALA 55 -1.184 3.861 -1.582 461 H LEU 56 H LEU 56 -2.315 7.315 -1.575 462 HA LEU 56 HA LEU 56 -2.918 6.992 -4.301 463 HG LEU 56 HG LEU 56 -4.360 7.292 -1.489 464 HB2 LEU 56 2HB LEU 56 -3.547 9.377 -2.559 465 HB3 LEU 56 1HB LEU 56 -4.374 8.914 -4.033 466 HD11 LEU 56 1HD1 LEU 56 -5.574 9.388 -1.219 467 HD12 LEU 56 2HD1 LEU 56 -6.675 8.012 -1.253 468 HD13 LEU 56 3HD1 LEU 56 -6.508 9.043 -2.676 469 HD21 LEU 56 3HD2 LEU 56 -4.609 5.949 -3.516 470 HD22 LEU 56 1HD2 LEU 56 -5.937 6.986 -4.042 471 HD23 LEU 56 2HD2 LEU 56 -6.108 5.999 -2.589 472 H ASP 57 H ASP 57 -1.258 9.643 -2.627 473 HA ASP 57 HA ASP 57 -0.938 11.248 -4.901 474 HB2 ASP 57 2HB ASP 57 0.384 11.261 -2.198 475 HB3 ASP 57 1HB ASP 57 0.841 12.410 -3.451 476 H ARG 58 H ARG 58 1.100 8.681 -3.609 477 HA ARG 58 HA ARG 58 3.296 9.496 -5.322 478 HE ARG 58 HE ARG 58 3.759 7.294 -1.043 479 HB2 ARG 58 2HB ARG 58 4.562 7.687 -4.378 480 HB3 ARG 58 1HB ARG 58 3.742 8.544 -3.083 481 HG2 ARG 58 2HG ARG 58 2.105 6.797 -2.891 482 HG3 ARG 58 1HG ARG 58 2.773 5.967 -4.299 483 HD2 ARG 58 2HD ARG 58 3.502 4.946 -2.183 484 HD3 ARG 58 1HD ARG 58 4.851 5.573 -3.122 485 HH11 ARG 58 1HH1 ARG 58 6.272 5.048 -2.024 486 HH12 ARG 58 2HH1 ARG 58 7.411 5.619 -0.838 487 HH21 ARG 58 1HH2 ARG 58 5.279 8.033 0.530 488 HH22 ARG 58 2HH2 ARG 58 6.856 7.300 0.593 489 H TYR 59 H TYR 59 0.606 7.335 -5.542 490 HA TYR 59 HA TYR 59 1.858 6.049 -7.880 491 HD1 TYR 59 HD2 TYR 59 2.790 3.863 -7.632 492 HD2 TYR 59 HD1 TYR 59 0.330 4.157 -4.176 493 HE1 TYR 59 HE2 TYR 59 4.434 2.553 -6.354 494 HE2 TYR 59 HE1 TYR 59 1.964 2.843 -2.892 495 HH TYR 59 HH TYR 59 4.977 1.690 -4.390 496 HB2 TYR 59 2HB TYR 59 -0.409 5.099 -6.128 497 HB3 TYR 59 1HB TYR 59 0.091 4.294 -7.607 498 H SER 60 H SER 60 -0.050 8.563 -7.257 499 HA SER 60 HA SER 60 -1.526 9.810 -8.447 500 HG SER 60 HG SER 60 0.321 10.312 -9.856 501 HB2 SER 60 2HB SER 60 -0.903 7.893 -10.709 502 HB3 SER 60 1HB SER 60 -1.675 9.470 -10.872 503 H LEU 61 H LEU 61 -2.348 7.424 -6.947 504 HA LEU 61 HA LEU 61 -4.543 6.243 -8.405 505 HG LEU 61 HG LEU 61 -2.066 4.990 -7.039 506 HB2 LEU 61 2HB LEU 61 -3.744 5.997 -5.504 507 HB3 LEU 61 1HB LEU 61 -4.988 5.048 -6.288 508 HD11 LEU 61 1HD1 LEU 61 -2.401 4.092 -4.812 509 HD12 LEU 61 2HD1 LEU 61 -2.061 2.790 -5.951 510 HD13 LEU 61 3HD1 LEU 61 -3.713 3.071 -5.399 511 HD21 LEU 61 3HD2 LEU 61 -2.688 3.004 -8.314 512 HD22 LEU 61 1HD2 LEU 61 -3.561 4.425 -8.884 513 HD23 LEU 61 2HD2 LEU 61 -4.378 3.237 -7.867 514 H SER 62 H SER 62 -6.729 6.380 -7.778 515 HA SER 62 HA SER 62 -7.461 8.952 -6.630 516 HG SER 62 HG SER 62 -7.931 7.459 -9.484 517 HB2 SER 62 2HB SER 62 -9.257 6.837 -7.840 518 HB3 SER 62 1HB SER 62 -9.667 8.521 -7.513 519 H GLU 63 H GLU 63 -9.035 9.084 -4.948 520 HA GLU 63 HA GLU 63 -8.477 7.519 -2.735 521 HB2 GLU 63 2HB GLU 63 -9.487 9.842 -2.871 522 HB3 GLU 63 1HB GLU 63 -11.023 9.054 -3.199 523 HG2 GLU 63 2HG GLU 63 -10.834 7.859 -1.067 524 HG3 GLU 63 1HG GLU 63 -9.344 8.743 -0.740 525 H GLU 64 H GLU 64 -11.130 7.354 -5.055 526 HA GLU 64 HA GLU 64 -12.594 5.314 -3.729 527 HB2 GLU 64 2HB GLU 64 -13.783 5.107 -5.913 528 HB3 GLU 64 1HB GLU 64 -13.709 6.753 -5.298 529 HG2 GLU 64 2HG GLU 64 -11.674 7.039 -6.799 530 HG3 GLU 64 1HG GLU 64 -12.179 5.532 -7.563 531 H GLU 65 H GLU 65 -9.975 5.294 -6.031 532 HA GLU 65 HA GLU 65 -10.038 2.597 -6.810 533 HB2 GLU 65 2HB GLU 65 -8.629 4.196 -7.956 534 HB3 GLU 65 1HB GLU 65 -7.739 4.536 -6.482 535 HG2 GLU 65 2HG GLU 65 -6.334 3.192 -7.782 536 HG3 GLU 65 1HG GLU 65 -6.978 2.130 -6.534 537 H PHE 66 H PHE 66 -8.074 4.169 -4.294 538 HA PHE 66 HA PHE 66 -7.071 1.778 -3.202 539 HD1 PHE 66 HD1 PHE 66 -4.347 2.479 -2.208 540 HD2 PHE 66 HD2 PHE 66 -7.541 3.501 0.413 541 HE1 PHE 66 HE1 PHE 66 -3.098 1.526 -0.315 542 HE2 PHE 66 HE2 PHE 66 -6.294 2.552 2.303 543 HZ PHE 66 HZ PHE 66 -4.073 1.569 1.940 544 HB2 PHE 66 2HB PHE 66 -6.079 4.045 -2.878 545 HB3 PHE 66 1HB PHE 66 -7.416 4.433 -1.800 546 H ALA 67 H ALA 67 -9.963 3.650 -2.553 547 HA ALA 67 HA ALA 67 -10.823 2.443 -0.200 548 HB1 ALA 67 3HB ALA 67 -13.072 3.106 -0.837 549 HB2 ALA 67 1HB ALA 67 -12.552 3.342 -2.505 550 HB3 ALA 67 2HB ALA 67 -11.925 4.388 -1.230 551 H LEU 68 H LEU 68 -11.277 1.438 -3.573 552 HA LEU 68 HA LEU 68 -12.753 -0.903 -2.986 553 HG LEU 68 HG LEU 68 -12.826 1.353 -5.186 554 HB2 LEU 68 2HB LEU 68 -11.013 -0.285 -5.378 555 HB3 LEU 68 1HB LEU 68 -12.179 -1.593 -5.280 556 HD11 LEU 68 1HD1 LEU 68 -13.329 -0.711 -7.322 557 HD12 LEU 68 2HD1 LEU 68 -12.143 0.592 -7.400 558 HD13 LEU 68 3HD1 LEU 68 -13.866 0.968 -7.352 559 HD21 LEU 68 3HD2 LEU 68 -15.152 0.656 -5.262 560 HD22 LEU 68 1HD2 LEU 68 -14.357 0.020 -3.824 561 HD23 LEU 68 2HD2 LEU 68 -14.660 -1.037 -5.203 562 H TRP 69 H TRP 69 -9.299 -0.261 -3.419 563 HA TRP 69 HA TRP 69 -8.298 -2.846 -3.345 564 HD1 TRP 69 HD1 TRP 69 -8.415 -1.012 -5.245 565 HE1 TRP 69 HE1 TRP 69 -6.937 -0.319 -7.226 566 HE3 TRP 69 HE3 TRP 69 -3.935 -0.671 -2.815 567 HZ2 TRP 69 HZ2 TRP 69 -4.215 0.274 -7.703 568 HZ3 TRP 69 HZ3 TRP 69 -1.939 -0.037 -4.106 569 HH2 TRP 69 HH2 TRP 69 -2.078 0.423 -6.501 570 HB2 TRP 69 2HB TRP 69 -7.125 -0.321 -2.166 571 HB3 TRP 69 1HB TRP 69 -6.247 -1.843 -2.267 572 H ARG 70 H ARG 70 -8.931 -0.715 -0.549 573 HA ARG 70 HA ARG 70 -8.261 -2.813 1.285 574 HE ARG 70 HE ARG 70 -9.769 0.519 4.509 575 HB2 ARG 70 2HB ARG 70 -8.887 -1.245 3.043 576 HB3 ARG 70 1HB ARG 70 -7.802 -0.508 1.878 577 HG2 ARG 70 2HG ARG 70 -9.810 0.543 0.811 578 HG3 ARG 70 1HG ARG 70 -10.758 -0.052 2.178 579 HD2 ARG 70 2HD ARG 70 -8.429 1.858 2.260 580 HD3 ARG 70 1HD ARG 70 -10.114 2.211 2.640 581 HH11 ARG 70 1HH1 ARG 70 -7.290 2.668 3.305 582 HH12 ARG 70 2HH1 ARG 70 -6.345 2.604 4.761 583 HH21 ARG 70 1HH2 ARG 70 -8.529 0.463 6.460 584 HH22 ARG 70 2HH2 ARG 70 -7.045 1.369 6.541 585 H SER 71 H SER 71 -11.177 -1.775 -0.265 586 HA SER 71 HA SER 71 -12.917 -3.180 1.543 587 HG SER 71 HG SER 71 -13.117 -0.457 -0.004 588 HB2 SER 71 2HB SER 71 -13.391 -2.215 -1.288 589 HB3 SER 71 1HB SER 71 -14.638 -2.831 -0.202 590 H ALA 72 H ALA 72 -10.839 -4.021 -1.015 591 HA ALA 72 HA ALA 72 -12.057 -6.638 -1.384 592 HB1 ALA 72 3HB ALA 72 -11.092 -5.477 -3.318 593 HB2 ALA 72 1HB ALA 72 -10.290 -7.017 -3.013 594 HB3 ALA 72 2HB ALA 72 -9.510 -5.507 -2.542 595 H VAL 73 H VAL 73 -8.793 -5.468 -0.499 596 HA VAL 73 HA VAL 73 -7.919 -8.024 0.343 597 HB VAL 73 HB VAL 73 -6.713 -5.328 0.991 598 HG11 VAL 73 1HG1 VAL 73 -5.505 -8.091 1.071 599 HG12 VAL 73 2HG1 VAL 73 -5.890 -7.082 2.465 600 HG13 VAL 73 3HG1 VAL 73 -4.633 -6.580 1.334 601 HG21 VAL 73 3HG2 VAL 73 -6.910 -5.651 -1.403 602 HG22 VAL 73 1HG2 VAL 73 -6.163 -7.244 -1.275 603 HG23 VAL 73 2HG2 VAL 73 -5.223 -5.795 -0.912 604 H ALA 74 H ALA 74 -8.885 -5.142 2.222 605 HA ALA 74 HA ALA 74 -8.414 -6.490 4.724 606 HB1 ALA 74 3HB ALA 74 -9.704 -3.816 4.189 607 HB2 ALA 74 1HB ALA 74 -7.997 -4.092 4.529 608 HB3 ALA 74 2HB ALA 74 -9.208 -4.429 5.767 609 H ALA 75 H ALA 75 -10.680 -7.028 2.564 610 HA ALA 75 HA ALA 75 -12.591 -7.818 4.648 611 HB1 ALA 75 3HB ALA 75 -13.294 -6.760 1.910 612 HB2 ALA 75 1HB ALA 75 -13.574 -5.945 3.448 613 HB3 ALA 75 2HB ALA 75 -14.443 -7.432 3.067 614 H HIS 76 H HIS 76 -10.313 -8.961 2.859 615 HA HIS 76 HA HIS 76 -11.818 -11.164 1.636 616 HD1 HIS 76 HD1 HIS 76 -7.502 -12.198 0.514 617 HD2 HIS 76 HD2 HIS 76 -11.477 -12.778 -0.557 618 HE1 HIS 76 HE1 HIS 76 -7.565 -14.396 -0.708 619 HE2 HIS 76 HE2 HIS 76 -10.016 -14.857 -1.038 620 HB2 HIS 76 2HB HIS 76 -10.247 -10.039 0.140 621 HB3 HIS 76 1HB HIS 76 -8.927 -10.339 1.268 622 H GLY 77 H GLY 77 -12.117 -12.819 2.898 623 HA2 GLY 77 2HA GLY 77 -9.916 -14.256 4.005 624 HA3 GLY 77 1HA GLY 77 -10.854 -13.455 5.259 625 H GLU 78 H GLU 78 -10.912 -15.849 2.712 626 HA GLU 78 HA GLU 78 -13.491 -16.840 3.706 627 HB2 GLU 78 2HB GLU 78 -13.615 -18.168 1.694 628 HB3 GLU 78 1HB GLU 78 -13.215 -16.520 1.245 629 HG2 GLU 78 2HG GLU 78 -11.132 -18.667 1.541 630 HG3 GLU 78 1HG GLU 78 -11.990 -18.375 0.029 631 H LYS 79 H LYS 79 -10.153 -17.385 3.867 632 HA LYS 79 HA LYS 79 -10.241 -20.224 4.227 633 HB2 LYS 79 2HB LYS 79 -8.034 -18.225 4.728 634 HB3 LYS 79 1HB LYS 79 -7.844 -19.968 4.837 635 HG2 LYS 79 2HG LYS 79 -8.399 -20.194 2.477 636 HG3 LYS 79 1HG LYS 79 -8.633 -18.448 2.360 637 HD2 LYS 79 2HD LYS 79 -6.283 -18.108 2.984 638 HD3 LYS 79 1HD LYS 79 -6.059 -19.857 3.064 639 HE2 LYS 79 2HE LYS 79 -5.255 -18.866 0.940 640 HE3 LYS 79 1HE LYS 79 -6.516 -20.074 0.710 641 HZ1 LYS 79 3HZ LYS 79 -8.100 -18.430 0.261 642 HZ2 LYS 79 1HZ LYS 79 -6.733 -17.962 -0.619 643 HZ3 LYS 79 2HZ LYS 79 -7.111 -17.176 0.833 644 H ALA 80 H ALA 80 -9.390 -17.543 6.450 645 HA ALA 80 HA ALA 80 -10.718 -18.910 8.626 646 HB1 ALA 80 3HB ALA 80 -7.738 -18.465 8.749 647 HB2 ALA 80 1HB ALA 80 -8.537 -20.028 8.584 648 HB3 ALA 80 2HB ALA 80 -8.757 -19.076 10.051 649 H LEU 81 H LEU 81 -11.468 -17.516 10.089 650 HA LEU 81 HA LEU 81 -10.444 -14.753 10.031 651 HG LEU 81 HG LEU 81 -12.269 -13.763 8.634 652 HB2 LEU 81 2HB LEU 81 -13.205 -15.798 10.659 653 HB3 LEU 81 1HB LEU 81 -12.693 -14.182 11.092 654 HD11 LEU 81 1HD1 LEU 81 -12.142 -16.092 7.896 655 HD12 LEU 81 2HD1 LEU 81 -13.419 -15.222 7.044 656 HD13 LEU 81 3HD1 LEU 81 -13.828 -16.333 8.351 657 HD21 LEU 81 3HD2 LEU 81 -15.069 -14.426 9.534 658 HD22 LEU 81 1HD2 LEU 81 -14.655 -13.424 8.143 659 HD23 LEU 81 2HD2 LEU 81 -14.226 -12.896 9.769 660 H LYS 82 H LYS 82 -8.815 -15.236 11.531 661 HA LYS 82 HA LYS 82 -9.271 -16.424 14.050 662 HB2 LYS 82 2HB LYS 82 -7.035 -16.070 12.882 663 HB3 LYS 82 1HB LYS 82 -7.130 -14.390 13.391 664 HG2 LYS 82 2HG LYS 82 -5.729 -15.594 14.915 665 HG3 LYS 82 1HG LYS 82 -7.224 -15.150 15.743 666 HD2 LYS 82 2HD LYS 82 -8.101 -17.401 15.385 667 HD3 LYS 82 1HD LYS 82 -6.624 -17.849 14.530 668 HE2 LYS 82 2HE LYS 82 -5.329 -17.447 16.566 669 HE3 LYS 82 1HE LYS 82 -6.808 -16.997 17.417 670 HZ1 LYS 82 3HZ LYS 82 -6.163 -19.293 17.866 671 HZ2 LYS 82 1HZ LYS 82 -6.261 -19.660 16.211 672 HZ3 LYS 82 2HZ LYS 82 -7.658 -19.222 17.071 673 H VAL 83 H VAL 83 -9.434 -15.384 16.134 674 HA VAL 83 HA VAL 83 -11.194 -13.226 16.299 675 HB VAL 83 HB VAL 83 -10.831 -14.835 18.127 676 HG11 VAL 83 1HG1 VAL 83 -8.428 -15.065 18.044 677 HG12 VAL 83 2HG1 VAL 83 -8.923 -14.555 19.657 678 HG13 VAL 83 3HG1 VAL 83 -8.222 -13.385 18.540 679 HG21 VAL 83 3HG2 VAL 83 -10.962 -13.249 19.993 680 HG22 VAL 83 1HG2 VAL 83 -11.939 -12.729 18.621 681 HG23 VAL 83 2HG2 VAL 83 -10.382 -11.965 18.934 682 H THR 84 H THR 84 -7.801 -13.275 15.856 683 HA THR 84 HA THR 84 -7.356 -10.519 16.598 684 HB THR 84 HB THR 84 -5.536 -12.407 15.096 685 HG1 THR 84 HG1 THR 84 -4.695 -12.856 17.245 686 HG21 THR 84 3HG2 THR 84 -3.738 -11.047 16.052 687 HG22 THR 84 1HG2 THR 84 -4.930 -10.016 16.841 688 HG23 THR 84 2HG2 THR 84 -4.828 -10.057 15.081 689 H MET 85 H MET 85 -8.741 -12.028 13.957 690 HA MET 85 HA MET 85 -7.445 -10.395 11.917 691 HB2 MET 85 2HB MET 85 -7.961 -12.911 11.684 692 HB3 MET 85 1HB MET 85 -9.624 -12.405 11.422 693 HG2 MET 85 2HG MET 85 -8.484 -12.765 9.316 694 HG3 MET 85 1HG MET 85 -8.940 -11.073 9.508 695 HE1 MET 85 3HE MET 85 -4.641 -12.658 10.074 696 HE2 MET 85 1HE MET 85 -5.966 -13.657 9.476 697 HE3 MET 85 2HE MET 85 -5.988 -13.069 11.137 698 H ILE 86 H ILE 86 -10.457 -10.568 13.656 699 HA ILE 86 HA ILE 86 -12.158 -9.298 11.830 700 HB ILE 86 HB ILE 86 -12.261 -9.223 14.851 701 HG12 ILE 86 2HG1 ILE 86 -14.311 -10.778 14.189 702 HG13 ILE 86 1HG1 ILE 86 -13.325 -11.067 12.761 703 HG21 ILE 86 1HG2 ILE 86 -14.598 -8.538 14.603 704 HG22 ILE 86 2HG2 ILE 86 -14.378 -8.429 12.858 705 HG23 ILE 86 3HG2 ILE 86 -13.495 -7.339 13.926 706 HD11 ILE 86 3HD1 ILE 86 -11.530 -11.913 14.108 707 HD12 ILE 86 1HD1 ILE 86 -13.023 -12.746 14.534 708 HD13 ILE 86 2HD1 ILE 86 -12.390 -11.482 15.587 709 H GLN 87 H GLN 87 -9.942 -7.952 14.219 710 HA GLN 87 HA GLN 87 -10.491 -5.269 14.119 711 HB2 GLN 87 2HB GLN 87 -8.788 -6.027 15.574 712 HB3 GLN 87 1HB GLN 87 -7.880 -6.760 14.262 713 HG2 GLN 87 2HG GLN 87 -7.372 -4.515 13.390 714 HG3 GLN 87 1HG GLN 87 -8.226 -3.813 14.763 715 HE21 GLN 87 1HE2 GLN 87 -7.264 -3.792 16.766 716 HE22 GLN 87 2HE2 GLN 87 -5.608 -4.250 17.021 717 H LYS 88 H LYS 88 -8.660 -7.165 11.754 718 HA LYS 88 HA LYS 88 -7.814 -4.935 10.206 719 HB2 LYS 88 2HB LYS 88 -7.903 -7.899 9.628 720 HB3 LYS 88 1HB LYS 88 -7.309 -6.727 8.462 721 HG2 LYS 88 2HG LYS 88 -5.453 -7.725 9.616 722 HG3 LYS 88 1HG LYS 88 -5.583 -6.029 10.077 723 HD2 LYS 88 2HD LYS 88 -6.664 -6.664 12.165 724 HD3 LYS 88 1HD LYS 88 -6.596 -8.364 11.698 725 HE2 LYS 88 2HE LYS 88 -4.190 -8.339 11.760 726 HE3 LYS 88 1HE LYS 88 -4.178 -6.597 12.049 727 HZ1 LYS 88 3HZ LYS 88 -3.830 -7.979 14.071 728 HZ2 LYS 88 1HZ LYS 88 -5.414 -8.562 13.896 729 HZ3 LYS 88 2HZ LYS 88 -5.141 -6.913 14.181 730 H TYR 89 H TYR 89 -10.621 -6.984 10.209 731 HA TYR 89 HA TYR 89 -11.565 -6.107 7.631 732 HD1 TYR 89 HD2 TYR 89 -11.376 -7.981 6.497 733 HD2 TYR 89 HD1 TYR 89 -12.565 -9.842 10.127 734 HE1 TYR 89 HE2 TYR 89 -10.309 -10.066 5.765 735 HE2 TYR 89 HE1 TYR 89 -11.496 -11.940 9.406 736 HH TYR 89 HH TYR 89 -9.399 -12.095 6.717 737 HB2 TYR 89 2HB TYR 89 -13.004 -7.594 9.833 738 HB3 TYR 89 1HB TYR 89 -13.612 -7.360 8.202 739 H ARG 90 H ARG 90 -11.661 -4.910 10.826 740 HA ARG 90 HA ARG 90 -14.134 -3.434 10.422 741 HE ARG 90 HE ARG 90 -16.240 -5.735 13.876 742 HB2 ARG 90 2HB ARG 90 -12.259 -3.608 12.777 743 HB3 ARG 90 1HB ARG 90 -13.681 -2.577 12.744 744 HG2 ARG 90 2HG ARG 90 -13.641 -5.578 12.538 745 HG3 ARG 90 1HG ARG 90 -14.161 -4.619 13.925 746 HD2 ARG 90 2HD ARG 90 -15.893 -3.587 12.405 747 HD3 ARG 90 1HD ARG 90 -15.463 -4.816 11.215 748 HH11 ARG 90 1HH1 ARG 90 -17.076 -5.313 10.491 749 HH12 ARG 90 2HH1 ARG 90 -18.499 -6.306 10.591 750 HH21 ARG 90 1HH2 ARG 90 -18.095 -7.058 13.997 751 HH22 ARG 90 2HH2 ARG 90 -19.060 -7.329 12.575 752 H GLN 91 H GLN 91 -10.692 -2.869 10.415 753 HA GLN 91 HA GLN 91 -11.033 0.013 10.427 754 HB2 GLN 91 2HB GLN 91 -8.544 0.029 10.144 755 HB3 GLN 91 1HB GLN 91 -9.119 -0.791 11.589 756 HG2 GLN 91 2HG GLN 91 -8.792 -2.945 10.525 757 HG3 GLN 91 1HG GLN 91 -8.277 -2.149 9.040 758 HE21 GLN 91 1HE2 GLN 91 -6.752 -0.091 10.360 759 HE22 GLN 91 2HE2 GLN 91 -5.323 -0.854 10.963 760 H LEU 92 H LEU 92 -11.949 -1.868 8.145 761 HA LEU 92 HA LEU 92 -10.379 -1.020 5.906 762 HG LEU 92 HG LEU 92 -13.920 -1.206 4.979 763 HB2 LEU 92 2HB LEU 92 -11.748 -2.325 4.594 764 HB3 LEU 92 1HB LEU 92 -11.894 -3.118 6.148 765 HD11 LEU 92 1HD1 LEU 92 -13.974 -4.206 5.243 766 HD12 LEU 92 2HD1 LEU 92 -13.824 -3.293 3.740 767 HD13 LEU 92 3HD1 LEU 92 -15.308 -3.195 4.688 768 HD21 LEU 92 3HD2 LEU 92 -15.369 -1.940 6.790 769 HD22 LEU 92 1HD2 LEU 92 -13.909 -1.180 7.423 770 HD23 LEU 92 2HD2 LEU 92 -14.068 -2.937 7.442 771 H HIS 93 H HIS 93 -12.668 0.552 7.783 772 HA HIS 93 HA HIS 93 -14.449 1.914 7.400 773 HD1 HIS 93 HD1 HIS 93 -10.431 3.725 7.809 774 HD2 HIS 93 HD2 HIS 93 -12.118 3.836 4.008 775 HE1 HIS 93 HE1 HIS 93 -8.547 4.298 6.249 776 HE2 HIS 93 HE2 HIS 93 -9.613 4.521 3.974 777 HB2 HIS 93 2HB HIS 93 -13.721 4.155 6.500 778 HB3 HIS 93 1HB HIS 93 -12.867 3.541 7.900 779 H HIS 94 H HIS 94 -15.859 0.890 6.215 780 HA HIS 94 HA HIS 94 -16.384 1.835 3.555 781 HD1 HIS 94 HD1 HIS 94 -17.663 -2.239 3.345 782 HD2 HIS 94 HD2 HIS 94 -16.179 0.345 0.436 783 HE1 HIS 94 HE1 HIS 94 -18.850 -2.853 1.215 784 HE2 HIS 94 HE2 HIS 94 -17.793 -1.412 -0.562 785 HB2 HIS 94 2HB HIS 94 -14.815 0.161 2.878 786 HB3 HIS 94 1HB HIS 94 -15.467 -1.007 4.016 787 H HIS 95 H HIS 95 -17.076 -0.144 6.308 788 HA HIS 95 HA HIS 95 -18.939 -1.071 7.190 789 HD1 HIS 95 HD1 HIS 95 -22.714 -0.613 5.533 790 HD2 HIS 95 HD2 HIS 95 -20.960 0.328 9.182 791 HE1 HIS 95 HE1 HIS 95 -24.462 -1.106 7.271 792 HE2 HIS 95 HE2 HIS 95 -23.449 -0.333 9.446 793 HB2 HIS 95 2HB HIS 95 -19.808 1.297 6.763 794 HB3 HIS 95 1HB HIS 95 -20.543 0.662 5.298 Start of MODEL 8 1 HA MET 1 HA MET 1 14.581 9.354 14.276 2 H1 MET 1 1H MET 1 16.818 8.640 14.858 3 H2 MET 1 2H MET 1 17.466 9.830 13.837 4 H3 MET 1 3H MET 1 16.537 8.572 13.185 5 HB2 MET 1 2HB MET 1 15.790 10.279 16.260 6 HB3 MET 1 1HB MET 1 16.321 11.626 15.265 7 HG2 MET 1 2HG MET 1 14.020 12.323 14.941 8 HG3 MET 1 1HG MET 1 13.457 10.942 15.881 9 HE1 MET 1 3HE MET 1 12.717 13.980 18.250 10 HE2 MET 1 1HE MET 1 12.036 12.564 17.451 11 HE3 MET 1 2HE MET 1 12.583 13.941 16.492 12 H TYR 2 H TYR 2 13.241 10.493 12.940 13 HA TYR 2 HA TYR 2 14.544 11.701 10.634 14 HD1 TYR 2 HD2 TYR 2 14.154 10.618 8.352 15 HD2 TYR 2 HD1 TYR 2 11.840 8.488 11.213 16 HE1 TYR 2 HE2 TYR 2 14.854 8.498 7.331 17 HE2 TYR 2 HE1 TYR 2 12.542 6.358 10.201 18 HH TYR 2 HH TYR 2 15.114 6.077 8.151 19 HB2 TYR 2 2HB TYR 2 11.707 10.818 11.145 20 HB3 TYR 2 1HB TYR 2 12.196 11.668 9.682 21 H LEU 3 H LEU 3 15.137 13.718 11.098 22 HA LEU 3 HA LEU 3 14.982 15.961 11.259 23 HG LEU 3 HG LEU 3 13.855 14.602 8.783 24 HB2 LEU 3 2HB LEU 3 12.134 15.445 10.403 25 HB3 LEU 3 1HB LEU 3 12.937 17.003 10.365 26 HD11 LEU 3 1HD1 LEU 3 11.640 15.325 8.048 27 HD12 LEU 3 2HD1 LEU 3 12.873 15.707 6.845 28 HD13 LEU 3 3HD1 LEU 3 12.231 16.979 7.884 29 HD21 LEU 3 3HD2 LEU 3 15.179 16.253 7.561 30 HD22 LEU 3 1HD2 LEU 3 15.607 16.224 9.272 31 HD23 LEU 3 2HD2 LEU 3 14.594 17.522 8.638 32 H LYS 4 H LYS 4 11.607 15.712 12.095 33 HA LYS 4 HA LYS 4 12.199 16.335 14.893 34 HB2 LYS 4 2HB LYS 4 11.904 18.479 13.673 35 HB3 LYS 4 1HB LYS 4 10.312 17.940 13.154 36 HG2 LYS 4 2HG LYS 4 9.738 17.738 15.616 37 HG3 LYS 4 1HG LYS 4 11.233 18.622 15.931 38 HD2 LYS 4 2HD LYS 4 8.914 19.586 14.259 39 HD3 LYS 4 1HD LYS 4 9.312 20.126 15.890 40 HE2 LYS 4 2HE LYS 4 11.072 20.446 13.460 41 HE3 LYS 4 1HE LYS 4 10.058 21.708 14.154 42 HZ1 LYS 4 3HZ LYS 4 12.275 22.000 14.920 43 HZ2 LYS 4 1HZ LYS 4 12.389 20.386 15.434 44 HZ3 LYS 4 2HZ LYS 4 11.349 21.463 16.235 45 H ARG 5 H ARG 5 9.531 16.015 12.569 46 HA ARG 5 HA ARG 5 8.076 14.368 14.519 47 HE ARG 5 HE ARG 5 3.110 13.963 12.797 48 HB2 ARG 5 2HB ARG 5 6.812 16.267 13.732 49 HB3 ARG 5 1HB ARG 5 7.161 15.866 12.059 50 HG2 ARG 5 2HG ARG 5 5.836 13.808 12.292 51 HG3 ARG 5 1HG ARG 5 5.449 14.267 13.951 52 HD2 ARG 5 2HD ARG 5 4.285 16.217 13.215 53 HD3 ARG 5 1HD ARG 5 4.842 15.993 11.560 54 HH11 ARG 5 1HH1 ARG 5 3.666 16.461 10.412 55 HH12 ARG 5 2HH1 ARG 5 2.257 16.065 9.466 56 HH21 ARG 5 1HH2 ARG 5 1.237 13.425 11.543 57 HH22 ARG 5 2HH2 ARG 5 0.882 14.346 10.110 58 H VAL 6 H VAL 6 8.106 12.249 14.243 59 HA VAL 6 HA VAL 6 9.190 11.081 11.841 60 HB VAL 6 HB VAL 6 7.959 9.714 14.246 61 HG11 VAL 6 1HG1 VAL 6 9.740 8.657 12.053 62 HG12 VAL 6 2HG1 VAL 6 8.040 8.254 12.308 63 HG13 VAL 6 3HG1 VAL 6 9.253 7.759 13.490 64 HG21 VAL 6 3HG2 VAL 6 10.844 10.340 13.637 65 HG22 VAL 6 1HG2 VAL 6 10.264 9.390 15.004 66 HG23 VAL 6 2HG2 VAL 6 9.857 11.103 14.883 67 H ASP 7 H ASP 7 8.009 10.739 10.083 68 HA ASP 7 HA ASP 7 5.148 10.930 10.166 69 HB2 ASP 7 2HB ASP 7 5.285 10.618 7.718 70 HB3 ASP 7 1HB ASP 7 6.345 11.897 8.296 71 H GLY 8 H GLY 8 7.455 8.349 10.159 72 HA2 GLY 8 2HA GLY 8 5.604 6.455 11.013 73 HA3 GLY 8 1HA GLY 8 5.745 6.279 9.269 74 HA PRO 9 HA PRO 9 9.307 4.074 11.478 75 HB2 PRO 9 2HB PRO 9 7.943 1.543 11.129 76 HB3 PRO 9 1HB PRO 9 8.514 2.287 12.623 77 HG2 PRO 9 2HG PRO 9 5.875 1.960 12.010 78 HG3 PRO 9 1HG PRO 9 6.485 3.242 13.072 79 HD2 PRO 9 2HD PRO 9 5.685 3.382 10.190 80 HD3 PRO 9 1HD PRO 9 5.399 4.550 11.498 81 H ARG 10 H ARG 10 10.546 2.151 10.471 82 HA ARG 10 HA ARG 10 10.477 2.556 7.590 83 HE ARG 10 HE ARG 10 13.662 2.224 6.286 84 HB2 ARG 10 2HB ARG 10 12.453 1.083 9.334 85 HB3 ARG 10 1HB ARG 10 12.602 1.259 7.590 86 HG2 ARG 10 2HG ARG 10 12.380 3.818 8.181 87 HG3 ARG 10 1HG ARG 10 12.983 3.264 9.744 88 HD2 ARG 10 2HD ARG 10 14.850 3.919 8.376 89 HD3 ARG 10 1HD ARG 10 14.872 2.165 8.575 90 HH11 ARG 10 1HH1 ARG 10 16.226 4.386 7.311 91 HH12 ARG 10 2HH1 ARG 10 16.776 4.703 5.694 92 HH21 ARG 10 1HH2 ARG 10 14.373 2.662 4.147 93 HH22 ARG 10 2HH2 ARG 10 15.723 3.733 3.895 94 H GLN 11 H GLN 11 9.486 0.244 9.901 95 HA GLN 11 HA GLN 11 8.486 -1.451 7.771 96 HB2 GLN 11 2HB GLN 11 9.340 -3.527 8.880 97 HB3 GLN 11 1HB GLN 11 10.588 -2.538 8.137 98 HG2 GLN 11 2HG GLN 11 11.387 -1.790 10.209 99 HG3 GLN 11 1HG GLN 11 9.942 -2.344 11.058 100 HE21 GLN 11 1HE2 GLN 11 12.933 -3.318 9.553 101 HE22 GLN 11 2HE2 GLN 11 13.000 -4.902 10.254 102 H VAL 12 H VAL 12 6.680 -2.594 8.308 103 HA VAL 12 HA VAL 12 5.721 -2.410 11.089 104 HB VAL 12 HB VAL 12 3.396 -2.210 10.177 105 HG11 VAL 12 1HG1 VAL 12 4.559 -0.274 11.080 106 HG12 VAL 12 2HG1 VAL 12 3.540 0.191 9.720 107 HG13 VAL 12 3HG1 VAL 12 5.285 0.043 9.506 108 HG21 VAL 12 3HG2 VAL 12 3.086 -1.419 7.890 109 HG22 VAL 12 1HG2 VAL 12 3.835 -3.016 7.913 110 HG23 VAL 12 2HG2 VAL 12 4.816 -1.587 7.589 111 H THR 13 H THR 13 4.194 -4.090 11.679 112 HA THR 13 HA THR 13 4.904 -6.616 10.441 113 HB THR 13 HB THR 13 3.116 -6.274 12.839 114 HG1 THR 13 HG1 THR 13 5.784 -6.676 13.381 115 HG21 THR 13 3HG2 THR 13 5.094 -8.411 12.024 116 HG22 THR 13 1HG2 THR 13 3.339 -8.530 11.911 117 HG23 THR 13 2HG2 THR 13 4.117 -8.422 13.490 118 H LEU 14 H LEU 14 3.542 -7.905 9.304 119 HA LEU 14 HA LEU 14 0.886 -6.870 8.669 120 HG LEU 14 HG LEU 14 2.167 -7.945 5.365 121 HB2 LEU 14 2HB LEU 14 2.482 -9.180 7.546 122 HB3 LEU 14 1HB LEU 14 0.836 -8.828 7.066 123 HD11 LEU 14 1HD1 LEU 14 1.521 -5.677 7.229 124 HD12 LEU 14 2HD1 LEU 14 0.446 -6.398 6.031 125 HD13 LEU 14 3HD1 LEU 14 1.884 -5.517 5.511 126 HD21 LEU 14 3HD2 LEU 14 4.293 -8.081 6.595 127 HD22 LEU 14 1HD2 LEU 14 3.879 -6.582 7.424 128 HD23 LEU 14 2HD2 LEU 14 4.116 -6.590 5.677 129 HA PRO 15 HA PRO 15 -1.237 -9.823 11.239 130 HB2 PRO 15 2HB PRO 15 -3.495 -10.288 9.838 131 HB3 PRO 15 1HB PRO 15 -3.186 -8.741 10.634 132 HG2 PRO 15 2HG PRO 15 -2.848 -9.489 7.757 133 HG3 PRO 15 1HG PRO 15 -3.536 -8.012 8.454 134 HD2 PRO 15 2HD PRO 15 -0.990 -8.168 7.495 135 HD3 PRO 15 1HD PRO 15 -1.471 -7.072 8.807 136 H ASP 16 H ASP 16 0.015 -10.560 8.247 137 HA ASP 16 HA ASP 16 -0.685 -13.397 8.414 138 HB2 ASP 16 2HB ASP 16 0.402 -13.457 6.102 139 HB3 ASP 16 1HB ASP 16 -1.121 -12.588 6.234 140 H GLY 17 H GLY 17 1.579 -11.409 9.623 141 HA2 GLY 17 2HA GLY 17 3.299 -12.262 10.997 142 HA3 GLY 17 1HA GLY 17 3.392 -13.677 9.966 143 H THR 18 H THR 18 3.330 -11.375 7.761 144 HA THR 18 HA THR 18 6.172 -11.489 7.339 145 HB THR 18 HB THR 18 4.124 -9.938 5.740 146 HG1 THR 18 HG1 THR 18 3.312 -11.942 5.613 147 HG21 THR 18 3HG2 THR 18 5.643 -10.336 3.865 148 HG22 THR 18 1HG2 THR 18 6.755 -11.186 4.935 149 HG23 THR 18 2HG2 THR 18 6.459 -9.462 5.161 150 H VAL 19 H VAL 19 7.397 -9.474 6.740 151 HA VAL 19 HA VAL 19 6.605 -7.162 8.383 152 HB VAL 19 HB VAL 19 9.364 -8.021 7.478 153 HG11 VAL 19 1HG1 VAL 19 8.552 -5.529 8.980 154 HG12 VAL 19 2HG1 VAL 19 9.184 -5.593 7.334 155 HG13 VAL 19 3HG1 VAL 19 10.211 -6.058 8.690 156 HG21 VAL 19 3HG2 VAL 19 8.597 -9.257 9.399 157 HG22 VAL 19 1HG2 VAL 19 8.120 -7.765 10.210 158 HG23 VAL 19 2HG2 VAL 19 9.824 -8.094 9.905 159 H LEU 20 H LEU 20 6.243 -5.265 7.398 160 HA LEU 20 HA LEU 20 6.819 -5.087 4.514 161 HG LEU 20 HG LEU 20 5.222 -2.206 4.493 162 HB2 LEU 20 2HB LEU 20 4.456 -5.097 4.878 163 HB3 LEU 20 1HB LEU 20 4.580 -3.907 6.156 164 HD11 LEU 20 1HD1 LEU 20 5.022 -2.677 2.113 165 HD12 LEU 20 2HD1 LEU 20 4.690 -4.374 2.463 166 HD13 LEU 20 3HD1 LEU 20 6.270 -3.687 2.845 167 HD21 LEU 20 3HD2 LEU 20 2.887 -2.502 5.127 168 HD22 LEU 20 1HD2 LEU 20 2.682 -3.687 3.837 169 HD23 LEU 20 2HD2 LEU 20 3.034 -2.004 3.441 170 H SER 21 H SER 21 8.628 -3.953 4.297 171 HA SER 21 HA SER 21 9.101 -1.655 6.029 172 HG SER 21 HG SER 21 10.615 -4.090 3.756 173 HB2 SER 21 2HB SER 21 11.363 -1.652 4.996 174 HB3 SER 21 1HB SER 21 10.962 -3.194 5.748 175 H ARG 22 H ARG 22 9.928 0.359 4.988 176 HA ARG 22 HA ARG 22 8.063 1.248 3.036 177 HE ARG 22 HE ARG 22 7.047 4.441 6.546 178 HB2 ARG 22 2HB ARG 22 10.445 2.517 4.358 179 HB3 ARG 22 1HB ARG 22 9.570 3.343 3.075 180 HG2 ARG 22 2HG ARG 22 7.510 3.190 4.379 181 HG3 ARG 22 1HG ARG 22 8.390 2.368 5.667 182 HD2 ARG 22 2HD ARG 22 9.660 4.291 6.161 183 HD3 ARG 22 1HD ARG 22 9.164 5.096 4.669 184 HH11 ARG 22 1HH1 ARG 22 9.255 6.890 5.356 185 HH12 ARG 22 2HH1 ARG 22 8.292 8.207 5.965 186 HH21 ARG 22 1HH2 ARG 22 5.789 6.191 7.299 187 HH22 ARG 22 2HH2 ARG 22 6.358 7.820 7.049 188 H ALA 23 H ALA 23 11.012 -0.367 2.755 189 HA ALA 23 HA ALA 23 11.503 0.592 0.043 190 HB1 ALA 23 3HB ALA 23 13.481 -0.830 0.094 191 HB2 ALA 23 1HB ALA 23 12.988 -1.478 1.659 192 HB3 ALA 23 2HB ALA 23 13.430 0.221 1.509 193 H ASP 24 H ASP 24 9.580 -1.645 1.557 194 HA ASP 24 HA ASP 24 9.737 -3.661 -0.544 195 HB2 ASP 24 2HB ASP 24 9.528 -4.293 1.885 196 HB3 ASP 24 1HB ASP 24 7.909 -3.606 1.865 197 H LEU 25 H LEU 25 8.041 -0.831 0.182 198 HA LEU 25 HA LEU 25 5.567 -1.280 -1.042 199 HG LEU 25 HG LEU 25 6.208 0.378 1.289 200 HB2 LEU 25 2HB LEU 25 7.284 1.180 -0.807 201 HB3 LEU 25 1HB LEU 25 5.704 1.213 -1.566 202 HD11 LEU 25 1HD1 LEU 25 5.253 2.525 1.904 203 HD12 LEU 25 2HD1 LEU 25 5.105 2.968 0.205 204 HD13 LEU 25 3HD1 LEU 25 6.702 2.754 0.925 205 HD21 LEU 25 3HD2 LEU 25 3.775 0.575 1.498 206 HD22 LEU 25 1HD2 LEU 25 4.228 -0.649 0.313 207 HD23 LEU 25 2HD2 LEU 25 3.658 0.930 -0.226 208 HA PRO 26 HA PRO 26 6.592 -2.022 -5.270 209 HB2 PRO 26 2HB PRO 26 4.292 -1.043 -6.417 210 HB3 PRO 26 1HB PRO 26 4.422 -2.635 -5.663 211 HG2 PRO 26 2HG PRO 26 3.350 -0.084 -4.532 212 HG3 PRO 26 1HG PRO 26 2.706 -1.730 -4.394 213 HD2 PRO 26 2HD PRO 26 4.075 -0.597 -2.389 214 HD3 PRO 26 1HD PRO 26 4.240 -2.328 -2.757 215 HA PRO 27 HA PRO 27 8.375 1.811 -6.627 216 HB2 PRO 27 2HB PRO 27 9.057 1.013 -9.137 217 HB3 PRO 27 1HB PRO 27 9.951 0.525 -7.691 218 HG2 PRO 27 2HG PRO 27 7.816 -0.967 -9.185 219 HG3 PRO 27 1HG PRO 27 9.386 -1.556 -8.595 220 HD2 PRO 27 2HD PRO 27 7.134 -2.040 -7.244 221 HD3 PRO 27 1HD PRO 27 8.651 -1.672 -6.394 222 H LEU 28 H LEU 28 8.197 3.372 -8.415 223 HA LEU 28 HA LEU 28 5.396 3.862 -8.902 224 HG LEU 28 HG LEU 28 7.822 5.303 -7.323 225 HB2 LEU 28 2HB LEU 28 7.794 5.480 -9.760 226 HB3 LEU 28 1HB LEU 28 6.128 6.027 -9.717 227 HD11 LEU 28 1HD1 LEU 28 8.477 7.409 -8.341 228 HD12 LEU 28 2HD1 LEU 28 7.669 7.684 -6.797 229 HD13 LEU 28 3HD1 LEU 28 6.802 7.964 -8.307 230 HD21 LEU 28 3HD2 LEU 28 5.954 6.107 -5.982 231 HD22 LEU 28 1HD2 LEU 28 5.468 4.732 -6.973 232 HD23 LEU 28 2HD2 LEU 28 4.999 6.367 -7.442 233 H ASP 29 H ASP 29 7.694 2.148 -10.584 234 HA ASP 29 HA ASP 29 7.048 2.911 -13.265 235 HB2 ASP 29 2HB ASP 29 8.474 1.216 -13.948 236 HB3 ASP 29 1HB ASP 29 9.092 1.504 -12.326 237 H THR 30 H THR 30 5.600 1.024 -10.856 238 HA THR 30 HA THR 30 4.270 -0.831 -12.582 239 HB THR 30 HB THR 30 4.056 -0.288 -9.623 240 HG1 THR 30 HG1 THR 30 6.049 -1.221 -10.509 241 HG21 THR 30 3HG2 THR 30 2.859 -2.536 -11.249 242 HG22 THR 30 1HG2 THR 30 1.960 -1.227 -10.479 243 HG23 THR 30 2HG2 THR 30 2.828 -2.401 -9.489 244 H ARG 31 H ARG 31 2.600 -0.256 -13.765 245 HA ARG 31 HA ARG 31 0.502 1.357 -12.482 246 HE ARG 31 HE ARG 31 -1.206 3.368 -14.244 247 HB2 ARG 31 2HB ARG 31 1.311 1.149 -15.371 248 HB3 ARG 31 1HB ARG 31 -0.280 1.730 -14.901 249 HG2 ARG 31 2HG ARG 31 2.366 2.949 -14.143 250 HG3 ARG 31 1HG ARG 31 1.189 3.597 -15.290 251 HD2 ARG 31 2HD ARG 31 0.907 3.304 -12.306 252 HD3 ARG 31 1HD ARG 31 0.889 4.789 -13.258 253 HH11 ARG 31 1HH1 ARG 31 -0.301 4.483 -11.047 254 HH12 ARG 31 2HH1 ARG 31 -1.934 4.519 -10.463 255 HH21 ARG 31 1HH2 ARG 31 -3.339 3.381 -13.472 256 HH22 ARG 31 2HH2 ARG 31 -3.667 3.889 -11.833 257 H ARG 32 H ARG 32 1.292 -1.560 -14.236 258 HA ARG 32 HA ARG 32 -1.394 -2.558 -14.192 259 HE ARG 32 HE ARG 32 2.252 -5.115 -16.006 260 HB2 ARG 32 2HB ARG 32 1.260 -3.947 -14.555 261 HB3 ARG 32 1HB ARG 32 -0.283 -4.788 -14.603 262 HG2 ARG 32 2HG ARG 32 -0.966 -3.298 -16.462 263 HG3 ARG 32 1HG ARG 32 0.668 -2.633 -16.467 264 HD2 ARG 32 2HD ARG 32 -0.062 -5.526 -16.902 265 HD3 ARG 32 1HD ARG 32 0.374 -4.379 -18.167 266 HH11 ARG 32 1HH1 ARG 32 1.489 -4.694 -19.401 267 HH12 ARG 32 2HH1 ARG 32 3.108 -5.032 -19.935 268 HH21 ARG 32 1HH2 ARG 32 4.380 -5.582 -16.717 269 HH22 ARG 32 2HH2 ARG 32 4.738 -5.541 -18.419 270 H TRP 33 H TRP 33 -1.880 -1.970 -12.037 271 HA TRP 33 HA TRP 33 -0.493 -3.087 -9.832 272 HD1 TRP 33 HD1 TRP 33 -2.296 0.557 -10.959 273 HE1 TRP 33 HE1 TRP 33 -0.601 2.273 -10.060 274 HE3 TRP 33 HE3 TRP 33 -0.283 -2.207 -7.176 275 HZ2 TRP 33 HZ2 TRP 33 1.332 2.432 -8.004 276 HZ3 TRP 33 HZ3 TRP 33 1.474 -1.208 -5.783 277 HH2 TRP 33 HH2 TRP 33 2.268 1.062 -6.190 278 HB2 TRP 33 2HB TRP 33 -3.177 -1.747 -10.099 279 HB3 TRP 33 1HB TRP 33 -2.548 -2.321 -8.555 280 H VAL 34 H VAL 34 -0.428 -5.145 -9.411 281 HA VAL 34 HA VAL 34 -2.834 -6.784 -9.745 282 HB VAL 34 HB VAL 34 -1.365 -8.731 -9.523 283 HG11 VAL 34 1HG1 VAL 34 -0.363 -6.721 -11.544 284 HG12 VAL 34 2HG1 VAL 34 -1.736 -7.808 -11.745 285 HG13 VAL 34 3HG1 VAL 34 -0.106 -8.466 -11.614 286 HG21 VAL 34 3HG2 VAL 34 0.883 -6.723 -9.304 287 HG22 VAL 34 1HG2 VAL 34 1.068 -8.475 -9.433 288 HG23 VAL 34 2HG2 VAL 34 0.300 -7.770 -8.009 289 H ALA 35 H ALA 35 -3.087 -8.500 -7.968 290 HA ALA 35 HA ALA 35 -3.835 -7.184 -5.651 291 HB1 ALA 35 3HB ALA 35 -4.206 -9.389 -4.680 292 HB2 ALA 35 1HB ALA 35 -3.261 -10.123 -5.977 293 HB3 ALA 35 2HB ALA 35 -4.782 -9.309 -6.345 294 H SER 36 H SER 36 -0.861 -9.026 -6.234 295 HA SER 36 HA SER 36 0.145 -9.086 -3.641 296 HG SER 36 HG SER 36 1.413 -11.286 -5.202 297 HB2 SER 36 2HB SER 36 1.779 -8.751 -6.165 298 HB3 SER 36 1HB SER 36 2.309 -9.474 -4.646 299 H ARG 37 H ARG 37 0.638 -6.634 -6.161 300 HA ARG 37 HA ARG 37 2.316 -5.012 -4.514 301 HE ARG 37 HE ARG 37 4.256 -5.805 -9.802 302 HB2 ARG 37 2HB ARG 37 0.933 -4.381 -7.127 303 HB3 ARG 37 1HB ARG 37 2.157 -3.378 -6.361 304 HG2 ARG 37 2HG ARG 37 3.731 -5.314 -6.527 305 HG3 ARG 37 1HG ARG 37 2.506 -6.146 -7.489 306 HD2 ARG 37 2HD ARG 37 2.562 -4.370 -9.137 307 HD3 ARG 37 1HD ARG 37 3.715 -3.468 -8.157 308 HH11 ARG 37 1HH1 ARG 37 5.414 -3.600 -7.352 309 HH12 ARG 37 2HH1 ARG 37 7.092 -3.918 -7.661 310 HH21 ARG 37 1HH2 ARG 37 6.468 -6.209 -10.251 311 HH22 ARG 37 2HH2 ARG 37 7.688 -5.364 -9.347 312 H LYS 38 H LYS 38 -1.089 -5.010 -5.389 313 HA LYS 38 HA LYS 38 -1.793 -2.535 -4.252 314 HB2 LYS 38 2HB LYS 38 -3.443 -5.050 -4.570 315 HB3 LYS 38 1HB LYS 38 -4.095 -3.484 -4.115 316 HG2 LYS 38 2HG LYS 38 -3.284 -2.572 -6.266 317 HG3 LYS 38 1HG LYS 38 -2.766 -4.196 -6.719 318 HD2 LYS 38 2HD LYS 38 -5.085 -4.985 -6.484 319 HD3 LYS 38 1HD LYS 38 -5.590 -3.347 -6.066 320 HE2 LYS 38 2HE LYS 38 -4.792 -2.568 -8.262 321 HE3 LYS 38 1HE LYS 38 -4.349 -4.224 -8.671 322 HZ1 LYS 38 3HZ LYS 38 -6.426 -3.829 -9.654 323 HZ2 LYS 38 1HZ LYS 38 -7.067 -3.118 -8.254 324 HZ3 LYS 38 2HZ LYS 38 -6.759 -4.784 -8.291 325 H ALA 39 H ALA 39 -1.653 -5.797 -2.901 326 HA ALA 39 HA ALA 39 -2.700 -5.276 -0.372 327 HB1 ALA 39 3HB ALA 39 -0.586 -7.283 -1.140 328 HB2 ALA 39 1HB ALA 39 -2.330 -7.530 -1.205 329 HB3 ALA 39 2HB ALA 39 -1.529 -7.301 0.349 330 H ALA 40 H ALA 40 0.648 -5.074 -1.524 331 HA ALA 40 HA ALA 40 1.858 -4.479 0.925 332 HB1 ALA 40 3HB ALA 40 3.716 -3.617 -0.369 333 HB2 ALA 40 1HB ALA 40 2.699 -3.518 -1.807 334 HB3 ALA 40 2HB ALA 40 3.091 -5.089 -1.110 335 H VAL 41 H VAL 41 0.389 -2.334 -1.483 336 HA VAL 41 HA VAL 41 1.142 0.092 -0.225 337 HB VAL 41 HB VAL 41 -1.177 -0.423 -2.091 338 HG11 VAL 41 1HG1 VAL 41 -1.066 1.980 -2.558 339 HG12 VAL 41 2HG1 VAL 41 0.176 2.158 -1.318 340 HG13 VAL 41 3HG1 VAL 41 -1.455 1.659 -0.868 341 HG21 VAL 41 3HG2 VAL 41 0.310 0.401 -3.844 342 HG22 VAL 41 1HG2 VAL 41 0.963 -1.046 -3.073 343 HG23 VAL 41 2HG2 VAL 41 1.618 0.538 -2.667 344 H VAL 42 H VAL 42 -1.923 -1.727 -0.203 345 HA VAL 42 HA VAL 42 -3.247 0.150 1.441 346 HB VAL 42 HB VAL 42 -4.470 -1.389 -0.026 347 HG11 VAL 42 1HG1 VAL 42 -4.848 -3.716 0.629 348 HG12 VAL 42 2HG1 VAL 42 -3.676 -3.533 1.934 349 HG13 VAL 42 3HG1 VAL 42 -3.153 -3.404 0.255 350 HG21 VAL 42 3HG2 VAL 42 -6.270 -1.955 1.528 351 HG22 VAL 42 1HG2 VAL 42 -5.637 -0.334 1.814 352 HG23 VAL 42 2HG2 VAL 42 -5.184 -1.662 2.885 353 H LYS 43 H LYS 43 -1.508 -2.853 2.184 354 HA LYS 43 HA LYS 43 -2.215 -2.903 4.928 355 HB2 LYS 43 2HB LYS 43 0.105 -4.134 3.442 356 HB3 LYS 43 1HB LYS 43 -0.176 -4.389 5.159 357 HG2 LYS 43 2HG LYS 43 -2.350 -5.391 4.655 358 HG3 LYS 43 1HG LYS 43 -2.068 -5.126 2.933 359 HD2 LYS 43 2HD LYS 43 -0.133 -6.597 2.999 360 HD3 LYS 43 1HD LYS 43 -0.345 -6.825 4.736 361 HE2 LYS 43 2HE LYS 43 -2.531 -7.850 4.327 362 HE3 LYS 43 1HE LYS 43 -2.308 -7.629 2.593 363 HZ1 LYS 43 3HZ LYS 43 -1.764 -9.874 3.226 364 HZ2 LYS 43 1HZ LYS 43 -0.637 -9.337 4.373 365 HZ3 LYS 43 2HZ LYS 43 -0.352 -9.079 2.718 366 H ALA 44 H ALA 44 0.215 -1.181 3.126 367 HA ALA 44 HA ALA 44 1.891 -0.442 5.264 368 HB1 ALA 44 3HB ALA 44 2.532 -0.169 2.922 369 HB2 ALA 44 1HB ALA 44 2.668 1.352 3.802 370 HB3 ALA 44 2HB ALA 44 1.298 1.073 2.724 371 H VAL 45 H VAL 45 -0.925 1.170 3.819 372 HA VAL 45 HA VAL 45 -0.903 3.386 5.598 373 HB VAL 45 HB VAL 45 -3.216 2.270 3.996 374 HG11 VAL 45 1HG1 VAL 45 -4.197 4.490 4.215 375 HG12 VAL 45 2HG1 VAL 45 -2.828 5.011 5.197 376 HG13 VAL 45 3HG1 VAL 45 -3.926 3.770 5.804 377 HG21 VAL 45 3HG2 VAL 45 -1.234 4.438 3.305 378 HG22 VAL 45 1HG2 VAL 45 -2.630 3.971 2.337 379 HG23 VAL 45 2HG2 VAL 45 -1.307 2.831 2.581 380 H ILE 46 H ILE 46 -2.621 0.307 5.557 381 HA ILE 46 HA ILE 46 -4.321 0.789 7.735 382 HB ILE 46 HB ILE 46 -3.276 -1.785 6.561 383 HG12 ILE 46 2HG1 ILE 46 -5.940 -0.364 6.364 384 HG13 ILE 46 1HG1 ILE 46 -4.707 -0.421 5.109 385 HG21 ILE 46 1HG2 ILE 46 -3.879 -2.213 8.877 386 HG22 ILE 46 2HG2 ILE 46 -5.054 -2.942 7.780 387 HG23 ILE 46 3HG2 ILE 46 -5.446 -1.444 8.622 388 HD11 ILE 46 3HD1 ILE 46 -6.265 -2.766 6.175 389 HD12 ILE 46 1HD1 ILE 46 -5.016 -2.844 4.931 390 HD13 ILE 46 2HD1 ILE 46 -6.511 -1.958 4.626 391 H HIS 47 H HIS 47 -0.942 -0.099 7.649 392 HA HIS 47 HA HIS 47 -1.038 -0.715 10.519 393 HD1 HIS 47 HD1 HIS 47 -0.880 -3.027 11.211 394 HD2 HIS 47 HD2 HIS 47 0.420 -3.618 7.312 395 HE1 HIS 47 HE1 HIS 47 -1.742 -5.292 10.550 396 HE2 HIS 47 HE2 HIS 47 -0.783 -5.694 8.259 397 HB2 HIS 47 2HB HIS 47 1.078 -1.272 8.450 398 HB3 HIS 47 1HB HIS 47 1.336 -1.506 10.177 399 H GLY 48 H GLY 48 -0.560 1.936 8.648 400 HA2 GLY 48 2HA GLY 48 0.029 4.052 9.403 401 HA3 GLY 48 1HA GLY 48 0.615 3.323 10.891 402 H LEU 49 H LEU 49 1.757 1.988 7.955 403 HA LEU 49 HA LEU 49 4.460 2.798 8.465 404 HG LEU 49 HG LEU 49 5.560 2.379 5.681 405 HB2 LEU 49 2HB LEU 49 3.866 0.619 7.446 406 HB3 LEU 49 1HB LEU 49 3.237 1.459 6.042 407 HD11 LEU 49 1HD1 LEU 49 7.413 1.207 6.739 408 HD12 LEU 49 2HD1 LEU 49 6.279 0.271 7.713 409 HD13 LEU 49 3HD1 LEU 49 6.408 2.015 7.943 410 HD21 LEU 49 3HD2 LEU 49 5.179 -0.608 5.581 411 HD22 LEU 49 1HD2 LEU 49 6.382 0.308 4.672 412 HD23 LEU 49 2HD2 LEU 49 4.665 0.550 4.357 413 H ILE 50 H ILE 50 2.027 3.475 6.003 414 HA ILE 50 HA ILE 50 3.240 6.120 5.596 415 HB ILE 50 HB ILE 50 2.757 6.087 3.229 416 HG12 ILE 50 2HG1 ILE 50 1.899 3.203 3.460 417 HG13 ILE 50 1HG1 ILE 50 0.749 4.536 3.509 418 HG21 ILE 50 1HG2 ILE 50 4.933 5.231 3.833 419 HG22 ILE 50 2HG2 ILE 50 4.316 4.335 2.443 420 HG23 ILE 50 3HG2 ILE 50 4.272 3.612 4.051 421 HD11 ILE 50 3HD1 ILE 50 0.914 3.547 1.287 422 HD12 ILE 50 1HD1 ILE 50 2.634 3.938 1.240 423 HD13 ILE 50 2HD1 ILE 50 1.435 5.232 1.290 424 H THR 51 H THR 51 1.545 7.605 4.537 425 HA THR 51 HA THR 51 -0.998 7.106 5.873 426 HB THR 51 HB THR 51 -0.144 9.236 6.448 427 HG1 THR 51 HG1 THR 51 -2.277 9.548 6.134 428 HG21 THR 51 3HG2 THR 51 1.491 9.537 4.682 429 HG22 THR 51 1HG2 THR 51 0.453 10.958 4.790 430 HG23 THR 51 2HG2 THR 51 0.205 9.780 3.504 431 H GLU 52 H GLU 52 -2.992 7.592 4.765 432 HA GLU 52 HA GLU 52 -3.247 6.141 2.385 433 HB2 GLU 52 2HB GLU 52 -4.972 6.684 4.227 434 HB3 GLU 52 1HB GLU 52 -5.252 8.169 3.333 435 HG2 GLU 52 2HG GLU 52 -5.984 6.954 1.409 436 HG3 GLU 52 1HG GLU 52 -5.516 5.420 2.143 437 H ARG 53 H ARG 53 -3.126 9.604 3.026 438 HA ARG 53 HA ARG 53 -3.589 10.562 0.441 439 HE ARG 53 HE ARG 53 -3.094 12.667 -0.710 440 HB2 ARG 53 2HB ARG 53 -2.139 11.614 2.825 441 HB3 ARG 53 1HB ARG 53 -1.908 12.426 1.284 442 HG2 ARG 53 2HG ARG 53 -4.514 11.996 2.720 443 HG3 ARG 53 1HG ARG 53 -3.641 13.519 2.542 444 HD2 ARG 53 2HD ARG 53 -5.047 11.910 0.428 445 HD3 ARG 53 1HD ARG 53 -5.367 13.568 0.931 446 HH11 ARG 53 1HH1 ARG 53 -4.970 15.283 0.669 447 HH12 ARG 53 2HH1 ARG 53 -4.415 16.453 -0.493 448 HH21 ARG 53 1HH2 ARG 53 -2.327 14.206 -2.207 449 HH22 ARG 53 2HH2 ARG 53 -2.893 15.851 -2.103 450 H GLU 54 H GLU 54 -0.643 9.489 2.012 451 HA GLU 54 HA GLU 54 1.209 10.180 0.052 452 HB2 GLU 54 2HB GLU 54 1.898 9.455 2.268 453 HB3 GLU 54 1HB GLU 54 1.207 7.865 1.998 454 HG2 GLU 54 2HG GLU 54 3.637 7.849 1.815 455 HG3 GLU 54 1HG GLU 54 2.862 7.398 0.297 456 H ALA 55 H ALA 55 -0.660 7.196 0.505 457 HA ALA 55 HA ALA 55 0.434 5.791 -1.673 458 HB1 ALA 55 3HB ALA 55 -0.865 4.724 0.115 459 HB2 ALA 55 1HB ALA 55 -1.493 4.321 -1.483 460 HB3 ALA 55 2HB ALA 55 -2.324 5.512 -0.483 461 H LEU 56 H LEU 56 -2.475 7.820 -1.446 462 HA LEU 56 HA LEU 56 -3.338 7.411 -4.108 463 HG LEU 56 HG LEU 56 -4.494 7.704 -1.194 464 HB2 LEU 56 2HB LEU 56 -3.878 9.830 -2.386 465 HB3 LEU 56 1HB LEU 56 -4.826 9.274 -3.747 466 HD11 LEU 56 1HD1 LEU 56 -6.737 9.519 -2.067 467 HD12 LEU 56 2HD1 LEU 56 -5.636 9.781 -0.714 468 HD13 LEU 56 3HD1 LEU 56 -6.779 8.437 -0.673 469 HD21 LEU 56 3HD2 LEU 56 -5.047 6.330 -3.110 470 HD22 LEU 56 1HD2 LEU 56 -6.375 7.411 -3.534 471 HD23 LEU 56 2HD2 LEU 56 -6.443 6.470 -2.045 472 H ASP 57 H ASP 57 -1.123 9.721 -2.655 473 HA ASP 57 HA ASP 57 -0.931 11.356 -5.001 474 HB2 ASP 57 2HB ASP 57 0.754 11.196 -2.500 475 HB3 ASP 57 1HB ASP 57 1.129 12.285 -3.828 476 H ARG 58 H ARG 58 1.361 9.089 -3.448 477 HA ARG 58 HA ARG 58 3.337 9.440 -5.427 478 HE ARG 58 HE ARG 58 4.781 4.737 -2.968 479 HB2 ARG 58 2HB ARG 58 4.509 7.592 -4.371 480 HB3 ARG 58 1HB ARG 58 3.839 8.664 -3.149 481 HG2 ARG 58 2HG ARG 58 1.919 7.063 -2.944 482 HG3 ARG 58 1HG ARG 58 2.831 5.957 -3.974 483 HD2 ARG 58 2HD ARG 58 3.953 7.113 -1.432 484 HD3 ARG 58 1HD ARG 58 3.026 5.614 -1.466 485 HH11 ARG 58 1HH1 ARG 58 5.526 7.559 -1.018 486 HH12 ARG 58 2HH1 ARG 58 7.216 7.146 -0.856 487 HH21 ARG 58 1HH2 ARG 58 6.990 4.200 -2.738 488 HH22 ARG 58 2HH2 ARG 58 8.031 5.225 -1.803 489 H TYR 59 H TYR 59 0.685 7.129 -5.188 490 HA TYR 59 HA TYR 59 1.763 5.728 -7.535 491 HD1 TYR 59 HD2 TYR 59 2.909 3.885 -6.902 492 HD2 TYR 59 HD1 TYR 59 0.224 4.103 -3.616 493 HE1 TYR 59 HE2 TYR 59 4.616 2.879 -5.453 494 HE2 TYR 59 HE1 TYR 59 1.928 3.107 -2.151 495 HH TYR 59 HH TYR 59 3.965 1.640 -2.421 496 HB2 TYR 59 2HB TYR 59 -0.458 4.915 -5.650 497 HB3 TYR 59 1HB TYR 59 0.130 3.957 -7.005 498 H SER 60 H SER 60 -0.132 8.277 -7.002 499 HA SER 60 HA SER 60 -1.820 9.342 -8.070 500 HG SER 60 HG SER 60 -0.178 10.208 -9.535 501 HB2 SER 60 2HB SER 60 -0.908 7.582 -10.363 502 HB3 SER 60 1HB SER 60 -1.938 9.006 -10.525 503 H LEU 61 H LEU 61 -3.028 7.892 -6.470 504 HA LEU 61 HA LEU 61 -4.870 6.086 -7.894 505 HG LEU 61 HG LEU 61 -2.265 5.386 -6.095 506 HB2 LEU 61 2HB LEU 61 -4.304 6.162 -4.933 507 HB3 LEU 61 1HB LEU 61 -5.238 4.960 -5.798 508 HD11 LEU 61 1HD1 LEU 61 -2.887 4.499 -3.901 509 HD12 LEU 61 2HD1 LEU 61 -2.045 3.295 -4.877 510 HD13 LEU 61 3HD1 LEU 61 -3.797 3.208 -4.685 511 HD21 LEU 61 3HD2 LEU 61 -4.062 3.230 -7.195 512 HD22 LEU 61 1HD2 LEU 61 -2.309 3.310 -7.363 513 HD23 LEU 61 2HD2 LEU 61 -3.326 4.531 -8.130 514 H SER 62 H SER 62 -7.063 6.296 -7.543 515 HA SER 62 HA SER 62 -7.916 8.821 -6.325 516 HG SER 62 HG SER 62 -8.400 7.578 -9.589 517 HB2 SER 62 2HB SER 62 -9.564 6.886 -7.979 518 HB3 SER 62 1HB SER 62 -9.959 8.556 -7.576 519 H GLU 63 H GLU 63 -10.152 8.653 -5.214 520 HA GLU 63 HA GLU 63 -9.757 7.256 -2.846 521 HB2 GLU 63 2HB GLU 63 -11.214 9.301 -3.297 522 HB3 GLU 63 1HB GLU 63 -12.446 8.168 -3.842 523 HG2 GLU 63 2HG GLU 63 -12.314 7.052 -1.642 524 HG3 GLU 63 1HG GLU 63 -11.201 8.314 -1.122 525 H GLU 64 H GLU 64 -11.845 6.477 -5.622 526 HA GLU 64 HA GLU 64 -12.990 4.160 -4.447 527 HB2 GLU 64 2HB GLU 64 -13.578 3.544 -6.819 528 HB3 GLU 64 1HB GLU 64 -14.160 5.112 -6.278 529 HG2 GLU 64 2HG GLU 64 -11.553 5.011 -7.683 530 HG3 GLU 64 1HG GLU 64 -13.016 4.767 -8.631 531 H GLU 65 H GLU 65 -10.061 4.740 -6.250 532 HA GLU 65 HA GLU 65 -9.420 2.116 -6.994 533 HB2 GLU 65 2HB GLU 65 -8.245 4.137 -7.811 534 HB3 GLU 65 1HB GLU 65 -7.547 4.358 -6.214 535 HG2 GLU 65 2HG GLU 65 -5.852 3.366 -7.440 536 HG3 GLU 65 1HG GLU 65 -6.549 2.033 -6.522 537 H PHE 66 H PHE 66 -8.195 3.993 -4.230 538 HA PHE 66 HA PHE 66 -6.923 1.826 -2.972 539 HD1 PHE 66 HD1 PHE 66 -4.579 2.977 -1.890 540 HD2 PHE 66 HD2 PHE 66 -7.975 3.375 0.642 541 HE1 PHE 66 HE1 PHE 66 -3.229 2.237 0.030 542 HE2 PHE 66 HE2 PHE 66 -6.632 2.637 2.563 543 HZ PHE 66 HZ PHE 66 -4.259 2.068 2.260 544 HB2 PHE 66 2HB PHE 66 -6.560 4.309 -2.543 545 HB3 PHE 66 1HB PHE 66 -8.014 4.258 -1.555 546 H ALA 67 H ALA 67 -10.200 3.052 -2.818 547 HA ALA 67 HA ALA 67 -11.101 1.578 -0.600 548 HB1 ALA 67 3HB ALA 67 -12.674 2.447 -3.023 549 HB2 ALA 67 1HB ALA 67 -12.387 3.413 -1.578 550 HB3 ALA 67 2HB ALA 67 -13.348 1.938 -1.475 551 H LEU 68 H LEU 68 -10.954 0.770 -4.052 552 HA LEU 68 HA LEU 68 -12.155 -1.778 -3.836 553 HG LEU 68 HG LEU 68 -12.244 0.498 -5.999 554 HB2 LEU 68 2HB LEU 68 -10.144 -0.737 -5.836 555 HB3 LEU 68 1HB LEU 68 -11.005 -2.256 -5.995 556 HD11 LEU 68 1HD1 LEU 68 -11.912 -1.546 -8.190 557 HD12 LEU 68 2HD1 LEU 68 -11.034 -0.023 -8.047 558 HD13 LEU 68 3HD1 LEU 68 -12.774 -0.014 -8.329 559 HD21 LEU 68 3HD2 LEU 68 -14.326 -0.677 -6.548 560 HD22 LEU 68 1HD2 LEU 68 -13.727 -1.104 -4.944 561 HD23 LEU 68 2HD2 LEU 68 -13.511 -2.220 -6.294 562 H TRP 69 H TRP 69 -8.772 -0.732 -3.767 563 HA TRP 69 HA TRP 69 -7.548 -3.231 -3.605 564 HD1 TRP 69 HD1 TRP 69 -7.797 -1.343 -5.520 565 HE1 TRP 69 HE1 TRP 69 -6.350 -0.352 -7.402 566 HE3 TRP 69 HE3 TRP 69 -3.502 -0.511 -2.876 567 HZ2 TRP 69 HZ2 TRP 69 -3.723 0.619 -7.723 568 HZ3 TRP 69 HZ3 TRP 69 -1.567 0.445 -4.047 569 HH2 TRP 69 HH2 TRP 69 -1.677 0.998 -6.422 570 HB2 TRP 69 2HB TRP 69 -6.681 -0.617 -2.345 571 HB3 TRP 69 1HB TRP 69 -5.657 -2.038 -2.497 572 H ARG 70 H ARG 70 -8.630 -1.109 -0.961 573 HA ARG 70 HA ARG 70 -7.780 -2.905 1.073 574 HE ARG 70 HE ARG 70 -9.747 0.328 3.770 575 HB2 ARG 70 2HB ARG 70 -8.848 -1.419 2.632 576 HB3 ARG 70 1HB ARG 70 -8.032 -0.458 1.410 577 HG2 ARG 70 2HG ARG 70 -10.340 -0.368 0.263 578 HG3 ARG 70 1HG ARG 70 -10.960 -0.877 1.835 579 HD2 ARG 70 2HD ARG 70 -9.342 1.588 1.224 580 HD3 ARG 70 1HD ARG 70 -11.039 1.522 1.699 581 HH11 ARG 70 1HH1 ARG 70 -9.423 3.406 2.143 582 HH12 ARG 70 2HH1 ARG 70 -8.754 4.223 3.522 583 HH21 ARG 70 1HH2 ARG 70 -8.913 1.398 5.606 584 HH22 ARG 70 2HH2 ARG 70 -8.509 3.090 5.508 585 H SER 71 H SER 71 -10.639 -2.699 -0.856 586 HA SER 71 HA SER 71 -12.204 -4.323 0.948 587 HG SER 71 HG SER 71 -12.865 -1.663 -0.628 588 HB2 SER 71 2HB SER 71 -12.755 -3.440 -1.892 589 HB3 SER 71 1HB SER 71 -13.907 -4.277 -0.848 590 H ALA 72 H ALA 72 -10.161 -4.783 -1.838 591 HA ALA 72 HA ALA 72 -11.038 -7.491 -2.304 592 HB1 ALA 72 3HB ALA 72 -9.308 -7.557 -4.002 593 HB2 ALA 72 1HB ALA 72 -8.629 -6.044 -3.401 594 HB3 ALA 72 2HB ALA 72 -10.234 -6.061 -4.134 595 H VAL 73 H VAL 73 -8.459 -5.899 -0.558 596 HA VAL 73 HA VAL 73 -7.210 -8.483 0.015 597 HB VAL 73 HB VAL 73 -6.201 -5.708 0.656 598 HG11 VAL 73 1HG1 VAL 73 -4.839 -8.393 0.852 599 HG12 VAL 73 2HG1 VAL 73 -5.330 -7.365 2.200 600 HG13 VAL 73 3HG1 VAL 73 -4.060 -6.830 1.099 601 HG21 VAL 73 3HG2 VAL 73 -4.594 -6.090 -1.166 602 HG22 VAL 73 1HG2 VAL 73 -6.262 -6.064 -1.741 603 HG23 VAL 73 2HG2 VAL 73 -5.417 -7.600 -1.557 604 H ALA 74 H ALA 74 -8.046 -5.534 1.862 605 HA ALA 74 HA ALA 74 -7.665 -6.911 4.337 606 HB1 ALA 74 3HB ALA 74 -7.157 -4.519 4.055 607 HB2 ALA 74 1HB ALA 74 -8.262 -4.825 5.395 608 HB3 ALA 74 2HB ALA 74 -8.880 -4.194 3.867 609 H ALA 75 H ALA 75 -10.474 -5.904 2.459 610 HA ALA 75 HA ALA 75 -12.277 -6.775 4.577 611 HB1 ALA 75 3HB ALA 75 -12.713 -4.687 3.311 612 HB2 ALA 75 1HB ALA 75 -14.048 -5.838 3.267 613 HB3 ALA 75 2HB ALA 75 -12.987 -5.666 1.870 614 H HIS 76 H HIS 76 -10.550 -8.424 2.499 615 HA HIS 76 HA HIS 76 -12.492 -10.098 1.237 616 HD1 HIS 76 HD1 HIS 76 -8.492 -12.547 0.619 617 HD2 HIS 76 HD2 HIS 76 -12.576 -12.240 -0.075 618 HE1 HIS 76 HE1 HIS 76 -9.164 -14.726 -0.433 619 HE2 HIS 76 HE2 HIS 76 -11.676 -14.616 -0.565 620 HB2 HIS 76 2HB HIS 76 -10.252 -9.848 0.280 621 HB3 HIS 76 1HB HIS 76 -9.536 -10.534 1.734 622 H GLY 77 H GLY 77 -13.813 -11.272 2.415 623 HA2 GLY 77 2HA GLY 77 -12.769 -13.294 4.177 624 HA3 GLY 77 1HA GLY 77 -13.686 -12.045 5.013 625 H GLU 78 H GLU 78 -13.842 -14.420 2.413 626 HA GLU 78 HA GLU 78 -16.699 -14.160 2.129 627 HB2 GLU 78 2HB GLU 78 -16.508 -15.992 0.520 628 HB3 GLU 78 1HB GLU 78 -15.320 -14.743 0.192 629 HG2 GLU 78 2HG GLU 78 -14.571 -17.114 1.840 630 HG3 GLU 78 1HG GLU 78 -14.648 -17.248 0.088 631 H LYS 79 H LYS 79 -14.718 -15.676 4.320 632 HA LYS 79 HA LYS 79 -16.130 -18.083 4.813 633 HB2 LYS 79 2HB LYS 79 -14.570 -16.476 6.844 634 HB3 LYS 79 1HB LYS 79 -14.887 -18.205 6.865 635 HG2 LYS 79 2HG LYS 79 -13.172 -16.765 4.854 636 HG3 LYS 79 1HG LYS 79 -12.584 -17.692 6.234 637 HD2 LYS 79 2HD LYS 79 -13.653 -19.705 5.315 638 HD3 LYS 79 1HD LYS 79 -14.195 -18.767 3.921 639 HE2 LYS 79 2HE LYS 79 -11.906 -18.326 3.281 640 HE3 LYS 79 1HE LYS 79 -11.316 -19.147 4.727 641 HZ1 LYS 79 3HZ LYS 79 -12.807 -20.399 2.481 642 HZ2 LYS 79 1HZ LYS 79 -12.329 -21.194 3.902 643 HZ3 LYS 79 2HZ LYS 79 -11.156 -20.595 2.838 644 H ALA 80 H ALA 80 -15.916 -15.321 6.996 645 HA ALA 80 HA ALA 80 -18.644 -14.697 7.137 646 HB1 ALA 80 3HB ALA 80 -17.672 -16.424 9.422 647 HB2 ALA 80 1HB ALA 80 -18.862 -16.899 8.210 648 HB3 ALA 80 2HB ALA 80 -19.223 -15.592 9.336 649 H LEU 81 H LEU 81 -17.516 -12.710 6.938 650 HA LEU 81 HA LEU 81 -16.342 -11.765 9.457 651 HG LEU 81 HG LEU 81 -13.953 -12.184 9.190 652 HB2 LEU 81 2HB LEU 81 -15.344 -11.346 6.652 653 HB3 LEU 81 1HB LEU 81 -14.958 -10.211 7.926 654 HD11 LEU 81 1HD1 LEU 81 -13.236 -14.090 7.876 655 HD12 LEU 81 2HD1 LEU 81 -14.083 -13.455 6.463 656 HD13 LEU 81 3HD1 LEU 81 -14.996 -13.967 7.884 657 HD21 LEU 81 3HD2 LEU 81 -11.850 -12.044 7.936 658 HD22 LEU 81 1HD2 LEU 81 -12.604 -10.464 8.142 659 HD23 LEU 81 2HD2 LEU 81 -12.711 -11.295 6.590 660 H LYS 82 H LYS 82 -17.997 -10.587 10.207 661 HA LYS 82 HA LYS 82 -19.467 -8.730 8.582 662 HB2 LYS 82 2HB LYS 82 -20.308 -9.810 10.714 663 HB3 LYS 82 1HB LYS 82 -19.210 -8.760 11.598 664 HG2 LYS 82 2HG LYS 82 -20.378 -6.800 10.760 665 HG3 LYS 82 1HG LYS 82 -21.456 -7.834 9.816 666 HD2 LYS 82 2HD LYS 82 -22.210 -8.896 11.919 667 HD3 LYS 82 1HD LYS 82 -21.200 -7.764 12.820 668 HE2 LYS 82 2HE LYS 82 -23.504 -6.999 12.783 669 HE3 LYS 82 1HE LYS 82 -22.474 -5.892 11.877 670 HZ1 LYS 82 3HZ LYS 82 -23.262 -6.785 9.831 671 HZ2 LYS 82 1HZ LYS 82 -24.616 -6.422 10.784 672 HZ3 LYS 82 2HZ LYS 82 -24.106 -8.032 10.620 673 H VAL 83 H VAL 83 -19.356 -6.369 8.897 674 HA VAL 83 HA VAL 83 -16.938 -5.289 8.308 675 HB VAL 83 HB VAL 83 -18.977 -4.038 8.005 676 HG11 VAL 83 1HG1 VAL 83 -20.133 -2.940 9.872 677 HG12 VAL 83 2HG1 VAL 83 -19.071 -3.775 11.006 678 HG13 VAL 83 3HG1 VAL 83 -20.186 -4.698 10.001 679 HG21 VAL 83 3HG2 VAL 83 -16.941 -2.741 8.069 680 HG22 VAL 83 1HG2 VAL 83 -17.049 -2.600 9.825 681 HG23 VAL 83 2HG2 VAL 83 -18.256 -1.822 8.802 682 H THR 84 H THR 84 -18.258 -5.608 11.572 683 HA THR 84 HA THR 84 -16.207 -4.261 12.942 684 HB THR 84 HB THR 84 -17.855 -6.550 13.993 685 HG1 THR 84 HG1 THR 84 -18.565 -3.788 13.711 686 HG21 THR 84 3HG2 THR 84 -16.736 -4.078 15.333 687 HG22 THR 84 1HG2 THR 84 -16.111 -5.719 15.504 688 HG23 THR 84 2HG2 THR 84 -17.714 -5.317 16.118 689 H MET 85 H MET 85 -16.669 -7.635 12.070 690 HA MET 85 HA MET 85 -14.551 -8.763 13.508 691 HB2 MET 85 2HB MET 85 -15.829 -9.632 10.908 692 HB3 MET 85 1HB MET 85 -14.726 -10.627 11.847 693 HG2 MET 85 2HG MET 85 -16.274 -10.687 13.687 694 HG3 MET 85 1HG MET 85 -17.353 -9.561 12.864 695 HE1 MET 85 3HE MET 85 -18.320 -12.370 14.066 696 HE2 MET 85 1HE MET 85 -19.378 -12.915 12.763 697 HE3 MET 85 2HE MET 85 -19.384 -11.221 13.256 698 H ILE 86 H ILE 86 -14.708 -7.389 10.259 699 HA ILE 86 HA ILE 86 -12.166 -8.196 9.373 700 HB ILE 86 HB ILE 86 -13.790 -5.782 8.560 701 HG12 ILE 86 2HG1 ILE 86 -13.604 -7.828 6.569 702 HG13 ILE 86 1HG1 ILE 86 -14.122 -8.561 8.085 703 HG21 ILE 86 1HG2 ILE 86 -11.476 -5.410 7.970 704 HG22 ILE 86 2HG2 ILE 86 -12.409 -5.769 6.516 705 HG23 ILE 86 3HG2 ILE 86 -11.378 -7.008 7.231 706 HD11 ILE 86 3HD1 ILE 86 -15.965 -7.003 8.241 707 HD12 ILE 86 1HD1 ILE 86 -16.006 -7.869 6.701 708 HD13 ILE 86 2HD1 ILE 86 -15.432 -6.202 6.758 709 H GLN 87 H GLN 87 -13.218 -5.232 11.006 710 HA GLN 87 HA GLN 87 -10.768 -3.881 10.948 711 HB2 GLN 87 2HB GLN 87 -12.847 -2.764 11.550 712 HB3 GLN 87 1HB GLN 87 -12.986 -3.750 12.998 713 HG2 GLN 87 2HG GLN 87 -11.048 -2.710 13.959 714 HG3 GLN 87 1HG GLN 87 -10.733 -1.827 12.467 715 HE21 GLN 87 1HE2 GLN 87 -11.218 -0.878 15.209 716 HE22 GLN 87 2HE2 GLN 87 -12.553 0.220 15.085 717 H LYS 88 H LYS 88 -11.977 -6.396 13.064 718 HA LYS 88 HA LYS 88 -9.913 -6.054 15.029 719 HB2 LYS 88 2HB LYS 88 -11.894 -8.293 14.604 720 HB3 LYS 88 1HB LYS 88 -10.821 -8.151 15.992 721 HG2 LYS 88 2HG LYS 88 -11.884 -6.012 16.569 722 HG3 LYS 88 1HG LYS 88 -12.989 -6.217 15.208 723 HD2 LYS 88 2HD LYS 88 -13.844 -8.279 16.206 724 HD3 LYS 88 1HD LYS 88 -12.725 -8.090 17.559 725 HE2 LYS 88 2HE LYS 88 -14.941 -6.188 16.808 726 HE3 LYS 88 1HE LYS 88 -14.962 -7.326 18.155 727 HZ1 LYS 88 3HZ LYS 88 -13.027 -6.143 19.082 728 HZ2 LYS 88 1HZ LYS 88 -14.396 -5.146 18.945 729 HZ3 LYS 88 2HZ LYS 88 -13.131 -5.006 17.826 730 H TYR 89 H TYR 89 -9.965 -7.467 11.974 731 HA TYR 89 HA TYR 89 -7.738 -9.260 12.671 732 HD1 TYR 89 HD2 TYR 89 -8.523 -11.292 13.090 733 HD2 TYR 89 HD1 TYR 89 -11.404 -10.260 10.134 734 HE1 TYR 89 HE2 TYR 89 -10.126 -12.844 14.122 735 HE2 TYR 89 HE1 TYR 89 -13.015 -11.808 11.157 736 HH TYR 89 HH TYR 89 -12.491 -13.231 14.249 737 HB2 TYR 89 2HB TYR 89 -9.389 -9.154 10.140 738 HB3 TYR 89 1HB TYR 89 -8.077 -10.283 10.451 739 H ARG 90 H ARG 90 -8.413 -6.233 11.343 740 HA ARG 90 HA ARG 90 -5.872 -6.228 9.855 741 HE ARG 90 HE ARG 90 -8.739 -7.587 6.404 742 HB2 ARG 90 2HB ARG 90 -8.149 -4.256 9.622 743 HB3 ARG 90 1HB ARG 90 -6.711 -4.323 8.612 744 HG2 ARG 90 2HG ARG 90 -8.951 -6.327 8.738 745 HG3 ARG 90 1HG ARG 90 -8.516 -5.279 7.388 746 HD2 ARG 90 2HD ARG 90 -6.405 -6.460 7.124 747 HD3 ARG 90 1HD ARG 90 -6.776 -7.471 8.521 748 HH11 ARG 90 1HH1 ARG 90 -5.832 -8.983 7.760 749 HH12 ARG 90 2HH1 ARG 90 -5.962 -10.464 6.865 750 HH21 ARG 90 1HH2 ARG 90 -8.940 -9.551 5.247 751 HH22 ARG 90 2HH2 ARG 90 -7.744 -10.792 5.450 752 H GLN 91 H GLN 91 -7.802 -4.431 12.192 753 HA GLN 91 HA GLN 91 -5.444 -2.847 12.948 754 HB2 GLN 91 2HB GLN 91 -8.369 -2.537 13.684 755 HB3 GLN 91 1HB GLN 91 -7.074 -1.498 14.257 756 HG2 GLN 91 2HG GLN 91 -7.797 -1.844 11.355 757 HG3 GLN 91 1HG GLN 91 -8.402 -0.548 12.385 758 HE21 GLN 91 1HE2 GLN 91 -5.624 -1.865 10.773 759 HE22 GLN 91 2HE2 GLN 91 -4.630 -0.453 10.896 760 H LEU 92 H LEU 92 -5.852 -5.685 13.501 761 HA LEU 92 HA LEU 92 -6.851 -6.306 15.983 762 HG LEU 92 HG LEU 92 -3.322 -7.331 15.205 763 HB2 LEU 92 2HB LEU 92 -5.552 -8.321 15.916 764 HB3 LEU 92 1HB LEU 92 -6.135 -7.967 14.306 765 HD11 LEU 92 1HD1 LEU 92 -4.348 -9.778 13.777 766 HD12 LEU 92 2HD1 LEU 92 -3.673 -9.721 15.406 767 HD13 LEU 92 3HD1 LEU 92 -2.650 -9.366 14.015 768 HD21 LEU 92 3HD2 LEU 92 -2.864 -7.270 12.802 769 HD22 LEU 92 1HD2 LEU 92 -4.091 -6.086 13.250 770 HD23 LEU 92 2HD2 LEU 92 -4.564 -7.594 12.467 771 H HIS 93 H HIS 93 -3.511 -5.363 15.214 772 HA HIS 93 HA HIS 93 -1.702 -4.941 16.536 773 HD1 HIS 93 HD1 HIS 93 -2.893 -2.291 20.089 774 HD2 HIS 93 HD2 HIS 93 0.078 -3.071 17.284 775 HE1 HIS 93 HE1 HIS 93 -0.739 -1.514 21.139 776 HE2 HIS 93 HE2 HIS 93 1.057 -2.233 19.526 777 HB2 HIS 93 2HB HIS 93 -2.951 -2.815 16.649 778 HB3 HIS 93 1HB HIS 93 -3.798 -3.390 18.080 779 H HIS 94 H HIS 94 -1.692 -7.240 17.155 780 HA HIS 94 HA HIS 94 -2.487 -7.662 19.954 781 HD1 HIS 94 HD1 HIS 94 -3.612 -9.608 21.258 782 HD2 HIS 94 HD2 HIS 94 -1.589 -12.094 18.601 783 HE1 HIS 94 HE1 HIS 94 -3.236 -11.768 22.491 784 HE2 HIS 94 HE2 HIS 94 -2.086 -13.286 20.845 785 HB2 HIS 94 2HB HIS 94 -3.740 -9.090 18.443 786 HB3 HIS 94 1HB HIS 94 -2.254 -9.650 17.684 787 H HIS 95 H HIS 95 -0.972 -8.142 21.395 788 HA HIS 95 HA HIS 95 1.747 -8.670 20.430 789 HD1 HIS 95 HD1 HIS 95 3.912 -6.496 21.883 790 HD2 HIS 95 HD2 HIS 95 2.809 -9.755 24.223 791 HE1 HIS 95 HE1 HIS 95 6.029 -7.287 22.986 792 HE2 HIS 95 HE2 HIS 95 5.314 -9.160 24.517 793 HB2 HIS 95 2HB HIS 95 1.424 -6.787 22.026 794 HB3 HIS 95 1HB HIS 95 0.803 -7.929 23.213 Start of MODEL 9 1 HA MET 1 HA MET 1 13.876 10.247 7.567 2 H1 MET 1 1H MET 1 12.149 8.659 7.368 3 H2 MET 1 2H MET 1 11.604 10.097 6.656 4 H3 MET 1 3H MET 1 11.046 9.648 8.195 5 HB2 MET 1 2HB MET 1 12.471 12.253 7.293 6 HB3 MET 1 1HB MET 1 11.778 11.988 8.885 7 HG2 MET 1 2HG MET 1 13.986 12.315 9.894 8 HG3 MET 1 1HG MET 1 14.662 12.615 8.295 9 HE1 MET 1 3HE MET 1 14.949 14.623 10.798 10 HE2 MET 1 1HE MET 1 14.727 16.154 9.953 11 HE3 MET 1 2HE MET 1 15.677 14.868 9.208 12 H TYR 2 H TYR 2 15.256 9.902 9.265 13 HA TYR 2 HA TYR 2 14.080 8.715 11.663 14 HD1 TYR 2 HD2 TYR 2 14.609 6.255 11.959 15 HD2 TYR 2 HD1 TYR 2 17.130 7.612 8.812 16 HE1 TYR 2 HE2 TYR 2 14.171 4.179 10.723 17 HE2 TYR 2 HE1 TYR 2 16.695 5.534 7.566 18 HH TYR 2 HH TYR 2 15.986 3.180 8.089 19 HB2 TYR 2 2HB TYR 2 16.956 8.893 10.758 20 HB3 TYR 2 1HB TYR 2 16.413 8.116 12.247 21 H LEU 3 H LEU 3 13.295 10.301 12.814 22 HA LEU 3 HA LEU 3 15.149 12.226 13.997 23 HG LEU 3 HG LEU 3 13.196 14.370 14.798 24 HB2 LEU 3 2HB LEU 3 13.974 13.318 12.079 25 HB3 LEU 3 1HB LEU 3 12.442 12.950 12.847 26 HD11 LEU 3 1HD1 LEU 3 15.592 14.336 14.344 27 HD12 LEU 3 2HD1 LEU 3 14.972 15.988 14.383 28 HD13 LEU 3 3HD1 LEU 3 15.323 15.213 12.837 29 HD21 LEU 3 3HD2 LEU 3 12.682 16.479 13.657 30 HD22 LEU 3 1HD2 LEU 3 11.600 15.176 13.159 31 HD23 LEU 3 2HD2 LEU 3 12.916 15.681 12.100 32 H LYS 4 H LYS 4 14.495 12.863 16.115 33 HA LYS 4 HA LYS 4 13.040 10.988 17.588 34 HB2 LYS 4 2HB LYS 4 13.151 12.492 19.457 35 HB3 LYS 4 1HB LYS 4 14.673 12.555 18.587 36 HG2 LYS 4 2HG LYS 4 13.992 14.672 17.557 37 HG3 LYS 4 1HG LYS 4 12.468 14.607 18.453 38 HD2 LYS 4 2HD LYS 4 13.776 14.553 20.564 39 HD3 LYS 4 1HD LYS 4 15.249 14.764 19.617 40 HE2 LYS 4 2HE LYS 4 14.374 16.905 18.774 41 HE3 LYS 4 1HE LYS 4 12.933 16.691 19.766 42 HZ1 LYS 4 3HZ LYS 4 15.722 17.083 20.699 43 HZ2 LYS 4 1HZ LYS 4 14.463 16.600 21.723 44 HZ3 LYS 4 2HZ LYS 4 14.391 18.104 20.945 45 H ARG 5 H ARG 5 11.966 13.778 15.819 46 HA ARG 5 HA ARG 5 9.199 13.198 16.603 47 HE ARG 5 HE ARG 5 9.171 17.545 16.662 48 HB2 ARG 5 2HB ARG 5 9.897 15.584 16.534 49 HB3 ARG 5 1HB ARG 5 10.260 15.410 14.822 50 HG2 ARG 5 2HG ARG 5 7.900 14.858 14.404 51 HG3 ARG 5 1HG ARG 5 7.560 15.109 16.116 52 HD2 ARG 5 2HD ARG 5 8.664 17.185 14.228 53 HD3 ARG 5 1HD ARG 5 6.982 17.066 14.738 54 HH11 ARG 5 1HH1 ARG 5 6.032 18.340 15.309 55 HH12 ARG 5 2HH1 ARG 5 5.713 19.598 16.469 56 HH21 ARG 5 1HH2 ARG 5 8.762 19.196 18.181 57 HH22 ARG 5 2HH2 ARG 5 7.266 20.082 18.114 58 H VAL 6 H VAL 6 8.710 11.342 15.568 59 HA VAL 6 HA VAL 6 9.966 10.655 13.085 60 HB VAL 6 HB VAL 6 9.540 9.014 14.902 61 HG11 VAL 6 1HG1 VAL 6 6.665 9.220 14.029 62 HG12 VAL 6 2HG1 VAL 6 7.324 9.752 15.575 63 HG13 VAL 6 3HG1 VAL 6 7.320 8.037 15.160 64 HG21 VAL 6 3HG2 VAL 6 8.938 7.167 13.452 65 HG22 VAL 6 1HG2 VAL 6 9.993 8.295 12.600 66 HG23 VAL 6 2HG2 VAL 6 8.261 8.288 12.270 67 H ASP 7 H ASP 7 9.088 10.404 11.066 68 HA ASP 7 HA ASP 7 6.507 11.706 10.616 69 HB2 ASP 7 2HB ASP 7 7.152 11.978 8.346 70 HB3 ASP 7 1HB ASP 7 8.593 12.331 9.289 71 H GLY 8 H GLY 8 7.910 8.638 10.821 72 HA2 GLY 8 2HA GLY 8 5.642 7.142 10.814 73 HA3 GLY 8 1HA GLY 8 6.076 7.233 9.112 74 HA PRO 9 HA PRO 9 8.707 4.090 11.774 75 HB2 PRO 9 2HB PRO 9 6.711 2.084 10.901 76 HB3 PRO 9 1HB PRO 9 7.501 2.271 12.469 77 HG2 PRO 9 2HG PRO 9 4.928 2.913 12.127 78 HG3 PRO 9 1HG PRO 9 5.982 3.857 13.195 79 HD2 PRO 9 2HD PRO 9 5.027 4.486 10.432 80 HD3 PRO 9 1HD PRO 9 5.244 5.566 11.825 81 H ARG 10 H ARG 10 10.219 2.792 10.696 82 HA ARG 10 HA ARG 10 10.284 3.179 7.860 83 HE ARG 10 HE ARG 10 13.453 -1.166 10.477 84 HB2 ARG 10 2HB ARG 10 12.442 2.257 7.871 85 HB3 ARG 10 1HB ARG 10 12.310 3.057 9.433 86 HG2 ARG 10 2HG ARG 10 12.102 1.041 10.582 87 HG3 ARG 10 1HG ARG 10 11.699 0.146 9.117 88 HD2 ARG 10 2HD ARG 10 14.035 0.678 8.302 89 HD3 ARG 10 1HD ARG 10 14.377 1.259 9.935 90 HH11 ARG 10 1HH1 ARG 10 15.817 -0.134 8.087 91 HH12 ARG 10 2HH1 ARG 10 16.591 -1.688 8.012 92 HH21 ARG 10 1HH2 ARG 10 14.484 -3.196 10.362 93 HH22 ARG 10 2HH2 ARG 10 15.842 -3.417 9.308 94 H GLN 11 H GLN 11 9.251 0.588 9.949 95 HA GLN 11 HA GLN 11 8.236 -0.848 7.655 96 HB2 GLN 11 2HB GLN 11 9.311 -2.963 8.170 97 HB3 GLN 11 1HB GLN 11 10.523 -1.731 7.848 98 HG2 GLN 11 2HG GLN 11 10.902 -1.468 10.243 99 HG3 GLN 11 1HG GLN 11 9.673 -2.690 10.572 100 HE21 GLN 11 1HE2 GLN 11 11.085 -4.060 11.601 101 HE22 GLN 11 2HE2 GLN 11 12.329 -4.934 10.773 102 H VAL 12 H VAL 12 6.532 -2.130 8.079 103 HA VAL 12 HA VAL 12 5.688 -2.374 10.890 104 HB VAL 12 HB VAL 12 3.353 -2.501 10.029 105 HG11 VAL 12 1HG1 VAL 12 4.253 -0.409 10.923 106 HG12 VAL 12 2HG1 VAL 12 3.088 -0.115 9.632 107 HG13 VAL 12 3HG1 VAL 12 4.816 0.037 9.312 108 HG21 VAL 12 3HG2 VAL 12 4.615 -1.669 7.419 109 HG22 VAL 12 1HG2 VAL 12 2.884 -1.692 7.756 110 HG23 VAL 12 2HG2 VAL 12 3.800 -3.198 7.749 111 H THR 13 H THR 13 4.437 -4.313 11.383 112 HA THR 13 HA THR 13 5.541 -6.590 9.905 113 HB THR 13 HB THR 13 4.196 -6.635 12.612 114 HG1 THR 13 HG1 THR 13 6.417 -5.398 12.045 115 HG21 THR 13 3HG2 THR 13 5.447 -8.719 12.901 116 HG22 THR 13 1HG2 THR 13 6.132 -8.542 11.287 117 HG23 THR 13 2HG2 THR 13 4.400 -8.808 11.484 118 H LEU 14 H LEU 14 4.267 -8.137 8.989 119 HA LEU 14 HA LEU 14 1.416 -7.534 8.760 120 HG LEU 14 HG LEU 14 2.448 -8.292 5.246 121 HB2 LEU 14 2HB LEU 14 3.241 -9.438 7.291 122 HB3 LEU 14 1HB LEU 14 1.504 -9.468 7.090 123 HD11 LEU 14 1HD1 LEU 14 0.367 -7.404 6.099 124 HD12 LEU 14 2HD1 LEU 14 1.375 -6.120 5.428 125 HD13 LEU 14 3HD1 LEU 14 1.253 -6.326 7.176 126 HD21 LEU 14 3HD2 LEU 14 4.593 -7.688 6.197 127 HD22 LEU 14 1HD2 LEU 14 3.812 -6.512 7.254 128 HD23 LEU 14 2HD2 LEU 14 3.797 -6.275 5.507 129 HA PRO 15 HA PRO 15 0.222 -10.827 11.548 130 HB2 PRO 15 2HB PRO 15 -2.067 -11.288 9.739 131 HB3 PRO 15 1HB PRO 15 -2.065 -10.830 11.442 132 HG2 PRO 15 2HG PRO 15 -2.754 -9.087 9.522 133 HG3 PRO 15 1HG PRO 15 -1.872 -8.574 10.973 134 HD2 PRO 15 2HD PRO 15 -0.847 -9.060 8.201 135 HD3 PRO 15 1HD PRO 15 -0.418 -7.776 9.351 136 H ASP 16 H ASP 16 0.640 -11.111 8.167 137 HA ASP 16 HA ASP 16 0.480 -13.962 7.960 138 HB2 ASP 16 2HB ASP 16 1.879 -12.035 6.095 139 HB3 ASP 16 1HB ASP 16 1.294 -13.647 5.711 140 H GLY 17 H GLY 17 2.728 -11.854 9.285 141 HA2 GLY 17 2HA GLY 17 4.721 -12.504 10.351 142 HA3 GLY 17 1HA GLY 17 4.785 -13.931 9.329 143 H THR 18 H THR 18 4.033 -11.511 7.317 144 HA THR 18 HA THR 18 6.692 -11.328 6.237 145 HB THR 18 HB THR 18 4.208 -9.872 5.322 146 HG1 THR 18 HG1 THR 18 5.100 -12.534 4.830 147 HG21 THR 18 3HG2 THR 18 6.679 -10.772 3.841 148 HG22 THR 18 1HG2 THR 18 6.254 -9.108 4.247 149 HG23 THR 18 2HG2 THR 18 5.266 -10.018 3.103 150 H VAL 19 H VAL 19 7.624 -9.175 5.651 151 HA VAL 19 HA VAL 19 7.017 -7.139 7.699 152 HB VAL 19 HB VAL 19 9.719 -7.773 6.486 153 HG11 VAL 19 1HG1 VAL 19 10.594 -6.106 8.064 154 HG12 VAL 19 2HG1 VAL 19 8.946 -5.719 8.559 155 HG13 VAL 19 3HG1 VAL 19 9.473 -5.386 6.907 156 HG21 VAL 19 3HG2 VAL 19 9.031 -9.440 8.124 157 HG22 VAL 19 1HG2 VAL 19 8.692 -8.165 9.296 158 HG23 VAL 19 2HG2 VAL 19 10.347 -8.452 8.758 159 H LEU 20 H LEU 20 6.352 -5.264 6.907 160 HA LEU 20 HA LEU 20 6.867 -4.692 4.063 161 HG LEU 20 HG LEU 20 4.948 -2.096 4.283 162 HB2 LEU 20 2HB LEU 20 4.533 -5.077 4.449 163 HB3 LEU 20 1HB LEU 20 4.517 -3.991 5.824 164 HD11 LEU 20 1HD1 LEU 20 4.685 -2.421 1.888 165 HD12 LEU 20 2HD1 LEU 20 4.522 -4.159 2.125 166 HD13 LEU 20 3HD1 LEU 20 6.053 -3.360 2.490 167 HD21 LEU 20 3HD2 LEU 20 2.536 -3.792 3.648 168 HD22 LEU 20 1HD2 LEU 20 2.695 -2.064 3.326 169 HD23 LEU 20 2HD2 LEU 20 2.687 -2.656 4.987 170 H SER 21 H SER 21 8.409 -3.209 3.879 171 HA SER 21 HA SER 21 8.584 -1.130 5.941 172 HG SER 21 HG SER 21 10.570 -3.387 3.899 173 HB2 SER 21 2HB SER 21 10.965 -0.890 5.167 174 HB3 SER 21 1HB SER 21 10.588 -2.452 5.890 175 H ARG 22 H ARG 22 9.459 0.974 5.174 176 HA ARG 22 HA ARG 22 7.793 2.076 3.198 177 HE ARG 22 HE ARG 22 9.020 5.953 4.493 178 HB2 ARG 22 2HB ARG 22 10.330 3.167 4.425 179 HB3 ARG 22 1HB ARG 22 9.191 4.108 3.473 180 HG2 ARG 22 2HG ARG 22 7.481 3.827 5.117 181 HG3 ARG 22 1HG ARG 22 8.472 2.680 6.020 182 HD2 ARG 22 2HD ARG 22 8.534 4.812 7.129 183 HD3 ARG 22 1HD ARG 22 10.117 4.487 6.425 184 HH11 ARG 22 1HH1 ARG 22 9.044 6.460 7.974 185 HH12 ARG 22 2HH1 ARG 22 8.943 8.191 7.847 186 HH21 ARG 22 1HH2 ARG 22 8.877 8.216 4.334 187 HH22 ARG 22 2HH2 ARG 22 8.811 9.187 5.779 188 H ALA 23 H ALA 23 10.819 0.483 2.956 189 HA ALA 23 HA ALA 23 11.276 1.501 0.244 190 HB1 ALA 23 3HB ALA 23 13.062 -0.220 1.963 191 HB2 ALA 23 1HB ALA 23 13.191 1.531 1.785 192 HB3 ALA 23 2HB ALA 23 13.477 0.480 0.398 193 H ASP 24 H ASP 24 9.598 -0.922 1.700 194 HA ASP 24 HA ASP 24 10.243 -2.957 -0.303 195 HB2 ASP 24 2HB ASP 24 10.063 -3.597 2.115 196 HB3 ASP 24 1HB ASP 24 8.354 -3.182 2.047 197 H LEU 25 H LEU 25 7.980 -0.512 0.398 198 HA LEU 25 HA LEU 25 5.653 -1.336 -0.805 199 HG LEU 25 HG LEU 25 6.021 0.553 1.352 200 HB2 LEU 25 2HB LEU 25 7.033 1.339 -0.805 201 HB3 LEU 25 1HB LEU 25 5.471 1.106 -1.568 202 HD11 LEU 25 1HD1 LEU 25 4.818 2.629 1.790 203 HD12 LEU 25 2HD1 LEU 25 4.710 2.941 0.060 204 HD13 LEU 25 3HD1 LEU 25 6.283 2.929 0.856 205 HD21 LEU 25 3HD2 LEU 25 3.593 0.474 1.535 206 HD22 LEU 25 1HD2 LEU 25 4.166 -0.726 0.379 207 HD23 LEU 25 2HD2 LEU 25 3.438 0.772 -0.196 208 HA PRO 26 HA PRO 26 6.587 -2.434 -4.935 209 HB2 PRO 26 2HB PRO 26 4.227 -1.594 -6.127 210 HB3 PRO 26 1HB PRO 26 4.454 -3.140 -5.305 211 HG2 PRO 26 2HG PRO 26 3.218 -0.618 -4.297 212 HG3 PRO 26 1HG PRO 26 2.744 -2.304 -4.010 213 HD2 PRO 26 2HD PRO 26 4.057 -0.866 -2.161 214 HD3 PRO 26 1HD PRO 26 4.345 -2.606 -2.373 215 HA PRO 27 HA PRO 27 8.261 1.158 -6.820 216 HB2 PRO 27 2HB PRO 27 8.497 0.270 -9.392 217 HB3 PRO 27 1HB PRO 27 9.590 -0.204 -8.087 218 HG2 PRO 27 2HG PRO 27 7.244 -1.673 -9.226 219 HG3 PRO 27 1HG PRO 27 8.840 -2.296 -8.766 220 HD2 PRO 27 2HD PRO 27 6.677 -2.593 -7.186 221 HD3 PRO 27 1HD PRO 27 8.306 -2.356 -6.518 222 H LEU 28 H LEU 28 7.766 2.892 -8.164 223 HA LEU 28 HA LEU 28 4.989 3.379 -8.570 224 HG LEU 28 HG LEU 28 7.557 4.718 -7.179 225 HB2 LEU 28 2HB LEU 28 7.320 4.970 -9.650 226 HB3 LEU 28 1HB LEU 28 5.681 5.539 -9.402 227 HD11 LEU 28 1HD1 LEU 28 8.356 6.724 -8.307 228 HD12 LEU 28 2HD1 LEU 28 7.720 7.111 -6.707 229 HD13 LEU 28 3HD1 LEU 28 6.762 7.461 -8.146 230 HD21 LEU 28 3HD2 LEU 28 4.873 6.092 -7.127 231 HD22 LEU 28 1HD2 LEU 28 5.900 5.780 -5.727 232 HD23 LEU 28 2HD2 LEU 28 5.197 4.433 -6.625 233 H ASP 29 H ASP 29 7.422 1.938 -10.420 234 HA ASP 29 HA ASP 29 6.592 2.537 -13.052 235 HB2 ASP 29 2HB ASP 29 8.010 0.054 -12.063 236 HB3 ASP 29 1HB ASP 29 7.969 0.635 -13.723 237 H THR 30 H THR 30 5.351 0.447 -10.635 238 HA THR 30 HA THR 30 4.088 -1.391 -12.453 239 HB THR 30 HB THR 30 3.647 -1.000 -9.486 240 HG1 THR 30 HG1 THR 30 5.743 -1.936 -10.769 241 HG21 THR 30 3HG2 THR 30 2.934 -3.312 -11.295 242 HG22 THR 30 1HG2 THR 30 1.791 -2.162 -10.597 243 HG23 THR 30 2HG2 THR 30 2.700 -3.251 -9.548 244 H ARG 31 H ARG 31 2.585 -0.538 -13.737 245 HA ARG 31 HA ARG 31 0.401 0.892 -12.423 246 HE ARG 31 HE ARG 31 -2.650 3.332 -13.759 247 HB2 ARG 31 2HB ARG 31 1.524 1.821 -14.543 248 HB3 ARG 31 1HB ARG 31 0.663 0.545 -15.399 249 HG2 ARG 31 2HG ARG 31 -0.615 2.572 -15.503 250 HG3 ARG 31 1HG ARG 31 -1.454 1.406 -14.479 251 HD2 ARG 31 2HD ARG 31 -0.221 2.550 -12.533 252 HD3 ARG 31 1HD ARG 31 0.071 3.856 -13.674 253 HH11 ARG 31 1HH1 ARG 31 -0.302 4.317 -11.353 254 HH12 ARG 31 2HH1 ARG 31 -1.420 5.308 -10.470 255 HH21 ARG 31 1HH2 ARG 31 -4.153 4.586 -12.573 256 HH22 ARG 31 2HH2 ARG 31 -3.633 5.446 -11.160 257 H ARG 32 H ARG 32 1.157 -1.951 -14.373 258 HA ARG 32 HA ARG 32 -1.522 -2.961 -14.134 259 HE ARG 32 HE ARG 32 3.775 -5.512 -15.406 260 HB2 ARG 32 2HB ARG 32 -0.588 -5.091 -15.008 261 HB3 ARG 32 1HB ARG 32 -0.247 -3.713 -16.041 262 HG2 ARG 32 2HG ARG 32 2.023 -3.633 -15.286 263 HG3 ARG 32 1HG ARG 32 1.708 -4.872 -14.069 264 HD2 ARG 32 2HD ARG 32 1.131 -6.446 -15.901 265 HD3 ARG 32 1HD ARG 32 1.602 -5.206 -17.062 266 HH11 ARG 32 1HH1 ARG 32 1.874 -7.630 -17.454 267 HH12 ARG 32 2HH1 ARG 32 3.219 -8.661 -17.846 268 HH21 ARG 32 1HH2 ARG 32 5.548 -6.846 -15.930 269 HH22 ARG 32 2HH2 ARG 32 5.313 -8.201 -16.996 270 H TRP 33 H TRP 33 -1.751 -2.597 -11.926 271 HA TRP 33 HA TRP 33 -0.069 -3.680 -9.943 272 HD1 TRP 33 HD1 TRP 33 -2.093 -0.319 -10.893 273 HE1 TRP 33 HE1 TRP 33 -0.668 1.580 -9.900 274 HE3 TRP 33 HE3 TRP 33 -0.133 -2.801 -6.889 275 HZ2 TRP 33 HZ2 TRP 33 1.051 1.966 -7.699 276 HZ3 TRP 33 HZ3 TRP 33 1.381 -1.598 -5.383 277 HH2 TRP 33 HH2 TRP 33 1.966 0.737 -5.782 278 HB2 TRP 33 2HB TRP 33 -2.895 -2.656 -9.901 279 HB3 TRP 33 1HB TRP 33 -2.091 -3.244 -8.448 280 H VAL 34 H VAL 34 0.206 -5.700 -9.357 281 HA VAL 34 HA VAL 34 -1.883 -7.667 -9.838 282 HB VAL 34 HB VAL 34 -0.258 -9.341 -9.127 283 HG11 VAL 34 1HG1 VAL 34 1.434 -9.008 -10.884 284 HG12 VAL 34 2HG1 VAL 34 0.898 -7.337 -11.061 285 HG13 VAL 34 3HG1 VAL 34 -0.198 -8.662 -11.448 286 HG21 VAL 34 3HG2 VAL 34 1.612 -7.030 -8.612 287 HG22 VAL 34 1HG2 VAL 34 2.023 -8.744 -8.515 288 HG23 VAL 34 2HG2 VAL 34 0.866 -8.049 -7.379 289 H ALA 35 H ALA 35 -2.458 -9.170 -8.048 290 HA ALA 35 HA ALA 35 -3.682 -7.754 -6.000 291 HB1 ALA 35 3HB ALA 35 -4.407 -9.963 -6.745 292 HB2 ALA 35 1HB ALA 35 -4.184 -9.913 -4.996 293 HB3 ALA 35 2HB ALA 35 -2.971 -10.685 -6.015 294 H SER 36 H SER 36 -0.595 -9.475 -5.960 295 HA SER 36 HA SER 36 -0.106 -9.388 -3.212 296 HG SER 36 HG SER 36 1.545 -11.725 -4.580 297 HB2 SER 36 2HB SER 36 1.977 -9.245 -5.397 298 HB3 SER 36 1HB SER 36 2.173 -9.903 -3.770 299 H ARG 37 H ARG 37 0.569 -7.014 -5.744 300 HA ARG 37 HA ARG 37 2.136 -5.378 -3.953 301 HE ARG 37 HE ARG 37 5.392 -6.702 -7.088 302 HB2 ARG 37 2HB ARG 37 1.249 -4.850 -6.793 303 HB3 ARG 37 1HB ARG 37 2.401 -3.878 -5.878 304 HG2 ARG 37 2HG ARG 37 3.729 -6.035 -5.603 305 HG3 ARG 37 1HG ARG 37 2.700 -6.688 -6.871 306 HD2 ARG 37 2HD ARG 37 3.472 -5.053 -8.432 307 HD3 ARG 37 1HD ARG 37 4.346 -4.184 -7.168 308 HH11 ARG 37 1HH1 ARG 37 5.051 -4.278 -9.607 309 HH12 ARG 37 2HH1 ARG 37 6.443 -4.832 -10.490 310 HH21 ARG 37 1HH2 ARG 37 7.241 -7.384 -8.229 311 HH22 ARG 37 2HH2 ARG 37 7.695 -6.577 -9.695 312 H LYS 38 H LYS 38 -1.110 -5.386 -5.273 313 HA LYS 38 HA LYS 38 -1.899 -2.855 -4.309 314 HB2 LYS 38 2HB LYS 38 -3.469 -5.379 -4.832 315 HB3 LYS 38 1HB LYS 38 -4.227 -3.899 -4.260 316 HG2 LYS 38 2HG LYS 38 -3.266 -2.749 -6.271 317 HG3 LYS 38 1HG LYS 38 -2.795 -4.343 -6.864 318 HD2 LYS 38 2HD LYS 38 -5.072 -5.063 -6.940 319 HD3 LYS 38 1HD LYS 38 -5.618 -3.612 -6.101 320 HE2 LYS 38 2HE LYS 38 -4.870 -2.252 -7.999 321 HE3 LYS 38 1HE LYS 38 -4.368 -3.714 -8.842 322 HZ1 LYS 38 3HZ LYS 38 -7.153 -3.225 -7.950 323 HZ2 LYS 38 1HZ LYS 38 -6.599 -4.443 -8.994 324 HZ3 LYS 38 2HZ LYS 38 -6.586 -2.817 -9.495 325 H ALA 39 H ALA 39 -1.881 -6.067 -2.861 326 HA ALA 39 HA ALA 39 -3.096 -5.414 -0.421 327 HB1 ALA 39 3HB ALA 39 -1.034 -7.544 -0.968 328 HB2 ALA 39 1HB ALA 39 -2.777 -7.715 -1.183 329 HB3 ALA 39 2HB ALA 39 -2.106 -7.470 0.429 330 H ALA 40 H ALA 40 0.256 -5.212 -1.490 331 HA ALA 40 HA ALA 40 1.429 -4.699 1.009 332 HB1 ALA 40 3HB ALA 40 2.708 -5.305 -1.011 333 HB2 ALA 40 1HB ALA 40 3.334 -3.858 -0.224 334 HB3 ALA 40 2HB ALA 40 2.360 -3.714 -1.686 335 H VAL 41 H VAL 41 0.211 -2.469 -1.481 336 HA VAL 41 HA VAL 41 0.943 -0.097 -0.147 337 HB VAL 41 HB VAL 41 -1.290 -0.516 -2.137 338 HG11 VAL 41 1HG1 VAL 41 0.101 2.016 -1.270 339 HG12 VAL 41 2HG1 VAL 41 -1.569 1.571 -0.917 340 HG13 VAL 41 3HG1 VAL 41 -1.072 1.887 -2.580 341 HG21 VAL 41 3HG2 VAL 41 1.565 0.354 -2.543 342 HG22 VAL 41 1HG2 VAL 41 0.324 0.268 -3.793 343 HG23 VAL 41 2HG2 VAL 41 0.879 -1.204 -3.001 344 H VAL 42 H VAL 42 -2.138 -1.877 -0.223 345 HA VAL 42 HA VAL 42 -3.510 0.015 1.370 346 HB VAL 42 HB VAL 42 -4.686 -1.557 -0.113 347 HG11 VAL 42 1HG1 VAL 42 -5.112 -3.858 0.615 348 HG12 VAL 42 2HG1 VAL 42 -3.963 -3.643 1.935 349 HG13 VAL 42 3HG1 VAL 42 -3.408 -3.575 0.264 350 HG21 VAL 42 3HG2 VAL 42 -6.544 -2.057 1.403 351 HG22 VAL 42 1HG2 VAL 42 -5.903 -0.433 1.651 352 HG23 VAL 42 2HG2 VAL 42 -5.496 -1.722 2.784 353 H LYS 43 H LYS 43 -1.766 -2.970 2.191 354 HA LYS 43 HA LYS 43 -2.547 -2.926 4.933 355 HB2 LYS 43 2HB LYS 43 -0.281 -4.328 3.514 356 HB3 LYS 43 1HB LYS 43 -0.592 -4.515 5.236 357 HG2 LYS 43 2HG LYS 43 -2.832 -5.388 4.719 358 HG3 LYS 43 1HG LYS 43 -2.484 -5.231 2.996 359 HD2 LYS 43 2HD LYS 43 -0.579 -6.781 3.272 360 HD3 LYS 43 1HD LYS 43 -1.009 -6.974 4.970 361 HE2 LYS 43 2HE LYS 43 -3.196 -7.871 4.301 362 HE3 LYS 43 1HE LYS 43 -2.742 -7.701 2.608 363 HZ1 LYS 43 3HZ LYS 43 -1.445 -9.471 4.612 364 HZ2 LYS 43 1HZ LYS 43 -0.890 -9.249 3.026 365 HZ3 LYS 43 2HZ LYS 43 -2.404 -9.961 3.306 366 H ALA 44 H ALA 44 -0.098 -1.309 3.099 367 HA ALA 44 HA ALA 44 1.638 -0.595 5.201 368 HB1 ALA 44 3HB ALA 44 2.424 1.179 3.724 369 HB2 ALA 44 1HB ALA 44 1.023 0.950 2.680 370 HB3 ALA 44 2HB ALA 44 2.230 -0.328 2.831 371 H VAL 45 H VAL 45 -1.125 1.120 3.767 372 HA VAL 45 HA VAL 45 -1.079 3.294 5.578 373 HB VAL 45 HB VAL 45 -3.426 2.186 4.020 374 HG11 VAL 45 1HG1 VAL 45 -4.371 4.442 4.251 375 HG12 VAL 45 2HG1 VAL 45 -3.024 4.890 5.295 376 HG13 VAL 45 3HG1 VAL 45 -4.164 3.647 5.811 377 HG21 VAL 45 3HG2 VAL 45 -1.473 4.374 3.302 378 HG22 VAL 45 1HG2 VAL 45 -2.893 3.906 2.366 379 HG23 VAL 45 2HG2 VAL 45 -1.557 2.773 2.566 380 H ILE 46 H ILE 46 -2.818 0.237 5.519 381 HA ILE 46 HA ILE 46 -4.466 0.628 7.733 382 HB ILE 46 HB ILE 46 -3.372 -1.862 6.450 383 HG12 ILE 46 2HG1 ILE 46 -6.137 -0.632 6.536 384 HG13 ILE 46 1HG1 ILE 46 -5.004 -0.497 5.196 385 HG21 ILE 46 1HG2 ILE 46 -4.986 -3.161 7.770 386 HG22 ILE 46 2HG2 ILE 46 -5.349 -1.717 8.719 387 HG23 ILE 46 3HG2 ILE 46 -3.735 -2.425 8.772 388 HD11 ILE 46 3HD1 ILE 46 -5.111 -2.937 4.898 389 HD12 ILE 46 1HD1 ILE 46 -6.678 -2.152 4.700 390 HD13 ILE 46 2HD1 ILE 46 -6.309 -3.019 6.191 391 H HIS 47 H HIS 47 -1.152 -0.667 7.590 392 HA HIS 47 HA HIS 47 -1.213 -1.218 10.438 393 HD1 HIS 47 HD1 HIS 47 -0.987 -3.514 11.063 394 HD2 HIS 47 HD2 HIS 47 0.369 -3.993 7.158 395 HE1 HIS 47 HE1 HIS 47 -1.765 -5.795 10.349 396 HE2 HIS 47 HE2 HIS 47 -1.090 -5.985 7.934 397 HB2 HIS 47 2HB HIS 47 0.899 -1.636 8.335 398 HB3 HIS 47 1HB HIS 47 1.205 -1.914 10.046 399 H GLY 48 H GLY 48 -0.768 1.528 8.701 400 HA2 GLY 48 2HA GLY 48 -0.305 3.615 9.637 401 HA3 GLY 48 1HA GLY 48 0.395 2.808 11.029 402 H LEU 49 H LEU 49 1.535 1.663 8.039 403 HA LEU 49 HA LEU 49 4.184 2.590 8.493 404 HG LEU 49 HG LEU 49 5.167 2.491 5.597 405 HB2 LEU 49 2HB LEU 49 3.662 0.498 7.288 406 HB3 LEU 49 1HB LEU 49 2.930 1.431 5.998 407 HD11 LEU 49 1HD1 LEU 49 7.134 1.315 6.488 408 HD12 LEU 49 2HD1 LEU 49 6.073 0.353 7.518 409 HD13 LEU 49 3HD1 LEU 49 6.186 2.099 7.751 410 HD21 LEU 49 3HD2 LEU 49 5.021 -0.505 5.331 411 HD22 LEU 49 1HD2 LEU 49 6.074 0.569 4.412 412 HD23 LEU 49 2HD2 LEU 49 4.323 0.667 4.215 413 H ILE 50 H ILE 50 1.760 3.347 6.023 414 HA ILE 50 HA ILE 50 2.865 6.069 5.855 415 HB ILE 50 HB ILE 50 2.386 6.157 3.469 416 HG12 ILE 50 2HG1 ILE 50 1.759 3.206 3.558 417 HG13 ILE 50 1HG1 ILE 50 0.507 4.443 3.629 418 HG21 ILE 50 1HG2 ILE 50 4.073 3.752 4.166 419 HG22 ILE 50 2HG2 ILE 50 4.618 5.428 4.116 420 HG23 ILE 50 3HG2 ILE 50 4.112 4.621 2.633 421 HD11 ILE 50 3HD1 ILE 50 1.155 5.267 1.456 422 HD12 ILE 50 1HD1 ILE 50 0.810 3.539 1.376 423 HD13 ILE 50 2HD1 ILE 50 2.481 4.105 1.383 424 H THR 51 H THR 51 1.200 7.590 4.882 425 HA THR 51 HA THR 51 -1.424 6.954 5.984 426 HB THR 51 HB THR 51 -0.404 9.081 6.648 427 HG1 THR 51 HG1 THR 51 -2.227 10.254 6.418 428 HG21 THR 51 3HG2 THR 51 0.861 9.505 4.554 429 HG22 THR 51 1HG2 THR 51 -0.064 10.901 5.107 430 HG23 THR 51 2HG2 THR 51 -0.655 9.928 3.766 431 H GLU 52 H GLU 52 -3.368 7.581 4.687 432 HA GLU 52 HA GLU 52 -3.338 6.106 2.281 433 HB2 GLU 52 2HB GLU 52 -5.290 6.451 3.871 434 HB3 GLU 52 1HB GLU 52 -5.500 8.031 3.130 435 HG2 GLU 52 2HG GLU 52 -5.828 6.944 0.951 436 HG3 GLU 52 1HG GLU 52 -5.660 5.373 1.727 437 H ARG 53 H ARG 53 -3.545 9.573 2.943 438 HA ARG 53 HA ARG 53 -3.749 10.600 0.374 439 HE ARG 53 HE ARG 53 -6.334 12.073 0.497 440 HB2 ARG 53 2HB ARG 53 -2.239 11.639 2.782 441 HB3 ARG 53 1HB ARG 53 -2.427 12.564 1.303 442 HG2 ARG 53 2HG ARG 53 -4.869 11.514 2.626 443 HG3 ARG 53 1HG ARG 53 -4.039 12.890 3.352 444 HD2 ARG 53 2HD ARG 53 -5.630 13.849 1.928 445 HD3 ARG 53 1HD ARG 53 -4.118 13.941 1.029 446 HH11 ARG 53 1HH1 ARG 53 -3.337 13.595 -0.488 447 HH12 ARG 53 2HH1 ARG 53 -3.463 13.080 -2.140 448 HH21 ARG 53 1HH2 ARG 53 -6.558 11.464 -1.668 449 HH22 ARG 53 2HH2 ARG 53 -5.341 11.905 -2.832 450 H GLU 54 H GLU 54 -0.917 9.490 2.128 451 HA GLU 54 HA GLU 54 1.072 10.238 0.303 452 HB2 GLU 54 2HB GLU 54 1.658 9.590 2.545 453 HB3 GLU 54 1HB GLU 54 0.932 8.005 2.336 454 HG2 GLU 54 2HG GLU 54 3.324 7.823 2.282 455 HG3 GLU 54 1HG GLU 54 2.668 7.445 0.692 456 H ALA 55 H ALA 55 -0.653 7.155 0.721 457 HA ALA 55 HA ALA 55 0.612 5.713 -1.308 458 HB1 ALA 55 3HB ALA 55 -2.238 5.418 -0.361 459 HB2 ALA 55 1HB ALA 55 -0.822 4.706 0.412 460 HB3 ALA 55 2HB ALA 55 -1.282 4.204 -1.213 461 H LEU 56 H LEU 56 -2.326 7.668 -1.421 462 HA LEU 56 HA LEU 56 -2.973 7.130 -4.119 463 HG LEU 56 HG LEU 56 -4.351 7.426 -1.347 464 HB2 LEU 56 2HB LEU 56 -3.666 9.562 -2.478 465 HB3 LEU 56 1HB LEU 56 -4.499 9.003 -3.917 466 HD11 LEU 56 1HD1 LEU 56 -6.582 9.155 -2.400 467 HD12 LEU 56 2HD1 LEU 56 -5.581 9.493 -0.987 468 HD13 LEU 56 3HD1 LEU 56 -6.668 8.102 -0.986 469 HD21 LEU 56 3HD2 LEU 56 -4.690 6.065 -3.328 470 HD22 LEU 56 1HD2 LEU 56 -6.028 7.099 -3.829 471 HD23 LEU 56 2HD2 LEU 56 -6.162 6.133 -2.360 472 H ASP 57 H ASP 57 -1.171 9.782 -2.592 473 HA ASP 57 HA ASP 57 -0.870 11.266 -4.984 474 HB2 ASP 57 2HB ASP 57 0.292 11.380 -2.257 475 HB3 ASP 57 1HB ASP 57 1.170 12.204 -3.543 476 H ARG 58 H ARG 58 1.346 9.031 -3.317 477 HA ARG 58 HA ARG 58 3.508 9.495 -5.070 478 HE ARG 58 HE ARG 58 4.661 4.760 -2.773 479 HB2 ARG 58 2HB ARG 58 4.504 7.461 -4.106 480 HB3 ARG 58 1HB ARG 58 3.875 8.541 -2.873 481 HG2 ARG 58 2HG ARG 58 1.800 7.095 -2.864 482 HG3 ARG 58 1HG ARG 58 2.719 5.944 -3.833 483 HD2 ARG 58 2HD ARG 58 3.611 6.990 -1.152 484 HD3 ARG 58 1HD ARG 58 2.718 5.487 -1.373 485 HH11 ARG 58 1HH1 ARG 58 5.073 7.321 -0.424 486 HH12 ARG 58 2HH1 ARG 58 6.698 6.859 -0.011 487 HH21 ARG 58 1HH2 ARG 58 6.819 4.168 -2.266 488 HH22 ARG 58 2HH2 ARG 58 7.699 5.070 -1.068 489 H TYR 59 H TYR 59 0.905 7.094 -5.171 490 HA TYR 59 HA TYR 59 2.099 5.934 -7.579 491 HD1 TYR 59 HD2 TYR 59 2.846 3.540 -7.353 492 HD2 TYR 59 HD1 TYR 59 0.558 4.301 -3.849 493 HE1 TYR 59 HE2 TYR 59 4.439 2.216 -6.032 494 HE2 TYR 59 HE1 TYR 59 2.145 2.973 -2.521 495 HH TYR 59 HH TYR 59 5.070 1.605 -3.979 496 HB2 TYR 59 2HB TYR 59 -0.243 5.042 -5.890 497 HB3 TYR 59 1HB TYR 59 0.291 4.220 -7.349 498 H SER 60 H SER 60 0.183 8.465 -6.935 499 HA SER 60 HA SER 60 -1.265 9.736 -8.120 500 HG SER 60 HG SER 60 1.392 9.217 -10.194 501 HB2 SER 60 2HB SER 60 -0.304 8.007 -10.411 502 HB3 SER 60 1HB SER 60 -1.278 9.467 -10.600 503 H LEU 61 H LEU 61 -2.196 7.423 -6.759 504 HA LEU 61 HA LEU 61 -4.321 6.309 -8.401 505 HG LEU 61 HG LEU 61 -1.897 4.938 -6.943 506 HB2 LEU 61 2HB LEU 61 -3.664 5.879 -5.482 507 HB3 LEU 61 1HB LEU 61 -4.866 4.991 -6.395 508 HD11 LEU 61 1HD1 LEU 61 -2.419 3.885 -4.823 509 HD12 LEU 61 2HD1 LEU 61 -2.005 2.664 -6.029 510 HD13 LEU 61 3HD1 LEU 61 -3.690 2.933 -5.586 511 HD21 LEU 61 3HD2 LEU 61 -4.122 3.231 -8.056 512 HD22 LEU 61 1HD2 LEU 61 -2.408 3.113 -8.447 513 HD23 LEU 61 2HD2 LEU 61 -3.325 4.543 -8.924 514 H SER 62 H SER 62 -6.528 6.557 -7.859 515 HA SER 62 HA SER 62 -7.127 9.071 -6.495 516 HG SER 62 HG SER 62 -7.086 9.111 -8.872 517 HB2 SER 62 2HB SER 62 -8.975 7.275 -8.078 518 HB3 SER 62 1HB SER 62 -9.305 8.924 -7.550 519 H GLU 63 H GLU 63 -8.949 9.130 -4.993 520 HA GLU 63 HA GLU 63 -8.628 7.316 -2.901 521 HB2 GLU 63 2HB GLU 63 -9.490 9.695 -2.850 522 HB3 GLU 63 1HB GLU 63 -11.037 9.062 -3.397 523 HG2 GLU 63 2HG GLU 63 -11.249 7.742 -1.417 524 HG3 GLU 63 1HG GLU 63 -9.633 8.212 -0.896 525 H GLU 64 H GLU 64 -10.953 7.452 -5.524 526 HA GLU 64 HA GLU 64 -12.702 5.421 -4.801 527 HB2 GLU 64 2HB GLU 64 -13.043 5.140 -7.266 528 HB3 GLU 64 1HB GLU 64 -13.164 6.805 -6.708 529 HG2 GLU 64 2HG GLU 64 -10.903 7.245 -7.491 530 HG3 GLU 64 1HG GLU 64 -10.746 5.569 -8.012 531 H GLU 65 H GLU 65 -9.526 5.245 -6.293 532 HA GLU 65 HA GLU 65 -9.560 2.514 -6.999 533 HB2 GLU 65 2HB GLU 65 -7.980 4.261 -7.872 534 HB3 GLU 65 1HB GLU 65 -7.168 4.240 -6.315 535 HG2 GLU 65 2HG GLU 65 -5.892 2.926 -7.815 536 HG3 GLU 65 1HG GLU 65 -6.676 1.826 -6.684 537 H PHE 66 H PHE 66 -8.029 4.204 -4.274 538 HA PHE 66 HA PHE 66 -7.054 1.933 -2.964 539 HD1 PHE 66 HD1 PHE 66 -4.612 2.904 -1.692 540 HD2 PHE 66 HD2 PHE 66 -8.156 3.606 0.556 541 HE1 PHE 66 HE1 PHE 66 -3.483 2.090 0.332 542 HE2 PHE 66 HE2 PHE 66 -7.031 2.789 2.586 543 HZ PHE 66 HZ PHE 66 -4.690 2.032 2.474 544 HB2 PHE 66 2HB PHE 66 -6.405 4.329 -2.541 545 HB3 PHE 66 1HB PHE 66 -7.906 4.511 -1.645 546 H ALA 67 H ALA 67 -10.188 3.500 -2.874 547 HA ALA 67 HA ALA 67 -11.292 2.207 -0.647 548 HB1 ALA 67 3HB ALA 67 -12.689 3.051 -3.183 549 HB2 ALA 67 1HB ALA 67 -12.360 4.091 -1.796 550 HB3 ALA 67 2HB ALA 67 -13.456 2.720 -1.629 551 H LEU 68 H LEU 68 -11.147 1.256 -4.054 552 HA LEU 68 HA LEU 68 -12.581 -1.167 -3.762 553 HG LEU 68 HG LEU 68 -12.331 1.179 -5.915 554 HB2 LEU 68 2HB LEU 68 -10.492 -0.439 -5.821 555 HB3 LEU 68 1HB LEU 68 -11.638 -1.758 -5.946 556 HD11 LEU 68 1HD1 LEU 68 -12.395 -0.859 -8.137 557 HD12 LEU 68 2HD1 LEU 68 -11.261 0.482 -7.985 558 HD13 LEU 68 3HD1 LEU 68 -12.975 0.802 -8.247 559 HD21 LEU 68 3HD2 LEU 68 -14.606 0.426 -6.434 560 HD22 LEU 68 1HD2 LEU 68 -14.070 -0.149 -4.855 561 HD23 LEU 68 2HD2 LEU 68 -14.093 -1.249 -6.234 562 H TRP 69 H TRP 69 -9.135 -0.370 -3.661 563 HA TRP 69 HA TRP 69 -8.091 -2.953 -3.541 564 HD1 TRP 69 HD1 TRP 69 -8.169 -0.942 -5.411 565 HE1 TRP 69 HE1 TRP 69 -6.572 -0.281 -7.312 566 HE3 TRP 69 HE3 TRP 69 -3.784 -0.920 -2.790 567 HZ2 TRP 69 HZ2 TRP 69 -3.809 0.174 -7.649 568 HZ3 TRP 69 HZ3 TRP 69 -1.709 -0.360 -3.977 569 HH2 TRP 69 HH2 TRP 69 -1.722 0.172 -6.358 570 HB2 TRP 69 2HB TRP 69 -7.062 -0.401 -2.293 571 HB3 TRP 69 1HB TRP 69 -6.147 -1.902 -2.338 572 H ARG 70 H ARG 70 -8.895 -0.814 -0.787 573 HA ARG 70 HA ARG 70 -8.241 -2.749 1.160 574 HE ARG 70 HE ARG 70 -10.779 0.391 3.985 575 HB2 ARG 70 2HB ARG 70 -9.346 -1.287 2.764 576 HB3 ARG 70 1HB ARG 70 -8.325 -0.363 1.674 577 HG2 ARG 70 2HG ARG 70 -10.421 0.140 0.354 578 HG3 ARG 70 1HG ARG 70 -11.321 -0.530 1.717 579 HD2 ARG 70 2HD ARG 70 -9.383 1.779 1.832 580 HD3 ARG 70 1HD ARG 70 -11.140 1.904 1.869 581 HH11 ARG 70 1HH1 ARG 70 -8.884 3.135 2.951 582 HH12 ARG 70 2HH1 ARG 70 -8.431 3.610 4.558 583 HH21 ARG 70 1HH2 ARG 70 -10.160 0.990 6.131 584 HH22 ARG 70 2HH2 ARG 70 -9.149 2.382 6.357 585 H SER 71 H SER 71 -11.132 -2.225 -0.706 586 HA SER 71 HA SER 71 -12.820 -3.820 0.970 587 HG SER 71 HG SER 71 -13.167 -1.161 -0.784 588 HB2 SER 71 2HB SER 71 -13.164 -3.031 -1.933 589 HB3 SER 71 1HB SER 71 -14.419 -3.695 -0.884 590 H ALA 72 H ALA 72 -10.753 -4.394 -1.809 591 HA ALA 72 HA ALA 72 -11.737 -7.087 -2.180 592 HB1 ALA 72 3HB ALA 72 -11.093 -5.705 -4.104 593 HB2 ALA 72 1HB ALA 72 -10.171 -7.205 -4.028 594 HB3 ALA 72 2HB ALA 72 -9.427 -5.688 -3.525 595 H VAL 73 H VAL 73 -9.181 -5.557 -0.435 596 HA VAL 73 HA VAL 73 -7.748 -8.099 -0.172 597 HB VAL 73 HB VAL 73 -6.862 -5.323 0.620 598 HG11 VAL 73 1HG1 VAL 73 -5.894 -7.029 2.077 599 HG12 VAL 73 2HG1 VAL 73 -4.668 -6.332 1.019 600 HG13 VAL 73 3HG1 VAL 73 -5.336 -7.928 0.666 601 HG21 VAL 73 3HG2 VAL 73 -6.930 -5.567 -1.781 602 HG22 VAL 73 1HG2 VAL 73 -6.055 -7.094 -1.684 603 HG23 VAL 73 2HG2 VAL 73 -5.251 -5.589 -1.244 604 H ALA 74 H ALA 74 -8.779 -5.418 1.962 605 HA ALA 74 HA ALA 74 -8.224 -6.888 4.325 606 HB1 ALA 74 3HB ALA 74 -8.240 -4.436 4.284 607 HB2 ALA 74 1HB ALA 74 -9.327 -5.078 5.517 608 HB3 ALA 74 2HB ALA 74 -9.982 -4.456 4.002 609 H ALA 75 H ALA 75 -11.222 -6.176 2.577 610 HA ALA 75 HA ALA 75 -12.750 -7.878 4.372 611 HB1 ALA 75 3HB ALA 75 -13.775 -5.828 3.524 612 HB2 ALA 75 1HB ALA 75 -14.673 -7.249 2.990 613 HB3 ALA 75 2HB ALA 75 -13.596 -6.414 1.870 614 H HIS 76 H HIS 76 -12.511 -7.749 0.828 615 HA HIS 76 HA HIS 76 -12.003 -9.296 -0.741 616 HD1 HIS 76 HD1 HIS 76 -9.555 -10.296 -1.727 617 HD2 HIS 76 HD2 HIS 76 -11.329 -13.571 0.116 618 HE1 HIS 76 HE1 HIS 76 -9.046 -12.267 -3.207 619 HE2 HIS 76 HE2 HIS 76 -9.984 -14.259 -1.981 620 HB2 HIS 76 2HB HIS 76 -10.200 -10.003 0.864 621 HB3 HIS 76 1HB HIS 76 -11.313 -11.209 1.496 622 H GLY 77 H GLY 77 -14.402 -9.650 1.544 623 HA2 GLY 77 2HA GLY 77 -16.286 -10.734 -0.101 624 HA3 GLY 77 1HA GLY 77 -15.504 -12.131 0.622 625 H GLU 78 H GLU 78 -17.674 -9.518 1.090 626 HA GLU 78 HA GLU 78 -17.984 -9.966 3.938 627 HB2 GLU 78 2HB GLU 78 -19.837 -8.290 3.693 628 HB3 GLU 78 1HB GLU 78 -18.260 -7.712 3.170 629 HG2 GLU 78 2HG GLU 78 -18.899 -8.193 0.834 630 HG3 GLU 78 1HG GLU 78 -20.501 -8.661 1.402 631 H LYS 79 H LYS 79 -18.385 -12.192 2.204 632 HA LYS 79 HA LYS 79 -21.221 -12.643 1.908 633 HB2 LYS 79 2HB LYS 79 -18.987 -14.639 1.532 634 HB3 LYS 79 1HB LYS 79 -20.601 -14.686 0.833 635 HG2 LYS 79 2HG LYS 79 -20.097 -12.774 -0.556 636 HG3 LYS 79 1HG LYS 79 -18.510 -12.616 0.196 637 HD2 LYS 79 2HD LYS 79 -17.939 -14.877 -0.650 638 HD3 LYS 79 1HD LYS 79 -19.492 -14.919 -1.485 639 HE2 LYS 79 2HE LYS 79 -17.267 -12.931 -1.944 640 HE3 LYS 79 1HE LYS 79 -17.711 -14.261 -3.010 641 HZ1 LYS 79 3HZ LYS 79 -19.894 -13.226 -3.299 642 HZ2 LYS 79 1HZ LYS 79 -18.641 -12.210 -3.817 643 HZ3 LYS 79 2HZ LYS 79 -19.406 -11.915 -2.334 644 H ALA 80 H ALA 80 -18.605 -13.613 4.009 645 HA ALA 80 HA ALA 80 -20.519 -15.129 5.656 646 HB1 ALA 80 3HB ALA 80 -17.562 -15.652 5.363 647 HB2 ALA 80 1HB ALA 80 -18.847 -16.580 4.586 648 HB3 ALA 80 2HB ALA 80 -18.700 -16.575 6.343 649 H LEU 81 H LEU 81 -21.050 -13.685 7.198 650 HA LEU 81 HA LEU 81 -19.016 -11.936 8.292 651 HG LEU 81 HG LEU 81 -20.319 -10.093 7.327 652 HB2 LEU 81 2HB LEU 81 -21.979 -12.118 8.816 653 HB3 LEU 81 1HB LEU 81 -20.914 -11.003 9.647 654 HD11 LEU 81 1HD1 LEU 81 -21.235 -11.931 6.014 655 HD12 LEU 81 2HD1 LEU 81 -22.003 -10.399 5.596 656 HD13 LEU 81 3HD1 LEU 81 -22.850 -11.562 6.614 657 HD21 LEU 81 3HD2 LEU 81 -22.291 -8.647 7.296 658 HD22 LEU 81 1HD2 LEU 81 -21.670 -8.874 8.933 659 HD23 LEU 81 2HD2 LEU 81 -23.111 -9.745 8.406 660 H LYS 82 H LYS 82 -17.800 -13.717 9.208 661 HA LYS 82 HA LYS 82 -18.848 -14.909 11.631 662 HB2 LYS 82 2HB LYS 82 -17.266 -16.169 10.215 663 HB3 LYS 82 1HB LYS 82 -16.054 -14.920 10.456 664 HG2 LYS 82 2HG LYS 82 -15.966 -15.440 12.831 665 HG3 LYS 82 1HG LYS 82 -17.216 -16.665 12.619 666 HD2 LYS 82 2HD LYS 82 -15.759 -17.956 11.184 667 HD3 LYS 82 1HD LYS 82 -14.523 -16.697 11.265 668 HE2 LYS 82 2HE LYS 82 -14.291 -17.058 13.660 669 HE3 LYS 82 1HE LYS 82 -15.564 -18.276 13.614 670 HZ1 LYS 82 3HZ LYS 82 -13.302 -19.209 13.640 671 HZ2 LYS 82 1HZ LYS 82 -12.993 -18.481 12.139 672 HZ3 LYS 82 2HZ LYS 82 -14.190 -19.677 12.276 673 H VAL 83 H VAL 83 -17.821 -14.489 13.753 674 HA VAL 83 HA VAL 83 -17.859 -11.812 14.438 675 HB VAL 83 HB VAL 83 -18.132 -13.609 16.069 676 HG11 VAL 83 1HG1 VAL 83 -15.162 -14.032 15.775 677 HG12 VAL 83 2HG1 VAL 83 -16.435 -15.153 15.292 678 HG13 VAL 83 3HG1 VAL 83 -16.190 -14.780 16.998 679 HG21 VAL 83 3HG2 VAL 83 -15.893 -11.700 16.726 680 HG22 VAL 83 1HG2 VAL 83 -16.817 -12.622 17.913 681 HG23 VAL 83 2HG2 VAL 83 -17.622 -11.411 16.918 682 H THR 84 H THR 84 -15.132 -13.720 13.362 683 HA THR 84 HA THR 84 -13.116 -11.829 14.070 684 HB THR 84 HB THR 84 -12.918 -13.974 11.961 685 HG1 THR 84 HG1 THR 84 -12.748 -14.174 14.806 686 HG21 THR 84 3HG2 THR 84 -10.869 -12.796 13.847 687 HG22 THR 84 1HG2 THR 84 -11.004 -12.432 12.127 688 HG23 THR 84 2HG2 THR 84 -10.566 -14.057 12.655 689 H MET 85 H MET 85 -15.413 -11.978 11.571 690 HA MET 85 HA MET 85 -13.814 -10.632 9.573 691 HB2 MET 85 2HB MET 85 -16.665 -11.585 9.668 692 HB3 MET 85 1HB MET 85 -16.069 -10.593 8.341 693 HG2 MET 85 2HG MET 85 -14.961 -13.268 9.166 694 HG3 MET 85 1HG MET 85 -16.054 -12.980 7.813 695 HE1 MET 85 3HE MET 85 -12.691 -13.826 6.024 696 HE2 MET 85 1HE MET 85 -14.409 -14.204 6.158 697 HE3 MET 85 2HE MET 85 -13.324 -14.536 7.508 698 H ILE 86 H ILE 86 -16.220 -9.781 11.969 699 HA ILE 86 HA ILE 86 -17.119 -7.385 10.826 700 HB ILE 86 HB ILE 86 -17.039 -8.228 13.722 701 HG12 ILE 86 2HG1 ILE 86 -19.628 -8.144 13.143 702 HG13 ILE 86 1HG1 ILE 86 -19.028 -8.379 11.503 703 HG21 ILE 86 1HG2 ILE 86 -18.606 -6.381 14.164 704 HG22 ILE 86 2HG2 ILE 86 -18.351 -5.796 12.520 705 HG23 ILE 86 3HG2 ILE 86 -17.013 -5.810 13.667 706 HD11 ILE 86 3HD1 ILE 86 -19.624 -10.487 12.506 707 HD12 ILE 86 1HD1 ILE 86 -18.527 -10.184 13.854 708 HD13 ILE 86 2HD1 ILE 86 -17.883 -10.414 12.227 709 H GLN 87 H GLN 87 -14.371 -8.015 12.977 710 HA GLN 87 HA GLN 87 -13.729 -5.316 13.450 711 HB2 GLN 87 2HB GLN 87 -11.474 -6.133 14.058 712 HB3 GLN 87 1HB GLN 87 -12.766 -7.032 14.839 713 HG2 GLN 87 2HG GLN 87 -12.479 -8.863 13.307 714 HG3 GLN 87 1HG GLN 87 -11.288 -7.948 12.383 715 HE21 GLN 87 1HE2 GLN 87 -9.694 -9.497 12.692 716 HE22 GLN 87 2HE2 GLN 87 -8.908 -9.729 14.217 717 H LYS 88 H LYS 88 -12.989 -7.459 10.770 718 HA LYS 88 HA LYS 88 -11.093 -5.686 9.569 719 HB2 LYS 88 2HB LYS 88 -12.661 -7.977 8.379 720 HB3 LYS 88 1HB LYS 88 -11.400 -7.095 7.534 721 HG2 LYS 88 2HG LYS 88 -9.902 -7.794 9.523 722 HG3 LYS 88 1HG LYS 88 -11.163 -8.992 9.831 723 HD2 LYS 88 2HD LYS 88 -9.601 -8.648 7.270 724 HD3 LYS 88 1HD LYS 88 -9.413 -9.951 8.443 725 HE2 LYS 88 2HE LYS 88 -11.478 -10.900 7.897 726 HE3 LYS 88 1HE LYS 88 -12.046 -9.427 7.112 727 HZ1 LYS 88 3HZ LYS 88 -9.858 -11.165 6.086 728 HZ2 LYS 88 1HZ LYS 88 -10.487 -9.782 5.330 729 HZ3 LYS 88 2HZ LYS 88 -11.454 -11.158 5.511 730 H TYR 89 H TYR 89 -14.564 -6.102 9.434 731 HA TYR 89 HA TYR 89 -14.962 -4.401 7.171 732 HD1 TYR 89 HD2 TYR 89 -15.630 -5.943 5.961 733 HD2 TYR 89 HD1 TYR 89 -18.050 -7.194 9.222 734 HE1 TYR 89 HE2 TYR 89 -15.915 -8.141 4.896 735 HE2 TYR 89 HE1 TYR 89 -18.339 -9.399 8.172 736 HH TYR 89 HH TYR 89 -16.463 -10.442 5.533 737 HB2 TYR 89 2HB TYR 89 -16.901 -5.173 9.366 738 HB3 TYR 89 1HB TYR 89 -17.334 -4.375 7.859 739 H ARG 90 H ARG 90 -14.579 -3.913 10.595 740 HA ARG 90 HA ARG 90 -15.429 -1.185 10.618 741 HE ARG 90 HE ARG 90 -18.013 -2.741 14.253 742 HB2 ARG 90 2HB ARG 90 -13.597 -2.666 12.518 743 HB3 ARG 90 1HB ARG 90 -14.276 -1.071 12.805 744 HG2 ARG 90 2HG ARG 90 -15.807 -3.649 12.545 745 HG3 ARG 90 1HG ARG 90 -15.522 -2.731 14.024 746 HD2 ARG 90 2HD ARG 90 -16.779 -0.844 13.075 747 HD3 ARG 90 1HD ARG 90 -17.084 -1.794 11.621 748 HH11 ARG 90 1HH1 ARG 90 -18.665 -1.777 10.934 749 HH12 ARG 90 2HH1 ARG 90 -20.333 -2.265 10.998 750 HH21 ARG 90 1HH2 ARG 90 -20.221 -3.359 14.324 751 HH22 ARG 90 2HH2 ARG 90 -21.208 -3.179 12.901 752 H GLN 91 H GLN 91 -12.358 -2.850 10.236 753 HA GLN 91 HA GLN 91 -10.804 -0.450 10.012 754 HB2 GLN 91 2HB GLN 91 -9.910 -2.632 10.806 755 HB3 GLN 91 1HB GLN 91 -10.139 -3.286 9.192 756 HG2 GLN 91 2HG GLN 91 -8.454 -1.885 8.292 757 HG3 GLN 91 1HG GLN 91 -8.372 -0.927 9.772 758 HE21 GLN 91 1HE2 GLN 91 -7.267 -1.719 11.541 759 HE22 GLN 91 2HE2 GLN 91 -6.228 -3.102 11.455 760 H LEU 92 H LEU 92 -12.768 -2.298 7.938 761 HA LEU 92 HA LEU 92 -11.708 -1.557 5.410 762 HG LEU 92 HG LEU 92 -14.350 -1.120 4.104 763 HB2 LEU 92 2HB LEU 92 -13.156 -3.437 5.531 764 HB3 LEU 92 1HB LEU 92 -14.396 -2.518 6.360 765 HD11 LEU 92 1HD1 LEU 92 -13.480 -3.876 3.256 766 HD12 LEU 92 2HD1 LEU 92 -12.548 -2.389 3.085 767 HD13 LEU 92 3HD1 LEU 92 -14.049 -2.597 2.182 768 HD21 LEU 92 3HD2 LEU 92 -16.245 -2.428 3.369 769 HD22 LEU 92 1HD2 LEU 92 -16.276 -2.232 5.123 770 HD23 LEU 92 2HD2 LEU 92 -15.756 -3.765 4.410 771 H HIS 93 H HIS 93 -13.769 -0.038 7.727 772 HA HIS 93 HA HIS 93 -15.461 1.557 6.330 773 HD1 HIS 93 HD1 HIS 93 -17.571 2.859 8.651 774 HD2 HIS 93 HD2 HIS 93 -14.029 5.023 8.340 775 HE1 HIS 93 HE1 HIS 93 -18.225 5.277 8.872 776 HE2 HIS 93 HE2 HIS 93 -16.099 6.565 8.497 777 HB2 HIS 93 2HB HIS 93 -15.519 1.397 8.733 778 HB3 HIS 93 1HB HIS 93 -13.954 2.186 8.871 779 H HIS 94 H HIS 94 -15.135 2.847 4.689 780 HA HIS 94 HA HIS 94 -12.937 4.796 4.805 781 HD1 HIS 94 HD1 HIS 94 -13.386 4.972 0.447 782 HD2 HIS 94 HD2 HIS 94 -10.444 5.100 3.393 783 HE1 HIS 94 HE1 HIS 94 -11.607 6.528 -0.424 784 HE2 HIS 94 HE2 HIS 94 -9.790 6.530 1.335 785 HB2 HIS 94 2HB HIS 94 -12.446 2.889 3.228 786 HB3 HIS 94 1HB HIS 94 -13.847 3.382 2.286 787 H HIS 95 H HIS 95 -15.500 5.260 5.687 788 HA HIS 95 HA HIS 95 -16.248 7.469 4.004 789 HD1 HIS 95 HD1 HIS 95 -18.620 7.048 1.438 790 HD2 HIS 95 HD2 HIS 95 -19.984 7.650 5.321 791 HE1 HIS 95 HE1 HIS 95 -20.555 8.641 1.240 792 HE2 HIS 95 HE2 HIS 95 -21.247 9.133 3.612 793 HB2 HIS 95 2HB HIS 95 -17.528 5.529 3.051 794 HB3 HIS 95 1HB HIS 95 -18.307 5.329 4.613 Start of MODEL 10 1 HA MET 1 HA MET 1 4.733 6.881 22.316 2 H1 MET 1 1H MET 1 3.940 4.762 23.223 3 H2 MET 1 2H MET 1 3.453 5.571 24.633 4 H3 MET 1 3H MET 1 5.095 5.526 24.205 5 HB2 MET 1 2HB MET 1 2.549 6.002 21.681 6 HB3 MET 1 1HB MET 1 1.816 6.740 23.098 7 HG2 MET 1 2HG MET 1 1.352 8.018 21.080 8 HG3 MET 1 1HG MET 1 2.305 8.953 22.231 9 HE1 MET 1 3HE MET 1 1.959 9.797 19.194 10 HE2 MET 1 1HE MET 1 3.612 10.255 18.780 11 HE3 MET 1 2HE MET 1 2.938 10.707 20.345 12 H TYR 2 H TYR 2 6.028 8.209 23.551 13 HA TYR 2 HA TYR 2 4.559 10.250 25.066 14 HD1 TYR 2 HD2 TYR 2 4.091 10.397 27.562 15 HD2 TYR 2 HD1 TYR 2 6.393 6.867 26.979 16 HE1 TYR 2 HE2 TYR 2 2.675 9.214 29.183 17 HE2 TYR 2 HE1 TYR 2 4.978 5.671 28.597 18 HH TYR 2 HH TYR 2 3.514 6.311 30.585 19 HB2 TYR 2 2HB TYR 2 7.071 8.840 25.958 20 HB3 TYR 2 1HB TYR 2 6.544 10.374 26.639 21 H LEU 3 H LEU 3 4.738 11.377 23.049 22 HA LEU 3 HA LEU 3 5.489 13.182 21.930 23 HG LEU 3 HG LEU 3 6.669 15.423 24.569 24 HB2 LEU 3 2HB LEU 3 7.501 13.136 24.136 25 HB3 LEU 3 1HB LEU 3 7.722 14.224 22.781 26 HD11 LEU 3 1HD1 LEU 3 5.945 16.005 22.337 27 HD12 LEU 3 2HD1 LEU 3 4.609 16.177 23.476 28 HD13 LEU 3 3HD1 LEU 3 4.680 14.779 22.400 29 HD21 LEU 3 3HD2 LEU 3 5.715 13.568 25.807 30 HD22 LEU 3 1HD2 LEU 3 4.538 13.290 24.526 31 HD23 LEU 3 2HD2 LEU 3 4.479 14.779 25.470 32 H LYS 4 H LYS 4 8.096 10.869 22.611 33 HA LYS 4 HA LYS 4 9.490 11.547 20.193 34 HB2 LYS 4 2HB LYS 4 9.856 9.171 22.033 35 HB3 LYS 4 1HB LYS 4 10.966 9.669 20.763 36 HG2 LYS 4 2HG LYS 4 10.263 11.259 23.224 37 HG3 LYS 4 1HG LYS 4 11.766 10.377 22.940 38 HD2 LYS 4 2HD LYS 4 12.354 11.833 21.127 39 HD3 LYS 4 1HD LYS 4 10.777 12.623 21.190 40 HE2 LYS 4 2HE LYS 4 11.284 13.485 23.409 41 HE3 LYS 4 1HE LYS 4 12.842 12.663 23.388 42 HZ1 LYS 4 3HZ LYS 4 13.573 14.051 21.612 43 HZ2 LYS 4 1HZ LYS 4 12.958 15.051 22.835 44 HZ3 LYS 4 2HZ LYS 4 12.042 14.754 21.441 45 H ARG 5 H ARG 5 8.562 11.106 18.323 46 HA ARG 5 HA ARG 5 7.759 8.366 17.743 47 HE ARG 5 HE ARG 5 3.621 8.184 14.632 48 HB2 ARG 5 2HB ARG 5 5.658 9.352 18.402 49 HB3 ARG 5 1HB ARG 5 5.958 10.770 17.406 50 HG2 ARG 5 2HG ARG 5 5.984 9.136 15.431 51 HG3 ARG 5 1HG ARG 5 5.240 7.992 16.551 52 HD2 ARG 5 2HD ARG 5 3.397 9.513 16.931 53 HD3 ARG 5 1HD ARG 5 4.160 10.734 15.912 54 HH11 ARG 5 1HH1 ARG 5 2.550 11.463 15.212 55 HH12 ARG 5 2HH1 ARG 5 1.426 11.467 13.889 56 HH21 ARG 5 1HH2 ARG 5 2.157 8.184 12.886 57 HH22 ARG 5 2HH2 ARG 5 1.197 9.603 12.572 58 H VAL 6 H VAL 6 8.236 7.784 15.672 59 HA VAL 6 HA VAL 6 9.323 9.807 13.891 60 HB VAL 6 HB VAL 6 10.491 7.652 14.005 61 HG11 VAL 6 1HG1 VAL 6 7.939 6.454 12.941 62 HG12 VAL 6 2HG1 VAL 6 8.639 6.187 14.538 63 HG13 VAL 6 3HG1 VAL 6 9.478 5.608 13.098 64 HG21 VAL 6 3HG2 VAL 6 10.619 8.901 11.929 65 HG22 VAL 6 1HG2 VAL 6 9.149 8.122 11.344 66 HG23 VAL 6 2HG2 VAL 6 10.613 7.168 11.597 67 H ASP 7 H ASP 7 8.215 10.705 12.248 68 HA ASP 7 HA ASP 7 5.431 10.614 12.150 69 HB2 ASP 7 2HB ASP 7 7.389 11.497 10.012 70 HB3 ASP 7 1HB ASP 7 5.657 11.818 9.972 71 H GLY 8 H GLY 8 7.728 9.268 9.790 72 HA2 GLY 8 2HA GLY 8 5.630 7.346 9.012 73 HA3 GLY 8 1HA GLY 8 6.891 7.923 7.930 74 HA PRO 9 HA PRO 9 8.442 4.496 11.168 75 HB2 PRO 9 2HB PRO 9 6.322 2.641 10.216 76 HB3 PRO 9 1HB PRO 9 7.028 2.812 11.827 77 HG2 PRO 9 2HG PRO 9 4.586 3.728 11.321 78 HG3 PRO 9 1HG PRO 9 5.699 4.640 12.359 79 HD2 PRO 9 2HD PRO 9 4.940 5.124 9.504 80 HD3 PRO 9 1HD PRO 9 5.207 6.295 10.813 81 H ARG 10 H ARG 10 9.924 3.014 10.385 82 HA ARG 10 HA ARG 10 10.240 3.139 7.518 83 HE ARG 10 HE ARG 10 14.025 5.855 10.106 84 HB2 ARG 10 2HB ARG 10 12.001 1.942 9.658 85 HB3 ARG 10 1HB ARG 10 12.435 2.076 7.956 86 HG2 ARG 10 2HG ARG 10 12.192 4.531 8.129 87 HG3 ARG 10 1HG ARG 10 11.876 4.343 9.856 88 HD2 ARG 10 2HD ARG 10 14.070 3.396 10.194 89 HD3 ARG 10 1HD ARG 10 14.389 3.432 8.458 90 HH11 ARG 10 1HH1 ARG 10 15.574 4.099 7.507 91 HH12 ARG 10 2HH1 ARG 10 16.602 5.428 7.046 92 HH21 ARG 10 1HH2 ARG 10 15.368 7.612 9.513 93 HH22 ARG 10 2HH2 ARG 10 16.501 7.421 8.199 94 H GLN 11 H GLN 11 9.311 0.752 9.889 95 HA GLN 11 HA GLN 11 8.493 -0.988 7.732 96 HB2 GLN 11 2HB GLN 11 9.607 -2.985 8.637 97 HB3 GLN 11 1HB GLN 11 10.760 -1.776 8.089 98 HG2 GLN 11 2HG GLN 11 11.190 -1.094 10.358 99 HG3 GLN 11 1HG GLN 11 9.941 -2.188 10.952 100 HE21 GLN 11 1HE2 GLN 11 10.317 -4.396 10.971 101 HE22 GLN 11 2HE2 GLN 11 11.918 -5.057 10.822 102 H VAL 12 H VAL 12 6.831 -2.313 8.214 103 HA VAL 12 HA VAL 12 5.897 -2.394 11.004 104 HB VAL 12 HB VAL 12 3.562 -2.404 10.142 105 HG11 VAL 12 1HG1 VAL 12 5.180 0.051 9.489 106 HG12 VAL 12 2HG1 VAL 12 4.489 -0.365 11.056 107 HG13 VAL 12 3HG1 VAL 12 3.429 0.011 9.698 108 HG21 VAL 12 3HG2 VAL 12 3.121 -1.581 7.870 109 HG22 VAL 12 1HG2 VAL 12 3.977 -3.123 7.865 110 HG23 VAL 12 2HG2 VAL 12 4.850 -1.629 7.531 111 H THR 13 H THR 13 3.940 -4.154 10.946 112 HA THR 13 HA THR 13 5.111 -6.546 9.669 113 HB THR 13 HB THR 13 3.539 -6.532 12.251 114 HG1 THR 13 HG1 THR 13 6.238 -7.009 12.456 115 HG21 THR 13 3HG2 THR 13 5.371 -8.575 10.981 116 HG22 THR 13 1HG2 THR 13 3.615 -8.682 11.101 117 HG23 THR 13 2HG2 THR 13 4.603 -8.736 12.560 118 H LEU 14 H LEU 14 3.687 -8.066 8.786 119 HA LEU 14 HA LEU 14 1.000 -7.055 8.216 120 HG LEU 14 HG LEU 14 2.253 -8.135 4.884 121 HB2 LEU 14 2HB LEU 14 2.567 -9.363 7.057 122 HB3 LEU 14 1HB LEU 14 0.916 -8.991 6.613 123 HD11 LEU 14 1HD1 LEU 14 1.598 -5.856 6.737 124 HD12 LEU 14 2HD1 LEU 14 0.509 -6.603 5.569 125 HD13 LEU 14 3HD1 LEU 14 1.926 -5.713 5.010 126 HD21 LEU 14 3HD2 LEU 14 4.357 -8.218 6.291 127 HD22 LEU 14 1HD2 LEU 14 3.932 -6.593 6.824 128 HD23 LEU 14 2HD2 LEU 14 4.228 -6.916 5.113 129 HA PRO 15 HA PRO 15 -0.971 -10.178 10.789 130 HB2 PRO 15 2HB PRO 15 -3.177 -10.747 9.295 131 HB3 PRO 15 1HB PRO 15 -3.030 -9.271 10.255 132 HG2 PRO 15 2HG PRO 15 -2.615 -9.674 7.324 133 HG3 PRO 15 1HG PRO 15 -3.416 -8.338 8.168 134 HD2 PRO 15 2HD PRO 15 -0.880 -8.168 7.214 135 HD3 PRO 15 1HD PRO 15 -1.424 -7.291 8.659 136 H ASP 16 H ASP 16 0.038 -10.564 7.578 137 HA ASP 16 HA ASP 16 -0.361 -13.373 7.275 138 HB2 ASP 16 2HB ASP 16 1.696 -11.663 5.871 139 HB3 ASP 16 1HB ASP 16 0.953 -13.146 5.287 140 H GLY 17 H GLY 17 1.778 -11.464 9.062 141 HA2 GLY 17 2HA GLY 17 3.390 -12.280 10.573 142 HA3 GLY 17 1HA GLY 17 3.493 -13.762 9.633 143 H THR 18 H THR 18 3.495 -11.241 7.523 144 HA THR 18 HA THR 18 6.333 -11.553 7.009 145 HB THR 18 HB THR 18 4.701 -9.714 5.352 146 HG1 THR 18 HG1 THR 18 4.202 -12.531 5.487 147 HG21 THR 18 3HG2 THR 18 5.786 -10.959 3.534 148 HG22 THR 18 1HG2 THR 18 6.510 -12.046 4.718 149 HG23 THR 18 2HG2 THR 18 6.964 -10.342 4.693 150 H VAL 19 H VAL 19 7.531 -9.515 6.297 151 HA VAL 19 HA VAL 19 6.930 -7.278 8.114 152 HB VAL 19 HB VAL 19 9.563 -8.030 6.821 153 HG11 VAL 19 1HG1 VAL 19 10.542 -6.257 8.192 154 HG12 VAL 19 2HG1 VAL 19 8.939 -5.819 8.779 155 HG13 VAL 19 3HG1 VAL 19 9.341 -5.606 7.074 156 HG21 VAL 19 3HG2 VAL 19 8.950 -9.567 8.603 157 HG22 VAL 19 1HG2 VAL 19 8.652 -8.214 9.695 158 HG23 VAL 19 2HG2 VAL 19 10.287 -8.539 9.118 159 H LEU 20 H LEU 20 6.660 -5.245 7.306 160 HA LEU 20 HA LEU 20 6.917 -4.913 4.390 161 HG LEU 20 HG LEU 20 5.076 -2.297 4.370 162 HB2 LEU 20 2HB LEU 20 4.572 -5.205 4.976 163 HB3 LEU 20 1HB LEU 20 4.686 -3.924 6.164 164 HD11 LEU 20 1HD1 LEU 20 6.163 -3.751 2.749 165 HD12 LEU 20 2HD1 LEU 20 4.761 -2.958 2.029 166 HD13 LEU 20 3HD1 LEU 20 4.661 -4.648 2.525 167 HD21 LEU 20 3HD2 LEU 20 2.819 -2.353 3.417 168 HD22 LEU 20 1HD2 LEU 20 2.805 -2.712 5.143 169 HD23 LEU 20 2HD2 LEU 20 2.628 -4.016 3.970 170 H SER 21 H SER 21 8.726 -3.689 4.342 171 HA SER 21 HA SER 21 8.928 -1.353 6.064 172 HG SER 21 HG SER 21 10.848 -3.976 4.795 173 HB2 SER 21 2HB SER 21 10.870 -2.037 3.888 174 HB3 SER 21 1HB SER 21 11.174 -1.269 5.447 175 H ARG 22 H ARG 22 9.545 0.762 4.962 176 HA ARG 22 HA ARG 22 7.621 1.392 2.957 177 HE ARG 22 HE ARG 22 9.076 5.848 3.667 178 HB2 ARG 22 2HB ARG 22 9.920 2.955 4.129 179 HB3 ARG 22 1HB ARG 22 8.888 3.608 2.861 180 HG2 ARG 22 2HG ARG 22 6.936 3.322 4.304 181 HG3 ARG 22 1HG ARG 22 7.973 2.676 5.577 182 HD2 ARG 22 2HD ARG 22 7.405 5.044 5.927 183 HD3 ARG 22 1HD ARG 22 9.138 4.786 5.750 184 HH11 ARG 22 1HH1 ARG 22 5.895 5.765 5.156 185 HH12 ARG 22 2HH1 ARG 22 5.237 6.985 4.102 186 HH21 ARG 22 1HH2 ARG 22 8.221 7.476 2.333 187 HH22 ARG 22 2HH2 ARG 22 6.552 7.963 2.502 188 H ALA 23 H ALA 23 10.880 0.295 2.923 189 HA ALA 23 HA ALA 23 11.279 0.833 0.110 190 HB1 ALA 23 3HB ALA 23 13.368 -0.373 0.367 191 HB2 ALA 23 1HB ALA 23 12.880 -0.914 1.973 192 HB3 ALA 23 2HB ALA 23 13.176 0.798 1.672 193 H ASP 24 H ASP 24 9.517 -1.418 1.839 194 HA ASP 24 HA ASP 24 9.853 -3.601 -0.057 195 HB2 ASP 24 2HB ASP 24 8.351 -3.251 2.502 196 HB3 ASP 24 1HB ASP 24 7.791 -4.471 1.366 197 H LEU 25 H LEU 25 8.129 -0.766 0.132 198 HA LEU 25 HA LEU 25 5.661 -1.486 -1.025 199 HG LEU 25 HG LEU 25 6.116 0.425 1.149 200 HB2 LEU 25 2HB LEU 25 7.240 1.074 -0.989 201 HB3 LEU 25 1HB LEU 25 5.691 0.952 -1.798 202 HD11 LEU 25 1HD1 LEU 25 4.998 2.571 1.488 203 HD12 LEU 25 2HD1 LEU 25 4.986 2.845 -0.252 204 HD13 LEU 25 3HD1 LEU 25 6.518 2.770 0.619 205 HD21 LEU 25 3HD2 LEU 25 3.675 0.538 1.253 206 HD22 LEU 25 1HD2 LEU 25 4.217 -0.775 0.209 207 HD23 LEU 25 2HD2 LEU 25 3.608 0.721 -0.499 208 HA PRO 26 HA PRO 26 6.740 -2.455 -5.181 209 HB2 PRO 26 2HB PRO 26 4.506 -1.571 -6.482 210 HB3 PRO 26 1HB PRO 26 4.561 -3.064 -5.542 211 HG2 PRO 26 2HG PRO 26 3.534 -0.366 -4.752 212 HG3 PRO 26 1HG PRO 26 2.824 -1.966 -4.461 213 HD2 PRO 26 2HD PRO 26 4.178 -0.646 -2.554 214 HD3 PRO 26 1HD PRO 26 4.246 -2.414 -2.698 215 HA PRO 27 HA PRO 27 8.704 1.054 -6.997 216 HB2 PRO 27 2HB PRO 27 8.408 0.276 -9.672 217 HB3 PRO 27 1HB PRO 27 9.754 -0.135 -8.609 218 HG2 PRO 27 2HG PRO 27 7.371 -1.743 -9.359 219 HG3 PRO 27 1HG PRO 27 9.029 -2.273 -9.018 220 HD2 PRO 27 2HD PRO 27 7.031 -2.621 -7.248 221 HD3 PRO 27 1HD PRO 27 8.692 -2.267 -6.730 222 H LEU 28 H LEU 28 8.185 2.990 -7.905 223 HA LEU 28 HA LEU 28 5.453 3.704 -7.836 224 HG LEU 28 HG LEU 28 8.100 4.671 -6.506 225 HB2 LEU 28 2HB LEU 28 7.813 5.264 -8.895 226 HB3 LEU 28 1HB LEU 28 6.233 5.930 -8.519 227 HD11 LEU 28 1HD1 LEU 28 8.416 6.959 -5.691 228 HD12 LEU 28 2HD1 LEU 28 7.454 7.567 -7.037 229 HD13 LEU 28 3HD1 LEU 28 8.996 6.767 -7.346 230 HD21 LEU 28 3HD2 LEU 28 6.558 5.598 -4.850 231 HD22 LEU 28 1HD2 LEU 28 5.751 4.433 -5.900 232 HD23 LEU 28 2HD2 LEU 28 5.502 6.162 -6.145 233 H ASP 29 H ASP 29 7.528 2.682 -10.393 234 HA ASP 29 HA ASP 29 5.949 3.829 -12.509 235 HB2 ASP 29 2HB ASP 29 7.454 2.709 -14.021 236 HB3 ASP 29 1HB ASP 29 8.396 3.444 -12.730 237 H THR 30 H THR 30 5.509 1.210 -10.494 238 HA THR 30 HA THR 30 4.444 -0.676 -12.325 239 HB THR 30 HB THR 30 3.898 -0.350 -9.367 240 HG1 THR 30 HG1 THR 30 5.950 -1.459 -10.837 241 HG21 THR 30 3HG2 THR 30 3.307 -2.682 -11.192 242 HG22 THR 30 1HG2 THR 30 2.110 -1.615 -10.456 243 HG23 THR 30 2HG2 THR 30 3.100 -2.666 -9.443 244 H ARG 31 H ARG 31 2.975 0.072 -13.687 245 HA ARG 31 HA ARG 31 0.507 1.198 -12.563 246 HE ARG 31 HE ARG 31 -1.646 4.612 -14.564 247 HB2 ARG 31 2HB ARG 31 1.868 2.104 -14.675 248 HB3 ARG 31 1HB ARG 31 0.926 0.870 -15.501 249 HG2 ARG 31 2HG ARG 31 -0.171 3.014 -15.641 250 HG3 ARG 31 1HG ARG 31 -1.128 1.893 -14.671 251 HD2 ARG 31 2HD ARG 31 -0.343 2.912 -12.630 252 HD3 ARG 31 1HD ARG 31 0.755 3.955 -13.532 253 HH11 ARG 31 1HH1 ARG 31 -0.497 4.310 -11.265 254 HH12 ARG 31 2HH1 ARG 31 -1.528 5.567 -10.654 255 HH21 ARG 31 1HH2 ARG 31 -2.998 6.288 -13.764 256 HH22 ARG 31 2HH2 ARG 31 -2.957 6.685 -12.073 257 H ARG 32 H ARG 32 1.982 -1.483 -14.133 258 HA ARG 32 HA ARG 32 -0.421 -3.006 -14.512 259 HE ARG 32 HE ARG 32 1.438 -7.873 -15.246 260 HB2 ARG 32 2HB ARG 32 1.565 -3.418 -15.879 261 HB3 ARG 32 1HB ARG 32 2.497 -3.799 -14.445 262 HG2 ARG 32 2HG ARG 32 1.145 -5.787 -14.074 263 HG3 ARG 32 1HG ARG 32 0.175 -5.396 -15.500 264 HD2 ARG 32 2HD ARG 32 2.069 -5.637 -16.934 265 HD3 ARG 32 1HD ARG 32 3.156 -5.796 -15.558 266 HH11 ARG 32 1HH1 ARG 32 3.391 -6.750 -17.919 267 HH12 ARG 32 2HH1 ARG 32 3.695 -8.347 -18.536 268 HH21 ARG 32 1HH2 ARG 32 1.844 -9.969 -16.030 269 HH22 ARG 32 2HH2 ARG 32 2.832 -10.184 -17.451 270 H TRP 33 H TRP 33 -1.254 -2.540 -12.369 271 HA TRP 33 HA TRP 33 0.100 -3.454 -10.036 272 HD1 TRP 33 HD1 TRP 33 -2.071 -0.085 -11.258 273 HE1 TRP 33 HE1 TRP 33 -0.826 1.847 -10.095 274 HE3 TRP 33 HE3 TRP 33 -0.182 -2.635 -7.245 275 HZ2 TRP 33 HZ2 TRP 33 0.742 2.234 -7.784 276 HZ3 TRP 33 HZ3 TRP 33 1.180 -1.406 -5.607 277 HH2 TRP 33 HH2 TRP 33 1.634 0.976 -5.872 278 HB2 TRP 33 2HB TRP 33 -2.716 -2.524 -10.545 279 HB3 TRP 33 1HB TRP 33 -2.180 -3.071 -8.957 280 H VAL 34 H VAL 34 0.266 -5.396 -9.279 281 HA VAL 34 HA VAL 34 -1.773 -7.394 -9.942 282 HB VAL 34 HB VAL 34 -0.148 -9.078 -9.150 283 HG11 VAL 34 1HG1 VAL 34 0.918 -7.205 -11.263 284 HG12 VAL 34 2HG1 VAL 34 -0.206 -8.540 -11.514 285 HG13 VAL 34 3HG1 VAL 34 1.453 -8.865 -11.012 286 HG21 VAL 34 3HG2 VAL 34 1.746 -6.748 -8.890 287 HG22 VAL 34 1HG2 VAL 34 2.163 -8.449 -8.695 288 HG23 VAL 34 2HG2 VAL 34 1.065 -7.674 -7.554 289 H ALA 35 H ALA 35 -2.445 -8.831 -8.174 290 HA ALA 35 HA ALA 35 -3.590 -7.416 -6.093 291 HB1 ALA 35 3HB ALA 35 -4.397 -9.587 -6.853 292 HB2 ALA 35 1HB ALA 35 -4.150 -9.575 -5.107 293 HB3 ALA 35 2HB ALA 35 -2.978 -10.368 -6.159 294 H SER 36 H SER 36 -0.552 -9.229 -6.089 295 HA SER 36 HA SER 36 -0.083 -9.108 -3.316 296 HG SER 36 HG SER 36 2.540 -8.961 -3.148 297 HB2 SER 36 2HB SER 36 1.097 -10.630 -4.896 298 HB3 SER 36 1HB SER 36 1.989 -9.241 -5.520 299 H ARG 37 H ARG 37 0.699 -6.848 -5.918 300 HA ARG 37 HA ARG 37 2.284 -5.194 -4.160 301 HE ARG 37 HE ARG 37 5.781 -5.981 -7.092 302 HB2 ARG 37 2HB ARG 37 1.372 -4.768 -7.009 303 HB3 ARG 37 1HB ARG 37 2.378 -3.632 -6.117 304 HG2 ARG 37 2HG ARG 37 3.948 -5.614 -5.736 305 HG3 ARG 37 1HG ARG 37 3.035 -6.407 -7.017 306 HD2 ARG 37 2HD ARG 37 3.659 -4.758 -8.601 307 HD3 ARG 37 1HD ARG 37 4.330 -3.710 -7.348 308 HH11 ARG 37 1HH1 ARG 37 5.127 -3.824 -9.781 309 HH12 ARG 37 2HH1 ARG 37 6.576 -4.265 -10.637 310 HH21 ARG 37 1HH2 ARG 37 7.685 -6.529 -8.211 311 HH22 ARG 37 2HH2 ARG 37 8.017 -5.790 -9.752 312 H LYS 38 H LYS 38 -0.991 -5.274 -5.363 313 HA LYS 38 HA LYS 38 -1.819 -2.765 -4.373 314 HB2 LYS 38 2HB LYS 38 -3.327 -5.352 -4.753 315 HB3 LYS 38 1HB LYS 38 -4.094 -3.868 -4.214 316 HG2 LYS 38 2HG LYS 38 -3.309 -2.782 -6.308 317 HG3 LYS 38 1HG LYS 38 -2.748 -4.364 -6.855 318 HD2 LYS 38 2HD LYS 38 -4.976 -5.246 -6.772 319 HD3 LYS 38 1HD LYS 38 -5.580 -3.777 -6.009 320 HE2 LYS 38 2HE LYS 38 -4.976 -2.511 -8.038 321 HE3 LYS 38 1HE LYS 38 -4.459 -4.015 -8.797 322 HZ1 LYS 38 3HZ LYS 38 -6.725 -3.320 -9.419 323 HZ2 LYS 38 1HZ LYS 38 -7.213 -3.511 -7.808 324 HZ3 LYS 38 2HZ LYS 38 -6.681 -4.856 -8.693 325 H ALA 39 H ALA 39 -1.760 -5.991 -2.935 326 HA ALA 39 HA ALA 39 -2.830 -5.377 -0.441 327 HB1 ALA 39 3HB ALA 39 -0.751 -7.452 -1.121 328 HB2 ALA 39 1HB ALA 39 -2.499 -7.662 -1.218 329 HB3 ALA 39 2HB ALA 39 -1.727 -7.411 0.346 330 H ALA 40 H ALA 40 0.491 -5.165 -1.619 331 HA ALA 40 HA ALA 40 1.759 -4.601 0.812 332 HB1 ALA 40 3HB ALA 40 3.566 -3.675 -0.537 333 HB2 ALA 40 1HB ALA 40 2.504 -3.640 -1.945 334 HB3 ALA 40 2HB ALA 40 2.968 -5.182 -1.228 335 H VAL 41 H VAL 41 0.241 -2.435 -1.549 336 HA VAL 41 HA VAL 41 1.012 -0.036 -0.234 337 HB VAL 41 HB VAL 41 -1.236 -0.499 -2.199 338 HG11 VAL 41 1HG1 VAL 41 -1.565 1.564 -0.954 339 HG12 VAL 41 2HG1 VAL 41 -1.091 1.924 -2.614 340 HG13 VAL 41 3HG1 VAL 41 0.087 2.065 -1.309 341 HG21 VAL 41 3HG2 VAL 41 1.589 0.463 -2.639 342 HG22 VAL 41 1HG2 VAL 41 0.333 0.357 -3.870 343 HG23 VAL 41 2HG2 VAL 41 0.944 -1.109 -3.107 344 H VAL 42 H VAL 42 -2.044 -1.866 -0.318 345 HA VAL 42 HA VAL 42 -3.432 -0.005 1.298 346 HB VAL 42 HB VAL 42 -4.621 -1.533 -0.198 347 HG11 VAL 42 1HG1 VAL 42 -3.252 -3.527 0.086 348 HG12 VAL 42 2HG1 VAL 42 -4.957 -3.874 0.375 349 HG13 VAL 42 3HG1 VAL 42 -3.847 -3.706 1.735 350 HG21 VAL 42 3HG2 VAL 42 -5.356 -1.836 2.708 351 HG22 VAL 42 1HG2 VAL 42 -6.423 -2.183 1.349 352 HG23 VAL 42 2HG2 VAL 42 -5.852 -0.538 1.621 353 H LYS 43 H LYS 43 -1.698 -3.006 2.073 354 HA LYS 43 HA LYS 43 -2.488 -3.038 4.801 355 HB2 LYS 43 2HB LYS 43 -0.142 -4.336 3.404 356 HB3 LYS 43 1HB LYS 43 -0.527 -4.591 5.098 357 HG2 LYS 43 2HG LYS 43 -2.681 -5.551 4.485 358 HG3 LYS 43 1HG LYS 43 -2.331 -5.265 2.779 359 HD2 LYS 43 2HD LYS 43 -0.379 -6.759 2.953 360 HD3 LYS 43 1HD LYS 43 -0.781 -7.066 4.642 361 HE2 LYS 43 2HE LYS 43 -2.911 -8.037 3.971 362 HE3 LYS 43 1HE LYS 43 -2.551 -7.696 2.281 363 HZ1 LYS 43 3HZ LYS 43 -2.057 -9.979 2.713 364 HZ2 LYS 43 1HZ LYS 43 -1.113 -9.593 4.072 365 HZ3 LYS 43 2HZ LYS 43 -0.585 -9.171 2.520 366 H ALA 44 H ALA 44 0.041 -1.419 3.030 367 HA ALA 44 HA ALA 44 1.707 -0.709 5.179 368 HB1 ALA 44 3HB ALA 44 2.400 -0.475 2.850 369 HB2 ALA 44 1HB ALA 44 2.563 1.052 3.716 370 HB3 ALA 44 2HB ALA 44 1.207 0.801 2.616 371 H VAL 45 H VAL 45 -1.079 0.963 3.739 372 HA VAL 45 HA VAL 45 -0.918 3.208 5.483 373 HB VAL 45 HB VAL 45 -3.341 2.219 3.971 374 HG11 VAL 45 1HG1 VAL 45 -4.072 4.560 4.107 375 HG12 VAL 45 2HG1 VAL 45 -2.651 4.938 5.083 376 HG13 VAL 45 3HG1 VAL 45 -3.881 3.836 5.703 377 HG21 VAL 45 3HG2 VAL 45 -1.487 2.542 2.439 378 HG22 VAL 45 1HG2 VAL 45 -1.182 4.144 3.111 379 HG23 VAL 45 2HG2 VAL 45 -2.677 3.826 2.230 380 H ILE 46 H ILE 46 -2.785 0.207 5.517 381 HA ILE 46 HA ILE 46 -4.433 0.869 7.702 382 HB ILE 46 HB ILE 46 -3.599 -1.848 6.674 383 HG12 ILE 46 2HG1 ILE 46 -6.054 -0.141 6.180 384 HG13 ILE 46 1HG1 ILE 46 -4.773 -0.480 5.021 385 HG21 ILE 46 1HG2 ILE 46 -5.520 -2.747 7.867 386 HG22 ILE 46 2HG2 ILE 46 -5.885 -1.153 8.523 387 HG23 ILE 46 3HG2 ILE 46 -4.401 -1.981 8.994 388 HD11 ILE 46 3HD1 ILE 46 -6.658 -2.511 6.198 389 HD12 ILE 46 1HD1 ILE 46 -5.401 -2.827 5.001 390 HD13 ILE 46 2HD1 ILE 46 -6.774 -1.795 4.588 391 H HIS 47 H HIS 47 -1.165 -0.381 7.559 392 HA HIS 47 HA HIS 47 -1.173 -0.950 10.421 393 HD1 HIS 47 HD1 HIS 47 -1.152 -3.183 10.828 394 HD2 HIS 47 HD2 HIS 47 0.806 -3.702 7.199 395 HE1 HIS 47 HE1 HIS 47 -1.713 -5.515 10.079 396 HE2 HIS 47 HE2 HIS 47 -0.326 -5.869 8.015 397 HB2 HIS 47 2HB HIS 47 0.965 -1.263 8.316 398 HB3 HIS 47 1HB HIS 47 1.248 -1.565 10.026 399 H GLY 48 H GLY 48 -0.699 1.727 8.479 400 HA2 GLY 48 2HA GLY 48 -0.142 3.875 9.153 401 HA3 GLY 48 1HA GLY 48 0.363 3.227 10.707 402 H LEU 49 H LEU 49 1.574 1.874 7.756 403 HA LEU 49 HA LEU 49 4.289 2.617 8.382 404 HG LEU 49 HG LEU 49 5.406 2.219 5.580 405 HB2 LEU 49 2HB LEU 49 3.749 0.443 7.361 406 HB3 LEU 49 1HB LEU 49 3.090 1.260 5.958 407 HD11 LEU 49 1HD1 LEU 49 7.270 1.014 6.594 408 HD12 LEU 49 2HD1 LEU 49 6.140 0.091 7.581 409 HD13 LEU 49 3HD1 LEU 49 6.292 1.831 7.814 410 HD21 LEU 49 3HD2 LEU 49 5.006 -0.765 5.417 411 HD22 LEU 49 1HD2 LEU 49 6.227 0.151 4.538 412 HD23 LEU 49 2HD2 LEU 49 4.515 0.427 4.215 413 H ILE 50 H ILE 50 1.903 3.336 5.900 414 HA ILE 50 HA ILE 50 3.231 5.920 5.440 415 HB ILE 50 HB ILE 50 2.707 5.865 3.088 416 HG12 ILE 50 2HG1 ILE 50 1.616 3.074 3.429 417 HG13 ILE 50 1HG1 ILE 50 0.593 4.509 3.396 418 HG21 ILE 50 1HG2 ILE 50 4.096 3.981 2.307 419 HG22 ILE 50 2HG2 ILE 50 4.044 3.301 3.933 420 HG23 ILE 50 3HG2 ILE 50 4.819 4.860 3.653 421 HD11 ILE 50 3HD1 ILE 50 0.675 3.398 1.232 422 HD12 ILE 50 1HD1 ILE 50 2.425 3.615 1.185 423 HD13 ILE 50 2HD1 ILE 50 1.361 5.024 1.157 424 H THR 51 H THR 51 1.649 7.543 4.562 425 HA THR 51 HA THR 51 -0.931 7.127 5.846 426 HB THR 51 HB THR 51 0.026 9.227 6.411 427 HG1 THR 51 HG1 THR 51 -1.672 10.487 5.938 428 HG21 THR 51 3HG2 THR 51 1.617 9.465 4.587 429 HG22 THR 51 1HG2 THR 51 0.642 10.925 4.755 430 HG23 THR 51 2HG2 THR 51 0.297 9.779 3.460 431 H GLU 52 H GLU 52 -2.895 7.557 4.764 432 HA GLU 52 HA GLU 52 -3.114 6.142 2.355 433 HB2 GLU 52 2HB GLU 52 -4.825 6.689 4.288 434 HB3 GLU 52 1HB GLU 52 -5.245 8.040 3.246 435 HG2 GLU 52 2HG GLU 52 -5.977 6.628 1.526 436 HG3 GLU 52 1HG GLU 52 -5.206 5.215 2.247 437 H ARG 53 H ARG 53 -2.977 9.556 3.096 438 HA ARG 53 HA ARG 53 -3.674 10.543 0.541 439 HE ARG 53 HE ARG 53 -4.662 14.736 -0.132 440 HB2 ARG 53 2HB ARG 53 -3.222 11.659 3.007 441 HB3 ARG 53 1HB ARG 53 -1.796 12.174 2.115 442 HG2 ARG 53 2HG ARG 53 -4.646 12.627 1.260 443 HG3 ARG 53 1HG ARG 53 -3.604 13.825 2.024 444 HD2 ARG 53 2HD ARG 53 -2.086 13.751 0.143 445 HD3 ARG 53 1HD ARG 53 -3.029 12.463 -0.602 446 HH11 ARG 53 1HH1 ARG 53 -2.098 13.566 -2.194 447 HH12 ARG 53 2HH1 ARG 53 -2.557 14.539 -3.558 448 HH21 ARG 53 1HH2 ARG 53 -5.305 16.019 -1.932 449 HH22 ARG 53 2HH2 ARG 53 -4.390 15.936 -3.414 450 H GLU 54 H GLU 54 -0.678 9.461 1.995 451 HA GLU 54 HA GLU 54 1.065 10.445 -0.024 452 HB2 GLU 54 2HB GLU 54 1.964 9.885 2.158 453 HB3 GLU 54 1HB GLU 54 1.418 8.223 1.999 454 HG2 GLU 54 2HG GLU 54 2.991 7.831 0.218 455 HG3 GLU 54 1HG GLU 54 3.481 9.523 0.235 456 H ALA 55 H ALA 55 -0.561 7.355 0.542 457 HA ALA 55 HA ALA 55 0.678 5.894 -1.509 458 HB1 ALA 55 3HB ALA 55 -2.104 5.555 -0.395 459 HB2 ALA 55 1HB ALA 55 -0.631 4.840 0.259 460 HB3 ALA 55 2HB ALA 55 -1.212 4.357 -1.333 461 H LEU 56 H LEU 56 -2.280 7.825 -1.499 462 HA LEU 56 HA LEU 56 -3.040 7.274 -4.163 463 HG LEU 56 HG LEU 56 -4.270 7.743 -1.248 464 HB2 LEU 56 2HB LEU 56 -3.659 9.755 -2.563 465 HB3 LEU 56 1HB LEU 56 -4.572 9.119 -3.918 466 HD11 LEU 56 1HD1 LEU 56 -6.550 9.347 -2.390 467 HD12 LEU 56 2HD1 LEU 56 -5.568 9.744 -0.977 468 HD13 LEU 56 3HD1 LEU 56 -6.645 8.348 -0.940 469 HD21 LEU 56 3HD2 LEU 56 -6.034 7.110 -3.610 470 HD22 LEU 56 1HD2 LEU 56 -6.033 6.270 -2.059 471 HD23 LEU 56 2HD2 LEU 56 -4.614 6.197 -3.103 472 H ASP 57 H ASP 57 -0.877 9.621 -2.740 473 HA ASP 57 HA ASP 57 -0.740 11.260 -5.099 474 HB2 ASP 57 2HB ASP 57 -0.409 12.131 -2.773 475 HB3 ASP 57 1HB ASP 57 1.113 11.252 -2.714 476 H ARG 58 H ARG 58 1.524 9.058 -3.449 477 HA ARG 58 HA ARG 58 3.590 9.430 -5.352 478 HE ARG 58 HE ARG 58 5.178 4.940 -2.899 479 HB2 ARG 58 2HB ARG 58 4.750 7.612 -4.221 480 HB3 ARG 58 1HB ARG 58 4.044 8.718 -3.053 481 HG2 ARG 58 2HG ARG 58 2.152 7.128 -2.780 482 HG3 ARG 58 1HG ARG 58 3.012 5.997 -3.826 483 HD2 ARG 58 2HD ARG 58 4.091 7.123 -1.238 484 HD3 ARG 58 1HD ARG 58 3.326 5.545 -1.403 485 HH11 ARG 58 1HH1 ARG 58 5.616 7.659 -0.719 486 HH12 ARG 58 2HH1 ARG 58 7.345 7.545 -0.730 487 HH21 ARG 58 1HH2 ARG 58 7.459 4.774 -2.868 488 HH22 ARG 58 2HH2 ARG 58 8.394 5.881 -1.906 489 H TYR 59 H TYR 59 0.920 7.169 -5.208 490 HA TYR 59 HA TYR 59 2.068 5.715 -7.490 491 HD1 TYR 59 HD2 TYR 59 3.014 3.653 -6.986 492 HD2 TYR 59 HD1 TYR 59 0.492 4.230 -3.612 493 HE1 TYR 59 HE2 TYR 59 4.686 2.551 -5.558 494 HE2 TYR 59 HE1 TYR 59 2.154 3.126 -2.174 495 HH TYR 59 HH TYR 59 4.032 1.510 -2.424 496 HB2 TYR 59 2HB TYR 59 -0.227 4.978 -5.668 497 HB3 TYR 59 1HB TYR 59 0.309 4.017 -7.043 498 H SER 60 H SER 60 0.162 8.292 -7.002 499 HA SER 60 HA SER 60 -1.358 9.440 -8.237 500 HG SER 60 HG SER 60 1.155 8.956 -9.144 501 HB2 SER 60 2HB SER 60 -0.444 7.647 -10.498 502 HB3 SER 60 1HB SER 60 -1.197 9.237 -10.646 503 H LEU 61 H LEU 61 -2.690 7.918 -6.740 504 HA LEU 61 HA LEU 61 -4.588 6.392 -8.400 505 HG LEU 61 HG LEU 61 -2.156 5.030 -7.005 506 HB2 LEU 61 2HB LEU 61 -3.861 5.985 -5.494 507 HB3 LEU 61 1HB LEU 61 -5.101 5.095 -6.352 508 HD11 LEU 61 1HD1 LEU 61 -2.617 3.966 -4.873 509 HD12 LEU 61 2HD1 LEU 61 -2.234 2.755 -6.098 510 HD13 LEU 61 3HD1 LEU 61 -3.908 3.016 -5.609 511 HD21 LEU 61 3HD2 LEU 61 -4.446 3.386 -8.074 512 HD22 LEU 61 1HD2 LEU 61 -2.744 3.180 -8.478 513 HD23 LEU 61 2HD2 LEU 61 -3.590 4.653 -8.954 514 H SER 62 H SER 62 -6.687 6.139 -6.843 515 HA SER 62 HA SER 62 -7.388 8.783 -5.798 516 HG SER 62 HG SER 62 -8.455 9.597 -8.565 517 HB2 SER 62 2HB SER 62 -9.143 7.153 -7.657 518 HB3 SER 62 1HB SER 62 -9.518 8.739 -6.981 519 H GLU 63 H GLU 63 -9.356 8.696 -4.427 520 HA GLU 63 HA GLU 63 -9.313 6.768 -2.453 521 HB2 GLU 63 2HB GLU 63 -11.517 8.578 -3.403 522 HB3 GLU 63 1HB GLU 63 -11.748 7.486 -2.045 523 HG2 GLU 63 2HG GLU 63 -9.987 8.563 -0.824 524 HG3 GLU 63 1HG GLU 63 -9.621 9.606 -2.201 525 H GLU 64 H GLU 64 -11.436 6.917 -5.291 526 HA GLU 64 HA GLU 64 -13.039 4.725 -4.771 527 HB2 GLU 64 2HB GLU 64 -13.421 4.626 -7.204 528 HB3 GLU 64 1HB GLU 64 -13.511 6.266 -6.576 529 HG2 GLU 64 2HG GLU 64 -11.183 6.630 -7.357 530 HG3 GLU 64 1HG GLU 64 -11.227 5.031 -8.098 531 H GLU 65 H GLU 65 -9.823 4.818 -6.167 532 HA GLU 65 HA GLU 65 -9.726 2.082 -6.945 533 HB2 GLU 65 2HB GLU 65 -8.291 3.903 -7.877 534 HB3 GLU 65 1HB GLU 65 -7.451 3.984 -6.338 535 HG2 GLU 65 2HG GLU 65 -6.118 2.742 -7.859 536 HG3 GLU 65 1HG GLU 65 -6.754 1.629 -6.651 537 H PHE 66 H PHE 66 -8.170 3.855 -4.267 538 HA PHE 66 HA PHE 66 -7.079 1.583 -3.024 539 HD1 PHE 66 HD1 PHE 66 -4.507 2.666 -1.901 540 HD2 PHE 66 HD2 PHE 66 -7.963 3.174 0.533 541 HE1 PHE 66 HE1 PHE 66 -3.253 1.851 0.049 542 HE2 PHE 66 HE2 PHE 66 -6.707 2.358 2.484 543 HZ PHE 66 HZ PHE 66 -4.353 1.696 2.242 544 HB2 PHE 66 2HB PHE 66 -6.383 3.977 -2.670 545 HB3 PHE 66 1HB PHE 66 -7.820 4.183 -1.674 546 H ALA 67 H ALA 67 -10.189 3.175 -2.683 547 HA ALA 67 HA ALA 67 -11.072 1.899 -0.347 548 HB1 ALA 67 3HB ALA 67 -12.181 3.854 -1.358 549 HB2 ALA 67 1HB ALA 67 -13.309 2.536 -1.027 550 HB3 ALA 67 2HB ALA 67 -12.752 2.827 -2.675 551 H LEU 68 H LEU 68 -11.095 0.879 -3.720 552 HA LEU 68 HA LEU 68 -12.622 -1.490 -3.247 553 HG LEU 68 HG LEU 68 -12.717 0.691 -5.473 554 HB2 LEU 68 2HB LEU 68 -10.751 -0.775 -5.507 555 HB3 LEU 68 1HB LEU 68 -11.796 -2.181 -5.484 556 HD11 LEU 68 1HD1 LEU 68 -12.829 -1.409 -7.632 557 HD12 LEU 68 2HD1 LEU 68 -11.769 0.001 -7.610 558 HD13 LEU 68 3HD1 LEU 68 -13.516 0.212 -7.723 559 HD21 LEU 68 3HD2 LEU 68 -14.957 -0.243 -5.757 560 HD22 LEU 68 1HD2 LEU 68 -14.236 -0.755 -4.232 561 HD23 LEU 68 2HD2 LEU 68 -14.301 -1.872 -5.597 562 H TRP 69 H TRP 69 -9.174 -0.732 -3.516 563 HA TRP 69 HA TRP 69 -8.126 -3.300 -3.273 564 HD1 TRP 69 HD1 TRP 69 -8.296 -1.508 -5.263 565 HE1 TRP 69 HE1 TRP 69 -6.844 -0.755 -7.247 566 HE3 TRP 69 HE3 TRP 69 -3.853 -0.886 -2.811 567 HZ2 TRP 69 HZ2 TRP 69 -4.156 -0.010 -7.710 568 HZ3 TRP 69 HZ3 TRP 69 -1.889 -0.148 -4.095 569 HH2 TRP 69 HH2 TRP 69 -2.037 0.276 -6.497 570 HB2 TRP 69 2HB TRP 69 -7.024 -0.704 -2.178 571 HB3 TRP 69 1HB TRP 69 -6.115 -2.206 -2.272 572 H ARG 70 H ARG 70 -8.922 -0.989 -0.678 573 HA ARG 70 HA ARG 70 -8.117 -2.715 1.418 574 HE ARG 70 HE ARG 70 -9.694 0.909 3.949 575 HB2 ARG 70 2HB ARG 70 -8.961 -1.099 2.909 576 HB3 ARG 70 1HB ARG 70 -8.433 -0.175 1.512 577 HG2 ARG 70 2HG ARG 70 -10.926 -0.426 0.775 578 HG3 ARG 70 1HG ARG 70 -11.188 -0.722 2.495 579 HD2 ARG 70 2HD ARG 70 -10.012 1.719 1.192 580 HD3 ARG 70 1HD ARG 70 -11.512 1.599 2.107 581 HH11 ARG 70 1HH1 ARG 70 -9.946 3.589 1.727 582 HH12 ARG 70 2HH1 ARG 70 -8.942 4.655 2.668 583 HH21 ARG 70 1HH2 ARG 70 -8.370 2.308 5.223 584 HH22 ARG 70 2HH2 ARG 70 -8.017 3.912 4.626 585 H SER 71 H SER 71 -11.108 -2.361 -0.348 586 HA SER 71 HA SER 71 -12.701 -3.800 1.542 587 HG SER 71 HG SER 71 -14.958 -4.501 -0.401 588 HB2 SER 71 2HB SER 71 -13.512 -2.097 -0.186 589 HB3 SER 71 1HB SER 71 -13.356 -3.389 -1.373 590 H ALA 72 H ALA 72 -10.749 -4.630 -1.227 591 HA ALA 72 HA ALA 72 -11.833 -7.318 -1.362 592 HB1 ALA 72 3HB ALA 72 -11.244 -6.110 -3.422 593 HB2 ALA 72 1HB ALA 72 -10.354 -7.624 -3.258 594 HB3 ALA 72 2HB ALA 72 -9.558 -6.090 -2.913 595 H VAL 73 H VAL 73 -8.803 -5.739 -0.393 596 HA VAL 73 HA VAL 73 -7.513 -8.271 0.082 597 HB VAL 73 HB VAL 73 -6.576 -5.472 0.734 598 HG11 VAL 73 1HG1 VAL 73 -5.066 -8.085 0.732 599 HG12 VAL 73 2HG1 VAL 73 -5.483 -7.122 2.149 600 HG13 VAL 73 3HG1 VAL 73 -4.352 -6.488 0.954 601 HG21 VAL 73 3HG2 VAL 73 -6.856 -5.822 -1.656 602 HG22 VAL 73 1HG2 VAL 73 -5.910 -7.308 -1.569 603 HG23 VAL 73 2HG2 VAL 73 -5.143 -5.754 -1.250 604 H ALA 74 H ALA 74 -8.488 -5.549 2.195 605 HA ALA 74 HA ALA 74 -7.685 -6.947 4.554 606 HB1 ALA 74 3HB ALA 74 -8.579 -5.054 5.773 607 HB2 ALA 74 1HB ALA 74 -9.386 -4.472 4.316 608 HB3 ALA 74 2HB ALA 74 -7.627 -4.499 4.398 609 H ALA 75 H ALA 75 -10.776 -6.366 2.954 610 HA ALA 75 HA ALA 75 -12.208 -7.788 5.052 611 HB1 ALA 75 3HB ALA 75 -13.212 -5.786 4.083 612 HB2 ALA 75 1HB ALA 75 -14.218 -7.204 3.788 613 HB3 ALA 75 2HB ALA 75 -13.217 -6.549 2.493 614 H HIS 76 H HIS 76 -10.207 -9.087 3.241 615 HA HIS 76 HA HIS 76 -11.730 -10.906 1.604 616 HD1 HIS 76 HD1 HIS 76 -10.284 -11.475 -1.005 617 HD2 HIS 76 HD2 HIS 76 -8.605 -13.832 1.984 618 HE1 HIS 76 HE1 HIS 76 -9.856 -13.716 -2.064 619 HE2 HIS 76 HE2 HIS 76 -8.603 -15.023 -0.310 620 HB2 HIS 76 2HB HIS 76 -9.381 -10.161 1.084 621 HB3 HIS 76 1HB HIS 76 -8.830 -11.119 2.452 622 H GLY 77 H GLY 77 -10.785 -10.716 4.887 623 HA2 GLY 77 2HA GLY 77 -11.011 -13.537 5.467 624 HA3 GLY 77 1HA GLY 77 -10.931 -12.230 6.646 625 H GLU 78 H GLU 78 -13.117 -13.124 4.027 626 HA GLU 78 HA GLU 78 -15.399 -12.150 5.541 627 HB2 GLU 78 2HB GLU 78 -16.574 -12.435 3.388 628 HB3 GLU 78 1HB GLU 78 -15.111 -11.473 3.219 629 HG2 GLU 78 2HG GLU 78 -13.977 -13.687 2.579 630 HG3 GLU 78 1HG GLU 78 -15.614 -14.289 2.349 631 H LYS 79 H LYS 79 -13.864 -15.103 5.036 632 HA LYS 79 HA LYS 79 -16.294 -16.691 4.932 633 HB2 LYS 79 2HB LYS 79 -13.435 -17.657 5.050 634 HB3 LYS 79 1HB LYS 79 -14.849 -18.575 4.548 635 HG2 LYS 79 2HG LYS 79 -15.105 -17.189 2.587 636 HG3 LYS 79 1HG LYS 79 -13.771 -16.161 3.109 637 HD2 LYS 79 2HD LYS 79 -12.306 -18.207 3.023 638 HD3 LYS 79 1HD LYS 79 -13.649 -19.043 2.240 639 HE2 LYS 79 2HE LYS 79 -12.311 -16.534 1.225 640 HE3 LYS 79 1HE LYS 79 -12.025 -18.162 0.615 641 HZ1 LYS 79 3HZ LYS 79 -13.565 -16.976 -0.792 642 HZ2 LYS 79 1HZ LYS 79 -14.610 -16.694 0.512 643 HZ3 LYS 79 2HZ LYS 79 -14.357 -18.274 -0.046 644 H ALA 80 H ALA 80 -14.043 -15.530 7.214 645 HA ALA 80 HA ALA 80 -15.564 -16.687 9.369 646 HB1 ALA 80 3HB ALA 80 -12.635 -17.361 9.086 647 HB2 ALA 80 1HB ALA 80 -13.980 -18.491 8.951 648 HB3 ALA 80 2HB ALA 80 -13.638 -17.709 10.495 649 H LEU 81 H LEU 81 -16.004 -14.801 10.320 650 HA LEU 81 HA LEU 81 -14.064 -12.694 10.513 651 HG LEU 81 HG LEU 81 -15.558 -10.786 9.947 652 HB2 LEU 81 2HB LEU 81 -16.872 -13.055 11.460 653 HB3 LEU 81 1HB LEU 81 -15.892 -11.798 12.182 654 HD11 LEU 81 1HD1 LEU 81 -15.802 -12.789 8.581 655 HD12 LEU 81 2HD1 LEU 81 -16.930 -11.535 8.067 656 HD13 LEU 81 3HD1 LEU 81 -17.504 -12.900 9.027 657 HD21 LEU 81 3HD2 LEU 81 -17.354 -10.031 11.414 658 HD22 LEU 81 1HD2 LEU 81 -18.443 -11.224 10.706 659 HD23 LEU 81 2HD2 LEU 81 -17.813 -9.906 9.717 660 H LYS 82 H LYS 82 -12.401 -13.925 11.552 661 HA LYS 82 HA LYS 82 -12.595 -14.710 14.278 662 HB2 LYS 82 2HB LYS 82 -10.805 -15.436 12.680 663 HB3 LYS 82 1HB LYS 82 -10.155 -13.807 12.730 664 HG2 LYS 82 2HG LYS 82 -8.847 -15.189 14.160 665 HG3 LYS 82 1HG LYS 82 -9.787 -14.093 15.172 666 HD2 LYS 82 2HD LYS 82 -11.383 -15.853 15.646 667 HD3 LYS 82 1HD LYS 82 -10.539 -16.947 14.548 668 HE2 LYS 82 2HE LYS 82 -9.375 -15.737 17.053 669 HE3 LYS 82 1HE LYS 82 -9.995 -17.381 16.905 670 HZ1 LYS 82 3HZ LYS 82 -7.594 -17.318 16.698 671 HZ2 LYS 82 1HZ LYS 82 -7.702 -16.255 15.379 672 HZ3 LYS 82 2HZ LYS 82 -8.304 -17.840 15.247 673 H VAL 83 H VAL 83 -11.728 -13.517 16.134 674 HA VAL 83 HA VAL 83 -12.699 -10.954 16.403 675 HB VAL 83 HB VAL 83 -12.103 -12.351 18.318 676 HG11 VAL 83 1HG1 VAL 83 -10.033 -13.313 17.517 677 HG12 VAL 83 2HG1 VAL 83 -9.779 -12.533 19.077 678 HG13 VAL 83 3HG1 VAL 83 -9.242 -11.740 17.595 679 HG21 VAL 83 3HG2 VAL 83 -10.700 -9.680 18.293 680 HG22 VAL 83 1HG2 VAL 83 -11.115 -10.600 19.741 681 HG23 VAL 83 2HG2 VAL 83 -12.390 -9.979 18.693 682 H THR 84 H THR 84 -9.506 -11.943 15.324 683 HA THR 84 HA THR 84 -8.256 -9.437 15.305 684 HB THR 84 HB THR 84 -7.751 -11.689 13.357 685 HG1 THR 84 HG1 THR 84 -6.162 -12.277 15.105 686 HG21 THR 84 3HG2 THR 84 -6.524 -9.617 12.905 687 HG22 THR 84 1HG2 THR 84 -5.431 -10.888 13.458 688 HG23 THR 84 2HG2 THR 84 -5.924 -9.607 14.562 689 H MET 85 H MET 85 -10.383 -11.038 13.016 690 HA MET 85 HA MET 85 -9.878 -9.321 10.817 691 HB2 MET 85 2HB MET 85 -12.014 -11.330 11.470 692 HB3 MET 85 1HB MET 85 -12.193 -10.274 10.072 693 HG2 MET 85 2HG MET 85 -11.262 -12.422 9.443 694 HG3 MET 85 1HG MET 85 -10.113 -11.123 9.144 695 HE1 MET 85 3HE MET 85 -9.350 -14.240 9.205 696 HE2 MET 85 1HE MET 85 -7.828 -14.178 10.093 697 HE3 MET 85 2HE MET 85 -8.187 -12.954 8.873 698 H ILE 86 H ILE 86 -12.192 -9.294 13.477 699 HA ILE 86 HA ILE 86 -13.787 -7.171 12.491 700 HB ILE 86 HB ILE 86 -13.287 -8.053 15.342 701 HG12 ILE 86 2HG1 ILE 86 -15.865 -8.614 14.895 702 HG13 ILE 86 1HG1 ILE 86 -15.282 -8.712 13.237 703 HG21 ILE 86 1HG2 ILE 86 -15.187 -6.668 15.989 704 HG22 ILE 86 2HG2 ILE 86 -15.317 -6.060 14.337 705 HG23 ILE 86 3HG2 ILE 86 -13.890 -5.687 15.307 706 HD11 ILE 86 3HD1 ILE 86 -15.297 -10.886 14.295 707 HD12 ILE 86 1HD1 ILE 86 -14.232 -10.291 15.566 708 HD13 ILE 86 2HD1 ILE 86 -13.649 -10.388 13.903 709 H GLN 87 H GLN 87 -10.894 -7.279 14.509 710 HA GLN 87 HA GLN 87 -10.654 -4.528 15.005 711 HB2 GLN 87 2HB GLN 87 -9.292 -6.362 16.070 712 HB3 GLN 87 1HB GLN 87 -8.371 -6.464 14.575 713 HG2 GLN 87 2HG GLN 87 -7.842 -4.014 14.883 714 HG3 GLN 87 1HG GLN 87 -8.521 -4.168 16.503 715 HE21 GLN 87 1HE2 GLN 87 -7.476 -5.504 18.013 716 HE22 GLN 87 2HE2 GLN 87 -5.804 -5.927 17.829 717 H LYS 88 H LYS 88 -9.548 -6.546 12.322 718 HA LYS 88 HA LYS 88 -8.166 -4.525 10.921 719 HB2 LYS 88 2HB LYS 88 -9.520 -6.968 9.759 720 HB3 LYS 88 1HB LYS 88 -8.266 -6.010 8.987 721 HG2 LYS 88 2HG LYS 88 -7.990 -7.738 11.434 722 HG3 LYS 88 1HG LYS 88 -7.286 -8.013 9.841 723 HD2 LYS 88 2HD LYS 88 -5.519 -6.745 10.333 724 HD3 LYS 88 1HD LYS 88 -6.552 -5.413 10.860 725 HE2 LYS 88 2HE LYS 88 -6.811 -6.510 13.047 726 HE3 LYS 88 1HE LYS 88 -5.733 -7.797 12.513 727 HZ1 LYS 88 3HZ LYS 88 -4.634 -6.081 13.877 728 HZ2 LYS 88 1HZ LYS 88 -4.964 -4.939 12.670 729 HZ3 LYS 88 2HZ LYS 88 -3.941 -6.249 12.338 730 H TYR 89 H TYR 89 -11.526 -5.608 10.850 731 HA TYR 89 HA TYR 89 -12.383 -4.019 8.694 732 HD1 TYR 89 HD2 TYR 89 -12.800 -5.547 7.601 733 HD2 TYR 89 HD1 TYR 89 -15.113 -7.121 10.805 734 HE1 TYR 89 HE2 TYR 89 -13.012 -7.681 6.394 735 HE2 TYR 89 HE1 TYR 89 -15.327 -9.257 9.612 736 HH TYR 89 HH TYR 89 -13.435 -10.133 7.039 737 HB2 TYR 89 2HB TYR 89 -13.889 -5.089 11.087 738 HB3 TYR 89 1HB TYR 89 -14.670 -4.260 9.750 739 H ARG 90 H ARG 90 -11.972 -3.306 12.111 740 HA ARG 90 HA ARG 90 -13.355 -0.801 12.008 741 HE ARG 90 HE ARG 90 -15.007 -2.451 12.273 742 HB2 ARG 90 2HB ARG 90 -11.427 -1.903 14.055 743 HB3 ARG 90 1HB ARG 90 -12.363 -0.431 14.258 744 HG2 ARG 90 2HG ARG 90 -13.517 -3.193 13.903 745 HG3 ARG 90 1HG ARG 90 -13.331 -2.351 15.440 746 HD2 ARG 90 2HD ARG 90 -15.568 -2.015 14.843 747 HD3 ARG 90 1HD ARG 90 -14.763 -0.508 14.410 748 HH11 ARG 90 1HH1 ARG 90 -16.403 0.329 13.870 749 HH12 ARG 90 2HH1 ARG 90 -17.398 0.763 12.515 750 HH21 ARG 90 1HH2 ARG 90 -16.320 -1.873 10.478 751 HH22 ARG 90 2HH2 ARG 90 -17.329 -0.456 10.588 752 H GLN 91 H GLN 91 -9.959 -1.788 11.852 753 HA GLN 91 HA GLN 91 -9.083 0.968 11.691 754 HB2 GLN 91 2HB GLN 91 -6.819 0.043 11.551 755 HB3 GLN 91 1HB GLN 91 -7.708 -0.615 12.914 756 HG2 GLN 91 2HG GLN 91 -8.192 -2.626 11.494 757 HG3 GLN 91 1HG GLN 91 -7.065 -1.967 10.310 758 HE21 GLN 91 1HE2 GLN 91 -6.696 -1.741 13.811 759 HE22 GLN 91 2HE2 GLN 91 -5.286 -2.737 13.899 760 H LEU 92 H LEU 92 -10.274 -1.304 9.570 761 HA LEU 92 HA LEU 92 -8.989 -0.495 7.169 762 HG LEU 92 HG LEU 92 -10.407 -1.191 5.065 763 HB2 LEU 92 2HB LEU 92 -10.231 -2.578 7.297 764 HB3 LEU 92 1HB LEU 92 -11.698 -1.724 7.719 765 HD11 LEU 92 1HD1 LEU 92 -10.523 -3.618 5.218 766 HD12 LEU 92 2HD1 LEU 92 -11.742 -3.010 4.099 767 HD13 LEU 92 3HD1 LEU 92 -12.209 -3.518 5.722 768 HD21 LEU 92 3HD2 LEU 92 -12.289 0.198 5.786 769 HD22 LEU 92 1HD2 LEU 92 -13.268 -1.248 6.021 770 HD23 LEU 92 2HD2 LEU 92 -12.729 -0.802 4.401 771 H HIS 93 H HIS 93 -11.604 0.701 9.115 772 HA HIS 93 HA HIS 93 -12.512 2.597 7.139 773 HD1 HIS 93 HD1 HIS 93 -15.374 3.413 7.160 774 HD2 HIS 93 HD2 HIS 93 -13.860 4.802 10.778 775 HE1 HIS 93 HE1 HIS 93 -16.486 5.635 7.555 776 HE2 HIS 93 HE2 HIS 93 -15.723 6.338 9.854 777 HB2 HIS 93 2HB HIS 93 -14.141 1.604 8.655 778 HB3 HIS 93 1HB HIS 93 -13.256 2.217 10.048 779 H HIS 94 H HIS 94 -11.792 4.594 6.883 780 HA HIS 94 HA HIS 94 -10.284 5.840 9.087 781 HD1 HIS 94 HD1 HIS 94 -7.001 5.229 5.874 782 HD2 HIS 94 HD2 HIS 94 -8.524 4.731 9.721 783 HE1 HIS 94 HE1 HIS 94 -5.256 3.932 7.141 784 HE2 HIS 94 HE2 HIS 94 -6.247 3.531 9.420 785 HB2 HIS 94 2HB HIS 94 -9.605 5.695 6.169 786 HB3 HIS 94 1HB HIS 94 -9.078 7.076 7.121 787 H HIS 95 H HIS 95 -9.994 8.312 8.417 788 HA HIS 95 HA HIS 95 -12.141 9.555 7.047 789 HD1 HIS 95 HD1 HIS 95 -11.491 11.648 10.673 790 HD2 HIS 95 HD2 HIS 95 -12.438 7.649 11.304 791 HE1 HIS 95 HE1 HIS 95 -10.690 11.122 13.000 792 HE2 HIS 95 HE2 HIS 95 -11.321 8.711 13.385 793 HB2 HIS 95 2HB HIS 95 -13.258 10.602 8.980 794 HB3 HIS 95 1HB HIS 95 -13.426 8.852 9.029 Start of MODEL 11 1 HA MET 1 HA MET 1 3.781 18.076 12.330 2 H1 MET 1 1H MET 1 1.926 16.735 11.721 3 H2 MET 1 2H MET 1 3.244 15.725 12.062 4 H3 MET 1 3H MET 1 2.794 16.013 10.458 5 HB2 MET 1 2HB MET 1 5.510 16.405 11.704 6 HB3 MET 1 1HB MET 1 5.187 16.731 10.008 7 HG2 MET 1 2HG MET 1 7.212 17.849 10.863 8 HG3 MET 1 1HG MET 1 6.015 18.966 10.213 9 HE1 MET 1 3HE MET 1 8.454 19.887 12.018 10 HE2 MET 1 1HE MET 1 7.665 21.021 13.113 11 HE3 MET 1 2HE MET 1 7.242 21.010 11.402 12 H TYR 2 H TYR 2 4.450 20.048 11.040 13 HA TYR 2 HA TYR 2 2.332 21.031 9.497 14 HD1 TYR 2 HD2 TYR 2 1.800 23.526 9.846 15 HD2 TYR 2 HD1 TYR 2 5.493 23.446 7.734 16 HE1 TYR 2 HE2 TYR 2 1.076 25.459 8.513 17 HE2 TYR 2 HE1 TYR 2 4.774 25.378 6.396 18 HH TYR 2 HH TYR 2 2.081 27.280 7.226 19 HB2 TYR 2 2HB TYR 2 3.993 22.415 10.750 20 HB3 TYR 2 1HB TYR 2 5.198 22.012 9.533 21 H LEU 3 H LEU 3 1.870 20.958 7.377 22 HA LEU 3 HA LEU 3 1.919 20.361 5.182 23 HG LEU 3 HG LEU 3 3.936 22.637 5.784 24 HB2 LEU 3 2HB LEU 3 4.913 20.392 5.579 25 HB3 LEU 3 1HB LEU 3 4.123 20.188 4.027 26 HD11 LEU 3 1HD1 LEU 3 5.250 23.719 4.046 27 HD12 LEU 3 2HD1 LEU 3 5.368 22.196 3.169 28 HD13 LEU 3 3HD1 LEU 3 6.134 22.365 4.748 29 HD21 LEU 3 3HD2 LEU 3 1.895 22.290 4.514 30 HD22 LEU 3 1HD2 LEU 3 2.832 22.094 3.033 31 HD23 LEU 3 2HD2 LEU 3 2.807 23.651 3.861 32 H LYS 4 H LYS 4 1.606 18.457 7.210 33 HA LYS 4 HA LYS 4 1.422 16.240 7.567 34 HB2 LYS 4 2HB LYS 4 2.491 15.980 4.750 35 HB3 LYS 4 1HB LYS 4 1.875 14.644 5.713 36 HG2 LYS 4 2HG LYS 4 0.289 17.053 4.848 37 HG3 LYS 4 1HG LYS 4 0.220 15.452 4.111 38 HD2 LYS 4 2HD LYS 4 -0.591 14.511 6.213 39 HD3 LYS 4 1HD LYS 4 -0.499 16.105 6.968 40 HE2 LYS 4 2HE LYS 4 -2.234 15.369 4.612 41 HE3 LYS 4 1HE LYS 4 -2.788 15.545 6.276 42 HZ1 LYS 4 3HZ LYS 4 -1.549 17.717 4.664 43 HZ2 LYS 4 1HZ LYS 4 -2.197 17.867 6.224 44 HZ3 LYS 4 2HZ LYS 4 -3.214 17.525 4.913 45 H ARG 5 H ARG 5 4.252 15.990 5.472 46 HA ARG 5 HA ARG 5 6.384 15.331 5.812 47 HE ARG 5 HE ARG 5 8.086 17.872 6.216 48 HB2 ARG 5 2HB ARG 5 6.466 17.334 7.255 49 HB3 ARG 5 1HB ARG 5 5.975 16.349 8.625 50 HG2 ARG 5 2HG ARG 5 8.375 16.775 8.613 51 HG3 ARG 5 1HG ARG 5 8.016 15.057 8.469 52 HD2 ARG 5 2HD ARG 5 9.834 15.800 6.964 53 HD3 ARG 5 1HD ARG 5 8.460 15.110 6.103 54 HH11 ARG 5 1HH1 ARG 5 10.340 15.596 4.839 55 HH12 ARG 5 2HH1 ARG 5 10.672 16.554 3.433 56 HH21 ARG 5 1HH2 ARG 5 8.514 19.166 4.349 57 HH22 ARG 5 2HH2 ARG 5 9.634 18.591 3.150 58 H VAL 6 H VAL 6 7.172 13.350 5.993 59 HA VAL 6 HA VAL 6 5.559 11.418 7.431 60 HB VAL 6 HB VAL 6 7.910 10.940 5.589 61 HG11 VAL 6 1HG1 VAL 6 7.042 8.643 5.461 62 HG12 VAL 6 2HG1 VAL 6 5.815 9.049 6.659 63 HG13 VAL 6 3HG1 VAL 6 7.520 9.076 7.103 64 HG21 VAL 6 3HG2 VAL 6 6.047 12.059 4.457 65 HG22 VAL 6 1HG2 VAL 6 4.950 10.797 5.017 66 HG23 VAL 6 2HG2 VAL 6 6.249 10.403 3.890 67 H ASP 7 H ASP 7 6.011 11.164 9.514 68 HA ASP 7 HA ASP 7 8.715 10.234 10.150 69 HB2 ASP 7 2HB ASP 7 8.738 12.401 11.152 70 HB3 ASP 7 1HB ASP 7 7.101 12.206 11.775 71 H GLY 8 H GLY 8 8.578 8.215 10.829 72 HA2 GLY 8 2HA GLY 8 6.973 7.270 12.879 73 HA3 GLY 8 1HA GLY 8 6.089 6.975 11.386 74 HA PRO 9 HA PRO 9 8.757 3.305 11.885 75 HB2 PRO 9 2HB PRO 9 6.598 1.869 10.574 76 HB3 PRO 9 1HB PRO 9 7.227 1.668 12.211 77 HG2 PRO 9 2HG PRO 9 4.759 2.676 11.677 78 HG3 PRO 9 1HG PRO 9 5.698 3.111 13.117 79 HD2 PRO 9 2HD PRO 9 5.333 4.630 10.559 80 HD3 PRO 9 1HD PRO 9 5.358 5.228 12.233 81 H ARG 10 H ARG 10 10.136 2.515 10.398 82 HA ARG 10 HA ARG 10 9.669 3.191 7.598 83 HE ARG 10 HE ARG 10 13.861 4.653 10.002 84 HB2 ARG 10 2HB ARG 10 12.068 2.347 9.171 85 HB3 ARG 10 1HB ARG 10 12.050 2.084 7.433 86 HG2 ARG 10 2HG ARG 10 11.654 4.473 7.075 87 HG3 ARG 10 1HG ARG 10 11.692 4.734 8.821 88 HD2 ARG 10 2HD ARG 10 13.974 3.516 7.282 89 HD3 ARG 10 1HD ARG 10 13.828 5.247 7.580 90 HH11 ARG 10 1HH1 ARG 10 15.280 2.502 7.635 91 HH12 ARG 10 2HH1 ARG 10 16.422 1.817 8.747 92 HH21 ARG 10 1HH2 ARG 10 15.354 3.776 11.469 93 HH22 ARG 10 2HH2 ARG 10 16.459 2.534 10.947 94 H GLN 11 H GLN 11 9.189 0.642 9.709 95 HA GLN 11 HA GLN 11 8.282 -0.997 7.529 96 HB2 GLN 11 2HB GLN 11 9.481 -3.016 8.218 97 HB3 GLN 11 1HB GLN 11 10.586 -1.756 7.695 98 HG2 GLN 11 2HG GLN 11 11.150 -1.247 9.994 99 HG3 GLN 11 1HG GLN 11 9.967 -2.422 10.569 100 HE21 GLN 11 1HE2 GLN 11 11.496 -3.642 11.656 101 HE22 GLN 11 2HE2 GLN 11 12.646 -4.637 10.819 102 H VAL 12 H VAL 12 6.560 -2.165 8.035 103 HA VAL 12 HA VAL 12 5.767 -2.253 10.872 104 HB VAL 12 HB VAL 12 3.398 -2.275 10.049 105 HG11 VAL 12 1HG1 VAL 12 5.056 0.153 9.383 106 HG12 VAL 12 2HG1 VAL 12 4.357 -0.245 10.954 107 HG13 VAL 12 3HG1 VAL 12 3.305 0.144 9.592 108 HG21 VAL 12 3HG2 VAL 12 3.804 -2.995 7.757 109 HG22 VAL 12 1HG2 VAL 12 4.669 -1.494 7.426 110 HG23 VAL 12 2HG2 VAL 12 2.943 -1.458 7.788 111 H THR 13 H THR 13 4.267 -4.029 11.408 112 HA THR 13 HA THR 13 5.257 -6.486 10.162 113 HB THR 13 HB THR 13 3.564 -6.356 12.645 114 HG1 THR 13 HG1 THR 13 5.732 -5.005 12.439 115 HG21 THR 13 3HG2 THR 13 4.033 -8.564 11.656 116 HG22 THR 13 1HG2 THR 13 4.806 -8.383 13.230 117 HG23 THR 13 2HG2 THR 13 5.763 -8.234 11.757 118 H LEU 14 H LEU 14 3.943 -7.967 9.188 119 HA LEU 14 HA LEU 14 1.166 -7.170 8.694 120 HG LEU 14 HG LEU 14 2.452 -8.079 5.300 121 HB2 LEU 14 2HB LEU 14 2.923 -9.278 7.429 122 HB3 LEU 14 1HB LEU 14 1.223 -9.101 7.057 123 HD11 LEU 14 1HD1 LEU 14 0.462 -6.865 5.992 124 HD12 LEU 14 2HD1 LEU 14 1.707 -5.771 5.384 125 HD13 LEU 14 3HD1 LEU 14 1.430 -5.914 7.120 126 HD21 LEU 14 3HD2 LEU 14 4.574 -7.788 6.427 127 HD22 LEU 14 1HD2 LEU 14 3.890 -6.495 7.410 128 HD23 LEU 14 2HD2 LEU 14 4.057 -6.281 5.669 129 HA PRO 15 HA PRO 15 -0.431 -10.375 11.371 130 HB2 PRO 15 2HB PRO 15 -2.739 -10.991 10.053 131 HB3 PRO 15 1HB PRO 15 -2.554 -9.534 11.036 132 HG2 PRO 15 2HG PRO 15 -2.400 -9.859 8.073 133 HG3 PRO 15 1HG PRO 15 -3.138 -8.558 9.022 134 HD2 PRO 15 2HD PRO 15 -0.702 -8.329 7.830 135 HD3 PRO 15 1HD PRO 15 -1.129 -7.475 9.325 136 H ASP 16 H ASP 16 0.444 -10.731 8.145 137 HA ASP 16 HA ASP 16 0.055 -13.586 7.948 138 HB2 ASP 16 2HB ASP 16 1.731 -11.833 6.139 139 HB3 ASP 16 1HB ASP 16 0.982 -13.377 5.754 140 H GLY 17 H GLY 17 2.169 -11.618 9.544 141 HA2 GLY 17 2HA GLY 17 4.045 -12.221 10.778 142 HA3 GLY 17 1HA GLY 17 4.098 -13.748 9.908 143 H THR 18 H THR 18 3.820 -10.970 7.969 144 HA THR 18 HA THR 18 6.601 -11.282 7.094 145 HB THR 18 HB THR 18 4.527 -9.648 5.650 146 HG1 THR 18 HG1 THR 18 4.722 -12.484 5.785 147 HG21 THR 18 3HG2 THR 18 6.844 -11.356 4.720 148 HG22 THR 18 1HG2 THR 18 6.815 -9.591 4.805 149 HG23 THR 18 2HG2 THR 18 5.764 -10.440 3.670 150 H VAL 19 H VAL 19 7.667 -9.177 6.357 151 HA VAL 19 HA VAL 19 6.894 -6.942 8.112 152 HB VAL 19 HB VAL 19 9.673 -7.698 7.180 153 HG11 VAL 19 1HG1 VAL 19 10.447 -5.794 8.523 154 HG12 VAL 19 2HG1 VAL 19 8.772 -5.340 8.837 155 HG13 VAL 19 3HG1 VAL 19 9.410 -5.274 7.194 156 HG21 VAL 19 3HG2 VAL 19 10.123 -7.947 9.598 157 HG22 VAL 19 1HG2 VAL 19 8.916 -9.090 9.006 158 HG23 VAL 19 2HG2 VAL 19 8.411 -7.668 9.920 159 H LEU 20 H LEU 20 6.381 -5.108 7.121 160 HA LEU 20 HA LEU 20 7.018 -4.864 4.253 161 HG LEU 20 HG LEU 20 5.085 -2.168 4.298 162 HB2 LEU 20 2HB LEU 20 4.676 -5.149 4.481 163 HB3 LEU 20 1HB LEU 20 4.592 -4.037 5.832 164 HD11 LEU 20 1HD1 LEU 20 4.964 -2.546 1.874 165 HD12 LEU 20 2HD1 LEU 20 4.910 -4.287 2.156 166 HD13 LEU 20 3HD1 LEU 20 6.348 -3.367 2.598 167 HD21 LEU 20 3HD2 LEU 20 2.786 -2.751 4.829 168 HD22 LEU 20 1HD2 LEU 20 2.756 -3.904 3.494 169 HD23 LEU 20 2HD2 LEU 20 2.917 -2.178 3.166 170 H SER 21 H SER 21 8.678 -3.495 4.096 171 HA SER 21 HA SER 21 8.788 -1.178 5.858 172 HG SER 21 HG SER 21 10.808 -3.085 3.335 173 HB2 SER 21 2HB SER 21 11.053 -0.896 5.090 174 HB3 SER 21 1HB SER 21 10.820 -2.601 5.452 175 H ARG 22 H ARG 22 9.444 0.936 4.782 176 HA ARG 22 HA ARG 22 7.494 1.569 2.798 177 HE ARG 22 HE ARG 22 6.374 5.455 4.126 178 HB2 ARG 22 2HB ARG 22 9.808 3.226 3.815 179 HB3 ARG 22 1HB ARG 22 8.483 3.832 2.829 180 HG2 ARG 22 2HG ARG 22 6.921 3.133 4.651 181 HG3 ARG 22 1HG ARG 22 8.335 2.765 5.639 182 HD2 ARG 22 2HD ARG 22 7.635 4.937 6.256 183 HD3 ARG 22 1HD ARG 22 9.077 5.141 5.262 184 HH11 ARG 22 1HH1 ARG 22 9.605 6.656 4.709 185 HH12 ARG 22 2HH1 ARG 22 9.374 8.097 3.765 186 HH21 ARG 22 1HH2 ARG 22 6.056 7.361 2.869 187 HH22 ARG 22 2HH2 ARG 22 7.366 8.499 2.716 188 H ALA 23 H ALA 23 10.571 0.228 2.647 189 HA ALA 23 HA ALA 23 10.987 1.048 -0.129 190 HB1 ALA 23 3HB ALA 23 12.725 -0.609 1.693 191 HB2 ALA 23 1HB ALA 23 12.932 1.104 1.332 192 HB3 ALA 23 2HB ALA 23 13.141 -0.096 0.058 193 H ASP 24 H ASP 24 9.549 -1.443 1.673 194 HA ASP 24 HA ASP 24 9.845 -3.456 -0.395 195 HB2 ASP 24 2HB ASP 24 8.433 -3.382 2.250 196 HB3 ASP 24 1HB ASP 24 8.015 -4.618 1.067 197 H LEU 25 H LEU 25 7.974 -0.759 0.122 198 HA LEU 25 HA LEU 25 5.522 -1.488 -1.042 199 HG LEU 25 HG LEU 25 5.972 0.297 1.228 200 HB2 LEU 25 2HB LEU 25 7.018 1.116 -0.880 201 HB3 LEU 25 1HB LEU 25 5.455 0.991 -1.664 202 HD11 LEU 25 1HD1 LEU 25 6.259 2.700 0.772 203 HD12 LEU 25 2HD1 LEU 25 4.837 2.372 1.761 204 HD13 LEU 25 3HD1 LEU 25 4.652 2.738 0.047 205 HD21 LEU 25 3HD2 LEU 25 3.537 0.268 1.386 206 HD22 LEU 25 1HD2 LEU 25 4.113 -0.927 0.226 207 HD23 LEU 25 2HD2 LEU 25 3.416 0.590 -0.343 208 HA PRO 26 HA PRO 26 6.504 -2.362 -5.256 209 HB2 PRO 26 2HB PRO 26 4.233 -1.207 -6.391 210 HB3 PRO 26 1HB PRO 26 4.334 -2.852 -5.755 211 HG2 PRO 26 2HG PRO 26 3.283 -0.380 -4.454 212 HG3 PRO 26 1HG PRO 26 2.656 -2.038 -4.395 213 HD2 PRO 26 2HD PRO 26 4.020 -1.018 -2.342 214 HD3 PRO 26 1HD PRO 26 4.248 -2.712 -2.833 215 HA PRO 27 HA PRO 27 8.556 1.272 -6.601 216 HB2 PRO 27 2HB PRO 27 8.905 0.616 -9.243 217 HB3 PRO 27 1HB PRO 27 9.905 -0.001 -7.925 218 HG2 PRO 27 2HG PRO 27 7.605 -1.294 -9.328 219 HG3 PRO 27 1HG PRO 27 9.139 -2.007 -8.793 220 HD2 PRO 27 2HD PRO 27 6.851 -2.346 -7.415 221 HD3 PRO 27 1HD PRO 27 8.425 -2.211 -6.607 222 H LEU 28 H LEU 28 8.323 3.134 -7.890 223 HA LEU 28 HA LEU 28 5.640 3.918 -8.380 224 HG LEU 28 HG LEU 28 8.339 4.989 -6.916 225 HB2 LEU 28 2HB LEU 28 8.162 5.273 -9.341 226 HB3 LEU 28 1HB LEU 28 6.581 6.008 -9.149 227 HD11 LEU 28 1HD1 LEU 28 7.610 7.790 -7.753 228 HD12 LEU 28 2HD1 LEU 28 9.191 7.029 -7.916 229 HD13 LEU 28 3HD1 LEU 28 8.530 7.354 -6.313 230 HD21 LEU 28 3HD2 LEU 28 5.670 6.391 -6.813 231 HD22 LEU 28 1HD2 LEU 28 6.690 6.005 -5.426 232 HD23 LEU 28 2HD2 LEU 28 5.980 4.708 -6.386 233 H ASP 29 H ASP 29 8.074 2.440 -10.264 234 HA ASP 29 HA ASP 29 7.189 3.075 -12.867 235 HB2 ASP 29 2HB ASP 29 9.403 2.162 -12.453 236 HB3 ASP 29 1HB ASP 29 8.707 0.688 -11.796 237 H THR 30 H THR 30 5.916 1.001 -10.463 238 HA THR 30 HA THR 30 4.685 -0.931 -12.113 239 HB THR 30 HB THR 30 4.062 -0.023 -9.307 240 HG1 THR 30 HG1 THR 30 5.836 -1.793 -10.454 241 HG21 THR 30 3HG2 THR 30 2.067 -1.000 -10.385 242 HG22 THR 30 1HG2 THR 30 2.688 -2.003 -9.074 243 HG23 THR 30 2HG2 THR 30 3.003 -2.451 -10.750 244 H ARG 31 H ARG 31 3.243 -0.470 -13.616 245 HA ARG 31 HA ARG 31 0.974 1.232 -12.853 246 HE ARG 31 HE ARG 31 -2.446 2.244 -15.578 247 HB2 ARG 31 2HB ARG 31 2.038 1.878 -14.967 248 HB3 ARG 31 1HB ARG 31 1.807 0.248 -15.592 249 HG2 ARG 31 2HG ARG 31 0.126 1.769 -16.467 250 HG3 ARG 31 1HG ARG 31 -0.604 0.522 -15.454 251 HD2 ARG 31 2HD ARG 31 -0.337 2.281 -13.556 252 HD3 ARG 31 1HD ARG 31 -0.211 3.435 -14.885 253 HH11 ARG 31 1HH1 ARG 31 -1.380 3.207 -12.381 254 HH12 ARG 31 2HH1 ARG 31 -2.993 3.413 -11.763 255 HH21 ARG 31 1HH2 ARG 31 -4.592 2.475 -14.745 256 HH22 ARG 31 2HH2 ARG 31 -4.811 2.949 -13.080 257 H ARG 32 H ARG 32 1.868 -1.920 -14.184 258 HA ARG 32 HA ARG 32 -0.753 -2.993 -14.125 259 HE ARG 32 HE ARG 32 -0.729 -7.929 -14.710 260 HB2 ARG 32 2HB ARG 32 1.049 -3.983 -15.473 261 HB3 ARG 32 1HB ARG 32 1.904 -4.427 -14.002 262 HG2 ARG 32 2HG ARG 32 0.018 -5.867 -13.365 263 HG3 ARG 32 1HG ARG 32 -0.781 -5.456 -14.881 264 HD2 ARG 32 2HD ARG 32 1.058 -6.434 -16.132 265 HD3 ARG 32 1HD ARG 32 1.902 -6.803 -14.628 266 HH11 ARG 32 1HH1 ARG 32 2.578 -8.385 -15.758 267 HH12 ARG 32 2HH1 ARG 32 2.439 -10.115 -15.870 268 HH21 ARG 32 1HH2 ARG 32 -0.926 -10.200 -14.867 269 HH22 ARG 32 2HH2 ARG 32 0.437 -11.152 -15.382 270 H TRP 33 H TRP 33 -1.562 -2.364 -12.123 271 HA TRP 33 HA TRP 33 -0.412 -3.315 -9.687 272 HD1 TRP 33 HD1 TRP 33 -2.347 0.287 -11.060 273 HE1 TRP 33 HE1 TRP 33 -0.809 2.095 -10.060 274 HE3 TRP 33 HE3 TRP 33 -0.355 -2.397 -7.205 275 HZ2 TRP 33 HZ2 TRP 33 1.003 2.343 -7.906 276 HZ3 TRP 33 HZ3 TRP 33 1.270 -1.308 -5.719 277 HH2 TRP 33 HH2 TRP 33 1.938 1.013 -6.067 278 HB2 TRP 33 2HB TRP 33 -3.079 -2.085 -10.349 279 HB3 TRP 33 1HB TRP 33 -2.640 -2.585 -8.720 280 H VAL 34 H VAL 34 -0.200 -5.483 -9.633 281 HA VAL 34 HA VAL 34 -2.518 -7.185 -10.051 282 HB VAL 34 HB VAL 34 -1.013 -9.043 -9.425 283 HG11 VAL 34 1HG1 VAL 34 -1.141 -8.384 -11.752 284 HG12 VAL 34 2HG1 VAL 34 0.504 -8.882 -11.356 285 HG13 VAL 34 3HG1 VAL 34 0.111 -7.168 -11.501 286 HG21 VAL 34 3HG2 VAL 34 1.076 -6.890 -9.128 287 HG22 VAL 34 1HG2 VAL 34 1.373 -8.628 -9.080 288 HG23 VAL 34 2HG2 VAL 34 0.394 -7.862 -7.826 289 H ALA 35 H ALA 35 -2.842 -8.905 -8.235 290 HA ALA 35 HA ALA 35 -3.947 -7.564 -6.044 291 HB1 ALA 35 3HB ALA 35 -4.676 -9.779 -6.836 292 HB2 ALA 35 1HB ALA 35 -4.372 -9.745 -5.099 293 HB3 ALA 35 2HB ALA 35 -3.192 -10.479 -6.185 294 H SER 36 H SER 36 -0.873 -9.274 -6.352 295 HA SER 36 HA SER 36 -0.076 -9.242 -3.682 296 HG SER 36 HG SER 36 0.356 -11.219 -5.254 297 HB2 SER 36 2HB SER 36 1.835 -8.896 -5.984 298 HB3 SER 36 1HB SER 36 2.075 -9.792 -4.485 299 H ARG 37 H ARG 37 0.588 -6.881 -6.257 300 HA ARG 37 HA ARG 37 2.142 -5.173 -4.602 301 HE ARG 37 HE ARG 37 5.376 -5.180 -8.077 302 HB2 ARG 37 2HB ARG 37 0.906 -4.832 -7.324 303 HB3 ARG 37 1HB ARG 37 1.813 -3.543 -6.542 304 HG2 ARG 37 2HG ARG 37 3.772 -4.990 -6.415 305 HG3 ARG 37 1HG ARG 37 2.866 -6.290 -7.188 306 HD2 ARG 37 2HD ARG 37 2.710 -5.092 -9.222 307 HD3 ARG 37 1HD ARG 37 3.271 -3.600 -8.467 308 HH11 ARG 37 1HH1 ARG 37 3.439 -4.702 -10.964 309 HH12 ARG 37 2HH1 ARG 37 4.772 -4.968 -12.049 310 HH21 ARG 37 1HH2 ARG 37 7.113 -5.528 -9.507 311 HH22 ARG 37 2HH2 ARG 37 6.849 -5.454 -11.223 312 H LYS 38 H LYS 38 -1.240 -5.171 -5.613 313 HA LYS 38 HA LYS 38 -1.967 -2.690 -4.507 314 HB2 LYS 38 2HB LYS 38 -3.584 -5.208 -4.910 315 HB3 LYS 38 1HB LYS 38 -4.278 -3.700 -4.337 316 HG2 LYS 38 2HG LYS 38 -3.618 -2.603 -6.420 317 HG3 LYS 38 1HG LYS 38 -2.928 -4.124 -6.996 318 HD2 LYS 38 2HD LYS 38 -5.157 -5.171 -6.767 319 HD3 LYS 38 1HD LYS 38 -5.821 -3.607 -6.305 320 HE2 LYS 38 2HE LYS 38 -4.366 -4.015 -8.898 321 HE3 LYS 38 1HE LYS 38 -6.086 -4.345 -8.743 322 HZ1 LYS 38 3HZ LYS 38 -4.728 -1.733 -8.352 323 HZ2 LYS 38 1HZ LYS 38 -6.360 -2.012 -7.994 324 HZ3 LYS 38 2HZ LYS 38 -5.809 -2.156 -9.587 325 H ALA 39 H ALA 39 -1.849 -5.937 -3.112 326 HA ALA 39 HA ALA 39 -3.005 -5.339 -0.629 327 HB1 ALA 39 3HB ALA 39 -0.949 -7.457 -1.242 328 HB2 ALA 39 1HB ALA 39 -2.689 -7.618 -1.480 329 HB3 ALA 39 2HB ALA 39 -2.038 -7.419 0.146 330 H ALA 40 H ALA 40 0.377 -5.288 -1.683 331 HA ALA 40 HA ALA 40 1.564 -4.748 0.790 332 HB1 ALA 40 3HB ALA 40 3.475 -3.956 -0.462 333 HB2 ALA 40 1HB ALA 40 2.484 -3.762 -1.911 334 HB3 ALA 40 2HB ALA 40 2.795 -5.374 -1.264 335 H VAL 41 H VAL 41 0.205 -2.537 -1.625 336 HA VAL 41 HA VAL 41 1.021 -0.152 -0.330 337 HB VAL 41 HB VAL 41 -1.275 -0.574 -2.253 338 HG11 VAL 41 1HG1 VAL 41 -1.501 1.502 -0.972 339 HG12 VAL 41 2HG1 VAL 41 -1.138 1.822 -2.669 340 HG13 VAL 41 3HG1 VAL 41 0.128 1.973 -1.452 341 HG21 VAL 41 3HG2 VAL 41 0.899 -1.227 -3.167 342 HG22 VAL 41 1HG2 VAL 41 1.547 0.358 -2.750 343 HG23 VAL 41 2HG2 VAL 41 0.265 0.216 -3.955 344 H VAL 42 H VAL 42 -2.076 -1.919 -0.328 345 HA VAL 42 HA VAL 42 -3.382 -0.017 1.316 346 HB VAL 42 HB VAL 42 -4.617 -1.569 -0.146 347 HG11 VAL 42 1HG1 VAL 42 -5.050 -3.871 0.589 348 HG12 VAL 42 2HG1 VAL 42 -3.858 -3.672 1.871 349 HG13 VAL 42 3HG1 VAL 42 -3.355 -3.605 0.183 350 HG21 VAL 42 3HG2 VAL 42 -5.342 -1.716 2.772 351 HG22 VAL 42 1HG2 VAL 42 -6.430 -2.076 1.432 352 HG23 VAL 42 2HG2 VAL 42 -5.791 -0.446 1.635 353 H LYS 43 H LYS 43 -1.633 -3.016 2.058 354 HA LYS 43 HA LYS 43 -2.321 -3.048 4.814 355 HB2 LYS 43 2HB LYS 43 0.023 -4.271 3.352 356 HB3 LYS 43 1HB LYS 43 -0.313 -4.544 5.053 357 HG2 LYS 43 2HG LYS 43 -2.460 -5.562 4.472 358 HG3 LYS 43 1HG LYS 43 -2.119 -5.290 2.761 359 HD2 LYS 43 2HD LYS 43 -0.126 -6.717 2.945 360 HD3 LYS 43 1HD LYS 43 -0.490 -6.994 4.647 361 HE2 LYS 43 2HE LYS 43 -2.620 -8.039 4.006 362 HE3 LYS 43 1HE LYS 43 -2.220 -7.788 2.307 363 HZ1 LYS 43 3HZ LYS 43 -0.792 -9.537 4.248 364 HZ2 LYS 43 1HZ LYS 43 -0.205 -9.170 2.698 365 HZ3 LYS 43 2HZ LYS 43 -1.661 -10.017 2.873 366 H ALA 44 H ALA 44 0.055 -1.316 2.973 367 HA ALA 44 HA ALA 44 1.802 -0.603 5.071 368 HB1 ALA 44 3HB ALA 44 2.582 1.159 3.580 369 HB2 ALA 44 1HB ALA 44 1.185 0.899 2.531 370 HB3 ALA 44 2HB ALA 44 2.398 -0.366 2.718 371 H VAL 45 H VAL 45 -0.919 1.173 3.610 372 HA VAL 45 HA VAL 45 -0.843 3.316 5.468 373 HB VAL 45 HB VAL 45 -3.214 2.336 3.864 374 HG11 VAL 45 1HG1 VAL 45 -2.646 5.025 5.107 375 HG12 VAL 45 2HG1 VAL 45 -3.809 3.835 5.700 376 HG13 VAL 45 3HG1 VAL 45 -4.058 4.605 4.132 377 HG21 VAL 45 3HG2 VAL 45 -1.336 2.815 2.401 378 HG22 VAL 45 1HG2 VAL 45 -1.119 4.387 3.163 379 HG23 VAL 45 2HG2 VAL 45 -2.578 4.056 2.230 380 H ILE 46 H ILE 46 -2.585 0.292 5.291 381 HA ILE 46 HA ILE 46 -4.369 0.618 7.389 382 HB ILE 46 HB ILE 46 -3.225 -1.671 5.908 383 HG12 ILE 46 2HG1 ILE 46 -6.039 -0.849 6.642 384 HG13 ILE 46 1HG1 ILE 46 -5.204 -0.427 5.152 385 HG21 ILE 46 1HG2 ILE 46 -4.395 -3.323 7.294 386 HG22 ILE 46 2HG2 ILE 46 -4.701 -2.069 8.498 387 HG23 ILE 46 3HG2 ILE 46 -3.046 -2.559 8.133 388 HD11 ILE 46 3HD1 ILE 46 -6.004 -3.187 6.040 389 HD12 ILE 46 1HD1 ILE 46 -5.088 -2.817 4.580 390 HD13 ILE 46 2HD1 ILE 46 -6.742 -2.229 4.754 391 H HIS 47 H HIS 47 -0.976 -0.426 7.498 392 HA HIS 47 HA HIS 47 -1.237 -0.846 10.385 393 HD1 HIS 47 HD1 HIS 47 -1.149 -3.210 11.061 394 HD2 HIS 47 HD2 HIS 47 0.526 -3.753 7.289 395 HE1 HIS 47 HE1 HIS 47 -1.899 -5.485 10.305 396 HE2 HIS 47 HE2 HIS 47 -0.996 -5.726 7.970 397 HB2 HIS 47 2HB HIS 47 1.049 -1.413 8.499 398 HB3 HIS 47 1HB HIS 47 1.135 -1.646 10.241 399 H GLY 48 H GLY 48 -0.803 1.757 8.522 400 HA2 GLY 48 2HA GLY 48 -0.310 3.908 9.235 401 HA3 GLY 48 1HA GLY 48 0.279 3.239 10.746 402 H LEU 49 H LEU 49 1.602 1.795 7.974 403 HA LEU 49 HA LEU 49 4.245 2.674 8.503 404 HG LEU 49 HG LEU 49 5.288 2.422 5.600 405 HB2 LEU 49 2HB LEU 49 3.755 0.547 7.395 406 HB3 LEU 49 1HB LEU 49 3.034 1.398 6.044 407 HD11 LEU 49 1HD1 LEU 49 6.169 0.348 7.601 408 HD12 LEU 49 2HD1 LEU 49 6.257 2.098 7.803 409 HD13 LEU 49 3HD1 LEU 49 7.233 1.303 6.566 410 HD21 LEU 49 3HD2 LEU 49 5.078 -0.581 5.486 411 HD22 LEU 49 1HD2 LEU 49 6.169 0.419 4.526 412 HD23 LEU 49 2HD2 LEU 49 4.424 0.553 4.303 413 H ILE 50 H ILE 50 1.966 3.382 5.901 414 HA ILE 50 HA ILE 50 3.227 6.027 5.601 415 HB ILE 50 HB ILE 50 2.689 6.029 3.233 416 HG12 ILE 50 2HG1 ILE 50 1.797 3.158 3.514 417 HG13 ILE 50 1HG1 ILE 50 0.673 4.513 3.506 418 HG21 ILE 50 1HG2 ILE 50 4.867 5.153 3.844 419 HG22 ILE 50 2HG2 ILE 50 4.244 4.287 2.440 420 HG23 ILE 50 3HG2 ILE 50 4.188 3.536 4.036 421 HD11 ILE 50 3HD1 ILE 50 1.395 5.119 1.273 422 HD12 ILE 50 1HD1 ILE 50 0.837 3.446 1.326 423 HD13 ILE 50 2HD1 ILE 50 2.567 3.798 1.280 424 H THR 51 H THR 51 1.613 7.621 4.612 425 HA THR 51 HA THR 51 -0.928 7.213 5.958 426 HB THR 51 HB THR 51 0.064 9.347 6.366 427 HG1 THR 51 HG1 THR 51 -1.905 10.049 6.336 428 HG21 THR 51 3HG2 THR 51 -0.075 9.925 3.412 429 HG22 THR 51 1HG2 THR 51 1.400 9.499 4.278 430 HG23 THR 51 2HG2 THR 51 0.542 10.986 4.675 431 H GLU 52 H GLU 52 -2.920 7.547 4.954 432 HA GLU 52 HA GLU 52 -3.337 6.033 2.667 433 HB2 GLU 52 2HB GLU 52 -4.911 6.767 4.604 434 HB3 GLU 52 1HB GLU 52 -5.243 8.162 3.590 435 HG2 GLU 52 2HG GLU 52 -6.237 6.852 1.923 436 HG3 GLU 52 1HG GLU 52 -5.574 5.357 2.586 437 H ARG 53 H ARG 53 -3.040 9.500 3.105 438 HA ARG 53 HA ARG 53 -3.710 10.152 0.407 439 HE ARG 53 HE ARG 53 -7.008 11.265 2.475 440 HB2 ARG 53 2HB ARG 53 -2.453 11.760 2.629 441 HB3 ARG 53 1HB ARG 53 -2.871 12.430 1.058 442 HG2 ARG 53 2HG ARG 53 -4.810 11.147 2.975 443 HG3 ARG 53 1HG ARG 53 -4.596 12.885 2.744 444 HD2 ARG 53 2HD ARG 53 -5.565 12.860 0.656 445 HD3 ARG 53 1HD ARG 53 -5.175 11.165 0.378 446 HH11 ARG 53 1HH1 ARG 53 -6.862 12.085 -0.922 447 HH12 ARG 53 2HH1 ARG 53 -8.543 11.734 -1.220 448 HH21 ARG 53 1HH2 ARG 53 -9.210 10.732 2.087 449 HH22 ARG 53 2HH2 ARG 53 -9.881 10.941 0.492 450 H GLU 54 H GLU 54 -0.823 9.170 2.022 451 HA GLU 54 HA GLU 54 1.020 10.201 0.101 452 HB2 GLU 54 2HB GLU 54 1.756 9.455 2.353 453 HB3 GLU 54 1HB GLU 54 1.349 7.799 1.920 454 HG2 GLU 54 2HG GLU 54 2.992 7.977 0.046 455 HG3 GLU 54 1HG GLU 54 3.482 9.535 0.700 456 H ALA 55 H ALA 55 -0.632 7.106 0.572 457 HA ALA 55 HA ALA 55 0.574 5.713 -1.544 458 HB1 ALA 55 3HB ALA 55 -0.726 4.593 0.181 459 HB2 ALA 55 1HB ALA 55 -1.359 4.201 -1.416 460 HB3 ALA 55 2HB ALA 55 -2.199 5.371 -0.397 461 H LEU 56 H LEU 56 -2.345 7.702 -1.450 462 HA LEU 56 HA LEU 56 -3.095 7.264 -4.145 463 HG LEU 56 HG LEU 56 -4.320 7.625 -1.185 464 HB2 LEU 56 2HB LEU 56 -3.760 9.682 -2.470 465 HB3 LEU 56 1HB LEU 56 -4.663 9.043 -3.827 466 HD11 LEU 56 1HD1 LEU 56 -6.638 9.207 -2.280 467 HD12 LEU 56 2HD1 LEU 56 -5.649 9.606 -0.874 468 HD13 LEU 56 3HD1 LEU 56 -6.696 8.186 -0.842 469 HD21 LEU 56 3HD2 LEU 56 -4.650 6.109 -3.055 470 HD22 LEU 56 1HD2 LEU 56 -6.065 7.028 -3.570 471 HD23 LEU 56 2HD2 LEU 56 -6.087 6.161 -2.033 472 H ASP 57 H ASP 57 -0.816 9.408 -2.636 473 HA ASP 57 HA ASP 57 -0.628 11.115 -4.967 474 HB2 ASP 57 2HB ASP 57 -0.318 12.061 -2.726 475 HB3 ASP 57 1HB ASP 57 1.086 11.028 -2.478 476 H ARG 58 H ARG 58 1.584 8.888 -3.278 477 HA ARG 58 HA ARG 58 3.676 9.216 -5.139 478 HE ARG 58 HE ARG 58 4.957 4.843 -3.086 479 HB2 ARG 58 2HB ARG 58 4.741 7.303 -4.031 480 HB3 ARG 58 1HB ARG 58 4.125 8.473 -2.877 481 HG2 ARG 58 2HG ARG 58 2.159 7.030 -2.513 482 HG3 ARG 58 1HG ARG 58 2.872 5.837 -3.599 483 HD2 ARG 58 2HD ARG 58 4.275 6.870 -1.141 484 HD3 ARG 58 1HD ARG 58 3.235 5.448 -1.122 485 HH11 ARG 58 1HH1 ARG 58 5.499 6.059 0.170 486 HH12 ARG 58 2HH1 ARG 58 7.002 5.207 0.353 487 HH21 ARG 58 1HH2 ARG 58 6.922 3.710 -2.817 488 HH22 ARG 58 2HH2 ARG 58 7.813 3.872 -1.339 489 H TYR 59 H TYR 59 0.883 7.152 -5.197 490 HA TYR 59 HA TYR 59 2.042 5.775 -7.535 491 HD1 TYR 59 HD2 TYR 59 3.197 3.898 -6.997 492 HD2 TYR 59 HD1 TYR 59 0.481 3.909 -3.725 493 HE1 TYR 59 HE2 TYR 59 4.905 2.841 -5.585 494 HE2 TYR 59 HE1 TYR 59 2.189 2.856 -2.301 495 HH TYR 59 HH TYR 59 4.270 1.410 -2.676 496 HB2 TYR 59 2HB TYR 59 -0.188 4.832 -5.723 497 HB3 TYR 59 1HB TYR 59 0.425 3.965 -7.126 498 H SER 60 H SER 60 0.215 8.302 -6.904 499 HA SER 60 HA SER 60 -1.585 9.369 -7.757 500 HG SER 60 HG SER 60 -0.423 7.027 -9.987 501 HB2 SER 60 2HB SER 60 -1.765 9.245 -10.286 502 HB3 SER 60 1HB SER 60 -0.202 9.738 -9.644 503 H LEU 61 H LEU 61 -2.731 7.746 -6.388 504 HA LEU 61 HA LEU 61 -4.510 6.036 -7.989 505 HG LEU 61 HG LEU 61 -2.015 5.032 -6.421 506 HB2 LEU 61 2HB LEU 61 -3.875 5.918 -5.037 507 HB3 LEU 61 1HB LEU 61 -4.974 4.849 -5.881 508 HD11 LEU 61 1HD1 LEU 61 -2.449 4.150 -4.196 509 HD12 LEU 61 2HD1 LEU 61 -1.878 2.876 -5.272 510 HD13 LEU 61 3HD1 LEU 61 -3.590 2.985 -4.868 511 HD21 LEU 61 3HD2 LEU 61 -4.118 3.101 -7.391 512 HD22 LEU 61 1HD2 LEU 61 -2.385 2.954 -7.681 513 HD23 LEU 61 2HD2 LEU 61 -3.282 4.313 -8.361 514 H SER 62 H SER 62 -6.719 6.175 -7.662 515 HA SER 62 HA SER 62 -7.630 8.698 -6.561 516 HG SER 62 HG SER 62 -7.825 8.856 -8.917 517 HB2 SER 62 2HB SER 62 -9.176 6.530 -8.012 518 HB3 SER 62 1HB SER 62 -9.747 8.161 -7.655 519 H GLU 63 H GLU 63 -9.436 8.782 -5.128 520 HA GLU 63 HA GLU 63 -9.082 7.306 -2.808 521 HB2 GLU 63 2HB GLU 63 -10.154 9.573 -3.130 522 HB3 GLU 63 1HB GLU 63 -11.603 8.726 -3.650 523 HG2 GLU 63 2HG GLU 63 -11.798 7.666 -1.512 524 HG3 GLU 63 1HG GLU 63 -10.278 8.392 -0.988 525 H GLU 64 H GLU 64 -11.409 6.943 -5.440 526 HA GLU 64 HA GLU 64 -12.868 4.819 -4.241 527 HB2 GLU 64 2HB GLU 64 -13.674 4.420 -6.628 528 HB3 GLU 64 1HB GLU 64 -14.024 5.989 -5.924 529 HG2 GLU 64 2HG GLU 64 -11.580 5.652 -7.593 530 HG3 GLU 64 1HG GLU 64 -13.155 5.781 -8.372 531 H GLU 65 H GLU 65 -10.010 4.966 -6.239 532 HA GLU 65 HA GLU 65 -9.829 2.245 -6.959 533 HB2 GLU 65 2HB GLU 65 -8.480 4.030 -7.999 534 HB3 GLU 65 1HB GLU 65 -7.633 4.281 -6.483 535 HG2 GLU 65 2HG GLU 65 -6.190 3.048 -7.867 536 HG3 GLU 65 1HG GLU 65 -6.810 1.918 -6.669 537 H PHE 66 H PHE 66 -8.223 4.052 -4.335 538 HA PHE 66 HA PHE 66 -7.069 1.807 -3.092 539 HD1 PHE 66 HD2 PHE 66 -4.540 2.871 -2.026 540 HD2 PHE 66 HD1 PHE 66 -7.923 3.441 0.488 541 HE1 PHE 66 HE2 PHE 66 -3.233 2.081 -0.099 542 HE2 PHE 66 HE1 PHE 66 -6.622 2.657 2.421 543 HZ PHE 66 HZ PHE 66 -4.276 1.975 2.127 544 HB2 PHE 66 2HB PHE 66 -6.432 4.222 -2.737 545 HB3 PHE 66 1HB PHE 66 -7.861 4.383 -1.722 546 H ALA 67 H ALA 67 -10.218 3.329 -2.731 547 HA ALA 67 HA ALA 67 -11.101 2.014 -0.424 548 HB1 ALA 67 3HB ALA 67 -12.315 3.876 -1.451 549 HB2 ALA 67 1HB ALA 67 -13.361 2.476 -1.213 550 HB3 ALA 67 2HB ALA 67 -12.735 2.846 -2.819 551 H LEU 68 H LEU 68 -11.150 1.026 -3.820 552 HA LEU 68 HA LEU 68 -12.536 -1.407 -3.434 553 HG LEU 68 HG LEU 68 -12.464 0.837 -5.605 554 HB2 LEU 68 2HB LEU 68 -10.517 -0.678 -5.557 555 HB3 LEU 68 1HB LEU 68 -11.605 -2.052 -5.617 556 HD11 LEU 68 1HD1 LEU 68 -12.392 -1.187 -7.836 557 HD12 LEU 68 2HD1 LEU 68 -11.339 0.219 -7.674 558 HD13 LEU 68 3HD1 LEU 68 -13.070 0.437 -7.937 559 HD21 LEU 68 3HD2 LEU 68 -14.681 -0.035 -6.093 560 HD22 LEU 68 1HD2 LEU 68 -14.090 -0.670 -4.558 561 HD23 LEU 68 2HD2 LEU 68 -14.067 -1.686 -6.000 562 H TRP 69 H TRP 69 -9.075 -0.613 -3.571 563 HA TRP 69 HA TRP 69 -8.008 -3.170 -3.420 564 HD1 TRP 69 HD1 TRP 69 -8.204 -1.177 -5.261 565 HE1 TRP 69 HE1 TRP 69 -6.755 -0.298 -7.196 566 HE3 TRP 69 HE3 TRP 69 -3.730 -0.873 -2.815 567 HZ2 TRP 69 HZ2 TRP 69 -4.046 0.389 -7.624 568 HZ3 TRP 69 HZ3 TRP 69 -1.756 -0.101 -4.062 569 HH2 TRP 69 HH2 TRP 69 -1.913 0.511 -6.415 570 HB2 TRP 69 2HB TRP 69 -6.934 -0.639 -2.153 571 HB3 TRP 69 1HB TRP 69 -6.015 -2.125 -2.342 572 H ARG 70 H ARG 70 -8.938 -1.051 -0.724 573 HA ARG 70 HA ARG 70 -8.101 -2.937 1.248 574 HE ARG 70 HE ARG 70 -9.467 0.342 4.037 575 HB2 ARG 70 2HB ARG 70 -8.971 -1.429 2.874 576 HB3 ARG 70 1HB ARG 70 -8.231 -0.459 1.611 577 HG2 ARG 70 2HG ARG 70 -10.619 -0.302 0.653 578 HG3 ARG 70 1HG ARG 70 -11.121 -0.815 2.266 579 HD2 ARG 70 2HD ARG 70 -9.604 1.645 1.470 580 HD3 ARG 70 1HD ARG 70 -11.153 1.537 2.304 581 HH11 ARG 70 1HH1 ARG 70 -9.385 3.384 2.334 582 HH12 ARG 70 2HH1 ARG 70 -8.402 4.192 3.527 583 HH21 ARG 70 1HH2 ARG 70 -8.178 1.407 5.652 584 HH22 ARG 70 2HH2 ARG 70 -7.722 3.066 5.392 585 H SER 71 H SER 71 -11.109 -2.324 -0.433 586 HA SER 71 HA SER 71 -12.693 -3.936 1.334 587 HG SER 71 HG SER 71 -13.177 -1.165 -0.368 588 HB2 SER 71 2HB SER 71 -13.303 -3.000 -1.482 589 HB3 SER 71 1HB SER 71 -14.469 -3.651 -0.326 590 H ALA 72 H ALA 72 -10.575 -4.554 -1.290 591 HA ALA 72 HA ALA 72 -11.669 -7.220 -1.733 592 HB1 ALA 72 3HB ALA 72 -9.319 -5.833 -3.018 593 HB2 ALA 72 1HB ALA 72 -10.954 -5.928 -3.673 594 HB3 ALA 72 2HB ALA 72 -9.988 -7.393 -3.501 595 H VAL 73 H VAL 73 -8.740 -5.679 -0.452 596 HA VAL 73 HA VAL 73 -7.539 -8.269 0.102 597 HB VAL 73 HB VAL 73 -6.466 -5.493 0.628 598 HG11 VAL 73 1HG1 VAL 73 -5.459 -7.127 2.110 599 HG12 VAL 73 2HG1 VAL 73 -4.294 -6.620 0.886 600 HG13 VAL 73 3HG1 VAL 73 -5.102 -8.180 0.743 601 HG21 VAL 73 3HG2 VAL 73 -5.886 -7.433 -1.606 602 HG22 VAL 73 1HG2 VAL 73 -5.037 -5.913 -1.326 603 HG23 VAL 73 2HG2 VAL 73 -6.751 -5.904 -1.746 604 H ALA 74 H ALA 74 -8.481 -5.392 2.008 605 HA ALA 74 HA ALA 74 -7.763 -6.683 4.470 606 HB1 ALA 74 3HB ALA 74 -9.302 -4.128 4.057 607 HB2 ALA 74 1HB ALA 74 -7.547 -4.255 4.172 608 HB3 ALA 74 2HB ALA 74 -8.555 -4.674 5.559 609 H ALA 75 H ALA 75 -10.677 -6.259 2.618 610 HA ALA 75 HA ALA 75 -12.331 -7.334 4.760 611 HB1 ALA 75 3HB ALA 75 -13.093 -6.530 1.951 612 HB2 ALA 75 1HB ALA 75 -13.228 -5.514 3.385 613 HB3 ALA 75 2HB ALA 75 -14.208 -6.973 3.246 614 H HIS 76 H HIS 76 -10.185 -8.697 2.842 615 HA HIS 76 HA HIS 76 -11.672 -10.910 1.777 616 HD1 HIS 76 HD1 HIS 76 -9.106 -11.505 -1.051 617 HD2 HIS 76 HD2 HIS 76 -9.720 -13.767 2.388 618 HE1 HIS 76 HE1 HIS 76 -9.060 -13.906 -1.793 619 HE2 HIS 76 HE2 HIS 76 -9.602 -15.246 0.268 620 HB2 HIS 76 2HB HIS 76 -9.404 -10.084 0.935 621 HB3 HIS 76 1HB HIS 76 -8.705 -10.838 2.359 622 H GLY 77 H GLY 77 -12.575 -12.407 3.027 623 HA2 GLY 77 2HA GLY 77 -12.265 -14.174 4.669 624 HA3 GLY 77 1HA GLY 77 -11.253 -13.064 5.587 625 H GLU 78 H GLU 78 -14.058 -11.731 4.141 626 HA GLU 78 HA GLU 78 -15.199 -11.006 6.635 627 HB2 GLU 78 2HB GLU 78 -17.036 -10.081 5.289 628 HB3 GLU 78 1HB GLU 78 -15.464 -9.606 4.659 629 HG2 GLU 78 2HG GLU 78 -15.641 -11.334 2.934 630 HG3 GLU 78 1HG GLU 78 -17.224 -11.791 3.562 631 H LYS 79 H LYS 79 -15.201 -13.885 5.045 632 HA LYS 79 HA LYS 79 -17.874 -14.717 5.834 633 HB2 LYS 79 2HB LYS 79 -15.649 -16.254 4.474 634 HB3 LYS 79 1HB LYS 79 -17.301 -16.817 4.698 635 HG2 LYS 79 2HG LYS 79 -18.161 -15.268 3.180 636 HG3 LYS 79 1HG LYS 79 -16.697 -14.286 3.220 637 HD2 LYS 79 2HD LYS 79 -15.472 -16.148 2.138 638 HD3 LYS 79 1HD LYS 79 -16.995 -17.032 2.006 639 HE2 LYS 79 2HE LYS 79 -17.919 -15.359 0.574 640 HE3 LYS 79 1HE LYS 79 -16.552 -14.285 0.856 641 HZ1 LYS 79 3HZ LYS 79 -16.412 -15.389 -1.286 642 HZ2 LYS 79 1HZ LYS 79 -16.419 -16.908 -0.531 643 HZ3 LYS 79 2HZ LYS 79 -15.121 -15.842 -0.283 644 H ALA 80 H ALA 80 -14.958 -14.364 7.302 645 HA ALA 80 HA ALA 80 -15.747 -16.051 9.508 646 HB1 ALA 80 3HB ALA 80 -14.454 -17.622 8.128 647 HB2 ALA 80 1HB ALA 80 -13.656 -17.278 9.662 648 HB3 ALA 80 2HB ALA 80 -13.077 -16.519 8.181 649 H LEU 81 H LEU 81 -15.909 -14.174 10.685 650 HA LEU 81 HA LEU 81 -13.853 -12.190 10.641 651 HG LEU 81 HG LEU 81 -15.291 -10.207 10.567 652 HB2 LEU 81 2HB LEU 81 -16.399 -12.532 12.155 653 HB3 LEU 81 1HB LEU 81 -15.214 -11.390 12.753 654 HD11 LEU 81 1HD1 LEU 81 -17.560 -12.104 9.978 655 HD12 LEU 81 2HD1 LEU 81 -16.005 -12.046 9.148 656 HD13 LEU 81 3HD1 LEU 81 -17.125 -10.690 9.019 657 HD21 LEU 81 3HD2 LEU 81 -16.624 -9.430 12.442 658 HD22 LEU 81 1HD2 LEU 81 -17.935 -10.518 11.982 659 HD23 LEU 81 2HD2 LEU 81 -17.484 -9.182 10.923 660 H LYS 82 H LYS 82 -12.052 -13.525 11.177 661 HA LYS 82 HA LYS 82 -11.620 -14.320 13.891 662 HB2 LYS 82 2HB LYS 82 -10.255 -15.204 12.036 663 HB3 LYS 82 1HB LYS 82 -9.663 -13.586 11.690 664 HG2 LYS 82 2HG LYS 82 -8.573 -13.530 13.884 665 HG3 LYS 82 1HG LYS 82 -9.145 -15.172 14.196 666 HD2 LYS 82 2HD LYS 82 -7.887 -15.981 12.262 667 HD3 LYS 82 1HD LYS 82 -7.326 -14.337 11.938 668 HE2 LYS 82 2HE LYS 82 -6.199 -14.298 14.110 669 HE3 LYS 82 1HE LYS 82 -6.764 -15.937 14.435 670 HZ1 LYS 82 3HZ LYS 82 -5.516 -16.682 12.474 671 HZ2 LYS 82 1HZ LYS 82 -4.508 -15.981 13.641 672 HZ3 LYS 82 2HZ LYS 82 -4.922 -15.107 12.255 673 H VAL 83 H VAL 83 -10.226 -13.111 15.436 674 HA VAL 83 HA VAL 83 -11.003 -10.489 15.837 675 HB VAL 83 HB VAL 83 -9.950 -11.841 17.591 676 HG11 VAL 83 1HG1 VAL 83 -7.371 -11.361 16.106 677 HG12 VAL 83 2HG1 VAL 83 -8.204 -12.907 16.269 678 HG13 VAL 83 3HG1 VAL 83 -7.523 -12.118 17.692 679 HG21 VAL 83 3HG2 VAL 83 -8.562 -10.081 18.601 680 HG22 VAL 83 1HG2 VAL 83 -10.044 -9.439 17.897 681 HG23 VAL 83 2HG2 VAL 83 -8.512 -9.248 17.048 682 H THR 84 H THR 84 -8.325 -11.711 13.965 683 HA THR 84 HA THR 84 -6.976 -9.290 13.479 684 HB THR 84 HB THR 84 -7.086 -11.654 11.622 685 HG1 THR 84 HG1 THR 84 -5.495 -11.355 13.987 686 HG21 THR 84 3HG2 THR 84 -4.875 -9.718 12.329 687 HG22 THR 84 1HG2 THR 84 -5.806 -9.721 10.832 688 HG23 THR 84 2HG2 THR 84 -4.732 -11.070 11.208 689 H MET 85 H MET 85 -9.883 -10.616 12.186 690 HA MET 85 HA MET 85 -9.845 -9.081 9.750 691 HB2 MET 85 2HB MET 85 -11.776 -10.923 11.079 692 HB3 MET 85 1HB MET 85 -12.417 -9.769 9.921 693 HG2 MET 85 2HG MET 85 -11.935 -11.966 8.937 694 HG3 MET 85 1HG MET 85 -11.024 -10.662 8.180 695 HE1 MET 85 3HE MET 85 -8.620 -13.760 7.966 696 HE2 MET 85 1HE MET 85 -9.485 -12.524 7.052 697 HE3 MET 85 2HE MET 85 -10.382 -13.800 7.876 698 H ILE 86 H ILE 86 -11.277 -8.815 12.957 699 HA ILE 86 HA ILE 86 -12.976 -6.632 12.342 700 HB ILE 86 HB ILE 86 -11.873 -7.549 15.000 701 HG12 ILE 86 2HG1 ILE 86 -14.417 -8.100 15.238 702 HG13 ILE 86 1HG1 ILE 86 -14.418 -8.003 13.481 703 HG21 ILE 86 1HG2 ILE 86 -13.536 -6.088 16.045 704 HG22 ILE 86 2HG2 ILE 86 -13.973 -5.457 14.456 705 HG23 ILE 86 3HG2 ILE 86 -12.360 -5.165 15.105 706 HD11 ILE 86 3HD1 ILE 86 -14.187 -10.291 14.259 707 HD12 ILE 86 1HD1 ILE 86 -12.715 -9.852 15.128 708 HD13 ILE 86 2HD1 ILE 86 -12.756 -9.768 13.367 709 H GLN 87 H GLN 87 -9.705 -6.856 13.662 710 HA GLN 87 HA GLN 87 -9.199 -4.150 14.046 711 HB2 GLN 87 2HB GLN 87 -7.629 -5.945 14.698 712 HB3 GLN 87 1HB GLN 87 -7.282 -6.254 13.002 713 HG2 GLN 87 2HG GLN 87 -5.508 -4.955 13.964 714 HG3 GLN 87 1HG GLN 87 -6.386 -3.971 12.793 715 HE21 GLN 87 1HE2 GLN 87 -5.600 -4.444 16.130 716 HE22 GLN 87 2HE2 GLN 87 -6.258 -2.950 16.708 717 H LYS 88 H LYS 88 -8.767 -6.128 11.124 718 HA LYS 88 HA LYS 88 -7.819 -4.100 9.454 719 HB2 LYS 88 2HB LYS 88 -9.333 -6.626 8.791 720 HB3 LYS 88 1HB LYS 88 -8.668 -5.552 7.568 721 HG2 LYS 88 2HG LYS 88 -6.419 -5.900 8.673 722 HG3 LYS 88 1HG LYS 88 -7.183 -7.195 9.599 723 HD2 LYS 88 2HD LYS 88 -7.137 -7.048 6.584 724 HD3 LYS 88 1HD LYS 88 -5.996 -7.980 7.551 725 HE2 LYS 88 2HE LYS 88 -8.974 -8.372 7.714 726 HE3 LYS 88 1HE LYS 88 -7.961 -9.250 6.572 727 HZ1 LYS 88 3HZ LYS 88 -6.737 -10.213 8.381 728 HZ2 LYS 88 1HZ LYS 88 -8.389 -10.476 8.651 729 HZ3 LYS 88 2HZ LYS 88 -7.575 -9.271 9.518 730 H TYR 89 H TYR 89 -11.115 -5.011 10.299 731 HA TYR 89 HA TYR 89 -12.353 -3.428 8.278 732 HD1 TYR 89 HD2 TYR 89 -12.729 -5.148 7.340 733 HD2 TYR 89 HD1 TYR 89 -14.594 -6.588 10.881 734 HE1 TYR 89 HE2 TYR 89 -12.880 -7.387 6.344 735 HE2 TYR 89 HE1 TYR 89 -14.739 -8.834 9.892 736 HH TYR 89 HH TYR 89 -14.768 -9.861 7.653 737 HB2 TYR 89 2HB TYR 89 -13.505 -4.461 10.877 738 HB3 TYR 89 1HB TYR 89 -14.437 -3.786 9.549 739 H ARG 90 H ARG 90 -11.208 -2.775 11.511 740 HA ARG 90 HA ARG 90 -12.566 -0.250 11.731 741 HE ARG 90 HE ARG 90 -14.459 -2.063 15.511 742 HB2 ARG 90 2HB ARG 90 -10.297 -1.454 13.321 743 HB3 ARG 90 1HB ARG 90 -11.046 0.091 13.699 744 HG2 ARG 90 2HG ARG 90 -12.411 -2.592 13.673 745 HG3 ARG 90 1HG ARG 90 -11.951 -1.658 15.100 746 HD2 ARG 90 2HD ARG 90 -13.492 0.096 14.506 747 HD3 ARG 90 1HD ARG 90 -13.865 -0.693 12.974 748 HH11 ARG 90 1HH1 ARG 90 -15.570 -0.509 12.567 749 HH12 ARG 90 2HH1 ARG 90 -17.179 -1.166 12.668 750 HH21 ARG 90 1HH2 ARG 90 -16.578 -2.902 15.671 751 HH22 ARG 90 2HH2 ARG 90 -17.748 -2.530 14.436 752 H GLN 91 H GLN 91 -9.577 -1.394 10.446 753 HA GLN 91 HA GLN 91 -8.653 1.360 9.995 754 HB2 GLN 91 2HB GLN 91 -6.536 0.157 9.175 755 HB3 GLN 91 1HB GLN 91 -6.886 0.107 10.895 756 HG2 GLN 91 2HG GLN 91 -7.990 -2.141 10.425 757 HG3 GLN 91 1HG GLN 91 -7.184 -2.074 8.867 758 HE21 GLN 91 1HE2 GLN 91 -5.696 -0.783 11.760 759 HE22 GLN 91 2HE2 GLN 91 -4.486 -2.002 11.902 760 H LEU 92 H LEU 92 -10.794 -0.368 8.683 761 HA LEU 92 HA LEU 92 -9.989 0.085 5.887 762 HG LEU 92 HG LEU 92 -10.675 -1.715 4.259 763 HB2 LEU 92 2HB LEU 92 -10.581 -2.281 6.706 764 HB3 LEU 92 1HB LEU 92 -12.223 -1.700 6.851 765 HD11 LEU 92 1HD1 LEU 92 -10.985 -3.988 5.131 766 HD12 LEU 92 2HD1 LEU 92 -11.958 -3.699 3.690 767 HD13 LEU 92 3HD1 LEU 92 -12.716 -3.686 5.281 768 HD21 LEU 92 3HD2 LEU 92 -13.608 -1.387 4.869 769 HD22 LEU 92 1HD2 LEU 92 -12.893 -1.457 3.258 770 HD23 LEU 92 2HD2 LEU 92 -12.510 -0.114 4.335 771 H HIS 93 H HIS 93 -10.886 1.873 5.092 772 HA HIS 93 HA HIS 93 -13.355 2.889 6.275 773 HD1 HIS 93 HD1 HIS 93 -13.052 5.500 7.471 774 HD2 HIS 93 HD2 HIS 93 -9.283 4.398 6.110 775 HE1 HIS 93 HE1 HIS 93 -11.443 6.209 9.276 776 HE2 HIS 93 HE2 HIS 93 -9.190 5.368 8.505 777 HB2 HIS 93 2HB HIS 93 -11.376 4.150 4.362 778 HB3 HIS 93 1HB HIS 93 -12.873 4.924 4.873 779 H HIS 94 H HIS 94 -15.193 2.265 5.413 780 HA HIS 94 HA HIS 94 -15.397 1.999 2.497 781 HD1 HIS 94 HD1 HIS 94 -18.655 -0.121 4.356 782 HD2 HIS 94 HD2 HIS 94 -14.943 -0.914 6.079 783 HE1 HIS 94 HE1 HIS 94 -19.148 -1.095 6.625 784 HE2 HIS 94 HE2 HIS 94 -16.898 -1.710 7.582 785 HB2 HIS 94 2HB HIS 94 -16.608 -0.115 2.681 786 HB3 HIS 94 1HB HIS 94 -15.003 -0.276 3.384 787 H HIS 95 H HIS 95 -17.797 1.616 1.912 788 HA HIS 95 HA HIS 95 -19.531 3.010 3.831 789 HD1 HIS 95 HD1 HIS 95 -21.621 3.121 -0.282 790 HD2 HIS 95 HD2 HIS 95 -17.467 3.127 -0.013 791 HE1 HIS 95 HE1 HIS 95 -20.789 2.535 -2.582 792 HE2 HIS 95 HE2 HIS 95 -18.285 2.719 -2.440 793 HB2 HIS 95 2HB HIS 95 -20.830 3.930 1.923 794 HB3 HIS 95 1HB HIS 95 -19.180 4.527 1.975 Start of MODEL 12 1 HA MET 1 HA MET 1 13.583 10.161 21.018 2 H1 MET 1 1H MET 1 15.434 11.075 18.899 3 H2 MET 1 2H MET 1 14.445 9.700 18.869 4 H3 MET 1 3H MET 1 15.738 9.792 19.961 5 HB2 MET 1 2HB MET 1 14.219 12.126 22.285 6 HB3 MET 1 1HB MET 1 15.641 11.148 21.959 7 HG2 MET 1 2HG MET 1 16.338 12.651 20.216 8 HG3 MET 1 1HG MET 1 14.857 13.592 20.392 9 HE1 MET 1 3HE MET 1 16.314 15.814 20.601 10 HE2 MET 1 1HE MET 1 17.787 14.861 20.427 11 HE3 MET 1 2HE MET 1 17.633 16.011 21.755 12 H TYR 2 H TYR 2 14.259 12.273 18.290 13 HA TYR 2 HA TYR 2 11.553 13.379 18.544 14 HD1 TYR 2 HD2 TYR 2 10.552 15.697 19.148 15 HD2 TYR 2 HD1 TYR 2 13.796 16.642 16.563 16 HE1 TYR 2 HE2 TYR 2 9.260 17.574 18.221 17 HE2 TYR 2 HE1 TYR 2 12.519 18.523 15.634 18 HH TYR 2 HH TYR 2 9.722 19.737 17.094 19 HB2 TYR 2 2HB TYR 2 13.047 14.997 19.579 20 HB3 TYR 2 1HB TYR 2 14.081 14.991 18.156 21 H LEU 3 H LEU 3 10.588 12.709 16.758 22 HA LEU 3 HA LEU 3 12.022 12.717 14.223 23 HG LEU 3 HG LEU 3 10.886 10.248 15.753 24 HB2 LEU 3 2HB LEU 3 9.222 11.841 14.931 25 HB3 LEU 3 1HB LEU 3 9.910 11.745 13.323 26 HD11 LEU 3 1HD1 LEU 3 8.769 9.410 14.859 27 HD12 LEU 3 2HD1 LEU 3 10.089 8.273 14.578 28 HD13 LEU 3 3HD1 LEU 3 9.498 9.283 13.257 29 HD21 LEU 3 3HD2 LEU 3 11.851 10.184 12.897 30 HD22 LEU 3 1HD2 LEU 3 12.387 9.109 14.188 31 HD23 LEU 3 2HD2 LEU 3 12.732 10.835 14.279 32 H LYS 4 H LYS 4 12.240 14.681 13.406 33 HA LYS 4 HA LYS 4 10.266 16.742 13.681 34 HB2 LYS 4 2HB LYS 4 12.709 17.197 13.533 35 HB3 LYS 4 1HB LYS 4 12.694 16.614 11.876 36 HG2 LYS 4 2HG LYS 4 11.196 18.433 11.240 37 HG3 LYS 4 1HG LYS 4 11.188 19.008 12.908 38 HD2 LYS 4 2HD LYS 4 13.540 19.491 12.815 39 HD3 LYS 4 1HD LYS 4 13.673 18.748 11.218 40 HE2 LYS 4 2HE LYS 4 12.220 20.467 10.288 41 HE3 LYS 4 1HE LYS 4 12.043 21.197 11.884 42 HZ1 LYS 4 3HZ LYS 4 14.649 20.886 10.495 43 HZ2 LYS 4 1HZ LYS 4 14.337 21.769 11.908 44 HZ3 LYS 4 2HZ LYS 4 13.707 22.295 10.426 45 H ARG 5 H ARG 5 11.192 14.374 11.294 46 HA ARG 5 HA ARG 5 8.661 14.909 9.907 47 HE ARG 5 HE ARG 5 8.937 14.875 4.400 48 HB2 ARG 5 2HB ARG 5 10.534 15.803 8.521 49 HB3 ARG 5 1HB ARG 5 11.238 14.192 8.491 50 HG2 ARG 5 2HG ARG 5 9.151 13.372 7.406 51 HG3 ARG 5 1HG ARG 5 8.600 15.045 7.319 52 HD2 ARG 5 2HD ARG 5 10.497 15.631 5.927 53 HD3 ARG 5 1HD ARG 5 11.140 13.995 6.075 54 HH11 ARG 5 1HH1 ARG 5 10.616 12.169 5.845 55 HH12 ARG 5 2HH1 ARG 5 10.024 11.002 4.699 56 HH21 ARG 5 1HH2 ARG 5 8.177 13.356 2.850 57 HH22 ARG 5 2HH2 ARG 5 8.653 11.686 2.990 58 H VAL 6 H VAL 6 7.559 13.211 10.664 59 HA VAL 6 HA VAL 6 8.769 10.692 11.203 60 HB VAL 6 HB VAL 6 5.822 11.323 10.948 61 HG11 VAL 6 1HG1 VAL 6 7.236 9.027 12.310 62 HG12 VAL 6 2HG1 VAL 6 6.276 8.932 10.834 63 HG13 VAL 6 3HG1 VAL 6 5.501 9.343 12.363 64 HG21 VAL 6 3HG2 VAL 6 5.875 11.517 13.409 65 HG22 VAL 6 1HG2 VAL 6 6.841 12.756 12.608 66 HG23 VAL 6 2HG2 VAL 6 7.631 11.373 13.362 67 H ASP 7 H ASP 7 9.727 9.913 9.371 68 HA ASP 7 HA ASP 7 8.156 9.489 6.964 69 HB2 ASP 7 2HB ASP 7 10.632 10.113 6.975 70 HB3 ASP 7 1HB ASP 7 10.952 8.474 7.530 71 H GLY 8 H GLY 8 6.789 8.273 8.751 72 HA2 GLY 8 2HA GLY 8 5.813 6.276 9.300 73 HA3 GLY 8 1HA GLY 8 6.806 5.534 8.057 74 HA PRO 9 HA PRO 9 8.508 4.153 12.167 75 HB2 PRO 9 2HB PRO 9 7.304 1.575 11.936 76 HB3 PRO 9 1HB PRO 9 6.942 2.830 13.122 77 HG2 PRO 9 2HG PRO 9 5.208 1.954 11.138 78 HG3 PRO 9 1HG PRO 9 5.075 3.492 12.006 79 HD2 PRO 9 2HD PRO 9 6.185 2.936 9.293 80 HD3 PRO 9 1HD PRO 9 5.256 4.335 9.870 81 H ARG 10 H ARG 10 9.059 3.929 9.149 82 HA ARG 10 HA ARG 10 10.631 3.047 7.783 83 HE ARG 10 HE ARG 10 12.834 3.170 6.852 84 HB2 ARG 10 2HB ARG 10 11.545 1.555 10.247 85 HB3 ARG 10 1HB ARG 10 12.402 1.576 8.713 86 HG2 ARG 10 2HG ARG 10 11.748 4.176 9.984 87 HG3 ARG 10 1HG ARG 10 13.032 3.199 10.692 88 HD2 ARG 10 2HD ARG 10 13.791 4.892 9.006 89 HD3 ARG 10 1HD ARG 10 14.288 3.236 8.675 90 HH11 ARG 10 1HH1 ARG 10 12.754 6.294 8.452 91 HH12 ARG 10 2HH1 ARG 10 11.906 7.064 7.149 92 HH21 ARG 10 1HH2 ARG 10 11.775 4.222 5.132 93 HH22 ARG 10 2HH2 ARG 10 11.361 5.910 5.270 94 H GLN 11 H GLN 11 9.418 0.477 9.946 95 HA GLN 11 HA GLN 11 8.340 -0.907 7.629 96 HB2 GLN 11 2HB GLN 11 9.371 -3.065 8.298 97 HB3 GLN 11 1HB GLN 11 10.540 -1.881 7.736 98 HG2 GLN 11 2HG GLN 11 11.180 -1.387 10.015 99 HG3 GLN 11 1HG GLN 11 9.957 -2.500 10.622 100 HE21 GLN 11 1HE2 GLN 11 11.483 -3.734 11.685 101 HE22 GLN 11 2HE2 GLN 11 12.569 -4.788 10.849 102 H VAL 12 H VAL 12 6.735 -2.434 8.137 103 HA VAL 12 HA VAL 12 5.846 -2.480 10.939 104 HB VAL 12 HB VAL 12 3.487 -2.417 10.128 105 HG11 VAL 12 1HG1 VAL 12 4.539 -0.418 11.039 106 HG12 VAL 12 2HG1 VAL 12 3.408 -0.004 9.750 107 HG13 VAL 12 3HG1 VAL 12 5.142 0.003 9.435 108 HG21 VAL 12 3HG2 VAL 12 3.010 -1.588 7.882 109 HG22 VAL 12 1HG2 VAL 12 3.877 -3.124 7.827 110 HG23 VAL 12 2HG2 VAL 12 4.732 -1.617 7.504 111 H THR 13 H THR 13 4.234 -4.267 11.326 112 HA THR 13 HA THR 13 5.146 -6.655 9.871 113 HB THR 13 HB THR 13 3.663 -6.585 12.506 114 HG1 THR 13 HG1 THR 13 6.128 -5.743 12.023 115 HG21 THR 13 3HG2 THR 13 5.397 -8.711 11.230 116 HG22 THR 13 1HG2 THR 13 3.635 -8.738 11.309 117 HG23 THR 13 2HG2 THR 13 4.586 -8.832 12.790 118 H LEU 14 H LEU 14 3.730 -8.057 8.906 119 HA LEU 14 HA LEU 14 0.970 -7.126 8.582 120 HG LEU 14 HG LEU 14 2.072 -7.901 5.097 121 HB2 LEU 14 2HB LEU 14 2.549 -9.268 7.145 122 HB3 LEU 14 1HB LEU 14 0.860 -8.931 6.836 123 HD11 LEU 14 1HD1 LEU 14 1.409 -5.775 7.117 124 HD12 LEU 14 2HD1 LEU 14 0.284 -6.523 5.983 125 HD13 LEU 14 3HD1 LEU 14 1.612 -5.529 5.385 126 HD21 LEU 14 3HD2 LEU 14 4.277 -7.943 6.189 127 HD22 LEU 14 1HD2 LEU 14 3.801 -6.548 7.153 128 HD23 LEU 14 2HD2 LEU 14 3.930 -6.407 5.401 129 HA PRO 15 HA PRO 15 -0.610 -10.486 11.125 130 HB2 PRO 15 2HB PRO 15 -3.039 -10.833 9.932 131 HB3 PRO 15 1HB PRO 15 -2.698 -9.511 11.054 132 HG2 PRO 15 2HG PRO 15 -2.773 -9.493 8.069 133 HG3 PRO 15 1HG PRO 15 -3.368 -8.276 9.213 134 HD2 PRO 15 2HD PRO 15 -1.017 -8.027 7.874 135 HD3 PRO 15 1HD PRO 15 -1.287 -7.336 9.484 136 H ASP 16 H ASP 16 -0.112 -10.476 7.778 137 HA ASP 16 HA ASP 16 -0.564 -13.248 7.239 138 HB2 ASP 16 2HB ASP 16 1.190 -11.325 5.691 139 HB3 ASP 16 1HB ASP 16 0.420 -12.789 5.090 140 H GLY 17 H GLY 17 1.698 -11.594 9.030 141 HA2 GLY 17 2HA GLY 17 3.524 -12.467 10.178 142 HA3 GLY 17 1HA GLY 17 3.467 -13.886 9.145 143 H THR 18 H THR 18 3.370 -10.951 7.480 144 HA THR 18 HA THR 18 6.081 -11.410 6.500 145 HB THR 18 HB THR 18 4.089 -9.504 5.291 146 HG1 THR 18 HG1 THR 18 3.275 -11.299 4.083 147 HG21 THR 18 3HG2 THR 18 6.242 -11.257 4.094 148 HG22 THR 18 1HG2 THR 18 6.366 -9.523 4.382 149 HG23 THR 18 2HG2 THR 18 5.208 -10.141 3.205 150 H VAL 19 H VAL 19 7.353 -9.409 5.910 151 HA VAL 19 HA VAL 19 6.905 -7.218 7.834 152 HB VAL 19 HB VAL 19 9.515 -8.097 6.568 153 HG11 VAL 19 1HG1 VAL 19 10.545 -6.415 8.069 154 HG12 VAL 19 2HG1 VAL 19 8.928 -5.868 8.523 155 HG13 VAL 19 3HG1 VAL 19 9.483 -5.691 6.857 156 HG21 VAL 19 3HG2 VAL 19 8.749 -9.627 8.312 157 HG22 VAL 19 1HG2 VAL 19 8.565 -8.276 9.430 158 HG23 VAL 19 2HG2 VAL 19 10.167 -8.726 8.844 159 H LEU 20 H LEU 20 6.348 -5.330 6.983 160 HA LEU 20 HA LEU 20 6.878 -4.889 4.114 161 HG LEU 20 HG LEU 20 5.021 -2.191 4.349 162 HB2 LEU 20 2HB LEU 20 4.542 -5.158 4.418 163 HB3 LEU 20 1HB LEU 20 4.523 -4.113 5.825 164 HD11 LEU 20 1HD1 LEU 20 6.150 -3.380 2.543 165 HD12 LEU 20 2HD1 LEU 20 4.782 -2.450 1.932 166 HD13 LEU 20 3HD1 LEU 20 4.643 -4.197 2.132 167 HD21 LEU 20 3HD2 LEU 20 2.788 -2.114 3.313 168 HD22 LEU 20 1HD2 LEU 20 2.745 -2.686 4.981 169 HD23 LEU 20 2HD2 LEU 20 2.597 -3.834 3.650 170 H SER 21 H SER 21 8.352 -3.404 3.804 171 HA SER 21 HA SER 21 8.700 -1.285 5.806 172 HG SER 21 HG SER 21 9.953 -3.354 6.068 173 HB2 SER 21 2HB SER 21 10.680 -2.188 3.704 174 HB3 SER 21 1HB SER 21 10.995 -1.167 5.107 175 H ARG 22 H ARG 22 9.360 0.868 4.926 176 HA ARG 22 HA ARG 22 7.484 1.714 2.979 177 HE ARG 22 HE ARG 22 9.078 6.212 4.328 178 HB2 ARG 22 2HB ARG 22 9.777 3.105 4.344 179 HB3 ARG 22 1HB ARG 22 8.831 3.909 3.097 180 HG2 ARG 22 2HG ARG 22 6.810 3.598 4.402 181 HG3 ARG 22 1HG ARG 22 7.724 2.735 5.636 182 HD2 ARG 22 2HD ARG 22 7.300 5.043 6.291 183 HD3 ARG 22 1HD ARG 22 9.024 4.734 6.098 184 HH11 ARG 22 1HH1 ARG 22 5.742 5.649 5.262 185 HH12 ARG 22 2HH1 ARG 22 5.108 6.891 4.214 186 HH21 ARG 22 1HH2 ARG 22 8.239 7.884 3.005 187 HH22 ARG 22 2HH2 ARG 22 6.521 8.175 2.963 188 H ALA 23 H ALA 23 10.789 0.684 2.735 189 HA ALA 23 HA ALA 23 10.951 1.567 -0.042 190 HB1 ALA 23 3HB ALA 23 13.242 0.729 0.028 191 HB2 ALA 23 1HB ALA 23 12.963 0.077 1.641 192 HB3 ALA 23 2HB ALA 23 12.929 1.820 1.376 193 H ASP 24 H ASP 24 9.660 -0.994 1.615 194 HA ASP 24 HA ASP 24 10.318 -3.027 -0.363 195 HB2 ASP 24 2HB ASP 24 10.126 -3.620 2.065 196 HB3 ASP 24 1HB ASP 24 8.409 -3.236 1.981 197 H LEU 25 H LEU 25 7.987 -0.648 0.239 198 HA LEU 25 HA LEU 25 5.709 -1.588 -1.033 199 HG LEU 25 HG LEU 25 5.969 0.229 1.234 200 HB2 LEU 25 2HB LEU 25 6.923 1.162 -0.893 201 HB3 LEU 25 1HB LEU 25 5.375 0.861 -1.658 202 HD11 LEU 25 1HD1 LEU 25 4.626 2.229 1.725 203 HD12 LEU 25 2HD1 LEU 25 4.591 2.610 0.004 204 HD13 LEU 25 3HD1 LEU 25 6.124 2.618 0.878 205 HD21 LEU 25 3HD2 LEU 25 3.378 0.380 -0.301 206 HD22 LEU 25 1HD2 LEU 25 3.543 0.053 1.423 207 HD23 LEU 25 2HD2 LEU 25 4.169 -1.099 0.242 208 HA PRO 26 HA PRO 26 6.725 -2.332 -5.216 209 HB2 PRO 26 2HB PRO 26 4.480 -1.256 -6.447 210 HB3 PRO 26 1HB PRO 26 4.579 -2.879 -5.758 211 HG2 PRO 26 2HG PRO 26 3.429 -0.390 -4.590 212 HG3 PRO 26 1HG PRO 26 2.847 -2.061 -4.475 213 HD2 PRO 26 2HD PRO 26 4.132 -0.873 -2.443 214 HD3 PRO 26 1HD PRO 26 4.355 -2.599 -2.800 215 HA PRO 27 HA PRO 27 8.605 1.327 -6.892 216 HB2 PRO 27 2HB PRO 27 8.629 0.572 -9.545 217 HB3 PRO 27 1HB PRO 27 9.828 0.066 -8.353 218 HG2 PRO 27 2HG PRO 27 7.428 -1.397 -9.374 219 HG3 PRO 27 1HG PRO 27 9.052 -2.016 -9.018 220 HD2 PRO 27 2HD PRO 27 7.000 -2.399 -7.331 221 HD3 PRO 27 1HD PRO 27 8.650 -2.121 -6.739 222 H LEU 28 H LEU 28 8.102 3.132 -8.269 223 HA LEU 28 HA LEU 28 5.296 3.680 -8.288 224 HG LEU 28 HG LEU 28 8.086 4.968 -7.131 225 HB2 LEU 28 2HB LEU 28 7.512 5.346 -9.480 226 HB3 LEU 28 1HB LEU 28 5.914 5.892 -9.017 227 HD11 LEU 28 1HD1 LEU 28 8.514 7.159 -8.112 228 HD12 LEU 28 2HD1 LEU 28 8.107 7.295 -6.401 229 HD13 LEU 28 3HD1 LEU 28 6.905 7.698 -7.629 230 HD21 LEU 28 3HD2 LEU 28 5.313 6.010 -6.555 231 HD22 LEU 28 1HD2 LEU 28 6.560 5.683 -5.351 232 HD23 LEU 28 2HD2 LEU 28 5.879 4.360 -6.299 233 H ASP 29 H ASP 29 7.232 2.072 -10.414 234 HA ASP 29 HA ASP 29 6.208 3.127 -12.898 235 HB2 ASP 29 2HB ASP 29 7.839 0.623 -12.443 236 HB3 ASP 29 1HB ASP 29 7.620 1.478 -13.964 237 H THR 30 H THR 30 5.064 0.918 -10.628 238 HA THR 30 HA THR 30 4.195 -1.123 -12.412 239 HB THR 30 HB THR 30 4.647 -1.749 -10.137 240 HG1 THR 30 HG1 THR 30 1.832 -1.925 -10.534 241 HG21 THR 30 3HG2 THR 30 2.384 0.087 -9.347 242 HG22 THR 30 1HG2 THR 30 4.093 0.310 -8.976 243 HG23 THR 30 2HG2 THR 30 3.207 -1.041 -8.269 244 H ARG 31 H ARG 31 2.744 -0.727 -13.914 245 HA ARG 31 HA ARG 31 0.199 0.498 -13.099 246 HE ARG 31 HE ARG 31 -1.723 1.845 -15.904 247 HB2 ARG 31 2HB ARG 31 1.534 0.098 -15.744 248 HB3 ARG 31 1HB ARG 31 -0.220 0.176 -15.683 249 HG2 ARG 31 2HG ARG 31 1.671 2.290 -14.670 250 HG3 ARG 31 1HG ARG 31 0.756 2.352 -16.178 251 HD2 ARG 31 2HD ARG 31 -0.357 2.304 -13.375 252 HD3 ARG 31 1HD ARG 31 -0.391 3.655 -14.507 253 HH11 ARG 31 1HH1 ARG 31 -2.024 2.698 -12.520 254 HH12 ARG 31 2HH1 ARG 31 -3.689 2.210 -12.406 255 HH21 ARG 31 1HH2 ARG 31 -3.880 1.208 -15.779 256 HH22 ARG 31 2HH2 ARG 31 -4.759 1.368 -14.281 257 H ARG 32 H ARG 32 1.730 -2.420 -14.199 258 HA ARG 32 HA ARG 32 -0.731 -3.914 -14.323 259 HE ARG 32 HE ARG 32 2.123 -7.290 -15.100 260 HB2 ARG 32 2HB ARG 32 0.758 -5.884 -14.580 261 HB3 ARG 32 1HB ARG 32 1.085 -4.617 -15.753 262 HG2 ARG 32 2HG ARG 32 2.960 -3.863 -14.264 263 HG3 ARG 32 1HG ARG 32 2.695 -5.326 -13.314 264 HD2 ARG 32 2HD ARG 32 3.419 -5.188 -16.235 265 HD3 ARG 32 1HD ARG 32 4.486 -5.657 -14.914 266 HH11 ARG 32 1HH1 ARG 32 5.385 -6.798 -16.256 267 HH12 ARG 32 2HH1 ARG 32 5.607 -8.444 -16.761 268 HH21 ARG 32 1HH2 ARG 32 2.379 -9.460 -15.795 269 HH22 ARG 32 2HH2 ARG 32 3.871 -9.957 -16.542 270 H TRP 33 H TRP 33 -1.404 -3.128 -12.219 271 HA TRP 33 HA TRP 33 -0.022 -3.765 -9.839 272 HD1 TRP 33 HD1 TRP 33 -2.198 -0.552 -11.342 273 HE1 TRP 33 HE1 TRP 33 -1.001 1.480 -10.312 274 HE3 TRP 33 HE3 TRP 33 -0.369 -2.745 -7.107 275 HZ2 TRP 33 HZ2 TRP 33 0.516 2.073 -8.011 276 HZ3 TRP 33 HZ3 TRP 33 0.946 -1.379 -5.543 277 HH2 TRP 33 HH2 TRP 33 1.382 0.982 -5.988 278 HB2 TRP 33 2HB TRP 33 -2.841 -2.921 -10.430 279 HB3 TRP 33 1HB TRP 33 -2.335 -3.326 -8.795 280 H VAL 34 H VAL 34 0.466 -5.855 -9.511 281 HA VAL 34 HA VAL 34 -1.544 -7.913 -9.670 282 HB VAL 34 HB VAL 34 0.160 -9.419 -8.788 283 HG11 VAL 34 1HG1 VAL 34 1.272 -7.564 -10.888 284 HG12 VAL 34 2HG1 VAL 34 0.189 -8.924 -11.172 285 HG13 VAL 34 3HG1 VAL 34 1.819 -9.209 -10.567 286 HG21 VAL 34 3HG2 VAL 34 1.875 -6.952 -8.479 287 HG22 VAL 34 1HG2 VAL 34 2.417 -8.616 -8.255 288 HG23 VAL 34 2HG2 VAL 34 1.209 -7.926 -7.170 289 H ALA 35 H ALA 35 -1.976 -9.294 -7.701 290 HA ALA 35 HA ALA 35 -3.231 -7.718 -5.758 291 HB1 ALA 35 3HB ALA 35 -2.463 -10.627 -5.572 292 HB2 ALA 35 1HB ALA 35 -3.939 -9.994 -6.297 293 HB3 ALA 35 2HB ALA 35 -3.655 -9.801 -4.568 294 H SER 36 H SER 36 -0.122 -9.373 -5.729 295 HA SER 36 HA SER 36 0.546 -9.070 -3.046 296 HG SER 36 HG SER 36 2.348 -11.381 -4.356 297 HB2 SER 36 2HB SER 36 2.443 -8.981 -5.404 298 HB3 SER 36 1HB SER 36 2.839 -9.441 -3.747 299 H ARG 37 H ARG 37 0.827 -6.789 -5.723 300 HA ARG 37 HA ARG 37 2.391 -4.930 -4.172 301 HE ARG 37 HE ARG 37 5.602 -5.176 -7.753 302 HB2 ARG 37 2HB ARG 37 1.148 -4.751 -6.913 303 HB3 ARG 37 1HB ARG 37 2.008 -3.411 -6.166 304 HG2 ARG 37 2HG ARG 37 4.012 -4.846 -5.986 305 HG3 ARG 37 1HG ARG 37 3.137 -6.119 -6.839 306 HD2 ARG 37 2HD ARG 37 2.928 -4.718 -8.794 307 HD3 ARG 37 1HD ARG 37 3.666 -3.362 -7.942 308 HH11 ARG 37 1HH1 ARG 37 3.669 -4.168 -10.497 309 HH12 ARG 37 2HH1 ARG 37 4.890 -4.572 -11.672 310 HH21 ARG 37 1HH2 ARG 37 7.222 -5.687 -9.301 311 HH22 ARG 37 2HH2 ARG 37 6.891 -5.458 -10.990 312 H LYS 38 H LYS 38 -0.957 -5.153 -5.313 313 HA LYS 38 HA LYS 38 -1.847 -2.698 -4.279 314 HB2 LYS 38 2HB LYS 38 -3.326 -5.291 -4.727 315 HB3 LYS 38 1HB LYS 38 -4.115 -3.802 -4.231 316 HG2 LYS 38 2HG LYS 38 -3.124 -2.747 -6.308 317 HG3 LYS 38 1HG LYS 38 -2.708 -4.387 -6.815 318 HD2 LYS 38 2HD LYS 38 -5.018 -5.039 -6.791 319 HD3 LYS 38 1HD LYS 38 -5.494 -3.497 -6.076 320 HE2 LYS 38 2HE LYS 38 -4.558 -2.389 -8.133 321 HE3 LYS 38 1HE LYS 38 -4.403 -3.996 -8.838 322 HZ1 LYS 38 3HZ LYS 38 -6.474 -2.730 -9.410 323 HZ2 LYS 38 1HZ LYS 38 -6.970 -2.946 -7.806 324 HZ3 LYS 38 2HZ LYS 38 -6.723 -4.296 -8.800 325 H ALA 39 H ALA 39 -1.759 -5.929 -2.832 326 HA ALA 39 HA ALA 39 -2.965 -5.322 -0.392 327 HB1 ALA 39 3HB ALA 39 -0.818 -7.368 -0.935 328 HB2 ALA 39 1HB ALA 39 -2.547 -7.608 -1.172 329 HB3 ALA 39 2HB ALA 39 -1.908 -7.345 0.449 330 H ALA 40 H ALA 40 0.430 -5.142 -1.386 331 HA ALA 40 HA ALA 40 1.554 -4.551 1.100 332 HB1 ALA 40 3HB ALA 40 3.440 -3.625 -0.142 333 HB2 ALA 40 1HB ALA 40 2.471 -3.599 -1.614 334 HB3 ALA 40 2HB ALA 40 2.890 -5.138 -0.861 335 H VAL 41 H VAL 41 0.326 -2.358 -1.406 336 HA VAL 41 HA VAL 41 1.000 0.046 -0.105 337 HB VAL 41 HB VAL 41 -1.224 -0.452 -2.094 338 HG11 VAL 41 1HG1 VAL 41 -1.023 1.945 -2.592 339 HG12 VAL 41 2HG1 VAL 41 0.133 2.110 -1.271 340 HG13 VAL 41 3HG1 VAL 41 -1.535 1.653 -0.930 341 HG21 VAL 41 3HG2 VAL 41 1.626 0.431 -2.520 342 HG22 VAL 41 1HG2 VAL 41 0.386 0.324 -3.769 343 HG23 VAL 41 2HG2 VAL 41 0.947 -1.136 -2.953 344 H VAL 42 H VAL 42 -2.067 -1.769 -0.184 345 HA VAL 42 HA VAL 42 -3.436 0.138 1.407 346 HB VAL 42 HB VAL 42 -4.620 -1.395 -0.121 347 HG11 VAL 42 1HG1 VAL 42 -5.082 -3.701 0.558 348 HG12 VAL 42 2HG1 VAL 42 -3.963 -3.518 1.909 349 HG13 VAL 42 3HG1 VAL 42 -3.368 -3.434 0.251 350 HG21 VAL 42 3HG2 VAL 42 -5.478 -1.628 2.756 351 HG22 VAL 42 1HG2 VAL 42 -6.506 -1.867 1.344 352 HG23 VAL 42 2HG2 VAL 42 -5.823 -0.277 1.675 353 H LYS 43 H LYS 43 -1.802 -2.924 2.187 354 HA LYS 43 HA LYS 43 -2.568 -2.972 4.911 355 HB2 LYS 43 2HB LYS 43 -0.233 -4.215 3.457 356 HB3 LYS 43 1HB LYS 43 -0.529 -4.472 5.171 357 HG2 LYS 43 2HG LYS 43 -2.605 -5.583 4.709 358 HG3 LYS 43 1HG LYS 43 -2.505 -5.160 2.997 359 HD2 LYS 43 2HD LYS 43 -0.378 -6.480 2.887 360 HD3 LYS 43 1HD LYS 43 -0.694 -7.019 4.535 361 HE2 LYS 43 2HE LYS 43 -2.794 -7.390 2.447 362 HE3 LYS 43 1HE LYS 43 -1.411 -8.479 2.475 363 HZ1 LYS 43 3HZ LYS 43 -3.314 -8.015 4.707 364 HZ2 LYS 43 1HZ LYS 43 -1.944 -9.017 4.789 365 HZ3 LYS 43 2HZ LYS 43 -3.218 -9.396 3.740 366 H ALA 44 H ALA 44 -0.043 -1.319 3.165 367 HA ALA 44 HA ALA 44 1.627 -0.625 5.315 368 HB1 ALA 44 3HB ALA 44 2.299 -0.366 2.980 369 HB2 ALA 44 1HB ALA 44 2.475 1.147 3.868 370 HB3 ALA 44 2HB ALA 44 1.109 0.919 2.775 371 H VAL 45 H VAL 45 -1.151 1.046 3.877 372 HA VAL 45 HA VAL 45 -1.060 3.289 5.624 373 HB VAL 45 HB VAL 45 -3.451 2.200 4.118 374 HG11 VAL 45 1HG1 VAL 45 -4.080 3.780 5.859 375 HG12 VAL 45 2HG1 VAL 45 -4.301 4.498 4.264 376 HG13 VAL 45 3HG1 VAL 45 -2.907 4.948 5.250 377 HG21 VAL 45 3HG2 VAL 45 -1.620 2.620 2.595 378 HG22 VAL 45 1HG2 VAL 45 -1.370 4.222 3.293 379 HG23 VAL 45 2HG2 VAL 45 -2.851 3.867 2.401 380 H ILE 46 H ILE 46 -2.777 0.215 5.697 381 HA ILE 46 HA ILE 46 -4.446 0.822 7.900 382 HB ILE 46 HB ILE 46 -3.562 -1.858 6.808 383 HG12 ILE 46 2HG1 ILE 46 -6.107 -0.273 6.380 384 HG13 ILE 46 1HG1 ILE 46 -4.790 -0.407 5.222 385 HG21 ILE 46 1HG2 ILE 46 -5.528 -2.780 7.961 386 HG22 ILE 46 2HG2 ILE 46 -5.802 -1.214 8.722 387 HG23 ILE 46 3HG2 ILE 46 -4.339 -2.128 9.088 388 HD11 ILE 46 3HD1 ILE 46 -6.502 -2.677 6.211 389 HD12 ILE 46 1HD1 ILE 46 -5.191 -2.805 5.038 390 HD13 ILE 46 2HD1 ILE 46 -6.640 -1.874 4.646 391 H HIS 47 H HIS 47 -1.128 -0.166 7.700 392 HA HIS 47 HA HIS 47 -1.101 -0.839 10.553 393 HD1 HIS 47 HD1 HIS 47 -0.987 -3.062 11.115 394 HD2 HIS 47 HD2 HIS 47 0.540 -3.669 7.295 395 HE1 HIS 47 HE1 HIS 47 -1.734 -5.369 10.439 396 HE2 HIS 47 HE2 HIS 47 -0.591 -5.783 8.235 397 HB2 HIS 47 2HB HIS 47 0.945 -1.244 8.384 398 HB3 HIS 47 1HB HIS 47 1.298 -1.506 10.089 399 H GLY 48 H GLY 48 -0.625 1.825 8.607 400 HA2 GLY 48 2HA GLY 48 -0.057 3.962 9.343 401 HA3 GLY 48 1HA GLY 48 0.559 3.261 10.830 402 H LEU 49 H LEU 49 1.653 1.831 7.925 403 HA LEU 49 HA LEU 49 4.365 2.643 8.380 404 HG LEU 49 HG LEU 49 5.376 2.181 5.536 405 HB2 LEU 49 2HB LEU 49 3.786 0.446 7.422 406 HB3 LEU 49 1HB LEU 49 3.102 1.241 6.018 407 HD11 LEU 49 1HD1 LEU 49 7.295 1.074 6.588 408 HD12 LEU 49 2HD1 LEU 49 6.198 0.249 7.695 409 HD13 LEU 49 3HD1 LEU 49 6.344 2.006 7.744 410 HD21 LEU 49 3HD2 LEU 49 6.238 0.096 4.601 411 HD22 LEU 49 1HD2 LEU 49 4.500 0.254 4.344 412 HD23 LEU 49 2HD2 LEU 49 5.110 -0.817 5.604 413 H ILE 50 H ILE 50 1.842 3.363 6.057 414 HA ILE 50 HA ILE 50 3.157 5.920 5.475 415 HB ILE 50 HB ILE 50 2.552 5.822 3.137 416 HG12 ILE 50 2HG1 ILE 50 1.533 3.015 3.588 417 HG13 ILE 50 1HG1 ILE 50 0.484 4.428 3.521 418 HG21 ILE 50 1HG2 ILE 50 3.983 4.005 2.334 419 HG22 ILE 50 2HG2 ILE 50 3.960 3.282 3.943 420 HG23 ILE 50 3HG2 ILE 50 4.708 4.861 3.695 421 HD11 ILE 50 3HD1 ILE 50 0.555 3.211 1.405 422 HD12 ILE 50 1HD1 ILE 50 2.291 3.505 1.302 423 HD13 ILE 50 2HD1 ILE 50 1.160 4.859 1.246 424 H THR 51 H THR 51 1.521 7.499 4.591 425 HA THR 51 HA THR 51 -1.031 7.043 5.917 426 HB THR 51 HB THR 51 -0.113 9.159 6.475 427 HG1 THR 51 HG1 THR 51 -2.161 9.692 6.296 428 HG21 THR 51 3HG2 THR 51 1.450 9.429 4.631 429 HG22 THR 51 1HG2 THR 51 0.454 10.873 4.815 430 HG23 THR 51 2HG2 THR 51 0.112 9.723 3.525 431 H GLU 52 H GLU 52 -3.013 7.488 4.844 432 HA GLU 52 HA GLU 52 -3.364 6.019 2.520 433 HB2 GLU 52 2HB GLU 52 -5.066 6.667 4.282 434 HB3 GLU 52 1HB GLU 52 -5.185 8.222 3.477 435 HG2 GLU 52 2HG GLU 52 -5.908 7.083 1.422 436 HG3 GLU 52 1HG GLU 52 -5.843 5.540 2.279 437 H ARG 53 H ARG 53 -3.133 9.514 2.974 438 HA ARG 53 HA ARG 53 -3.620 10.208 0.278 439 HE ARG 53 HE ARG 53 -3.277 12.703 -0.566 440 HB2 ARG 53 2HB ARG 53 -2.462 11.648 2.630 441 HB3 ARG 53 1HB ARG 53 -2.354 12.368 1.029 442 HG2 ARG 53 2HG ARG 53 -4.868 11.587 2.484 443 HG3 ARG 53 1HG ARG 53 -4.283 13.224 2.180 444 HD2 ARG 53 2HD ARG 53 -5.271 11.206 0.174 445 HD3 ARG 53 1HD ARG 53 -5.975 12.773 0.566 446 HH11 ARG 53 1HH1 ARG 53 -6.690 13.383 -1.008 447 HH12 ARG 53 2HH1 ARG 53 -6.427 14.364 -2.423 448 HH21 ARG 53 1HH2 ARG 53 -2.942 13.910 -2.451 449 HH22 ARG 53 2HH2 ARG 53 -4.300 14.659 -3.243 450 H GLU 54 H GLU 54 -0.725 9.328 2.029 451 HA GLU 54 HA GLU 54 1.143 10.207 0.098 452 HB2 GLU 54 2HB GLU 54 1.863 9.673 2.356 453 HB3 GLU 54 1HB GLU 54 1.354 8.004 2.158 454 HG2 GLU 54 2HG GLU 54 3.088 7.563 0.611 455 HG3 GLU 54 1HG GLU 54 3.478 9.274 0.461 456 H ALA 55 H ALA 55 -0.551 7.151 0.615 457 HA ALA 55 HA ALA 55 0.659 5.691 -1.458 458 HB1 ALA 55 3HB ALA 55 -0.718 4.671 0.298 459 HB2 ALA 55 1HB ALA 55 -1.268 4.213 -1.314 460 HB3 ALA 55 2HB ALA 55 -2.150 5.432 -0.394 461 H LEU 56 H LEU 56 -2.176 7.779 -1.397 462 HA LEU 56 HA LEU 56 -2.975 7.312 -4.081 463 HG LEU 56 HG LEU 56 -4.285 7.573 -1.239 464 HB2 LEU 56 2HB LEU 56 -3.574 9.690 -2.319 465 HB3 LEU 56 1HB LEU 56 -4.454 9.221 -3.760 466 HD11 LEU 56 1HD1 LEU 56 -6.511 9.322 -2.274 467 HD12 LEU 56 2HD1 LEU 56 -5.521 9.618 -0.843 468 HD13 LEU 56 3HD1 LEU 56 -6.613 8.235 -0.888 469 HD21 LEU 56 3HD2 LEU 56 -4.620 6.239 -3.257 470 HD22 LEU 56 1HD2 LEU 56 -5.994 7.251 -3.704 471 HD23 LEU 56 2HD2 LEU 56 -6.068 6.252 -2.250 472 H ASP 57 H ASP 57 -0.657 9.479 -2.620 473 HA ASP 57 HA ASP 57 -0.571 11.092 -5.047 474 HB2 ASP 57 2HB ASP 57 0.419 11.491 -2.271 475 HB3 ASP 57 1HB ASP 57 1.239 12.339 -3.579 476 H ARG 58 H ARG 58 1.338 8.625 -3.471 477 HA ARG 58 HA ARG 58 3.634 9.225 -5.137 478 HE ARG 58 HE ARG 58 4.549 4.224 -3.286 479 HB2 ARG 58 2HB ARG 58 4.681 7.240 -4.151 480 HB3 ARG 58 1HB ARG 58 4.060 8.324 -2.919 481 HG2 ARG 58 2HG ARG 58 2.123 6.875 -2.615 482 HG3 ARG 58 1HG ARG 58 2.743 5.787 -3.859 483 HD2 ARG 58 2HD ARG 58 4.350 6.500 -1.422 484 HD3 ARG 58 1HD ARG 58 3.192 5.172 -1.414 485 HH11 ARG 58 1HH1 ARG 58 6.023 6.514 -1.070 486 HH12 ARG 58 2HH1 ARG 58 7.599 5.793 -1.197 487 HH21 ARG 58 1HH2 ARG 58 6.643 3.286 -3.434 488 HH22 ARG 58 2HH2 ARG 58 7.947 3.960 -2.509 489 H TYR 59 H TYR 59 0.766 7.386 -5.421 490 HA TYR 59 HA TYR 59 1.885 6.090 -7.821 491 HD1 TYR 59 HD2 TYR 59 2.631 3.707 -7.725 492 HD2 TYR 59 HD1 TYR 59 0.492 4.303 -4.096 493 HE1 TYR 59 HE2 TYR 59 4.275 2.321 -6.533 494 HE2 TYR 59 HE1 TYR 59 2.133 2.917 -2.896 495 HH TYR 59 HH TYR 59 5.014 1.660 -4.501 496 HB2 TYR 59 2HB TYR 59 -0.384 5.156 -6.055 497 HB3 TYR 59 1HB TYR 59 0.075 4.396 -7.577 498 H SER 60 H SER 60 0.076 8.624 -6.920 499 HA SER 60 HA SER 60 -1.413 10.004 -7.932 500 HG SER 60 HG SER 60 0.444 10.726 -9.089 501 HB2 SER 60 2HB SER 60 -0.605 8.435 -10.393 502 HB3 SER 60 1HB SER 60 -1.456 9.984 -10.404 503 H LEU 61 H LEU 61 -2.506 7.791 -6.657 504 HA LEU 61 HA LEU 61 -4.535 6.664 -8.422 505 HG LEU 61 HG LEU 61 -2.147 5.245 -7.043 506 HB2 LEU 61 2HB LEU 61 -3.896 6.111 -5.524 507 HB3 LEU 61 1HB LEU 61 -5.110 5.265 -6.462 508 HD11 LEU 61 1HD1 LEU 61 -2.639 4.077 -4.980 509 HD12 LEU 61 2HD1 LEU 61 -2.240 2.925 -6.253 510 HD13 LEU 61 3HD1 LEU 61 -3.920 3.163 -5.775 511 HD21 LEU 61 3HD2 LEU 61 -2.707 3.441 -8.604 512 HD22 LEU 61 1HD2 LEU 61 -3.501 4.951 -9.049 513 HD23 LEU 61 2HD2 LEU 61 -4.421 3.672 -8.256 514 H SER 62 H SER 62 -6.769 6.515 -7.570 515 HA SER 62 HA SER 62 -7.590 9.025 -6.269 516 HG SER 62 HG SER 62 -7.496 8.537 -8.907 517 HB2 SER 62 2HB SER 62 -9.256 7.078 -7.895 518 HB3 SER 62 1HB SER 62 -9.782 8.647 -7.282 519 H GLU 63 H GLU 63 -9.540 8.824 -4.825 520 HA GLU 63 HA GLU 63 -8.919 7.037 -2.741 521 HB2 GLU 63 2HB GLU 63 -10.011 9.314 -2.564 522 HB3 GLU 63 1HB GLU 63 -11.504 8.548 -3.099 523 HG2 GLU 63 2HG GLU 63 -11.429 7.058 -1.190 524 HG3 GLU 63 1HG GLU 63 -9.926 7.812 -0.664 525 H GLU 64 H GLU 64 -11.398 7.028 -5.259 526 HA GLU 64 HA GLU 64 -12.874 4.826 -4.316 527 HB2 GLU 64 2HB GLU 64 -13.703 4.639 -6.648 528 HB3 GLU 64 1HB GLU 64 -13.815 6.266 -5.994 529 HG2 GLU 64 2HG GLU 64 -11.762 6.871 -7.208 530 HG3 GLU 64 1HG GLU 64 -11.728 5.250 -7.907 531 H GLU 65 H GLU 65 -9.899 5.042 -6.100 532 HA GLU 65 HA GLU 65 -9.737 2.346 -6.979 533 HB2 GLU 65 2HB GLU 65 -8.331 4.134 -7.905 534 HB3 GLU 65 1HB GLU 65 -7.568 4.364 -6.341 535 HG2 GLU 65 2HG GLU 65 -6.014 3.158 -7.566 536 HG3 GLU 65 1HG GLU 65 -6.796 1.941 -6.560 537 H PHE 66 H PHE 66 -8.216 4.063 -4.276 538 HA PHE 66 HA PHE 66 -7.095 1.841 -3.004 539 HD1 PHE 66 HD1 PHE 66 -4.742 2.759 -1.851 540 HD2 PHE 66 HD2 PHE 66 -8.108 3.652 0.592 541 HE1 PHE 66 HE1 PHE 66 -3.495 2.006 0.130 542 HE2 PHE 66 HE2 PHE 66 -6.868 2.899 2.580 543 HZ PHE 66 HZ PHE 66 -4.563 2.079 2.350 544 HB2 PHE 66 2HB PHE 66 -6.576 4.278 -2.596 545 HB3 PHE 66 1HB PHE 66 -8.058 4.366 -1.652 546 H ALA 67 H ALA 67 -10.301 3.248 -2.820 547 HA ALA 67 HA ALA 67 -11.280 1.867 -0.585 548 HB1 ALA 67 3HB ALA 67 -12.462 3.745 -1.600 549 HB2 ALA 67 1HB ALA 67 -13.504 2.328 -1.490 550 HB3 ALA 67 2HB ALA 67 -12.786 2.775 -3.036 551 H LEU 68 H LEU 68 -11.162 0.967 -4.007 552 HA LEU 68 HA LEU 68 -12.528 -1.498 -3.717 553 HG LEU 68 HG LEU 68 -12.607 0.720 -5.827 554 HB2 LEU 68 2HB LEU 68 -10.514 -0.606 -5.783 555 HB3 LEU 68 1HB LEU 68 -11.467 -2.073 -5.894 556 HD11 LEU 68 1HD1 LEU 68 -12.220 -1.193 -8.122 557 HD12 LEU 68 2HD1 LEU 68 -11.388 0.342 -7.884 558 HD13 LEU 68 3HD1 LEU 68 -13.123 0.318 -8.197 559 HD21 LEU 68 3HD2 LEU 68 -14.699 -0.369 -6.448 560 HD22 LEU 68 1HD2 LEU 68 -14.108 -0.967 -4.896 561 HD23 LEU 68 2HD2 LEU 68 -13.912 -1.946 -6.351 562 H TRP 69 H TRP 69 -9.124 -0.577 -3.638 563 HA TRP 69 HA TRP 69 -7.998 -3.131 -3.445 564 HD1 TRP 69 HD1 TRP 69 -8.176 -1.214 -5.394 565 HE1 TRP 69 HE1 TRP 69 -6.655 -0.427 -7.315 566 HE3 TRP 69 HE3 TRP 69 -3.807 -0.741 -2.801 567 HZ2 TRP 69 HZ2 TRP 69 -3.948 0.283 -7.673 568 HZ3 TRP 69 HZ3 TRP 69 -1.797 -0.001 -4.004 569 HH2 TRP 69 HH2 TRP 69 -1.867 0.496 -6.391 570 HB2 TRP 69 2HB TRP 69 -7.027 -0.521 -2.268 571 HB3 TRP 69 1HB TRP 69 -6.064 -1.991 -2.347 572 H ARG 70 H ARG 70 -8.852 -0.882 -0.810 573 HA ARG 70 HA ARG 70 -8.104 -2.651 1.263 574 HE ARG 70 HE ARG 70 -10.593 0.912 3.729 575 HB2 ARG 70 2HB ARG 70 -9.277 -1.118 2.767 576 HB3 ARG 70 1HB ARG 70 -8.282 -0.238 1.619 577 HG2 ARG 70 2HG ARG 70 -10.490 -0.073 0.251 578 HG3 ARG 70 1HG ARG 70 -11.250 -0.422 1.804 579 HD2 ARG 70 2HD ARG 70 -9.267 1.797 1.341 580 HD3 ARG 70 1HD ARG 70 -11.015 2.009 1.282 581 HH11 ARG 70 1HH1 ARG 70 -9.273 3.659 2.021 582 HH12 ARG 70 2HH1 ARG 70 -8.957 4.591 3.451 583 HH21 ARG 70 1HH2 ARG 70 -10.227 2.137 5.638 584 HH22 ARG 70 2HH2 ARG 70 -9.545 3.732 5.515 585 H SER 71 H SER 71 -11.004 -2.340 -0.604 586 HA SER 71 HA SER 71 -12.684 -3.821 1.159 587 HG SER 71 HG SER 71 -15.207 -3.424 -0.216 588 HB2 SER 71 2HB SER 71 -13.514 -2.251 -0.608 589 HB3 SER 71 1HB SER 71 -12.988 -3.408 -1.828 590 H ALA 72 H ALA 72 -10.699 -4.613 -1.661 591 HA ALA 72 HA ALA 72 -11.623 -7.333 -1.748 592 HB1 ALA 72 3HB ALA 72 -10.041 -7.605 -3.572 593 HB2 ALA 72 1HB ALA 72 -9.328 -6.033 -3.207 594 HB3 ALA 72 2HB ALA 72 -10.992 -6.134 -3.785 595 H VAL 73 H VAL 73 -8.735 -5.674 -0.558 596 HA VAL 73 HA VAL 73 -7.309 -8.136 -0.139 597 HB VAL 73 HB VAL 73 -6.650 -5.329 0.756 598 HG11 VAL 73 1HG1 VAL 73 -4.915 -7.797 0.740 599 HG12 VAL 73 2HG1 VAL 73 -5.545 -6.980 2.171 600 HG13 VAL 73 3HG1 VAL 73 -4.382 -6.161 1.129 601 HG21 VAL 73 3HG2 VAL 73 -6.693 -5.519 -1.651 602 HG22 VAL 73 1HG2 VAL 73 -5.683 -6.964 -1.586 603 HG23 VAL 73 2HG2 VAL 73 -5.021 -5.403 -1.102 604 H ALA 74 H ALA 74 -8.983 -5.812 1.968 605 HA ALA 74 HA ALA 74 -8.106 -7.171 4.345 606 HB1 ALA 74 3HB ALA 74 -10.177 -5.004 4.024 607 HB2 ALA 74 1HB ALA 74 -8.465 -4.761 4.361 608 HB3 ALA 74 2HB ALA 74 -9.491 -5.563 5.549 609 H ALA 75 H ALA 75 -11.129 -7.005 2.494 610 HA ALA 75 HA ALA 75 -12.510 -8.651 4.437 611 HB1 ALA 75 3HB ALA 75 -13.726 -6.857 3.333 612 HB2 ALA 75 1HB ALA 75 -14.447 -8.419 2.952 613 HB3 ALA 75 2HB ALA 75 -13.432 -7.603 1.763 614 H HIS 76 H HIS 76 -10.182 -9.556 2.610 615 HA HIS 76 HA HIS 76 -11.485 -11.902 1.419 616 HD1 HIS 76 HD1 HIS 76 -8.292 -13.807 0.768 617 HD2 HIS 76 HD2 HIS 76 -10.699 -11.863 -2.003 618 HE1 HIS 76 HE1 HIS 76 -8.465 -15.374 -1.191 619 HE2 HIS 76 HE2 HIS 76 -9.769 -14.098 -2.925 620 HB2 HIS 76 2HB HIS 76 -9.802 -10.405 0.141 621 HB3 HIS 76 1HB HIS 76 -8.572 -11.184 1.128 622 H GLY 77 H GLY 77 -10.390 -11.057 4.312 623 HA2 GLY 77 2HA GLY 77 -8.928 -13.540 4.866 624 HA3 GLY 77 1HA GLY 77 -9.121 -12.182 5.972 625 H GLU 78 H GLU 78 -10.807 -14.868 4.439 626 HA GLU 78 HA GLU 78 -13.014 -14.585 6.338 627 HB2 GLU 78 2HB GLU 78 -14.231 -16.105 4.915 628 HB3 GLU 78 1HB GLU 78 -13.504 -14.855 3.917 629 HG2 GLU 78 2HG GLU 78 -12.254 -17.556 4.308 630 HG3 GLU 78 1HG GLU 78 -13.415 -17.214 3.029 631 H LYS 79 H LYS 79 -10.153 -16.291 5.988 632 HA LYS 79 HA LYS 79 -11.052 -18.839 6.950 633 HB2 LYS 79 2HB LYS 79 -8.238 -17.789 6.650 634 HB3 LYS 79 1HB LYS 79 -8.702 -19.470 6.873 635 HG2 LYS 79 2HG LYS 79 -9.853 -19.458 4.740 636 HG3 LYS 79 1HG LYS 79 -9.456 -17.753 4.520 637 HD2 LYS 79 2HD LYS 79 -7.041 -18.389 4.648 638 HD3 LYS 79 1HD LYS 79 -7.550 -20.080 4.630 639 HE2 LYS 79 2HE LYS 79 -6.960 -19.394 2.394 640 HE3 LYS 79 1HE LYS 79 -8.697 -19.680 2.486 641 HZ1 LYS 79 3HZ LYS 79 -8.137 -17.660 1.258 642 HZ2 LYS 79 1HZ LYS 79 -7.395 -17.014 2.640 643 HZ3 LYS 79 2HZ LYS 79 -9.070 -17.310 2.637 644 H ALA 80 H ALA 80 -9.072 -16.212 8.328 645 HA ALA 80 HA ALA 80 -9.628 -17.346 10.980 646 HB1 ALA 80 3HB ALA 80 -6.950 -16.276 10.093 647 HB2 ALA 80 1HB ALA 80 -7.354 -17.981 10.290 648 HB3 ALA 80 2HB ALA 80 -7.351 -16.909 11.691 649 H LEU 81 H LEU 81 -10.501 -15.937 12.308 650 HA LEU 81 HA LEU 81 -9.921 -13.077 11.946 651 HG LEU 81 HG LEU 81 -11.753 -12.621 10.364 652 HB2 LEU 81 2HB LEU 81 -12.548 -14.370 12.674 653 HB3 LEU 81 1HB LEU 81 -12.225 -12.665 12.892 654 HD11 LEU 81 1HD1 LEU 81 -13.307 -15.200 10.540 655 HD12 LEU 81 2HD1 LEU 81 -11.640 -15.023 9.991 656 HD13 LEU 81 3HD1 LEU 81 -12.956 -14.308 9.061 657 HD21 LEU 81 3HD2 LEU 81 -13.683 -11.577 11.421 658 HD22 LEU 81 1HD2 LEU 81 -14.543 -13.116 11.386 659 HD23 LEU 81 2HD2 LEU 81 -14.121 -12.305 9.877 660 H LYS 82 H LYS 82 -8.277 -13.211 13.519 661 HA LYS 82 HA LYS 82 -8.807 -14.040 16.203 662 HB2 LYS 82 2HB LYS 82 -6.512 -13.822 15.209 663 HB3 LYS 82 1HB LYS 82 -6.720 -12.076 15.207 664 HG2 LYS 82 2HG LYS 82 -6.898 -12.086 17.638 665 HG3 LYS 82 1HG LYS 82 -6.712 -13.841 17.647 666 HD2 LYS 82 2HD LYS 82 -4.491 -13.546 16.562 667 HD3 LYS 82 1HD LYS 82 -4.684 -11.800 16.742 668 HE2 LYS 82 2HE LYS 82 -4.870 -12.084 19.173 669 HE3 LYS 82 1HE LYS 82 -4.650 -13.822 18.979 670 HZ1 LYS 82 3HZ LYS 82 -2.679 -11.682 18.402 671 HZ2 LYS 82 1HZ LYS 82 -2.458 -13.302 17.945 672 HZ3 LYS 82 2HZ LYS 82 -2.575 -12.890 19.586 673 H VAL 83 H VAL 83 -9.101 -12.605 18.054 674 HA VAL 83 HA VAL 83 -11.137 -10.744 17.726 675 HB VAL 83 HB VAL 83 -10.613 -11.820 19.877 676 HG11 VAL 83 1HG1 VAL 83 -8.286 -9.908 19.991 677 HG12 VAL 83 2HG1 VAL 83 -8.193 -11.662 19.838 678 HG13 VAL 83 3HG1 VAL 83 -8.838 -10.939 21.310 679 HG21 VAL 83 3HG2 VAL 83 -10.607 -8.808 20.020 680 HG22 VAL 83 1HG2 VAL 83 -11.081 -9.907 21.316 681 HG23 VAL 83 2HG2 VAL 83 -12.028 -9.832 19.831 682 H THR 84 H THR 84 -7.691 -10.279 17.554 683 HA THR 84 HA THR 84 -7.721 -7.424 17.635 684 HB THR 84 HB THR 84 -5.580 -9.117 16.380 685 HG1 THR 84 HG1 THR 84 -5.043 -8.752 18.957 686 HG21 THR 84 3HG2 THR 84 -5.288 -6.690 16.275 687 HG22 THR 84 1HG2 THR 84 -4.094 -7.415 17.350 688 HG23 THR 84 2HG2 THR 84 -5.495 -6.581 18.023 689 H MET 85 H MET 85 -8.318 -9.801 15.230 690 HA MET 85 HA MET 85 -7.503 -8.247 12.960 691 HB2 MET 85 2HB MET 85 -8.890 -10.889 13.320 692 HB3 MET 85 1HB MET 85 -8.744 -10.164 11.726 693 HG2 MET 85 2HG MET 85 -6.343 -10.187 11.886 694 HG3 MET 85 1HG MET 85 -6.428 -10.763 13.548 695 HE1 MET 85 3HE MET 85 -4.970 -13.825 11.548 696 HE2 MET 85 1HE MET 85 -4.712 -12.734 12.909 697 HE3 MET 85 2HE MET 85 -4.664 -12.112 11.259 698 H ILE 86 H ILE 86 -10.505 -8.838 14.676 699 HA ILE 86 HA ILE 86 -12.301 -7.880 12.749 700 HB ILE 86 HB ILE 86 -12.479 -7.757 15.763 701 HG12 ILE 86 2HG1 ILE 86 -14.360 -9.513 15.036 702 HG13 ILE 86 1HG1 ILE 86 -13.268 -9.719 13.670 703 HG21 ILE 86 1HG2 ILE 86 -14.632 -7.178 13.732 704 HG22 ILE 86 2HG2 ILE 86 -13.888 -6.013 14.827 705 HG23 ILE 86 3HG2 ILE 86 -14.875 -7.324 15.472 706 HD11 ILE 86 3HD1 ILE 86 -11.456 -10.278 15.186 707 HD12 ILE 86 1HD1 ILE 86 -12.842 -11.341 15.431 708 HD13 ILE 86 2HD1 ILE 86 -12.525 -10.029 16.566 709 H GLN 87 H GLN 87 -10.363 -6.188 15.155 710 HA GLN 87 HA GLN 87 -11.263 -3.595 14.919 711 HB2 GLN 87 2HB GLN 87 -9.538 -4.238 16.493 712 HB3 GLN 87 1HB GLN 87 -8.446 -4.641 15.178 713 HG2 GLN 87 2HG GLN 87 -8.448 -2.257 14.512 714 HG3 GLN 87 1HG GLN 87 -9.425 -1.901 15.936 715 HE21 GLN 87 1HE2 GLN 87 -6.867 -4.303 15.904 716 HE22 GLN 87 2HE2 GLN 87 -5.788 -3.434 16.936 717 H LYS 88 H LYS 88 -8.872 -5.260 12.907 718 HA LYS 88 HA LYS 88 -8.305 -3.095 11.185 719 HB2 LYS 88 2HB LYS 88 -8.062 -6.063 10.650 720 HB3 LYS 88 1HB LYS 88 -7.278 -4.788 9.733 721 HG2 LYS 88 2HG LYS 88 -6.769 -4.989 12.662 722 HG3 LYS 88 1HG LYS 88 -5.982 -6.126 11.570 723 HD2 LYS 88 2HD LYS 88 -4.463 -4.341 11.854 724 HD3 LYS 88 1HD LYS 88 -5.179 -4.115 10.260 725 HE2 LYS 88 2HE LYS 88 -5.051 -1.988 11.358 726 HE3 LYS 88 1HE LYS 88 -6.744 -2.467 11.258 727 HZ1 LYS 88 3HZ LYS 88 -5.115 -2.995 13.671 728 HZ2 LYS 88 1HZ LYS 88 -6.800 -2.963 13.523 729 HZ3 LYS 88 2HZ LYS 88 -5.918 -1.517 13.450 730 H TYR 89 H TYR 89 -10.784 -5.560 11.203 731 HA TYR 89 HA TYR 89 -11.637 -5.002 8.504 732 HD1 TYR 89 HD2 TYR 89 -10.655 -6.637 7.760 733 HD2 TYR 89 HD1 TYR 89 -12.416 -8.943 10.871 734 HE1 TYR 89 HE2 TYR 89 -9.076 -8.462 7.291 735 HE2 TYR 89 HE1 TYR 89 -10.841 -10.776 10.411 736 HH TYR 89 HH TYR 89 -8.091 -10.404 8.466 737 HB2 TYR 89 2HB TYR 89 -12.972 -6.659 10.654 738 HB3 TYR 89 1HB TYR 89 -13.440 -6.609 8.960 739 H ARG 90 H ARG 90 -12.300 -3.742 11.632 740 HA ARG 90 HA ARG 90 -14.868 -2.640 10.886 741 HE ARG 90 HE ARG 90 -13.449 -2.211 15.398 742 HB2 ARG 90 2HB ARG 90 -13.131 -2.175 13.314 743 HB3 ARG 90 1HB ARG 90 -14.706 -1.431 13.077 744 HG2 ARG 90 2HG ARG 90 -15.639 -3.769 12.879 745 HG3 ARG 90 1HG ARG 90 -14.070 -4.343 13.444 746 HD2 ARG 90 2HD ARG 90 -15.941 -2.487 14.909 747 HD3 ARG 90 1HD ARG 90 -15.630 -4.178 15.295 748 HH11 ARG 90 1HH1 ARG 90 -15.495 -4.580 16.968 749 HH12 ARG 90 2HH1 ARG 90 -14.585 -4.568 18.451 750 HH21 ARG 90 1HH2 ARG 90 -12.254 -2.172 17.356 751 HH22 ARG 90 2HH2 ARG 90 -12.749 -3.199 18.679 752 H GLN 91 H GLN 91 -11.551 -1.706 10.751 753 HA GLN 91 HA GLN 91 -12.316 1.033 10.011 754 HB2 GLN 91 2HB GLN 91 -9.925 1.556 10.117 755 HB3 GLN 91 1HB GLN 91 -10.481 0.839 11.623 756 HG2 GLN 91 2HG GLN 91 -9.516 -1.291 10.987 757 HG3 GLN 91 1HG GLN 91 -9.003 -0.617 9.440 758 HE21 GLN 91 1HE2 GLN 91 -7.289 0.838 9.393 759 HE22 GLN 91 2HE2 GLN 91 -6.199 1.020 10.718 760 H LEU 92 H LEU 92 -12.524 -1.626 8.530 761 HA LEU 92 HA LEU 92 -10.820 -1.656 6.326 762 HG LEU 92 HG LEU 92 -11.961 -2.985 4.301 763 HB2 LEU 92 2HB LEU 92 -12.095 -3.583 6.892 764 HB3 LEU 92 1HB LEU 92 -13.604 -2.708 6.779 765 HD11 LEU 92 1HD1 LEU 92 -13.664 -5.179 5.487 766 HD12 LEU 92 2HD1 LEU 92 -11.914 -5.229 5.257 767 HD13 LEU 92 3HD1 LEU 92 -12.988 -5.170 3.858 768 HD21 LEU 92 3HD2 LEU 92 -14.210 -3.140 3.306 769 HD22 LEU 92 1HD2 LEU 92 -14.009 -1.675 4.269 770 HD23 LEU 92 2HD2 LEU 92 -14.913 -3.038 4.923 771 H HIS 93 H HIS 93 -14.048 -0.176 6.694 772 HA HIS 93 HA HIS 93 -13.568 1.230 4.152 773 HD1 HIS 93 HD1 HIS 93 -17.665 2.723 4.987 774 HD2 HIS 93 HD2 HIS 93 -15.225 1.555 1.822 775 HE1 HIS 93 HE1 HIS 93 -18.360 4.138 3.031 776 HE2 HIS 93 HE2 HIS 93 -16.989 3.303 1.088 777 HB2 HIS 93 2HB HIS 93 -15.631 -0.146 4.240 778 HB3 HIS 93 1HB HIS 93 -16.197 0.822 5.598 779 H HIS 94 H HIS 94 -14.915 1.725 7.404 780 HA HIS 94 HA HIS 94 -13.616 4.330 7.462 781 HD1 HIS 94 HD1 HIS 94 -17.029 5.572 9.960 782 HD2 HIS 94 HD2 HIS 94 -14.352 7.201 7.232 783 HE1 HIS 94 HE1 HIS 94 -16.606 7.917 10.750 784 HE2 HIS 94 HE2 HIS 94 -14.825 8.812 9.206 785 HB2 HIS 94 2HB HIS 94 -15.901 4.787 6.603 786 HB3 HIS 94 1HB HIS 94 -16.577 4.035 8.045 787 H HIS 95 H HIS 95 -16.200 3.273 9.583 788 HA HIS 95 HA HIS 95 -14.685 2.122 11.641 789 HD1 HIS 95 HD1 HIS 95 -12.496 5.797 11.452 790 HD2 HIS 95 HD2 HIS 95 -12.853 2.277 13.643 791 HE1 HIS 95 HE1 HIS 95 -10.158 5.189 12.148 792 HE2 HIS 95 HE2 HIS 95 -10.377 2.986 13.346 793 HB2 HIS 95 2HB HIS 95 -14.845 5.097 11.679 794 HB3 HIS 95 1HB HIS 95 -15.152 4.267 13.198 Start of MODEL 13 1 HA MET 1 HA MET 1 9.034 17.342 3.402 2 H1 MET 1 1H MET 1 7.155 16.664 5.584 3 H2 MET 1 2H MET 1 7.728 15.596 4.400 4 H3 MET 1 3H MET 1 6.739 16.901 3.956 5 HB2 MET 1 2HB MET 1 7.357 19.098 4.393 6 HB3 MET 1 1HB MET 1 8.413 19.055 5.797 7 HG2 MET 1 2HG MET 1 10.312 19.673 4.342 8 HG3 MET 1 1HG MET 1 9.190 19.808 2.987 9 HE1 MET 1 3HE MET 1 11.114 22.164 3.755 10 HE2 MET 1 1HE MET 1 10.026 23.551 3.705 11 HE3 MET 1 2HE MET 1 9.914 22.296 2.470 12 H TYR 2 H TYR 2 10.875 18.591 5.131 13 HA TYR 2 HA TYR 2 12.209 16.239 6.087 14 HD1 TYR 2 HD2 TYR 2 14.668 16.341 4.534 15 HD2 TYR 2 HD1 TYR 2 12.489 19.973 4.173 16 HE1 TYR 2 HE2 TYR 2 15.151 16.387 2.125 17 HE2 TYR 2 HE1 TYR 2 12.966 20.030 1.764 18 HH TYR 2 HH TYR 2 14.663 19.128 0.205 19 HB2 TYR 2 2HB TYR 2 13.065 19.131 6.334 20 HB3 TYR 2 1HB TYR 2 14.094 17.712 6.516 21 H LEU 3 H LEU 3 11.603 19.355 7.740 22 HA LEU 3 HA LEU 3 11.682 18.042 10.320 23 HG LEU 3 HG LEU 3 13.125 21.417 10.902 24 HB2 LEU 3 2HB LEU 3 11.105 20.896 9.506 25 HB3 LEU 3 1HB LEU 3 11.038 20.344 11.166 26 HD11 LEU 3 1HD1 LEU 3 13.234 19.355 12.173 27 HD12 LEU 3 2HD1 LEU 3 14.739 19.634 11.298 28 HD13 LEU 3 3HD1 LEU 3 13.578 18.449 10.700 29 HD21 LEU 3 3HD2 LEU 3 13.247 21.460 8.480 30 HD22 LEU 3 1HD2 LEU 3 13.566 19.725 8.446 31 HD23 LEU 3 2HD2 LEU 3 14.745 20.825 9.163 32 H LYS 4 H LYS 4 9.314 19.562 8.222 33 HA LYS 4 HA LYS 4 7.103 18.808 9.940 34 HB2 LYS 4 2HB LYS 4 7.098 20.040 7.174 35 HB3 LYS 4 1HB LYS 4 5.704 19.888 8.239 36 HG2 LYS 4 2HG LYS 4 6.612 21.451 9.782 37 HG3 LYS 4 1HG LYS 4 8.172 21.452 8.956 38 HD2 LYS 4 2HD LYS 4 7.123 22.453 6.984 39 HD3 LYS 4 1HD LYS 4 5.565 22.453 7.814 40 HE2 LYS 4 2HE LYS 4 6.417 23.971 9.495 41 HE3 LYS 4 1HE LYS 4 8.028 23.903 8.779 42 HZ1 LYS 4 3HZ LYS 4 7.211 24.987 6.818 43 HZ2 LYS 4 1HZ LYS 4 6.774 25.913 8.169 44 HZ3 LYS 4 2HZ LYS 4 5.616 24.946 7.392 45 H ARG 5 H ARG 5 7.597 16.510 9.862 46 HA ARG 5 HA ARG 5 6.700 15.267 7.346 47 HE ARG 5 HE ARG 5 8.919 11.278 5.699 48 HB2 ARG 5 2HB ARG 5 9.163 14.995 7.872 49 HB3 ARG 5 1HB ARG 5 8.680 14.052 9.275 50 HG2 ARG 5 2HG ARG 5 7.632 12.403 7.856 51 HG3 ARG 5 1HG ARG 5 7.978 13.378 6.425 52 HD2 ARG 5 2HD ARG 5 10.399 13.163 6.937 53 HD3 ARG 5 1HD ARG 5 9.986 12.072 8.259 54 HH11 ARG 5 1HH1 ARG 5 11.654 11.068 7.878 55 HH12 ARG 5 2HH1 ARG 5 12.267 9.608 7.158 56 HH21 ARG 5 1HH2 ARG 5 9.716 9.370 4.755 57 HH22 ARG 5 2HH2 ARG 5 11.159 8.629 5.391 58 H VAL 6 H VAL 6 5.287 13.564 7.503 59 HA VAL 6 HA VAL 6 3.739 13.344 9.891 60 HB VAL 6 HB VAL 6 3.738 11.533 7.463 61 HG11 VAL 6 1HG1 VAL 6 1.684 11.906 9.641 62 HG12 VAL 6 2HG1 VAL 6 2.688 10.478 9.385 63 HG13 VAL 6 3HG1 VAL 6 1.470 10.928 8.189 64 HG21 VAL 6 3HG2 VAL 6 3.275 13.843 6.856 65 HG22 VAL 6 1HG2 VAL 6 2.030 13.935 8.102 66 HG23 VAL 6 2HG2 VAL 6 1.815 12.862 6.720 67 H ASP 7 H ASP 7 3.993 11.985 11.576 68 HA ASP 7 HA ASP 7 6.365 10.429 11.780 69 HB2 ASP 7 2HB ASP 7 5.458 11.481 13.761 70 HB3 ASP 7 1HB ASP 7 3.949 10.587 13.594 71 H GLY 8 H GLY 8 6.604 8.659 10.642 72 HA2 GLY 8 2HA GLY 8 4.619 6.536 11.009 73 HA3 GLY 8 1HA GLY 8 5.160 6.929 9.381 74 HA PRO 9 HA PRO 9 8.223 4.103 11.778 75 HB2 PRO 9 2HB PRO 9 6.818 1.743 10.774 76 HB3 PRO 9 1HB PRO 9 7.324 2.123 12.422 77 HG2 PRO 9 2HG PRO 9 4.729 2.103 11.666 78 HG3 PRO 9 1HG PRO 9 5.349 3.191 12.920 79 HD2 PRO 9 2HD PRO 9 4.731 3.767 10.046 80 HD3 PRO 9 1HD PRO 9 4.412 4.757 11.487 81 H ARG 10 H ARG 10 9.836 2.838 10.761 82 HA ARG 10 HA ARG 10 10.052 3.262 7.908 83 HE ARG 10 HE ARG 10 14.210 2.498 8.397 84 HB2 ARG 10 2HB ARG 10 11.881 1.961 9.932 85 HB3 ARG 10 1HB ARG 10 12.272 2.100 8.224 86 HG2 ARG 10 2HG ARG 10 12.371 4.456 8.341 87 HG3 ARG 10 1HG ARG 10 11.637 4.475 9.947 88 HD2 ARG 10 2HD ARG 10 14.096 4.856 9.949 89 HD3 ARG 10 1HD ARG 10 13.579 3.479 10.919 90 HH11 ARG 10 1HH1 ARG 10 15.861 4.092 11.057 91 HH12 ARG 10 2HH1 ARG 10 17.385 3.314 10.728 92 HH21 ARG 10 1HH2 ARG 10 16.195 1.505 7.967 93 HH22 ARG 10 2HH2 ARG 10 17.581 1.862 8.951 94 H GLN 11 H GLN 11 9.117 0.754 10.058 95 HA GLN 11 HA GLN 11 8.355 -0.908 7.837 96 HB2 GLN 11 2HB GLN 11 9.490 -2.930 8.716 97 HB3 GLN 11 1HB GLN 11 10.610 -1.705 8.139 98 HG2 GLN 11 2HG GLN 11 11.080 -1.019 10.414 99 HG3 GLN 11 1HG GLN 11 9.892 -2.173 11.025 100 HE21 GLN 11 1HE2 GLN 11 11.433 -3.257 12.253 101 HE22 GLN 11 2HE2 GLN 11 12.615 -4.297 11.526 102 H VAL 12 H VAL 12 6.680 -2.251 8.298 103 HA VAL 12 HA VAL 12 5.722 -2.290 11.087 104 HB VAL 12 HB VAL 12 3.408 -2.409 10.165 105 HG11 VAL 12 1HG1 VAL 12 4.285 -0.306 11.017 106 HG12 VAL 12 2HG1 VAL 12 3.226 -0.017 9.638 107 HG13 VAL 12 3HG1 VAL 12 4.976 0.060 9.437 108 HG21 VAL 12 3HG2 VAL 12 3.015 -1.697 7.852 109 HG22 VAL 12 1HG2 VAL 12 3.924 -3.207 7.929 110 HG23 VAL 12 2HG2 VAL 12 4.756 -1.694 7.567 111 H THR 13 H THR 13 4.324 -4.171 11.585 112 HA THR 13 HA THR 13 5.428 -6.556 10.300 113 HB THR 13 HB THR 13 3.757 -6.417 12.815 114 HG1 THR 13 HG1 THR 13 6.337 -5.664 12.352 115 HG21 THR 13 3HG2 THR 13 5.669 -8.516 11.770 116 HG22 THR 13 1HG2 THR 13 3.911 -8.640 11.786 117 HG23 THR 13 2HG2 THR 13 4.803 -8.584 13.305 118 H LEU 14 H LEU 14 4.203 -8.072 9.274 119 HA LEU 14 HA LEU 14 1.412 -7.413 8.711 120 HG LEU 14 HG LEU 14 2.782 -8.540 5.410 121 HB2 LEU 14 2HB LEU 14 3.230 -9.573 7.632 122 HB3 LEU 14 1HB LEU 14 1.539 -9.438 7.208 123 HD11 LEU 14 1HD1 LEU 14 1.779 -6.223 7.047 124 HD12 LEU 14 2HD1 LEU 14 0.795 -7.254 6.010 125 HD13 LEU 14 3HD1 LEU 14 2.047 -6.230 5.304 126 HD21 LEU 14 3HD2 LEU 14 4.500 -6.938 5.577 127 HD22 LEU 14 1HD2 LEU 14 4.863 -8.191 6.757 128 HD23 LEU 14 2HD2 LEU 14 4.172 -6.656 7.287 129 HA PRO 15 HA PRO 15 -0.165 -10.437 11.635 130 HB2 PRO 15 2HB PRO 15 -2.404 -10.701 9.734 131 HB3 PRO 15 1HB PRO 15 -2.427 -10.205 11.428 132 HG2 PRO 15 2HG PRO 15 -2.845 -8.455 9.432 133 HG3 PRO 15 1HG PRO 15 -2.015 -7.997 10.930 134 HD2 PRO 15 2HD PRO 15 -0.869 -8.590 8.230 135 HD3 PRO 15 1HD PRO 15 -0.379 -7.371 9.425 136 H ASP 16 H ASP 16 0.638 -10.842 8.392 137 HA ASP 16 HA ASP 16 0.104 -13.676 8.222 138 HB2 ASP 16 2HB ASP 16 1.709 -11.887 6.379 139 HB3 ASP 16 1HB ASP 16 1.153 -13.514 6.015 140 H GLY 17 H GLY 17 2.299 -11.865 9.833 141 HA2 GLY 17 2HA GLY 17 4.255 -12.436 10.918 142 HA3 GLY 17 1HA GLY 17 4.156 -14.027 10.181 143 H THR 18 H THR 18 4.603 -10.677 9.105 144 HA THR 18 HA THR 18 7.082 -11.386 7.764 145 HB THR 18 HB THR 18 4.837 -10.131 6.159 146 HG1 THR 18 HG1 THR 18 5.292 -12.762 6.806 147 HG21 THR 18 3HG2 THR 18 7.452 -11.403 5.331 148 HG22 THR 18 1HG2 THR 18 7.096 -9.677 5.331 149 HG23 THR 18 2HG2 THR 18 6.234 -10.756 4.233 150 H VAL 19 H VAL 19 8.096 -9.330 6.809 151 HA VAL 19 HA VAL 19 7.365 -7.017 8.482 152 HB VAL 19 HB VAL 19 10.065 -7.668 7.282 153 HG11 VAL 19 1HG1 VAL 19 10.870 -5.797 8.677 154 HG12 VAL 19 2HG1 VAL 19 9.200 -5.436 9.118 155 HG13 VAL 19 3HG1 VAL 19 9.722 -5.277 7.441 156 HG21 VAL 19 3HG2 VAL 19 9.520 -9.186 9.097 157 HG22 VAL 19 1HG2 VAL 19 9.105 -7.824 10.138 158 HG23 VAL 19 2HG2 VAL 19 10.770 -8.050 9.603 159 H LEU 20 H LEU 20 6.791 -5.183 7.516 160 HA LEU 20 HA LEU 20 7.192 -4.932 4.604 161 HG LEU 20 HG LEU 20 5.276 -2.397 4.483 162 HB2 LEU 20 2HB LEU 20 4.850 -5.303 5.129 163 HB3 LEU 20 1HB LEU 20 4.874 -4.028 6.325 164 HD11 LEU 20 1HD1 LEU 20 6.249 -3.947 2.859 165 HD12 LEU 20 2HD1 LEU 20 4.858 -3.098 2.188 166 HD13 LEU 20 3HD1 LEU 20 4.698 -4.772 2.719 167 HD21 LEU 20 3HD2 LEU 20 3.052 -2.773 5.389 168 HD22 LEU 20 1HD2 LEU 20 2.800 -4.094 4.246 169 HD23 LEU 20 2HD2 LEU 20 2.981 -2.441 3.659 170 H SER 21 H SER 21 8.993 -3.634 4.585 171 HA SER 21 HA SER 21 9.014 -1.228 6.226 172 HG SER 21 HG SER 21 10.825 -3.119 3.695 173 HB2 SER 21 2HB SER 21 11.265 -0.881 5.400 174 HB3 SER 21 1HB SER 21 11.106 -2.566 5.883 175 H ARG 22 H ARG 22 9.738 0.838 4.971 176 HA ARG 22 HA ARG 22 7.678 1.402 3.082 177 HE ARG 22 HE ARG 22 6.613 5.256 5.574 178 HB2 ARG 22 2HB ARG 22 10.122 3.089 3.628 179 HB3 ARG 22 1HB ARG 22 8.581 3.627 2.976 180 HG2 ARG 22 2HG ARG 22 7.552 2.933 5.171 181 HG3 ARG 22 1HG ARG 22 9.196 2.732 5.777 182 HD2 ARG 22 2HD ARG 22 8.829 4.883 6.421 183 HD3 ARG 22 1HD ARG 22 9.456 5.182 4.802 184 HH11 ARG 22 1HH1 ARG 22 9.190 6.098 3.343 185 HH12 ARG 22 2HH1 ARG 22 8.218 7.249 2.467 186 HH21 ARG 22 1HH2 ARG 22 5.354 6.781 4.433 187 HH22 ARG 22 2HH2 ARG 22 6.030 7.638 3.083 188 H ALA 23 H ALA 23 10.734 -0.002 2.828 189 HA ALA 23 HA ALA 23 11.101 0.695 0.025 190 HB1 ALA 23 3HB ALA 23 13.158 -0.608 0.181 191 HB2 ALA 23 1HB ALA 23 12.725 -1.105 1.817 192 HB3 ALA 23 2HB ALA 23 13.063 0.589 1.472 193 H ASP 24 H ASP 24 9.352 -1.536 1.789 194 HA ASP 24 HA ASP 24 9.549 -3.687 -0.158 195 HB2 ASP 24 2HB ASP 24 7.992 -3.340 2.391 196 HB3 ASP 24 1HB ASP 24 7.640 -4.659 1.280 197 H LEU 25 H LEU 25 7.979 -0.793 0.051 198 HA LEU 25 HA LEU 25 5.459 -1.416 -1.086 199 HG LEU 25 HG LEU 25 6.084 0.432 1.132 200 HB2 LEU 25 2HB LEU 25 7.116 1.101 -1.039 201 HB3 LEU 25 1HB LEU 25 5.526 1.026 -1.772 202 HD11 LEU 25 1HD1 LEU 25 5.049 2.610 1.563 203 HD12 LEU 25 2HD1 LEU 25 4.978 2.913 -0.171 204 HD13 LEU 25 3HD1 LEU 25 6.539 2.765 0.634 205 HD21 LEU 25 3HD2 LEU 25 3.506 0.830 -0.381 206 HD22 LEU 25 1HD2 LEU 25 3.653 0.594 1.360 207 HD23 LEU 25 2HD2 LEU 25 4.111 -0.700 0.254 208 HA PRO 26 HA PRO 26 6.559 -2.212 -5.311 209 HB2 PRO 26 2HB PRO 26 4.341 -1.211 -6.560 210 HB3 PRO 26 1HB PRO 26 4.374 -2.771 -5.733 211 HG2 PRO 26 2HG PRO 26 3.366 -0.130 -4.753 212 HG3 PRO 26 1HG PRO 26 2.645 -1.741 -4.581 213 HD2 PRO 26 2HD PRO 26 3.997 -0.567 -2.573 214 HD3 PRO 26 1HD PRO 26 4.055 -2.324 -2.842 215 HA PRO 27 HA PRO 27 8.442 1.485 -6.739 216 HB2 PRO 27 2HB PRO 27 8.821 0.875 -9.357 217 HB3 PRO 27 1HB PRO 27 9.768 0.153 -8.051 218 HG2 PRO 27 2HG PRO 27 7.402 -0.954 -9.514 219 HG3 PRO 27 1HG PRO 27 8.920 -1.760 -9.068 220 HD2 PRO 27 2HD PRO 27 6.654 -2.087 -7.639 221 HD3 PRO 27 1HD PRO 27 8.256 -2.075 -6.875 222 H LEU 28 H LEU 28 8.268 3.235 -8.342 223 HA LEU 28 HA LEU 28 5.508 4.017 -8.599 224 HG LEU 28 HG LEU 28 8.065 5.219 -7.078 225 HB2 LEU 28 2HB LEU 28 8.007 5.448 -9.503 226 HB3 LEU 28 1HB LEU 28 6.402 6.144 -9.419 227 HD11 LEU 28 1HD1 LEU 28 8.849 7.298 -8.068 228 HD12 LEU 28 2HD1 LEU 28 8.107 7.590 -6.493 229 HD13 LEU 28 3HD1 LEU 28 7.221 7.970 -7.972 230 HD21 LEU 28 3HD2 LEU 28 5.690 4.811 -6.687 231 HD22 LEU 28 1HD2 LEU 28 5.328 6.481 -7.120 232 HD23 LEU 28 2HD2 LEU 28 6.286 6.132 -5.682 233 H ASP 29 H ASP 29 7.731 2.415 -10.565 234 HA ASP 29 HA ASP 29 6.639 3.277 -13.097 235 HB2 ASP 29 2HB ASP 29 8.068 1.515 -14.073 236 HB3 ASP 29 1HB ASP 29 8.974 2.581 -13.006 237 H THR 30 H THR 30 5.400 1.497 -10.706 238 HA THR 30 HA THR 30 4.331 -0.683 -12.257 239 HB THR 30 HB THR 30 3.795 0.181 -9.414 240 HG1 THR 30 HG1 THR 30 5.875 -0.979 -10.456 241 HG21 THR 30 3HG2 THR 30 1.892 -1.057 -10.390 242 HG22 THR 30 1HG2 THR 30 2.708 -1.969 -9.120 243 HG23 THR 30 2HG2 THR 30 2.991 -2.372 -10.813 244 H ARG 31 H ARG 31 2.686 -0.508 -13.510 245 HA ARG 31 HA ARG 31 0.414 1.142 -12.649 246 HE ARG 31 HE ARG 31 0.982 3.810 -13.753 247 HB2 ARG 31 2HB ARG 31 1.716 2.126 -14.587 248 HB3 ARG 31 1HB ARG 31 1.229 0.722 -15.527 249 HG2 ARG 31 2HG ARG 31 -0.164 2.731 -15.907 250 HG3 ARG 31 1HG ARG 31 -1.070 1.321 -15.358 251 HD2 ARG 31 2HD ARG 31 -1.707 3.495 -14.266 252 HD3 ARG 31 1HD ARG 31 -1.273 2.195 -13.160 253 HH11 ARG 31 1HH1 ARG 31 -2.002 3.838 -11.906 254 HH12 ARG 31 2HH1 ARG 31 -1.359 4.877 -10.667 255 HH21 ARG 31 1HH2 ARG 31 1.829 5.150 -12.112 256 HH22 ARG 31 2HH2 ARG 31 0.807 5.614 -10.779 257 H ARG 32 H ARG 32 1.654 -1.706 -14.271 258 HA ARG 32 HA ARG 32 -0.932 -2.956 -14.448 259 HE ARG 32 HE ARG 32 -2.233 -6.684 -15.138 260 HB2 ARG 32 2HB ARG 32 1.224 -3.484 -15.840 261 HB3 ARG 32 1HB ARG 32 1.673 -4.468 -14.454 262 HG2 ARG 32 2HG ARG 32 -0.945 -4.792 -15.887 263 HG3 ARG 32 1HG ARG 32 0.517 -5.653 -16.364 264 HD2 ARG 32 2HD ARG 32 0.604 -6.836 -14.336 265 HD3 ARG 32 1HD ARG 32 -0.540 -5.745 -13.557 266 HH11 ARG 32 1HH1 ARG 32 0.618 -8.538 -14.274 267 HH12 ARG 32 2HH1 ARG 32 -0.167 -10.075 -14.502 268 HH21 ARG 32 1HH2 ARG 32 -3.253 -8.687 -15.448 269 HH22 ARG 32 2HH2 ARG 32 -2.366 -10.163 -15.191 270 H TRP 33 H TRP 33 -1.619 -2.516 -12.322 271 HA TRP 33 HA TRP 33 -0.158 -3.470 -10.056 272 HD1 TRP 33 HD1 TRP 33 -2.163 -0.044 -11.343 273 HE1 TRP 33 HE1 TRP 33 -0.755 1.881 -10.374 274 HE3 TRP 33 HE3 TRP 33 -0.261 -2.424 -7.244 275 HZ2 TRP 33 HZ2 TRP 33 0.925 2.331 -8.155 276 HZ3 TRP 33 HZ3 TRP 33 1.233 -1.174 -5.743 277 HH2 TRP 33 HH2 TRP 33 1.815 1.153 -6.194 278 HB2 TRP 33 2HB TRP 33 -2.945 -2.368 -10.380 279 HB3 TRP 33 1HB TRP 33 -2.291 -2.870 -8.824 280 H VAL 34 H VAL 34 0.087 -5.565 -9.728 281 HA VAL 34 HA VAL 34 -2.128 -7.415 -10.098 282 HB VAL 34 HB VAL 34 -0.508 -9.142 -9.291 283 HG11 VAL 34 1HG1 VAL 34 0.411 -7.430 -11.595 284 HG12 VAL 34 2HG1 VAL 34 -0.779 -8.727 -11.666 285 HG13 VAL 34 3HG1 VAL 34 0.905 -9.096 -11.299 286 HG21 VAL 34 3HG2 VAL 34 0.894 -7.732 -7.887 287 HG22 VAL 34 1HG2 VAL 34 1.435 -6.831 -9.305 288 HG23 VAL 34 2HG2 VAL 34 1.867 -8.531 -9.120 289 H ALA 35 H ALA 35 -2.403 -9.048 -8.197 290 HA ALA 35 HA ALA 35 -3.653 -7.612 -6.144 291 HB1 ALA 35 3HB ALA 35 -4.330 -9.858 -6.825 292 HB2 ALA 35 1HB ALA 35 -4.045 -9.769 -5.087 293 HB3 ALA 35 2HB ALA 35 -2.844 -10.515 -6.141 294 H SER 36 H SER 36 -0.545 -9.333 -6.150 295 HA SER 36 HA SER 36 0.010 -9.054 -3.417 296 HG SER 36 HG SER 36 2.764 -9.137 -6.282 297 HB2 SER 36 2HB SER 36 2.443 -9.336 -4.218 298 HB3 SER 36 1HB SER 36 1.305 -10.630 -4.595 299 H ARG 37 H ARG 37 0.749 -6.933 -6.148 300 HA ARG 37 HA ARG 37 2.296 -5.104 -4.613 301 HE ARG 37 HE ARG 37 5.559 -4.827 -7.860 302 HB2 ARG 37 2HB ARG 37 1.052 -4.959 -7.344 303 HB3 ARG 37 1HB ARG 37 1.860 -3.569 -6.628 304 HG2 ARG 37 2HG ARG 37 3.905 -4.916 -6.383 305 HG3 ARG 37 1HG ARG 37 3.089 -6.259 -7.185 306 HD2 ARG 37 2HD ARG 37 3.077 -5.199 -9.235 307 HD3 ARG 37 1HD ARG 37 3.216 -3.594 -8.518 308 HH11 ARG 37 1HH1 ARG 37 3.884 -4.317 -10.894 309 HH12 ARG 37 2HH1 ARG 37 5.335 -4.063 -11.812 310 HH21 ARG 37 1HH2 ARG 37 7.483 -4.513 -9.065 311 HH22 ARG 37 2HH2 ARG 37 7.386 -4.173 -10.765 312 H LYS 38 H LYS 38 -1.098 -5.224 -5.576 313 HA LYS 38 HA LYS 38 -1.815 -2.696 -4.523 314 HB2 LYS 38 2HB LYS 38 -3.484 -5.189 -4.906 315 HB3 LYS 38 1HB LYS 38 -4.137 -3.620 -4.467 316 HG2 LYS 38 2HG LYS 38 -3.238 -2.700 -6.582 317 HG3 LYS 38 1HG LYS 38 -2.726 -4.328 -7.027 318 HD2 LYS 38 2HD LYS 38 -5.073 -5.080 -6.847 319 HD3 LYS 38 1HD LYS 38 -5.555 -3.419 -6.495 320 HE2 LYS 38 2HE LYS 38 -4.683 -2.711 -8.678 321 HE3 LYS 38 1HE LYS 38 -4.206 -4.374 -9.022 322 HZ1 LYS 38 3HZ LYS 38 -6.245 -4.043 -10.104 323 HZ2 LYS 38 1HZ LYS 38 -6.952 -3.285 -8.760 324 HZ3 LYS 38 2HZ LYS 38 -6.626 -4.947 -8.724 325 H ALA 39 H ALA 39 -1.738 -5.936 -3.125 326 HA ALA 39 HA ALA 39 -2.926 -5.339 -0.660 327 HB1 ALA 39 3HB ALA 39 -0.878 -7.461 -1.286 328 HB2 ALA 39 1HB ALA 39 -2.624 -7.620 -1.477 329 HB3 ALA 39 2HB ALA 39 -1.927 -7.419 0.130 330 H ALA 40 H ALA 40 0.473 -5.267 -1.673 331 HA ALA 40 HA ALA 40 1.601 -4.734 0.837 332 HB1 ALA 40 3HB ALA 40 2.579 -3.861 -1.885 333 HB2 ALA 40 1HB ALA 40 2.939 -5.396 -1.091 334 HB3 ALA 40 2HB ALA 40 3.537 -3.885 -0.404 335 H VAL 41 H VAL 41 0.305 -2.543 -1.632 336 HA VAL 41 HA VAL 41 1.054 -0.125 -0.371 337 HB VAL 41 HB VAL 41 -1.255 -0.648 -2.251 338 HG11 VAL 41 1HG1 VAL 41 -1.191 1.757 -2.700 339 HG12 VAL 41 2HG1 VAL 41 0.054 1.954 -1.468 340 HG13 VAL 41 3HG1 VAL 41 -1.564 1.427 -1.008 341 HG21 VAL 41 3HG2 VAL 41 0.237 0.198 -3.987 342 HG22 VAL 41 1HG2 VAL 41 0.911 -1.235 -3.206 343 HG23 VAL 41 2HG2 VAL 41 1.530 0.363 -2.797 344 H VAL 42 H VAL 42 -2.035 -1.906 -0.359 345 HA VAL 42 HA VAL 42 -3.340 -0.021 1.298 346 HB VAL 42 HB VAL 42 -4.573 -1.545 -0.194 347 HG11 VAL 42 1HG1 VAL 42 -4.998 -3.868 0.479 348 HG12 VAL 42 2HG1 VAL 42 -3.813 -3.694 1.774 349 HG13 VAL 42 3HG1 VAL 42 -3.301 -3.580 0.091 350 HG21 VAL 42 3HG2 VAL 42 -6.382 -2.130 1.387 351 HG22 VAL 42 1HG2 VAL 42 -5.786 -0.482 1.581 352 HG23 VAL 42 2HG2 VAL 42 -5.298 -1.735 2.721 353 H LYS 43 H LYS 43 -1.639 -3.064 2.018 354 HA LYS 43 HA LYS 43 -2.371 -3.157 4.750 355 HB2 LYS 43 2HB LYS 43 -0.032 -4.351 3.267 356 HB3 LYS 43 1HB LYS 43 -0.296 -4.609 4.985 357 HG2 LYS 43 2HG LYS 43 -2.490 -5.607 4.468 358 HG3 LYS 43 1HG LYS 43 -2.148 -5.412 2.748 359 HD2 LYS 43 2HD LYS 43 -0.195 -6.865 2.962 360 HD3 LYS 43 1HD LYS 43 -0.496 -7.033 4.692 361 HE2 LYS 43 2HE LYS 43 -2.694 -8.047 4.156 362 HE3 LYS 43 1HE LYS 43 -2.280 -7.969 2.445 363 HZ1 LYS 43 3HZ LYS 43 -0.819 -9.510 4.527 364 HZ2 LYS 43 1HZ LYS 43 -0.366 -9.404 2.895 365 HZ3 LYS 43 2HZ LYS 43 -1.826 -10.157 3.330 366 H ALA 44 H ALA 44 0.156 -1.487 3.014 367 HA ALA 44 HA ALA 44 1.757 -0.735 5.193 368 HB1 ALA 44 3HB ALA 44 2.491 -0.475 2.884 369 HB2 ALA 44 1HB ALA 44 2.579 1.058 3.747 370 HB3 ALA 44 2HB ALA 44 1.258 0.755 2.618 371 H VAL 45 H VAL 45 -1.036 0.853 3.689 372 HA VAL 45 HA VAL 45 -1.063 3.099 5.420 373 HB VAL 45 HB VAL 45 -3.371 1.894 3.880 374 HG11 VAL 45 1HG1 VAL 45 -3.007 4.675 4.994 375 HG12 VAL 45 2HG1 VAL 45 -4.094 3.439 5.632 376 HG13 VAL 45 3HG1 VAL 45 -4.371 4.115 4.025 377 HG21 VAL 45 3HG2 VAL 45 -2.841 3.573 2.167 378 HG22 VAL 45 1HG2 VAL 45 -1.521 2.426 2.398 379 HG23 VAL 45 2HG2 VAL 45 -1.414 4.048 3.087 380 H ILE 46 H ILE 46 -2.815 0.019 5.438 381 HA ILE 46 HA ILE 46 -4.479 0.555 7.635 382 HB ILE 46 HB ILE 46 -3.479 -2.105 6.603 383 HG12 ILE 46 2HG1 ILE 46 -6.052 -0.598 6.085 384 HG13 ILE 46 1HG1 ILE 46 -4.708 -0.740 4.957 385 HG21 ILE 46 1HG2 ILE 46 -4.310 -2.335 8.883 386 HG22 ILE 46 2HG2 ILE 46 -5.415 -3.090 7.735 387 HG23 ILE 46 3HG2 ILE 46 -5.807 -1.517 8.431 388 HD11 ILE 46 3HD1 ILE 46 -6.374 -3.024 5.986 389 HD12 ILE 46 1HD1 ILE 46 -5.061 -3.136 4.813 390 HD13 ILE 46 2HD1 ILE 46 -6.536 -2.254 4.405 391 H HIS 47 H HIS 47 -1.146 -0.547 7.506 392 HA HIS 47 HA HIS 47 -1.174 -1.120 10.371 393 HD1 HIS 47 HD1 HIS 47 -1.015 -3.421 10.898 394 HD2 HIS 47 HD2 HIS 47 0.638 -3.872 7.109 395 HE1 HIS 47 HE1 HIS 47 -1.631 -5.739 10.164 396 HE2 HIS 47 HE2 HIS 47 -0.793 -5.911 7.798 397 HB2 HIS 47 2HB HIS 47 0.967 -1.469 8.277 398 HB3 HIS 47 1HB HIS 47 1.242 -1.750 9.994 399 H GLY 48 H GLY 48 -0.541 1.507 8.330 400 HA2 GLY 48 2HA GLY 48 -0.184 3.680 9.174 401 HA3 GLY 48 1HA GLY 48 0.503 2.978 10.627 402 H LEU 49 H LEU 49 1.778 1.511 7.882 403 HA LEU 49 HA LEU 49 4.393 2.495 8.282 404 HG LEU 49 HG LEU 49 5.368 2.235 5.365 405 HB2 LEU 49 2HB LEU 49 3.947 0.334 7.229 406 HB3 LEU 49 1HB LEU 49 3.162 1.134 5.881 407 HD11 LEU 49 1HD1 LEU 49 7.377 1.249 6.297 408 HD12 LEU 49 2HD1 LEU 49 6.404 0.206 7.336 409 HD13 LEU 49 3HD1 LEU 49 6.383 1.952 7.573 410 HD21 LEU 49 3HD2 LEU 49 5.276 -0.774 5.296 411 HD22 LEU 49 1HD2 LEU 49 6.303 0.253 4.298 412 HD23 LEU 49 2HD2 LEU 49 4.552 0.311 4.113 413 H ILE 50 H ILE 50 1.874 3.244 5.953 414 HA ILE 50 HA ILE 50 3.124 5.859 5.514 415 HB ILE 50 HB ILE 50 2.472 5.857 3.165 416 HG12 ILE 50 2HG1 ILE 50 1.715 2.950 3.514 417 HG13 ILE 50 1HG1 ILE 50 0.549 4.268 3.454 418 HG21 ILE 50 1HG2 ILE 50 4.086 4.202 2.299 419 HG22 ILE 50 2HG2 ILE 50 4.151 3.460 3.896 420 HG23 ILE 50 3HG2 ILE 50 4.721 5.113 3.671 421 HD11 ILE 50 3HD1 ILE 50 0.748 3.127 1.314 422 HD12 ILE 50 1HD1 ILE 50 2.464 3.525 1.256 423 HD13 ILE 50 2HD1 ILE 50 1.258 4.811 1.198 424 H THR 51 H THR 51 1.344 7.287 4.331 425 HA THR 51 HA THR 51 -1.181 6.744 5.712 426 HB THR 51 HB THR 51 -0.325 8.854 6.424 427 HG1 THR 51 HG1 THR 51 -2.439 9.185 6.196 428 HG21 THR 51 3HG2 THR 51 -0.046 9.597 3.517 429 HG22 THR 51 1HG2 THR 51 1.270 9.288 4.646 430 HG23 THR 51 2HG2 THR 51 0.216 10.683 4.879 431 H GLU 52 H GLU 52 -3.165 7.263 4.564 432 HA GLU 52 HA GLU 52 -3.337 5.996 2.085 433 HB2 GLU 52 2HB GLU 52 -5.161 6.480 3.813 434 HB3 GLU 52 1HB GLU 52 -5.286 8.069 3.077 435 HG2 GLU 52 2HG GLU 52 -5.863 7.032 0.939 436 HG3 GLU 52 1HG GLU 52 -5.746 5.437 1.689 437 H ARG 53 H ARG 53 -3.086 9.411 2.907 438 HA ARG 53 HA ARG 53 -3.436 10.443 0.292 439 HE ARG 53 HE ARG 53 -3.615 15.046 -0.231 440 HB2 ARG 53 2HB ARG 53 -3.308 11.535 2.773 441 HB3 ARG 53 1HB ARG 53 -1.704 11.934 2.180 442 HG2 ARG 53 2HG ARG 53 -4.267 12.631 0.756 443 HG3 ARG 53 1HG ARG 53 -3.385 13.720 1.830 444 HD2 ARG 53 2HD ARG 53 -1.434 13.574 0.357 445 HD3 ARG 53 1HD ARG 53 -2.330 12.502 -0.718 446 HH11 ARG 53 1HH1 ARG 53 -1.339 13.291 -2.222 447 HH12 ARG 53 2HH1 ARG 53 -1.478 14.369 -3.572 448 HH21 ARG 53 1HH2 ARG 53 -3.833 16.461 -2.032 449 HH22 ARG 53 2HH2 ARG 53 -2.913 16.154 -3.477 450 H GLU 54 H GLU 54 -0.758 9.085 2.008 451 HA GLU 54 HA GLU 54 1.368 10.006 0.375 452 HB2 GLU 54 2HB GLU 54 1.978 9.142 2.483 453 HB3 GLU 54 1HB GLU 54 0.985 7.710 2.281 454 HG2 GLU 54 2HG GLU 54 3.108 6.873 2.080 455 HG3 GLU 54 1HG GLU 54 2.647 7.113 0.397 456 H ALA 55 H ALA 55 -0.519 7.001 0.438 457 HA ALA 55 HA ALA 55 0.809 5.775 -1.734 458 HB1 ALA 55 3HB ALA 55 -1.055 4.191 -1.725 459 HB2 ALA 55 1HB ALA 55 -1.957 5.259 -0.650 460 HB3 ALA 55 2HB ALA 55 -0.464 4.501 -0.094 461 H LEU 56 H LEU 56 -2.229 7.584 -1.524 462 HA LEU 56 HA LEU 56 -3.063 7.246 -4.174 463 HG LEU 56 HG LEU 56 -4.307 7.458 -1.296 464 HB2 LEU 56 2HB LEU 56 -3.584 9.587 -2.339 465 HB3 LEU 56 1HB LEU 56 -4.510 9.178 -3.768 466 HD11 LEU 56 1HD1 LEU 56 -6.535 9.235 -2.270 467 HD12 LEU 56 2HD1 LEU 56 -5.526 9.507 -0.848 468 HD13 LEU 56 3HD1 LEU 56 -6.624 8.129 -0.900 469 HD21 LEU 56 3HD2 LEU 56 -4.683 6.169 -3.332 470 HD22 LEU 56 1HD2 LEU 56 -6.040 7.215 -3.751 471 HD23 LEU 56 2HD2 LEU 56 -6.127 6.190 -2.319 472 H ASP 57 H ASP 57 -0.839 9.560 -2.739 473 HA ASP 57 HA ASP 57 -0.844 11.262 -5.061 474 HB2 ASP 57 2HB ASP 57 -0.449 12.054 -2.698 475 HB3 ASP 57 1HB ASP 57 1.133 11.289 -2.783 476 H ARG 58 H ARG 58 1.438 8.973 -3.601 477 HA ARG 58 HA ARG 58 3.503 9.541 -5.478 478 HE ARG 58 HE ARG 58 5.285 5.203 -3.240 479 HB2 ARG 58 2HB ARG 58 4.710 7.678 -4.463 480 HB3 ARG 58 1HB ARG 58 4.008 8.715 -3.233 481 HG2 ARG 58 2HG ARG 58 2.113 7.073 -3.085 482 HG3 ARG 58 1HG ARG 58 3.071 5.998 -4.104 483 HD2 ARG 58 2HD ARG 58 3.972 7.145 -1.462 484 HD3 ARG 58 1HD ARG 58 3.307 5.527 -1.682 485 HH11 ARG 58 1HH1 ARG 58 5.356 7.422 -0.531 486 HH12 ARG 58 2HH1 ARG 58 7.060 7.210 -0.233 487 HH21 ARG 58 1HH2 ARG 58 7.531 4.924 -2.857 488 HH22 ARG 58 2HH2 ARG 58 8.294 5.789 -1.558 489 H TYR 59 H TYR 59 0.959 7.106 -5.355 490 HA TYR 59 HA TYR 59 2.112 5.787 -7.706 491 HD1 TYR 59 HD2 TYR 59 3.175 3.809 -7.018 492 HD2 TYR 59 HD1 TYR 59 0.320 4.205 -3.894 493 HE1 TYR 59 HE2 TYR 59 4.759 2.770 -5.449 494 HE2 TYR 59 HE1 TYR 59 1.897 3.173 -2.315 495 HH TYR 59 HH TYR 59 3.860 1.639 -2.414 496 HB2 TYR 59 2HB TYR 59 -0.237 4.960 -5.984 497 HB3 TYR 59 1HB TYR 59 0.445 4.022 -7.308 498 H SER 60 H SER 60 0.068 8.268 -7.081 499 HA SER 60 HA SER 60 -1.539 9.388 -8.206 500 HG SER 60 HG SER 60 -2.381 9.868 -10.260 501 HB2 SER 60 2HB SER 60 0.096 9.212 -10.072 502 HB3 SER 60 1HB SER 60 -0.673 7.711 -10.578 503 H LEU 61 H LEU 61 -2.964 8.198 -6.776 504 HA LEU 61 HA LEU 61 -4.798 6.458 -8.278 505 HG LEU 61 HG LEU 61 -2.270 5.165 -7.097 506 HB2 LEU 61 2HB LEU 61 -3.888 6.069 -5.425 507 HB3 LEU 61 1HB LEU 61 -5.153 5.146 -6.210 508 HD11 LEU 61 1HD1 LEU 61 -2.499 4.170 -4.881 509 HD12 LEU 61 2HD1 LEU 61 -2.135 2.946 -6.096 510 HD13 LEU 61 3HD1 LEU 61 -3.779 3.115 -5.483 511 HD21 LEU 61 3HD2 LEU 61 -4.593 3.407 -7.874 512 HD22 LEU 61 1HD2 LEU 61 -2.927 3.218 -8.420 513 HD23 LEU 61 2HD2 LEU 61 -3.849 4.647 -8.882 514 H SER 62 H SER 62 -6.975 6.491 -7.499 515 HA SER 62 HA SER 62 -7.657 8.973 -6.092 516 HG SER 62 HG SER 62 -7.955 9.339 -8.524 517 HB2 SER 62 2HB SER 62 -9.521 7.152 -7.625 518 HB3 SER 62 1HB SER 62 -9.817 8.816 -7.120 519 H GLU 63 H GLU 63 -9.426 8.869 -4.503 520 HA GLU 63 HA GLU 63 -8.981 6.915 -2.563 521 HB2 GLU 63 2HB GLU 63 -10.015 9.263 -2.342 522 HB3 GLU 63 1HB GLU 63 -11.535 8.483 -2.765 523 HG2 GLU 63 2HG GLU 63 -11.195 6.925 -0.875 524 HG3 GLU 63 1HG GLU 63 -9.773 7.861 -0.423 525 H GLU 64 H GLU 64 -11.477 7.189 -5.061 526 HA GLU 64 HA GLU 64 -13.059 5.011 -4.263 527 HB2 GLU 64 2HB GLU 64 -13.849 4.960 -6.610 528 HB3 GLU 64 1HB GLU 64 -13.856 6.579 -5.924 529 HG2 GLU 64 2HG GLU 64 -11.810 7.114 -7.112 530 HG3 GLU 64 1HG GLU 64 -11.732 5.473 -7.753 531 H GLU 65 H GLU 65 -10.139 5.164 -6.200 532 HA GLU 65 HA GLU 65 -10.080 2.460 -7.031 533 HB2 GLU 65 2HB GLU 65 -8.719 4.239 -8.072 534 HB3 GLU 65 1HB GLU 65 -7.804 4.409 -6.584 535 HG2 GLU 65 2HG GLU 65 -6.485 3.162 -8.100 536 HG3 GLU 65 1HG GLU 65 -7.055 2.047 -6.862 537 H PHE 66 H PHE 66 -8.411 4.187 -4.412 538 HA PHE 66 HA PHE 66 -7.206 1.952 -3.234 539 HD1 PHE 66 HD1 PHE 66 -4.798 2.852 -2.089 540 HD2 PHE 66 HD2 PHE 66 -8.145 3.652 0.409 541 HE1 PHE 66 HE1 PHE 66 -3.522 2.060 -0.143 542 HE2 PHE 66 HE2 PHE 66 -6.877 2.860 2.365 543 HZ PHE 66 HZ PHE 66 -4.565 2.069 2.090 544 HB2 PHE 66 2HB PHE 66 -6.641 4.359 -2.786 545 HB3 PHE 66 1HB PHE 66 -8.101 4.462 -1.806 546 H ALA 67 H ALA 67 -10.396 3.373 -2.819 547 HA ALA 67 HA ALA 67 -11.262 1.938 -0.588 548 HB1 ALA 67 3HB ALA 67 -13.528 2.371 -1.378 549 HB2 ALA 67 1HB ALA 67 -12.900 2.825 -2.961 550 HB3 ALA 67 2HB ALA 67 -12.518 3.805 -1.546 551 H LEU 68 H LEU 68 -11.373 1.100 -4.035 552 HA LEU 68 HA LEU 68 -12.622 -1.403 -3.763 553 HG LEU 68 HG LEU 68 -12.637 0.875 -5.905 554 HB2 LEU 68 2HB LEU 68 -10.598 -0.486 -5.811 555 HB3 LEU 68 1HB LEU 68 -11.561 -1.944 -5.941 556 HD11 LEU 68 1HD1 LEU 68 -12.387 -1.122 -8.149 557 HD12 LEU 68 2HD1 LEU 68 -11.447 0.357 -7.961 558 HD13 LEU 68 3HD1 LEU 68 -13.184 0.448 -8.251 559 HD21 LEU 68 3HD2 LEU 68 -14.780 -0.164 -6.469 560 HD22 LEU 68 1HD2 LEU 68 -14.197 -0.698 -4.895 561 HD23 LEU 68 2HD2 LEU 68 -14.051 -1.762 -6.294 562 H TRP 69 H TRP 69 -9.214 -0.451 -3.730 563 HA TRP 69 HA TRP 69 -8.085 -3.005 -3.516 564 HD1 TRP 69 HD1 TRP 69 -8.295 -1.101 -5.491 565 HE1 TRP 69 HE1 TRP 69 -6.800 -0.400 -7.458 566 HE3 TRP 69 HE3 TRP 69 -3.844 -0.674 -3.008 567 HZ2 TRP 69 HZ2 TRP 69 -4.088 0.231 -7.903 568 HZ3 TRP 69 HZ3 TRP 69 -1.847 -0.019 -4.285 569 HH2 TRP 69 HH2 TRP 69 -1.968 0.419 -6.679 570 HB2 TRP 69 2HB TRP 69 -7.086 -0.370 -2.411 571 HB3 TRP 69 1HB TRP 69 -6.131 -1.844 -2.465 572 H ARG 70 H ARG 70 -8.853 -0.711 -0.889 573 HA ARG 70 HA ARG 70 -8.102 -2.498 1.172 574 HE ARG 70 HE ARG 70 -10.239 1.273 3.769 575 HB2 ARG 70 2HB ARG 70 -9.298 -0.900 2.682 576 HB3 ARG 70 1HB ARG 70 -8.097 -0.152 1.638 577 HG2 ARG 70 2HG ARG 70 -10.031 0.385 0.077 578 HG3 ARG 70 1HG ARG 70 -11.081 -0.052 1.422 579 HD2 ARG 70 2HD ARG 70 -8.878 1.923 1.832 580 HD3 ARG 70 1HD ARG 70 -10.374 2.431 1.054 581 HH11 ARG 70 1HH1 ARG 70 -11.555 3.521 1.429 582 HH12 ARG 70 2HH1 ARG 70 -12.690 4.222 2.534 583 HH21 ARG 70 1HH2 ARG 70 -11.728 2.209 5.243 584 HH22 ARG 70 2HH2 ARG 70 -12.809 3.457 4.696 585 H SER 71 H SER 71 -11.158 -1.933 -0.464 586 HA SER 71 HA SER 71 -12.731 -3.458 1.361 587 HG SER 71 HG SER 71 -15.397 -2.950 0.142 588 HB2 SER 71 2HB SER 71 -13.699 -1.779 -0.196 589 HB3 SER 71 1HB SER 71 -13.279 -2.825 -1.552 590 H ALA 72 H ALA 72 -10.898 -4.183 -1.542 591 HA ALA 72 HA ALA 72 -11.894 -6.814 -1.911 592 HB1 ALA 72 3HB ALA 72 -10.029 -7.103 -3.450 593 HB2 ALA 72 1HB ALA 72 -9.284 -5.625 -2.843 594 HB3 ALA 72 2HB ALA 72 -10.818 -5.547 -3.710 595 H VAL 73 H VAL 73 -8.853 -5.585 -0.547 596 HA VAL 73 HA VAL 73 -7.825 -8.111 0.153 597 HB VAL 73 HB VAL 73 -7.164 -5.388 1.277 598 HG11 VAL 73 1HG1 VAL 73 -5.592 -7.961 1.446 599 HG12 VAL 73 2HG1 VAL 73 -6.420 -7.167 2.785 600 HG13 VAL 73 3HG1 VAL 73 -5.048 -6.379 2.005 601 HG21 VAL 73 3HG2 VAL 73 -5.259 -5.489 -0.279 602 HG22 VAL 73 1HG2 VAL 73 -6.812 -5.520 -1.116 603 HG23 VAL 73 2HG2 VAL 73 -5.887 -7.008 -0.922 604 H ALA 74 H ALA 74 -9.677 -5.729 2.030 605 HA ALA 74 HA ALA 74 -9.502 -7.043 4.513 606 HB1 ALA 74 3HB ALA 74 -11.385 -5.686 5.199 607 HB2 ALA 74 1HB ALA 74 -11.746 -5.294 3.517 608 HB3 ALA 74 2HB ALA 74 -10.253 -4.719 4.257 609 H ALA 75 H ALA 75 -11.965 -7.224 1.957 610 HA ALA 75 HA ALA 75 -13.580 -9.112 3.396 611 HB1 ALA 75 3HB ALA 75 -14.558 -7.497 1.829 612 HB2 ALA 75 1HB ALA 75 -14.962 -9.163 1.404 613 HB3 ALA 75 2HB ALA 75 -13.721 -8.297 0.498 614 H HIS 76 H HIS 76 -10.815 -9.352 1.441 615 HA HIS 76 HA HIS 76 -11.214 -11.988 0.448 616 HD1 HIS 76 HD1 HIS 76 -10.019 -12.697 -1.800 617 HD2 HIS 76 HD2 HIS 76 -6.715 -12.532 0.722 618 HE1 HIS 76 HE1 HIS 76 -8.475 -14.524 -2.578 619 HE2 HIS 76 HE2 HIS 76 -6.375 -14.212 -1.216 620 HB2 HIS 76 2HB HIS 76 -9.511 -10.332 -0.404 621 HB3 HIS 76 1HB HIS 76 -8.582 -10.624 1.059 622 H GLY 77 H GLY 77 -11.724 -13.534 1.871 623 HA2 GLY 77 2HA GLY 77 -11.514 -14.970 3.667 624 HA3 GLY 77 1HA GLY 77 -9.970 -14.211 4.041 625 H GLU 78 H GLU 78 -13.304 -12.997 3.823 626 HA GLU 78 HA GLU 78 -12.855 -11.350 6.160 627 HB2 GLU 78 2HB GLU 78 -15.071 -10.424 5.694 628 HB3 GLU 78 1HB GLU 78 -14.062 -10.413 4.254 629 HG2 GLU 78 2HG GLU 78 -15.239 -12.223 3.298 630 HG3 GLU 78 1HG GLU 78 -16.059 -12.584 4.816 631 H LYS 79 H LYS 79 -14.048 -14.448 5.555 632 HA LYS 79 HA LYS 79 -15.955 -14.461 7.730 633 HB2 LYS 79 2HB LYS 79 -14.922 -16.748 6.042 634 HB3 LYS 79 1HB LYS 79 -16.293 -16.817 7.145 635 HG2 LYS 79 2HG LYS 79 -17.468 -15.154 5.787 636 HG3 LYS 79 1HG LYS 79 -16.096 -15.091 4.682 637 HD2 LYS 79 2HD LYS 79 -17.692 -16.503 3.663 638 HD3 LYS 79 1HD LYS 79 -16.444 -17.565 4.307 639 HE2 LYS 79 2HE LYS 79 -18.930 -16.942 5.866 640 HE3 LYS 79 1HE LYS 79 -18.905 -18.220 4.654 641 HZ1 LYS 79 3HZ LYS 79 -17.008 -19.204 5.898 642 HZ2 LYS 79 1HZ LYS 79 -18.464 -19.181 6.767 643 HZ3 LYS 79 2HZ LYS 79 -17.253 -18.053 7.118 644 H ALA 80 H ALA 80 -12.625 -14.930 7.332 645 HA ALA 80 HA ALA 80 -12.362 -16.514 9.763 646 HB1 ALA 80 3HB ALA 80 -9.976 -16.588 9.231 647 HB2 ALA 80 1HB ALA 80 -10.240 -15.499 7.871 648 HB3 ALA 80 2HB ALA 80 -10.946 -17.114 7.857 649 H LEU 81 H LEU 81 -13.196 -14.889 11.177 650 HA LEU 81 HA LEU 81 -11.704 -12.419 11.423 651 HG LEU 81 HG LEU 81 -13.805 -11.363 10.909 652 HB2 LEU 81 2HB LEU 81 -14.043 -13.505 12.986 653 HB3 LEU 81 1HB LEU 81 -13.243 -11.997 13.375 654 HD11 LEU 81 1HD1 LEU 81 -15.855 -13.504 11.444 655 HD12 LEU 81 2HD1 LEU 81 -14.589 -13.560 10.220 656 HD13 LEU 81 3HD1 LEU 81 -15.879 -12.364 10.100 657 HD21 LEU 81 3HD2 LEU 81 -14.696 -10.240 12.870 658 HD22 LEU 81 1HD2 LEU 81 -15.913 -11.503 13.056 659 HD23 LEU 81 2HD2 LEU 81 -15.947 -10.447 11.644 660 H LYS 82 H LYS 82 -9.708 -13.612 11.837 661 HA LYS 82 HA LYS 82 -9.271 -14.832 14.377 662 HB2 LYS 82 2HB LYS 82 -7.794 -15.208 12.425 663 HB3 LYS 82 1HB LYS 82 -7.309 -13.520 12.473 664 HG2 LYS 82 2HG LYS 82 -6.310 -13.880 14.683 665 HG3 LYS 82 1HG LYS 82 -6.779 -15.580 14.605 666 HD2 LYS 82 2HD LYS 82 -5.392 -15.873 12.615 667 HD3 LYS 82 1HD LYS 82 -4.928 -14.170 12.685 668 HE2 LYS 82 2HE LYS 82 -3.926 -14.552 14.894 669 HE3 LYS 82 1HE LYS 82 -4.365 -16.257 14.791 670 HZ1 LYS 82 3HZ LYS 82 -2.090 -16.004 14.173 671 HZ2 LYS 82 1HZ LYS 82 -2.457 -14.793 13.046 672 HZ3 LYS 82 2HZ LYS 82 -2.965 -16.392 12.772 673 H VAL 83 H VAL 83 -8.023 -13.868 16.142 674 HA VAL 83 HA VAL 83 -9.047 -11.390 16.959 675 HB VAL 83 HB VAL 83 -8.230 -13.195 18.469 676 HG11 VAL 83 1HG1 VAL 83 -6.152 -13.765 17.393 677 HG12 VAL 83 2HG1 VAL 83 -5.835 -13.246 19.050 678 HG13 VAL 83 3HG1 VAL 83 -5.510 -12.152 17.706 679 HG21 VAL 83 3HG2 VAL 83 -7.070 -10.457 18.956 680 HG22 VAL 83 1HG2 VAL 83 -7.311 -11.701 20.185 681 HG23 VAL 83 2HG2 VAL 83 -8.702 -10.994 19.362 682 H THR 84 H THR 84 -6.495 -12.039 14.830 683 HA THR 84 HA THR 84 -5.445 -9.307 15.155 684 HB THR 84 HB THR 84 -4.065 -11.466 13.577 685 HG1 THR 84 HG1 THR 84 -3.949 -11.021 16.399 686 HG21 THR 84 3HG2 THR 84 -2.055 -10.205 14.182 687 HG22 THR 84 1HG2 THR 84 -3.028 -9.098 15.149 688 HG23 THR 84 2HG2 THR 84 -3.232 -9.152 13.397 689 H MET 85 H MET 85 -7.845 -10.498 13.606 690 HA MET 85 HA MET 85 -7.121 -9.452 10.947 691 HB2 MET 85 2HB MET 85 -8.996 -11.632 11.782 692 HB3 MET 85 1HB MET 85 -9.268 -10.772 10.273 693 HG2 MET 85 2HG MET 85 -6.737 -12.230 11.009 694 HG3 MET 85 1HG MET 85 -8.019 -12.866 9.978 695 HE1 MET 85 3HE MET 85 -6.249 -13.362 8.053 696 HE2 MET 85 1HE MET 85 -4.969 -12.746 9.096 697 HE3 MET 85 2HE MET 85 -5.117 -12.156 7.441 698 H ILE 86 H ILE 86 -8.775 -8.602 13.694 699 HA ILE 86 HA ILE 86 -11.140 -7.516 12.496 700 HB ILE 86 HB ILE 86 -9.869 -6.852 15.161 701 HG12 ILE 86 2HG1 ILE 86 -12.096 -8.133 15.845 702 HG13 ILE 86 1HG1 ILE 86 -11.869 -8.875 14.267 703 HG21 ILE 86 1HG2 ILE 86 -12.027 -5.852 15.748 704 HG22 ILE 86 2HG2 ILE 86 -12.597 -6.132 14.104 705 HG23 ILE 86 3HG2 ILE 86 -11.263 -5.016 14.396 706 HD11 ILE 86 3HD1 ILE 86 -10.901 -10.238 16.005 707 HD12 ILE 86 1HD1 ILE 86 -9.895 -8.889 16.531 708 HD13 ILE 86 2HD1 ILE 86 -9.642 -9.610 14.943 709 H GLN 87 H GLN 87 -7.885 -6.451 12.976 710 HA GLN 87 HA GLN 87 -8.148 -3.693 12.800 711 HB2 GLN 87 2HB GLN 87 -6.052 -4.929 13.319 712 HB3 GLN 87 1HB GLN 87 -5.920 -5.348 11.617 713 HG2 GLN 87 2HG GLN 87 -5.706 -3.017 11.021 714 HG3 GLN 87 1HG GLN 87 -5.941 -2.543 12.702 715 HE21 GLN 87 1HE2 GLN 87 -4.307 -2.934 14.199 716 HE22 GLN 87 2HE2 GLN 87 -2.670 -3.245 13.707 717 H LYS 88 H LYS 88 -8.052 -6.088 10.176 718 HA LYS 88 HA LYS 88 -7.982 -4.112 8.117 719 HB2 LYS 88 2HB LYS 88 -8.388 -5.911 6.547 720 HB3 LYS 88 1HB LYS 88 -7.180 -6.408 7.721 721 HG2 LYS 88 2HG LYS 88 -8.740 -7.806 8.847 722 HG3 LYS 88 1HG LYS 88 -10.084 -7.157 7.905 723 HD2 LYS 88 2HD LYS 88 -9.139 -8.107 5.871 724 HD3 LYS 88 1HD LYS 88 -7.760 -8.725 6.784 725 HE2 LYS 88 2HE LYS 88 -9.139 -10.234 7.998 726 HE3 LYS 88 1HE LYS 88 -10.611 -9.475 7.392 727 HZ1 LYS 88 3HZ LYS 88 -10.179 -11.543 6.249 728 HZ2 LYS 88 1HZ LYS 88 -8.652 -10.996 5.764 729 HZ3 LYS 88 2HZ LYS 88 -10.045 -10.242 5.172 730 H TYR 89 H TYR 89 -10.403 -5.172 10.196 731 HA TYR 89 HA TYR 89 -12.543 -4.239 8.415 732 HD1 TYR 89 HD2 TYR 89 -13.163 -6.223 7.569 733 HD2 TYR 89 HD1 TYR 89 -12.642 -7.694 11.529 734 HE1 TYR 89 HE2 TYR 89 -12.932 -8.507 6.690 735 HE2 TYR 89 HE1 TYR 89 -12.406 -9.977 10.658 736 HH TYR 89 HH TYR 89 -13.151 -11.233 8.550 737 HB2 TYR 89 2HB TYR 89 -12.788 -5.415 11.197 738 HB3 TYR 89 1HB TYR 89 -14.101 -5.106 10.065 739 H ARG 90 H ARG 90 -10.414 -3.115 10.744 740 HA ARG 90 HA ARG 90 -12.174 -1.117 11.884 741 HE ARG 90 HE ARG 90 -10.903 -0.699 15.428 742 HB2 ARG 90 2HB ARG 90 -9.167 -1.383 12.093 743 HB3 ARG 90 1HB ARG 90 -10.178 -0.316 13.057 744 HG2 ARG 90 2HG ARG 90 -10.251 -3.326 13.081 745 HG3 ARG 90 1HG ARG 90 -9.543 -2.288 14.320 746 HD2 ARG 90 2HD ARG 90 -12.440 -2.175 13.512 747 HD3 ARG 90 1HD ARG 90 -11.843 -3.186 14.826 748 HH11 ARG 90 1HH1 ARG 90 -14.084 -1.931 14.616 749 HH12 ARG 90 2HH1 ARG 90 -14.920 -0.884 15.731 750 HH21 ARG 90 1HH2 ARG 90 -11.981 0.672 16.900 751 HH22 ARG 90 2HH2 ARG 90 -13.718 0.599 17.033 752 H GLN 91 H GLN 91 -9.741 -1.379 9.388 753 HA GLN 91 HA GLN 91 -9.504 1.419 8.887 754 HB2 GLN 91 2HB GLN 91 -8.371 0.752 6.797 755 HB3 GLN 91 1HB GLN 91 -7.727 -0.089 8.199 756 HG2 GLN 91 2HG GLN 91 -7.853 -1.761 6.620 757 HG3 GLN 91 1HG GLN 91 -9.347 -1.983 7.524 758 HE21 GLN 91 1HE2 GLN 91 -10.365 -3.022 5.847 759 HE22 GLN 91 2HE2 GLN 91 -10.874 -2.204 4.409 760 H LEU 92 H LEU 92 -11.934 -0.767 8.362 761 HA LEU 92 HA LEU 92 -13.035 0.006 5.917 762 HG LEU 92 HG LEU 92 -15.618 -0.485 5.859 763 HB2 LEU 92 2HB LEU 92 -13.743 -1.995 7.023 764 HB3 LEU 92 1HB LEU 92 -14.262 -1.101 8.436 765 HD11 LEU 92 1HD1 LEU 92 -15.518 -2.924 5.837 766 HD12 LEU 92 2HD1 LEU 92 -17.156 -2.368 6.179 767 HD13 LEU 92 3HD1 LEU 92 -16.138 -2.974 7.487 768 HD21 LEU 92 3HD2 LEU 92 -16.538 -0.801 8.712 769 HD22 LEU 92 1HD2 LEU 92 -17.530 -0.242 7.364 770 HD23 LEU 92 2HD2 LEU 92 -16.156 0.722 7.913 771 H HIS 93 H HIS 93 -13.242 1.457 9.123 772 HA HIS 93 HA HIS 93 -14.978 3.549 8.023 773 HD1 HIS 93 HD1 HIS 93 -14.586 1.076 11.816 774 HD2 HIS 93 HD2 HIS 93 -12.848 4.857 11.689 775 HE1 HIS 93 HE1 HIS 93 -12.941 1.142 13.723 776 HE2 HIS 93 HE2 HIS 93 -11.804 3.385 13.537 777 HB2 HIS 93 2HB HIS 93 -15.350 4.303 10.310 778 HB3 HIS 93 1HB HIS 93 -15.705 2.591 10.172 779 H HIS 94 H HIS 94 -12.150 3.130 7.405 780 HA HIS 94 HA HIS 94 -10.473 4.475 6.697 781 HD1 HIS 94 HD1 HIS 94 -12.759 7.045 4.925 782 HD2 HIS 94 HD2 HIS 94 -8.761 6.955 6.049 783 HE1 HIS 94 HE1 HIS 94 -11.477 7.885 2.933 784 HE2 HIS 94 HE2 HIS 94 -9.054 7.564 3.546 785 HB2 HIS 94 2HB HIS 94 -12.490 6.356 7.257 786 HB3 HIS 94 1HB HIS 94 -11.034 6.969 8.032 787 H HIS 95 H HIS 95 -11.180 6.002 9.835 788 HA HIS 95 HA HIS 95 -8.650 4.919 10.850 789 HD1 HIS 95 HD1 HIS 95 -8.440 8.862 13.021 790 HD2 HIS 95 HD2 HIS 95 -6.080 5.785 11.517 791 HE1 HIS 95 HE1 HIS 95 -6.389 8.798 14.482 792 HE2 HIS 95 HE2 HIS 95 -4.887 7.086 13.406 793 HB2 HIS 95 2HB HIS 95 -8.229 7.186 9.904 794 HB3 HIS 95 1HB HIS 95 -9.434 7.843 11.005 Start of MODEL 14 1 HA MET 1 HA MET 1 12.080 7.631 11.458 2 H1 MET 1 1H MET 1 10.645 7.703 9.568 3 H2 MET 1 2H MET 1 12.252 7.643 9.034 4 H3 MET 1 3H MET 1 11.394 9.106 8.981 5 HB2 MET 1 2HB MET 1 13.316 10.112 10.238 6 HB3 MET 1 1HB MET 1 13.649 9.529 11.863 7 HG2 MET 1 2HG MET 1 14.268 8.126 9.276 8 HG3 MET 1 1HG MET 1 15.421 8.871 10.384 9 HE1 MET 1 3HE MET 1 15.742 5.916 9.303 10 HE2 MET 1 1HE MET 1 16.187 5.050 10.772 11 HE3 MET 1 2HE MET 1 16.870 6.642 10.448 12 H TYR 2 H TYR 2 11.764 9.020 13.385 13 HA TYR 2 HA TYR 2 9.267 10.495 13.104 14 HD1 TYR 2 HD2 TYR 2 10.510 7.221 14.508 15 HD2 TYR 2 HD1 TYR 2 7.181 9.693 15.463 16 HE1 TYR 2 HE2 TYR 2 9.035 5.250 14.445 17 HE2 TYR 2 HE1 TYR 2 5.697 7.733 15.399 18 HH TYR 2 HH TYR 2 6.873 4.538 15.360 19 HB2 TYR 2 2HB TYR 2 10.783 9.508 15.514 20 HB3 TYR 2 1HB TYR 2 9.380 10.559 15.646 21 H LEU 3 H LEU 3 11.856 11.165 15.403 22 HA LEU 3 HA LEU 3 12.996 13.027 15.963 23 HG LEU 3 HG LEU 3 15.086 13.195 14.678 24 HB2 LEU 3 2HB LEU 3 12.569 13.561 13.049 25 HB3 LEU 3 1HB LEU 3 13.270 14.801 14.068 26 HD11 LEU 3 1HD1 LEU 3 15.414 11.235 13.228 27 HD12 LEU 3 2HD1 LEU 3 13.816 11.508 12.531 28 HD13 LEU 3 3HD1 LEU 3 13.975 11.100 14.239 29 HD21 LEU 3 3HD2 LEU 3 14.753 13.785 11.742 30 HD22 LEU 3 1HD2 LEU 3 16.270 13.394 12.554 31 HD23 LEU 3 2HD2 LEU 3 15.413 14.881 12.955 32 H LYS 4 H LYS 4 10.894 14.727 13.693 33 HA LYS 4 HA LYS 4 9.589 16.027 15.993 34 HB2 LYS 4 2HB LYS 4 11.454 17.343 14.727 35 HB3 LYS 4 1HB LYS 4 10.243 17.521 13.464 36 HG2 LYS 4 2HG LYS 4 10.207 19.475 14.825 37 HG3 LYS 4 1HG LYS 4 8.735 18.556 15.149 38 HD2 LYS 4 2HD LYS 4 9.757 17.632 17.169 39 HD3 LYS 4 1HD LYS 4 11.233 18.539 16.841 40 HE2 LYS 4 2HE LYS 4 9.906 19.690 18.507 41 HE3 LYS 4 1HE LYS 4 9.964 20.637 17.021 42 HZ1 LYS 4 3HZ LYS 4 7.769 19.813 16.447 43 HZ2 LYS 4 1HZ LYS 4 7.738 20.573 17.960 44 HZ3 LYS 4 2HZ LYS 4 7.722 18.880 17.861 45 H ARG 5 H ARG 5 9.123 14.042 13.538 46 HA ARG 5 HA ARG 5 6.437 15.054 12.917 47 HE ARG 5 HE ARG 5 6.401 12.187 8.318 48 HB2 ARG 5 2HB ARG 5 7.612 15.618 10.957 49 HB3 ARG 5 1HB ARG 5 8.593 14.163 11.020 50 HG2 ARG 5 2HG ARG 5 6.656 12.820 10.388 51 HG3 ARG 5 1HG ARG 5 5.660 14.278 10.337 52 HD2 ARG 5 2HD ARG 5 6.566 14.995 8.383 53 HD3 ARG 5 1HD ARG 5 8.152 14.313 8.742 54 HH11 ARG 5 1HH1 ARG 5 7.674 14.872 6.458 55 HH12 ARG 5 2HH1 ARG 5 7.730 13.973 4.973 56 HH21 ARG 5 1HH2 ARG 5 6.497 10.999 6.362 57 HH22 ARG 5 2HH2 ARG 5 7.071 11.793 4.916 58 H VAL 6 H VAL 6 4.890 13.573 13.228 59 HA VAL 6 HA VAL 6 5.602 10.878 13.977 60 HB VAL 6 HB VAL 6 2.819 11.954 13.472 61 HG11 VAL 6 1HG1 VAL 6 2.126 10.169 15.003 62 HG12 VAL 6 2HG1 VAL 6 3.801 9.632 15.134 63 HG13 VAL 6 3HG1 VAL 6 2.957 9.524 13.589 64 HG21 VAL 6 3HG2 VAL 6 3.917 13.381 15.101 65 HG22 VAL 6 1HG2 VAL 6 4.414 11.971 16.038 66 HG23 VAL 6 2HG2 VAL 6 2.704 12.378 15.896 67 H ASP 7 H ASP 7 6.677 10.387 11.995 68 HA ASP 7 HA ASP 7 5.103 10.224 9.568 69 HB2 ASP 7 2HB ASP 7 7.388 11.080 9.473 70 HB3 ASP 7 1HB ASP 7 8.001 9.574 10.140 71 H GLY 8 H GLY 8 6.221 8.148 12.093 72 HA2 GLY 8 2HA GLY 8 5.094 6.061 12.467 73 HA3 GLY 8 1HA GLY 8 4.917 5.893 10.726 74 HA PRO 9 HA PRO 9 8.695 3.540 12.126 75 HB2 PRO 9 2HB PRO 9 7.420 1.090 11.305 76 HB3 PRO 9 1HB PRO 9 7.939 1.563 12.922 77 HG2 PRO 9 2HG PRO 9 5.317 1.260 12.173 78 HG3 PRO 9 1HG PRO 9 5.857 2.292 13.508 79 HD2 PRO 9 2HD PRO 9 5.092 3.046 10.715 80 HD3 PRO 9 1HD PRO 9 4.762 3.890 12.244 81 H ARG 10 H ARG 10 10.181 2.386 10.782 82 HA ARG 10 HA ARG 10 9.991 3.007 7.990 83 HE ARG 10 HE ARG 10 13.587 1.775 11.338 84 HB2 ARG 10 2HB ARG 10 11.996 1.230 9.393 85 HB3 ARG 10 1HB ARG 10 12.175 1.966 7.807 86 HG2 ARG 10 2HG ARG 10 12.325 4.153 8.774 87 HG3 ARG 10 1HG ARG 10 11.941 3.516 10.376 88 HD2 ARG 10 2HD ARG 10 14.393 2.902 8.731 89 HD3 ARG 10 1HD ARG 10 14.325 3.886 10.194 90 HH11 ARG 10 1HH1 ARG 10 15.582 1.695 8.455 91 HH12 ARG 10 2HH1 ARG 10 16.251 0.129 8.820 92 HH21 ARG 10 1HH2 ARG 10 14.425 -0.283 11.790 93 HH22 ARG 10 2HH2 ARG 10 15.576 -1.011 10.705 94 H GLN 11 H GLN 11 9.186 0.364 10.002 95 HA GLN 11 HA GLN 11 8.247 -1.175 7.747 96 HB2 GLN 11 2HB GLN 11 9.341 -3.252 8.541 97 HB3 GLN 11 1HB GLN 11 10.489 -2.046 7.982 98 HG2 GLN 11 2HG GLN 11 10.936 -1.415 10.316 99 HG3 GLN 11 1HG GLN 11 9.820 -2.672 10.850 100 HE21 GLN 11 1HE2 GLN 11 11.381 -3.782 11.979 101 HE22 GLN 11 2HE2 GLN 11 12.636 -4.675 11.188 102 H VAL 12 H VAL 12 6.469 -2.333 8.201 103 HA VAL 12 HA VAL 12 5.576 -2.378 11.007 104 HB VAL 12 HB VAL 12 3.240 -2.332 10.113 105 HG11 VAL 12 1HG1 VAL 12 4.260 -0.312 10.985 106 HG12 VAL 12 2HG1 VAL 12 3.251 0.078 9.592 107 HG13 VAL 12 3HG1 VAL 12 5.004 0.012 9.420 108 HG21 VAL 12 3HG2 VAL 12 2.872 -1.574 7.814 109 HG22 VAL 12 1HG2 VAL 12 3.706 -3.131 7.847 110 HG23 VAL 12 2HG2 VAL 12 4.606 -1.652 7.509 111 H THR 13 H THR 13 4.416 -4.210 11.694 112 HA THR 13 HA THR 13 5.244 -6.630 10.337 113 HB THR 13 HB THR 13 3.684 -6.346 12.912 114 HG1 THR 13 HG1 THR 13 5.791 -5.307 12.945 115 HG21 THR 13 3HG2 THR 13 3.557 -8.581 11.941 116 HG22 THR 13 1HG2 THR 13 4.571 -8.597 13.384 117 HG23 THR 13 2HG2 THR 13 5.313 -8.629 11.785 118 H LEU 14 H LEU 14 3.965 -7.983 9.214 119 HA LEU 14 HA LEU 14 1.198 -7.306 8.705 120 HG LEU 14 HG LEU 14 2.479 -8.847 5.549 121 HB2 LEU 14 2HB LEU 14 2.886 -9.677 7.881 122 HB3 LEU 14 1HB LEU 14 1.207 -9.490 7.429 123 HD11 LEU 14 1HD1 LEU 14 0.610 -7.348 6.042 124 HD12 LEU 14 2HD1 LEU 14 1.929 -6.516 5.214 125 HD13 LEU 14 3HD1 LEU 14 1.700 -6.301 6.951 126 HD21 LEU 14 3HD2 LEU 14 4.608 -8.565 6.764 127 HD22 LEU 14 1HD2 LEU 14 4.057 -6.977 7.288 128 HD23 LEU 14 2HD2 LEU 14 4.300 -7.306 5.572 129 HA PRO 15 HA PRO 15 -0.767 -9.764 11.833 130 HB2 PRO 15 2HB PRO 15 -2.606 -11.217 10.367 131 HB3 PRO 15 1HB PRO 15 -2.840 -9.549 10.902 132 HG2 PRO 15 2HG PRO 15 -1.965 -10.588 8.242 133 HG3 PRO 15 1HG PRO 15 -3.053 -9.238 8.620 134 HD2 PRO 15 2HD PRO 15 -0.505 -8.836 7.867 135 HD3 PRO 15 1HD PRO 15 -1.300 -7.786 9.055 136 H ASP 16 H ASP 16 0.605 -11.266 9.062 137 HA ASP 16 HA ASP 16 0.526 -13.963 10.027 138 HB2 ASP 16 2HB ASP 16 0.568 -13.651 7.668 139 HB3 ASP 16 1HB ASP 16 1.954 -12.573 7.762 140 H GLY 17 H GLY 17 2.546 -11.241 10.540 141 HA2 GLY 17 2HA GLY 17 4.237 -11.268 12.249 142 HA3 GLY 17 1HA GLY 17 4.548 -12.954 11.853 143 H THR 18 H THR 18 4.110 -11.555 8.978 144 HA THR 18 HA THR 18 6.885 -11.517 8.319 145 HB THR 18 HB THR 18 5.356 -10.310 6.256 146 HG1 THR 18 HG1 THR 18 4.088 -12.718 7.022 147 HG21 THR 18 3HG2 THR 18 5.809 -12.421 5.090 148 HG22 THR 18 1HG2 THR 18 6.284 -13.162 6.617 149 HG23 THR 18 2HG2 THR 18 7.240 -11.842 5.944 150 H VAL 19 H VAL 19 7.824 -9.614 7.079 151 HA VAL 19 HA VAL 19 7.191 -7.146 8.554 152 HB VAL 19 HB VAL 19 9.765 -7.919 7.169 153 HG11 VAL 19 1HG1 VAL 19 10.707 -5.948 8.270 154 HG12 VAL 19 2HG1 VAL 19 9.113 -5.545 8.910 155 HG13 VAL 19 3HG1 VAL 19 9.401 -5.513 7.170 156 HG21 VAL 19 3HG2 VAL 19 10.689 -8.118 9.428 157 HG22 VAL 19 1HG2 VAL 19 9.379 -9.266 9.157 158 HG23 VAL 19 2HG2 VAL 19 9.091 -7.808 10.106 159 H LEU 20 H LEU 20 6.483 -5.426 7.513 160 HA LEU 20 HA LEU 20 6.809 -5.274 4.584 161 HG LEU 20 HG LEU 20 4.939 -2.709 4.407 162 HB2 LEU 20 2HB LEU 20 4.468 -5.582 5.196 163 HB3 LEU 20 1HB LEU 20 4.558 -4.246 6.320 164 HD11 LEU 20 1HD1 LEU 20 4.339 -5.146 2.735 165 HD12 LEU 20 2HD1 LEU 20 5.898 -4.328 2.844 166 HD13 LEU 20 3HD1 LEU 20 4.511 -3.493 2.146 167 HD21 LEU 20 3HD2 LEU 20 2.446 -4.398 4.253 168 HD22 LEU 20 1HD2 LEU 20 2.634 -2.772 3.597 169 HD23 LEU 20 2HD2 LEU 20 2.713 -3.037 5.340 170 H SER 21 H SER 21 8.597 -4.002 4.449 171 HA SER 21 HA SER 21 8.706 -1.588 6.096 172 HG SER 21 HG SER 21 10.404 -3.631 3.714 173 HB2 SER 21 2HB SER 21 11.023 -1.391 5.366 174 HB3 SER 21 1HB SER 21 10.729 -3.021 5.968 175 H ARG 22 H ARG 22 9.681 0.358 4.863 176 HA ARG 22 HA ARG 22 7.827 1.031 2.805 177 HE ARG 22 HE ARG 22 6.754 4.300 6.182 178 HB2 ARG 22 2HB ARG 22 10.186 2.471 4.001 179 HB3 ARG 22 1HB ARG 22 9.198 3.165 2.720 180 HG2 ARG 22 2HG ARG 22 7.255 3.127 4.095 181 HG3 ARG 22 1HG ARG 22 8.088 2.193 5.337 182 HD2 ARG 22 2HD ARG 22 9.436 4.020 5.948 183 HD3 ARG 22 1HD ARG 22 8.995 4.929 4.499 184 HH11 ARG 22 1HH1 ARG 22 9.374 6.546 5.669 185 HH12 ARG 22 2HH1 ARG 22 8.563 7.870 6.453 186 HH21 ARG 22 1HH2 ARG 22 5.652 6.037 7.149 187 HH22 ARG 22 2HH2 ARG 22 6.422 7.598 7.243 188 H ALA 23 H ALA 23 10.815 -0.537 2.814 189 HA ALA 23 HA ALA 23 11.457 0.091 0.058 190 HB1 ALA 23 3HB ALA 23 13.274 -1.524 0.328 191 HB2 ALA 23 1HB ALA 23 12.651 -1.961 1.917 192 HB3 ALA 23 2HB ALA 23 13.274 -0.336 1.632 193 H ASP 24 H ASP 24 9.305 -1.900 1.664 194 HA ASP 24 HA ASP 24 9.278 -4.009 -0.324 195 HB2 ASP 24 2HB ASP 24 7.593 -3.465 2.117 196 HB3 ASP 24 1HB ASP 24 7.172 -4.724 0.962 197 H LEU 25 H LEU 25 7.892 -0.938 0.143 198 HA LEU 25 HA LEU 25 5.476 -1.121 -1.238 199 HG LEU 25 HG LEU 25 6.124 0.483 1.078 200 HB2 LEU 25 2HB LEU 25 7.468 1.118 -0.963 201 HB3 LEU 25 1HB LEU 25 5.951 1.316 -1.819 202 HD11 LEU 25 1HD1 LEU 25 5.493 2.798 1.586 203 HD12 LEU 25 2HD1 LEU 25 5.671 3.216 -0.118 204 HD13 LEU 25 3HD1 LEU 25 7.076 2.706 0.817 205 HD21 LEU 25 3HD2 LEU 25 4.063 -0.138 -0.109 206 HD22 LEU 25 1HD2 LEU 25 3.842 1.547 -0.582 207 HD23 LEU 25 2HD2 LEU 25 3.774 1.091 1.120 208 HA PRO 26 HA PRO 26 6.700 -2.060 -5.400 209 HB2 PRO 26 2HB PRO 26 4.481 -1.032 -6.651 210 HB3 PRO 26 1HB PRO 26 4.523 -2.611 -5.858 211 HG2 PRO 26 2HG PRO 26 3.498 0.005 -4.824 212 HG3 PRO 26 1HG PRO 26 2.786 -1.615 -4.684 213 HD2 PRO 26 2HD PRO 26 4.117 -0.489 -2.646 214 HD3 PRO 26 1HD PRO 26 4.218 -2.234 -2.969 215 HA PRO 27 HA PRO 27 8.503 1.651 -6.991 216 HB2 PRO 27 2HB PRO 27 8.729 1.035 -9.618 217 HB3 PRO 27 1HB PRO 27 9.735 0.281 -8.377 218 HG2 PRO 27 2HG PRO 27 7.234 -0.761 -9.673 219 HG3 PRO 27 1HG PRO 27 8.774 -1.602 -9.383 220 HD2 PRO 27 2HD PRO 27 6.655 -1.932 -7.759 221 HD3 PRO 27 1HD PRO 27 8.318 -1.919 -7.132 222 H LEU 28 H LEU 28 8.092 3.512 -8.250 223 HA LEU 28 HA LEU 28 5.313 4.114 -8.643 224 HG LEU 28 HG LEU 28 7.948 5.330 -7.107 225 HB2 LEU 28 2HB LEU 28 7.704 5.743 -9.502 226 HB3 LEU 28 1HB LEU 28 6.070 6.322 -9.251 227 HD11 LEU 28 1HD1 LEU 28 7.932 7.649 -6.355 228 HD12 LEU 28 2HD1 LEU 28 6.909 8.092 -7.722 229 HD13 LEU 28 3HD1 LEU 28 8.553 7.517 -8.000 230 HD21 LEU 28 3HD2 LEU 28 6.226 6.068 -5.535 231 HD22 LEU 28 1HD2 LEU 28 5.637 4.772 -6.576 232 HD23 LEU 28 2HD2 LEU 28 5.151 6.438 -6.885 233 H ASP 29 H ASP 29 7.765 2.764 -10.523 234 HA ASP 29 HA ASP 29 6.870 3.560 -13.117 235 HB2 ASP 29 2HB ASP 29 8.552 1.164 -12.327 236 HB3 ASP 29 1HB ASP 29 8.388 1.829 -13.949 237 H THR 30 H THR 30 5.475 1.679 -10.824 238 HA THR 30 HA THR 30 4.526 -0.491 -12.436 239 HB THR 30 HB THR 30 3.592 0.477 -9.728 240 HG1 THR 30 HG1 THR 30 5.520 -0.278 -9.266 241 HG21 THR 30 3HG2 THR 30 3.099 -2.138 -11.157 242 HG22 THR 30 1HG2 THR 30 1.900 -0.884 -10.842 243 HG23 THR 30 2HG2 THR 30 2.624 -1.771 -9.498 244 H ARG 31 H ARG 31 3.203 -0.070 -14.050 245 HA ARG 31 HA ARG 31 0.822 1.561 -13.486 246 HE ARG 31 HE ARG 31 -2.365 2.346 -16.421 247 HB2 ARG 31 2HB ARG 31 2.055 2.196 -15.528 248 HB3 ARG 31 1HB ARG 31 1.883 0.555 -16.141 249 HG2 ARG 31 2HG ARG 31 0.266 2.012 -17.184 250 HG3 ARG 31 1HG ARG 31 -0.553 0.833 -16.156 251 HD2 ARG 31 2HD ARG 31 -0.557 2.603 -14.350 252 HD3 ARG 31 1HD ARG 31 -0.035 3.746 -15.589 253 HH11 ARG 31 1HH1 ARG 31 -1.276 4.912 -14.295 254 HH12 ARG 31 2HH1 ARG 31 -2.809 5.726 -14.265 255 HH21 ARG 31 1HH2 ARG 31 -4.388 3.421 -16.412 256 HH22 ARG 31 2HH2 ARG 31 -4.586 4.880 -15.476 257 H ARG 32 H ARG 32 1.998 -1.556 -14.594 258 HA ARG 32 HA ARG 32 -0.608 -2.736 -14.720 259 HE ARG 32 HE ARG 32 -0.220 -7.745 -15.146 260 HB2 ARG 32 2HB ARG 32 1.237 -3.648 -16.055 261 HB3 ARG 32 1HB ARG 32 2.120 -4.037 -14.584 262 HG2 ARG 32 2HG ARG 32 0.307 -5.578 -13.939 263 HG3 ARG 32 1HG ARG 32 -0.496 -5.231 -15.472 264 HD2 ARG 32 2HD ARG 32 1.338 -6.161 -16.707 265 HD3 ARG 32 1HD ARG 32 2.290 -6.351 -15.232 266 HH11 ARG 32 1HH1 ARG 32 3.093 -7.944 -16.290 267 HH12 ARG 32 2HH1 ARG 32 3.152 -9.683 -16.171 268 HH21 ARG 32 1HH2 ARG 32 -0.146 -10.007 -15.016 269 HH22 ARG 32 2HH2 ARG 32 1.295 -10.858 -15.489 270 H TRP 33 H TRP 33 -1.471 -2.134 -12.721 271 HA TRP 33 HA TRP 33 -0.268 -2.959 -10.272 272 HD1 TRP 33 HD1 TRP 33 -2.189 0.594 -11.567 273 HE1 TRP 33 HE1 TRP 33 -0.733 2.369 -10.393 274 HE3 TRP 33 HE3 TRP 33 -0.428 -2.247 -7.701 275 HZ2 TRP 33 HZ2 TRP 33 0.935 2.525 -8.117 276 HZ3 TRP 33 HZ3 TRP 33 1.095 -1.212 -6.074 277 HH2 TRP 33 HH2 TRP 33 1.763 1.125 -6.280 278 HB2 TRP 33 2HB TRP 33 -2.945 -1.820 -11.003 279 HB3 TRP 33 1HB TRP 33 -2.610 -2.377 -9.364 280 H VAL 34 H VAL 34 -0.008 -5.018 -9.855 281 HA VAL 34 HA VAL 34 -2.239 -6.866 -10.249 282 HB VAL 34 HB VAL 34 -0.625 -8.650 -9.686 283 HG11 VAL 34 1HG1 VAL 34 -0.941 -8.014 -12.016 284 HG12 VAL 34 2HG1 VAL 34 0.729 -8.497 -11.719 285 HG13 VAL 34 3HG1 VAL 34 0.316 -6.789 -11.865 286 HG21 VAL 34 3HG2 VAL 34 1.385 -6.399 -9.563 287 HG22 VAL 34 1HG2 VAL 34 1.771 -8.120 -9.541 288 HG23 VAL 34 2HG2 VAL 34 0.857 -7.405 -8.214 289 H ALA 35 H ALA 35 -2.657 -8.408 -8.429 290 HA ALA 35 HA ALA 35 -3.542 -6.978 -6.207 291 HB1 ALA 35 3HB ALA 35 -4.523 -9.095 -6.965 292 HB2 ALA 35 1HB ALA 35 -4.139 -9.121 -5.244 293 HB3 ALA 35 2HB ALA 35 -3.090 -9.951 -6.393 294 H SER 36 H SER 36 -0.596 -8.869 -6.648 295 HA SER 36 HA SER 36 0.309 -9.028 -4.031 296 HG SER 36 HG SER 36 1.025 -11.004 -5.570 297 HB2 SER 36 2HB SER 36 2.083 -8.505 -6.424 298 HB3 SER 36 1HB SER 36 2.490 -9.391 -4.956 299 H ARG 37 H ARG 37 0.759 -6.425 -6.386 300 HA ARG 37 HA ARG 37 2.375 -4.855 -4.609 301 HE ARG 37 HE ARG 37 5.294 -5.391 -8.512 302 HB2 ARG 37 2HB ARG 37 1.103 -4.166 -7.264 303 HB3 ARG 37 1HB ARG 37 2.263 -3.158 -6.408 304 HG2 ARG 37 2HG ARG 37 3.937 -4.927 -6.587 305 HG3 ARG 37 1HG ARG 37 2.778 -5.935 -7.449 306 HD2 ARG 37 2HD ARG 37 2.688 -4.342 -9.264 307 HD3 ARG 37 1HD ARG 37 3.746 -3.240 -8.385 308 HH11 ARG 37 1HH1 ARG 37 3.286 -3.967 -11.003 309 HH12 ARG 37 2HH1 ARG 37 4.347 -4.419 -12.302 310 HH21 ARG 37 1HH2 ARG 37 6.701 -5.980 -10.223 311 HH22 ARG 37 2HH2 ARG 37 6.291 -5.554 -11.859 312 H LYS 38 H LYS 38 -0.986 -4.946 -5.595 313 HA LYS 38 HA LYS 38 -1.789 -2.489 -4.465 314 HB2 LYS 38 2HB LYS 38 -3.343 -5.027 -4.974 315 HB3 LYS 38 1HB LYS 38 -4.079 -3.522 -4.444 316 HG2 LYS 38 2HG LYS 38 -3.215 -2.425 -6.483 317 HG3 LYS 38 1HG LYS 38 -2.610 -3.990 -7.028 318 HD2 LYS 38 2HD LYS 38 -4.851 -4.887 -7.072 319 HD3 LYS 38 1HD LYS 38 -5.497 -3.397 -6.386 320 HE2 LYS 38 2HE LYS 38 -4.757 -2.169 -8.374 321 HE3 LYS 38 1HE LYS 38 -4.127 -3.667 -9.060 322 HZ1 LYS 38 3HZ LYS 38 -6.383 -2.936 -9.848 323 HZ2 LYS 38 1HZ LYS 38 -6.975 -3.334 -8.307 324 HZ3 LYS 38 2HZ LYS 38 -6.283 -4.533 -9.289 325 H ALA 39 H ALA 39 -1.777 -5.784 -3.182 326 HA ALA 39 HA ALA 39 -2.921 -5.251 -0.697 327 HB1 ALA 39 3HB ALA 39 -1.963 -7.358 0.031 328 HB2 ALA 39 1HB ALA 39 -0.869 -7.358 -1.353 329 HB3 ALA 39 2HB ALA 39 -2.608 -7.512 -1.604 330 H ALA 40 H ALA 40 0.487 -5.226 -1.684 331 HA ALA 40 HA ALA 40 1.608 -4.752 0.837 332 HB1 ALA 40 3HB ALA 40 2.916 -5.427 -1.121 333 HB2 ALA 40 1HB ALA 40 3.583 -3.982 -0.364 334 HB3 ALA 40 2HB ALA 40 2.643 -3.845 -1.850 335 H VAL 41 H VAL 41 0.351 -2.500 -1.587 336 HA VAL 41 HA VAL 41 1.205 -0.122 -0.307 337 HB VAL 41 HB VAL 41 -1.092 -0.567 -2.221 338 HG11 VAL 41 1HG1 VAL 41 -1.049 1.839 -2.600 339 HG12 VAL 41 2HG1 VAL 41 0.202 2.022 -1.371 340 HG13 VAL 41 3HG1 VAL 41 -1.412 1.479 -0.912 341 HG21 VAL 41 3HG2 VAL 41 0.455 0.389 -3.880 342 HG22 VAL 41 1HG2 VAL 41 1.053 -1.120 -3.190 343 HG23 VAL 41 2HG2 VAL 41 1.721 0.419 -2.652 344 H VAL 42 H VAL 42 -1.931 -1.809 -0.307 345 HA VAL 42 HA VAL 42 -3.173 0.113 1.368 346 HB VAL 42 HB VAL 42 -4.451 -1.330 -0.165 347 HG11 VAL 42 1HG1 VAL 42 -4.975 -3.630 0.428 348 HG12 VAL 42 2HG1 VAL 42 -3.869 -3.537 1.800 349 HG13 VAL 42 3HG1 VAL 42 -3.245 -3.422 0.154 350 HG21 VAL 42 3HG2 VAL 42 -6.319 -1.773 1.353 351 HG22 VAL 42 1HG2 VAL 42 -5.577 -0.205 1.666 352 HG23 VAL 42 2HG2 VAL 42 -5.239 -1.568 2.732 353 H LYS 43 H LYS 43 -1.600 -3.001 2.024 354 HA LYS 43 HA LYS 43 -2.325 -3.138 4.760 355 HB2 LYS 43 2HB LYS 43 0.008 -4.337 3.263 356 HB3 LYS 43 1HB LYS 43 -0.335 -4.680 4.953 357 HG2 LYS 43 2HG LYS 43 -2.472 -5.654 4.352 358 HG3 LYS 43 1HG LYS 43 -2.207 -5.237 2.657 359 HD2 LYS 43 2HD LYS 43 -0.234 -6.697 2.612 360 HD3 LYS 43 1HD LYS 43 -0.514 -7.121 4.301 361 HE2 LYS 43 2HE LYS 43 -2.686 -8.087 3.693 362 HE3 LYS 43 1HE LYS 43 -2.402 -7.659 2.006 363 HZ1 LYS 43 3HZ LYS 43 -0.685 -9.503 3.590 364 HZ2 LYS 43 1HZ LYS 43 -0.533 -9.157 1.938 365 HZ3 LYS 43 2HZ LYS 43 -1.890 -10.003 2.512 366 H ALA 44 H ALA 44 0.181 -1.453 3.032 367 HA ALA 44 HA ALA 44 1.805 -0.759 5.236 368 HB1 ALA 44 3HB ALA 44 1.399 0.755 2.654 369 HB2 ALA 44 1HB ALA 44 2.547 -0.560 2.898 370 HB3 ALA 44 2HB ALA 44 2.741 0.953 3.780 371 H VAL 45 H VAL 45 -0.867 0.936 3.617 372 HA VAL 45 HA VAL 45 -0.865 3.203 5.308 373 HB VAL 45 HB VAL 45 -3.192 2.035 3.766 374 HG11 VAL 45 1HG1 VAL 45 -3.920 3.641 5.431 375 HG12 VAL 45 2HG1 VAL 45 -4.080 4.328 3.814 376 HG13 VAL 45 3HG1 VAL 45 -2.737 4.813 4.851 377 HG21 VAL 45 3HG2 VAL 45 -1.287 2.463 2.309 378 HG22 VAL 45 1HG2 VAL 45 -1.163 4.106 2.934 379 HG23 VAL 45 2HG2 VAL 45 -2.579 3.624 2.002 380 H ILE 46 H ILE 46 -2.648 0.154 5.390 381 HA ILE 46 HA ILE 46 -4.312 0.738 7.561 382 HB ILE 46 HB ILE 46 -3.272 -1.896 6.528 383 HG12 ILE 46 2HG1 ILE 46 -5.963 -0.530 6.305 384 HG13 ILE 46 1HG1 ILE 46 -4.745 -0.592 5.039 385 HG21 ILE 46 1HG2 ILE 46 -5.375 -1.421 8.638 386 HG22 ILE 46 2HG2 ILE 46 -3.818 -2.218 8.864 387 HG23 ILE 46 3HG2 ILE 46 -5.053 -2.969 7.854 388 HD11 ILE 46 3HD1 ILE 46 -6.506 -2.198 4.628 389 HD12 ILE 46 1HD1 ILE 46 -6.213 -2.948 6.198 390 HD13 ILE 46 2HD1 ILE 46 -4.978 -3.024 4.942 391 H HIS 47 H HIS 47 -1.109 -0.835 7.512 392 HA HIS 47 HA HIS 47 -1.119 -1.185 10.368 393 HD1 HIS 47 HD1 HIS 47 -1.177 -3.390 10.836 394 HD2 HIS 47 HD2 HIS 47 0.881 -4.096 7.291 395 HE1 HIS 47 HE1 HIS 47 -1.692 -5.772 10.214 396 HE2 HIS 47 HE2 HIS 47 -0.277 -6.224 8.181 397 HB2 HIS 47 2HB HIS 47 1.018 -1.604 8.289 398 HB3 HIS 47 1HB HIS 47 1.300 -1.850 10.005 399 H GLY 48 H GLY 48 -0.630 1.509 8.498 400 HA2 GLY 48 2HA GLY 48 -0.120 3.636 9.298 401 HA3 GLY 48 1HA GLY 48 0.466 2.906 10.785 402 H LEU 49 H LEU 49 1.628 1.697 7.784 403 HA LEU 49 HA LEU 49 4.332 2.474 8.374 404 HG LEU 49 HG LEU 49 5.415 2.162 5.506 405 HB2 LEU 49 2HB LEU 49 3.780 0.339 7.270 406 HB3 LEU 49 1HB LEU 49 3.129 1.218 5.902 407 HD11 LEU 49 1HD1 LEU 49 6.284 1.872 7.764 408 HD12 LEU 49 2HD1 LEU 49 7.310 1.074 6.574 409 HD13 LEU 49 3HD1 LEU 49 6.211 0.121 7.573 410 HD21 LEU 49 3HD2 LEU 49 5.162 -0.845 5.460 411 HD22 LEU 49 1HD2 LEU 49 6.300 0.113 4.509 412 HD23 LEU 49 2HD2 LEU 49 4.566 0.266 4.225 413 H ILE 50 H ILE 50 1.929 3.260 5.923 414 HA ILE 50 HA ILE 50 3.180 5.898 5.604 415 HB ILE 50 HB ILE 50 2.667 5.927 3.218 416 HG12 ILE 50 2HG1 ILE 50 1.960 2.999 3.408 417 HG13 ILE 50 1HG1 ILE 50 0.746 4.275 3.454 418 HG21 ILE 50 1HG2 ILE 50 4.881 5.164 3.871 419 HG22 ILE 50 2HG2 ILE 50 4.340 4.328 2.413 420 HG23 ILE 50 3HG2 ILE 50 4.297 3.503 3.972 421 HD11 ILE 50 3HD1 ILE 50 1.408 5.021 1.249 422 HD12 ILE 50 1HD1 ILE 50 0.988 3.309 1.226 423 HD13 ILE 50 2HD1 ILE 50 2.682 3.799 1.200 424 H THR 51 H THR 51 1.529 7.402 4.464 425 HA THR 51 HA THR 51 -1.069 6.920 5.719 426 HB THR 51 HB THR 51 -0.121 9.027 6.333 427 HG1 THR 51 HG1 THR 51 -2.018 9.905 6.135 428 HG21 THR 51 3HG2 THR 51 0.066 9.659 3.396 429 HG22 THR 51 1HG2 THR 51 1.421 9.346 4.478 430 HG23 THR 51 2HG2 THR 51 0.414 10.775 4.712 431 H GLU 52 H GLU 52 -3.023 7.483 4.529 432 HA GLU 52 HA GLU 52 -3.228 5.974 2.183 433 HB2 GLU 52 2HB GLU 52 -5.070 6.521 3.813 434 HB3 GLU 52 1HB GLU 52 -5.144 8.125 3.100 435 HG2 GLU 52 2HG GLU 52 -5.698 7.106 0.927 436 HG3 GLU 52 1HG GLU 52 -5.691 5.518 1.695 437 H ARG 53 H ARG 53 -3.172 9.481 2.670 438 HA ARG 53 HA ARG 53 -3.460 10.202 -0.036 439 HE ARG 53 HE ARG 53 -2.978 12.740 -0.963 440 HB2 ARG 53 2HB ARG 53 -2.441 11.610 2.400 441 HB3 ARG 53 1HB ARG 53 -2.255 12.360 0.821 442 HG2 ARG 53 2HG ARG 53 -4.940 11.326 1.406 443 HG3 ARG 53 1HG ARG 53 -4.411 12.672 2.415 444 HD2 ARG 53 2HD ARG 53 -5.657 13.168 0.203 445 HD3 ARG 53 1HD ARG 53 -4.234 14.120 0.619 446 HH11 ARG 53 1HH1 ARG 53 -6.477 12.601 -1.193 447 HH12 ARG 53 2HH1 ARG 53 -6.465 12.254 -2.901 448 HH21 ARG 53 1HH2 ARG 53 -2.962 12.270 -3.164 449 HH22 ARG 53 2HH2 ARG 53 -4.462 12.023 -4.021 450 H GLU 54 H GLU 54 -0.662 9.310 1.859 451 HA GLU 54 HA GLU 54 1.361 10.107 0.085 452 HB2 GLU 54 2HB GLU 54 1.884 9.332 2.336 453 HB3 GLU 54 1HB GLU 54 1.242 7.739 1.972 454 HG2 GLU 54 2HG GLU 54 3.647 7.690 1.963 455 HG3 GLU 54 1HG GLU 54 3.033 7.402 0.337 456 H ALA 55 H ALA 55 -0.461 7.086 0.361 457 HA ALA 55 HA ALA 55 0.775 5.797 -1.840 458 HB1 ALA 55 3HB ALA 55 -1.929 5.313 -0.593 459 HB2 ALA 55 1HB ALA 55 -0.408 4.551 -0.120 460 HB3 ALA 55 2HB ALA 55 -1.104 4.223 -1.708 461 H LEU 56 H LEU 56 -2.263 7.603 -1.530 462 HA LEU 56 HA LEU 56 -3.205 7.260 -4.140 463 HG LEU 56 HG LEU 56 -4.347 7.536 -1.268 464 HB2 LEU 56 2HB LEU 56 -3.577 9.651 -2.337 465 HB3 LEU 56 1HB LEU 56 -4.558 9.261 -3.736 466 HD11 LEU 56 1HD1 LEU 56 -5.414 9.679 -0.776 467 HD12 LEU 56 2HD1 LEU 56 -6.568 8.346 -0.707 468 HD13 LEU 56 3HD1 LEU 56 -6.542 9.422 -2.105 469 HD21 LEU 56 3HD2 LEU 56 -6.264 6.365 -2.197 470 HD22 LEU 56 1HD2 LEU 56 -4.901 6.307 -3.313 471 HD23 LEU 56 2HD2 LEU 56 -6.239 7.416 -3.613 472 H ASP 57 H ASP 57 -1.104 9.783 -2.800 473 HA ASP 57 HA ASP 57 -0.947 11.284 -5.197 474 HB2 ASP 57 2HB ASP 57 0.597 11.257 -2.638 475 HB3 ASP 57 1HB ASP 57 1.236 12.150 -4.014 476 H ARG 58 H ARG 58 1.375 8.978 -3.729 477 HA ARG 58 HA ARG 58 3.240 9.411 -5.850 478 HE ARG 58 HE ARG 58 4.471 7.738 -1.498 479 HB2 ARG 58 2HB ARG 58 4.649 7.785 -4.795 480 HB3 ARG 58 1HB ARG 58 3.935 8.791 -3.546 481 HG2 ARG 58 2HG ARG 58 2.471 7.077 -2.863 482 HG3 ARG 58 1HG ARG 58 2.827 6.109 -4.295 483 HD2 ARG 58 2HD ARG 58 3.967 5.234 -2.318 484 HD3 ARG 58 1HD ARG 58 5.114 5.788 -3.532 485 HH11 ARG 58 1HH1 ARG 58 6.609 5.118 -2.457 486 HH12 ARG 58 2HH1 ARG 58 7.888 5.613 -1.384 487 HH21 ARG 58 1HH2 ARG 58 6.175 8.393 -0.123 488 HH22 ARG 58 2HH2 ARG 58 7.660 7.489 -0.097 489 H TYR 59 H TYR 59 0.556 7.257 -5.490 490 HA TYR 59 HA TYR 59 1.609 5.624 -7.706 491 HD1 TYR 59 HD2 TYR 59 2.701 3.677 -7.105 492 HD2 TYR 59 HD1 TYR 59 0.294 4.261 -3.646 493 HE1 TYR 59 HE2 TYR 59 4.458 2.659 -5.717 494 HE2 TYR 59 HE1 TYR 59 2.047 3.252 -2.249 495 HH TYR 59 HH TYR 59 3.937 1.726 -2.483 496 HB2 TYR 59 2HB TYR 59 -0.523 4.945 -5.678 497 HB3 TYR 59 1HB TYR 59 -0.055 3.915 -7.026 498 H SER 60 H SER 60 -0.297 8.205 -7.312 499 HA SER 60 HA SER 60 -1.853 9.244 -8.608 500 HG SER 60 HG SER 60 -2.891 9.192 -10.696 501 HB2 SER 60 2HB SER 60 -0.282 8.421 -10.424 502 HB3 SER 60 1HB SER 60 -1.366 7.047 -10.637 503 H LEU 61 H LEU 61 -2.755 7.441 -6.676 504 HA LEU 61 HA LEU 61 -4.932 5.937 -7.932 505 HG LEU 61 HG LEU 61 -2.286 4.972 -6.417 506 HB2 LEU 61 2HB LEU 61 -4.063 5.984 -5.042 507 HB3 LEU 61 1HB LEU 61 -5.229 4.890 -5.759 508 HD11 LEU 61 1HD1 LEU 61 -2.693 4.148 -4.171 509 HD12 LEU 61 2HD1 LEU 61 -2.201 2.830 -5.235 510 HD13 LEU 61 3HD1 LEU 61 -3.897 3.017 -4.788 511 HD21 LEU 61 3HD2 LEU 61 -4.448 3.057 -7.288 512 HD22 LEU 61 1HD2 LEU 61 -2.729 2.915 -7.651 513 HD23 LEU 61 2HD2 LEU 61 -3.660 4.261 -8.309 514 H SER 62 H SER 62 -7.061 6.329 -7.480 515 HA SER 62 HA SER 62 -7.664 8.887 -6.193 516 HG SER 62 HG SER 62 -7.906 9.457 -8.507 517 HB2 SER 62 2HB SER 62 -9.425 7.122 -7.922 518 HB3 SER 62 1HB SER 62 -9.820 8.742 -7.343 519 H GLU 63 H GLU 63 -9.702 8.940 -4.922 520 HA GLU 63 HA GLU 63 -9.513 7.370 -2.668 521 HB2 GLU 63 2HB GLU 63 -10.704 9.585 -3.016 522 HB3 GLU 63 1HB GLU 63 -12.051 8.658 -3.661 523 HG2 GLU 63 2HG GLU 63 -12.191 7.450 -1.531 524 HG3 GLU 63 1HG GLU 63 -10.903 8.478 -0.904 525 H GLU 64 H GLU 64 -11.802 7.056 -5.376 526 HA GLU 64 HA GLU 64 -13.178 4.826 -4.311 527 HB2 GLU 64 2HB GLU 64 -14.136 4.585 -6.566 528 HB3 GLU 64 1HB GLU 64 -14.191 6.248 -6.001 529 HG2 GLU 64 2HG GLU 64 -12.258 6.791 -7.377 530 HG3 GLU 64 1HG GLU 64 -12.173 5.118 -7.927 531 H GLU 65 H GLU 65 -10.237 5.111 -6.119 532 HA GLU 65 HA GLU 65 -10.026 2.406 -6.977 533 HB2 GLU 65 2HB GLU 65 -8.706 4.227 -7.981 534 HB3 GLU 65 1HB GLU 65 -7.879 4.479 -6.453 535 HG2 GLU 65 2HG GLU 65 -6.362 3.276 -7.726 536 HG3 GLU 65 1HG GLU 65 -7.094 2.062 -6.684 537 H PHE 66 H PHE 66 -8.503 4.206 -4.306 538 HA PHE 66 HA PHE 66 -7.276 1.976 -3.099 539 HD1 PHE 66 HD2 PHE 66 -4.863 2.882 -1.990 540 HD2 PHE 66 HD1 PHE 66 -8.189 3.737 0.525 541 HE1 PHE 66 HE2 PHE 66 -3.583 2.102 -0.039 542 HE2 PHE 66 HE1 PHE 66 -6.914 2.961 2.480 543 HZ PHE 66 HZ PHE 66 -4.610 2.141 2.199 544 HB2 PHE 66 2HB PHE 66 -6.709 4.395 -2.690 545 HB3 PHE 66 1HB PHE 66 -8.162 4.508 -1.704 546 H ALA 67 H ALA 67 -10.479 3.359 -2.794 547 HA ALA 67 HA ALA 67 -11.386 1.994 -0.530 548 HB1 ALA 67 3HB ALA 67 -12.633 3.805 -1.643 549 HB2 ALA 67 1HB ALA 67 -13.627 2.371 -1.382 550 HB3 ALA 67 2HB ALA 67 -12.983 2.717 -2.987 551 H LEU 68 H LEU 68 -11.292 1.015 -3.936 552 HA LEU 68 HA LEU 68 -12.534 -1.501 -3.596 553 HG LEU 68 HG LEU 68 -12.799 0.591 -5.761 554 HB2 LEU 68 2HB LEU 68 -10.574 -0.506 -5.666 555 HB3 LEU 68 1HB LEU 68 -11.365 -2.067 -5.754 556 HD11 LEU 68 1HD1 LEU 68 -12.212 -1.323 -8.016 557 HD12 LEU 68 2HD1 LEU 68 -11.490 0.269 -7.793 558 HD13 LEU 68 3HD1 LEU 68 -13.216 0.122 -8.124 559 HD21 LEU 68 3HD2 LEU 68 -14.754 -0.730 -6.370 560 HD22 LEU 68 1HD2 LEU 68 -14.113 -1.244 -4.810 561 HD23 LEU 68 2HD2 LEU 68 -13.803 -2.210 -6.252 562 H TRP 69 H TRP 69 -9.139 -0.492 -3.653 563 HA TRP 69 HA TRP 69 -7.932 -2.982 -3.450 564 HD1 TRP 69 HD1 TRP 69 -8.251 -0.973 -5.362 565 HE1 TRP 69 HE1 TRP 69 -6.796 -0.243 -7.348 566 HE3 TRP 69 HE3 TRP 69 -3.741 -0.662 -2.976 567 HZ2 TRP 69 HZ2 TRP 69 -4.084 0.365 -7.840 568 HZ3 TRP 69 HZ3 TRP 69 -1.764 0.005 -4.283 569 HH2 TRP 69 HH2 TRP 69 -1.936 0.504 -6.662 570 HB2 TRP 69 2HB TRP 69 -7.025 -0.332 -2.314 571 HB3 TRP 69 1HB TRP 69 -6.011 -1.768 -2.385 572 H ARG 70 H ARG 70 -8.812 -0.802 -0.748 573 HA ARG 70 HA ARG 70 -7.889 -2.630 1.216 574 HE ARG 70 HE ARG 70 -10.015 0.259 4.211 575 HB2 ARG 70 2HB ARG 70 -8.849 -1.152 2.858 576 HB3 ARG 70 1HB ARG 70 -8.052 -0.203 1.616 577 HG2 ARG 70 2HG ARG 70 -10.302 0.163 0.581 578 HG3 ARG 70 1HG ARG 70 -11.006 -0.596 2.009 579 HD2 ARG 70 2HD ARG 70 -9.310 1.896 1.931 580 HD3 ARG 70 1HD ARG 70 -11.035 1.806 2.279 581 HH11 ARG 70 1HH1 ARG 70 -9.120 3.449 3.086 582 HH12 ARG 70 2HH1 ARG 70 -8.498 3.964 4.620 583 HH21 ARG 70 1HH2 ARG 70 -9.177 0.930 6.256 584 HH22 ARG 70 2HH2 ARG 70 -8.502 2.531 6.414 585 H SER 71 H SER 71 -10.916 -2.312 -0.453 586 HA SER 71 HA SER 71 -12.431 -3.872 1.406 587 HG SER 71 HG SER 71 -13.119 -1.361 -0.441 588 HB2 SER 71 2HB SER 71 -12.955 -3.252 -1.511 589 HB3 SER 71 1HB SER 71 -14.112 -4.000 -0.412 590 H ALA 72 H ALA 72 -10.539 -4.544 -1.484 591 HA ALA 72 HA ALA 72 -11.411 -7.271 -1.689 592 HB1 ALA 72 3HB ALA 72 -10.715 -6.015 -3.664 593 HB2 ALA 72 1HB ALA 72 -9.728 -7.461 -3.449 594 HB3 ALA 72 2HB ALA 72 -9.084 -5.878 -3.009 595 H VAL 73 H VAL 73 -9.018 -5.641 0.141 596 HA VAL 73 HA VAL 73 -7.516 -8.119 0.572 597 HB VAL 73 HB VAL 73 -6.840 -5.291 1.395 598 HG11 VAL 73 1HG1 VAL 73 -5.915 -6.882 2.982 599 HG12 VAL 73 2HG1 VAL 73 -4.632 -6.197 1.984 600 HG13 VAL 73 3HG1 VAL 73 -5.223 -7.827 1.661 601 HG21 VAL 73 3HG2 VAL 73 -5.725 -7.072 -0.768 602 HG22 VAL 73 1HG2 VAL 73 -5.061 -5.505 -0.300 603 HG23 VAL 73 2HG2 VAL 73 -6.679 -5.606 -0.995 604 H ALA 74 H ALA 74 -9.025 -5.513 2.500 605 HA ALA 74 HA ALA 74 -8.570 -6.940 4.942 606 HB1 ALA 74 3HB ALA 74 -10.286 -4.517 4.430 607 HB2 ALA 74 1HB ALA 74 -8.583 -4.502 4.894 608 HB3 ALA 74 2HB ALA 74 -9.798 -5.127 6.011 609 H ALA 75 H ALA 75 -11.370 -6.367 2.851 610 HA ALA 75 HA ALA 75 -13.057 -7.957 4.620 611 HB1 ALA 75 3HB ALA 75 -14.888 -7.315 3.160 612 HB2 ALA 75 1HB ALA 75 -13.757 -6.567 2.033 613 HB3 ALA 75 2HB ALA 75 -13.966 -5.894 3.651 614 H HIS 76 H HIS 76 -10.756 -8.928 2.843 615 HA HIS 76 HA HIS 76 -11.928 -10.641 0.888 616 HD1 HIS 76 HD1 HIS 76 -10.178 -10.708 -1.430 617 HD2 HIS 76 HD2 HIS 76 -8.777 -13.564 1.253 618 HE1 HIS 76 HE1 HIS 76 -9.566 -12.712 -2.826 619 HE2 HIS 76 HE2 HIS 76 -8.535 -14.345 -1.206 620 HB2 HIS 76 2HB HIS 76 -9.509 -9.810 0.976 621 HB3 HIS 76 1HB HIS 76 -9.239 -11.034 2.211 622 H GLY 77 H GLY 77 -11.252 -10.867 4.284 623 HA2 GLY 77 2HA GLY 77 -12.150 -13.672 4.314 624 HA3 GLY 77 1HA GLY 77 -11.300 -12.864 5.629 625 H GLU 78 H GLU 78 -14.331 -13.084 3.893 626 HA GLU 78 HA GLU 78 -15.666 -11.446 5.932 627 HB2 GLU 78 2HB GLU 78 -17.503 -11.304 4.286 628 HB3 GLU 78 1HB GLU 78 -15.978 -10.733 3.620 629 HG2 GLU 78 2HG GLU 78 -15.665 -12.832 2.454 630 HG3 GLU 78 1HG GLU 78 -17.144 -13.472 3.168 631 H LYS 79 H LYS 79 -15.388 -14.657 4.732 632 HA LYS 79 HA LYS 79 -18.006 -15.548 5.401 633 HB2 LYS 79 2HB LYS 79 -15.488 -17.126 4.849 634 HB3 LYS 79 1HB LYS 79 -17.105 -17.811 4.963 635 HG2 LYS 79 2HG LYS 79 -16.178 -15.795 2.923 636 HG3 LYS 79 1HG LYS 79 -16.425 -17.521 2.643 637 HD2 LYS 79 2HD LYS 79 -18.556 -15.538 3.459 638 HD3 LYS 79 1HD LYS 79 -18.328 -16.200 1.840 639 HE2 LYS 79 2HE LYS 79 -18.819 -18.428 2.641 640 HE3 LYS 79 1HE LYS 79 -18.930 -17.839 4.299 641 HZ1 LYS 79 3HZ LYS 79 -21.116 -18.121 3.370 642 HZ2 LYS 79 1HZ LYS 79 -20.739 -17.122 2.052 643 HZ3 LYS 79 2HZ LYS 79 -20.825 -16.468 3.615 644 H ALA 80 H ALA 80 -14.864 -15.764 7.004 645 HA ALA 80 HA ALA 80 -16.280 -16.732 9.406 646 HB1 ALA 80 3HB ALA 80 -14.260 -17.920 10.044 647 HB2 ALA 80 1HB ALA 80 -13.437 -17.338 8.598 648 HB3 ALA 80 2HB ALA 80 -14.803 -18.444 8.451 649 H LEU 81 H LEU 81 -16.240 -15.392 11.071 650 HA LEU 81 HA LEU 81 -14.526 -13.062 11.003 651 HG LEU 81 HG LEU 81 -16.431 -11.534 11.060 652 HB2 LEU 81 2HB LEU 81 -16.728 -13.944 12.855 653 HB3 LEU 81 1HB LEU 81 -15.694 -12.584 13.248 654 HD11 LEU 81 1HD1 LEU 81 -17.260 -13.530 9.948 655 HD12 LEU 81 2HD1 LEU 81 -18.554 -12.342 10.125 656 HD13 LEU 81 3HD1 LEU 81 -18.487 -13.741 11.200 657 HD21 LEU 81 3HD2 LEU 81 -17.294 -10.851 13.249 658 HD22 LEU 81 1HD2 LEU 81 -18.558 -12.078 13.130 659 HD23 LEU 81 2HD2 LEU 81 -18.524 -10.729 11.991 660 H LYS 82 H LYS 82 -12.750 -14.794 11.059 661 HA LYS 82 HA LYS 82 -11.912 -15.875 13.523 662 HB2 LYS 82 2HB LYS 82 -10.972 -16.653 11.450 663 HB3 LYS 82 1HB LYS 82 -10.433 -15.040 11.021 664 HG2 LYS 82 2HG LYS 82 -8.771 -15.098 12.780 665 HG3 LYS 82 1HG LYS 82 -9.350 -16.682 13.301 666 HD2 LYS 82 2HD LYS 82 -8.689 -17.676 11.220 667 HD3 LYS 82 1HD LYS 82 -8.298 -16.100 10.536 668 HE2 LYS 82 2HE LYS 82 -6.470 -15.838 12.098 669 HE3 LYS 82 1HE LYS 82 -6.899 -17.351 12.893 670 HZ1 LYS 82 3HZ LYS 82 -6.138 -17.190 10.030 671 HZ2 LYS 82 1HZ LYS 82 -6.297 -18.582 10.987 672 HZ3 LYS 82 2HZ LYS 82 -5.021 -17.498 11.273 673 H VAL 83 H VAL 83 -10.313 -15.044 15.002 674 HA VAL 83 HA VAL 83 -10.843 -12.477 15.888 675 HB VAL 83 HB VAL 83 -9.852 -14.199 17.310 676 HG11 VAL 83 1HG1 VAL 83 -7.464 -14.708 17.211 677 HG12 VAL 83 2HG1 VAL 83 -7.311 -13.715 15.764 678 HG13 VAL 83 3HG1 VAL 83 -8.289 -15.183 15.727 679 HG21 VAL 83 3HG2 VAL 83 -8.265 -12.806 18.538 680 HG22 VAL 83 1HG2 VAL 83 -9.668 -11.872 18.014 681 HG23 VAL 83 2HG2 VAL 83 -8.137 -11.725 17.152 682 H THR 84 H THR 84 -8.488 -13.508 13.553 683 HA THR 84 HA THR 84 -6.978 -11.069 13.546 684 HB THR 84 HB THR 84 -6.972 -13.175 11.397 685 HG1 THR 84 HG1 THR 84 -5.881 -13.260 14.028 686 HG21 THR 84 3HG2 THR 84 -4.842 -11.370 12.556 687 HG22 THR 84 1HG2 THR 84 -5.594 -11.220 10.971 688 HG23 THR 84 2HG2 THR 84 -4.556 -12.604 11.326 689 H MET 85 H MET 85 -9.943 -12.030 12.235 690 HA MET 85 HA MET 85 -9.771 -10.393 9.839 691 HB2 MET 85 2HB MET 85 -11.785 -12.310 10.938 692 HB3 MET 85 1HB MET 85 -12.297 -11.121 9.748 693 HG2 MET 85 2HG MET 85 -11.731 -13.282 8.743 694 HG3 MET 85 1HG MET 85 -10.713 -11.973 8.146 695 HE1 MET 85 3HE MET 85 -8.349 -15.101 8.083 696 HE2 MET 85 1HE MET 85 -9.060 -13.795 7.135 697 HE3 MET 85 2HE MET 85 -10.084 -15.084 7.766 698 H ILE 86 H ILE 86 -11.029 -10.192 13.071 699 HA ILE 86 HA ILE 86 -12.802 -8.028 12.631 700 HB ILE 86 HB ILE 86 -11.370 -8.892 15.147 701 HG12 ILE 86 2HG1 ILE 86 -13.870 -9.433 15.698 702 HG13 ILE 86 1HG1 ILE 86 -14.072 -9.368 13.950 703 HG21 ILE 86 1HG2 ILE 86 -12.862 -7.415 16.383 704 HG22 ILE 86 2HG2 ILE 86 -13.552 -6.826 14.871 705 HG23 ILE 86 3HG2 ILE 86 -11.864 -6.495 15.259 706 HD11 ILE 86 3HD1 ILE 86 -12.430 -11.129 13.676 707 HD12 ILE 86 1HD1 ILE 86 -13.742 -11.643 14.738 708 HD13 ILE 86 2HD1 ILE 86 -12.183 -11.181 15.421 709 H GLN 87 H GLN 87 -9.395 -8.235 13.474 710 HA GLN 87 HA GLN 87 -8.654 -5.587 13.629 711 HB2 GLN 87 2HB GLN 87 -7.001 -7.252 13.973 712 HB3 GLN 87 1HB GLN 87 -7.312 -8.000 12.414 713 HG2 GLN 87 2HG GLN 87 -6.419 -5.883 11.364 714 HG3 GLN 87 1HG GLN 87 -5.885 -5.419 12.981 715 HE21 GLN 87 1HE2 GLN 87 -4.208 -6.530 13.948 716 HE22 GLN 87 2HE2 GLN 87 -3.174 -7.619 13.079 717 H LYS 88 H LYS 88 -9.228 -7.569 10.773 718 HA LYS 88 HA LYS 88 -8.477 -5.656 8.847 719 HB2 LYS 88 2HB LYS 88 -10.448 -7.924 8.517 720 HB3 LYS 88 1HB LYS 88 -9.574 -7.100 7.235 721 HG2 LYS 88 2HG LYS 88 -8.355 -8.823 9.385 722 HG3 LYS 88 1HG LYS 88 -8.611 -9.280 7.701 723 HD2 LYS 88 2HD LYS 88 -7.115 -7.416 7.024 724 HD3 LYS 88 1HD LYS 88 -6.787 -7.112 8.731 725 HE2 LYS 88 2HE LYS 88 -6.241 -9.695 7.277 726 HE3 LYS 88 1HE LYS 88 -5.035 -8.472 7.671 727 HZ1 LYS 88 3HZ LYS 88 -5.155 -10.403 9.228 728 HZ2 LYS 88 1HZ LYS 88 -6.679 -9.847 9.724 729 HZ3 LYS 88 2HZ LYS 88 -5.306 -8.885 9.974 730 H TYR 89 H TYR 89 -11.634 -6.580 10.206 731 HA TYR 89 HA TYR 89 -13.186 -4.846 8.619 732 HD1 TYR 89 HD2 TYR 89 -14.104 -6.647 7.788 733 HD2 TYR 89 HD1 TYR 89 -14.547 -7.974 11.808 734 HE1 TYR 89 HE2 TYR 89 -14.532 -8.933 6.985 735 HE2 TYR 89 HE1 TYR 89 -14.981 -10.259 11.015 736 HH TYR 89 HH TYR 89 -14.353 -11.261 7.861 737 HB2 TYR 89 2HB TYR 89 -13.823 -5.814 11.413 738 HB3 TYR 89 1HB TYR 89 -14.968 -5.191 10.235 739 H ARG 90 H ARG 90 -11.621 -4.412 11.757 740 HA ARG 90 HA ARG 90 -12.819 -1.931 12.395 741 HE ARG 90 HE ARG 90 -13.657 -3.907 16.422 742 HB2 ARG 90 2HB ARG 90 -10.270 -3.235 13.331 743 HB3 ARG 90 1HB ARG 90 -10.822 -1.686 13.951 744 HG2 ARG 90 2HG ARG 90 -12.339 -4.282 14.109 745 HG3 ARG 90 1HG ARG 90 -11.445 -3.520 15.427 746 HD2 ARG 90 2HD ARG 90 -12.929 -1.565 15.279 747 HD3 ARG 90 1HD ARG 90 -13.832 -2.360 13.990 748 HH11 ARG 90 1HH1 ARG 90 -15.469 -1.440 14.706 749 HH12 ARG 90 2HH1 ARG 90 -16.931 -1.711 15.603 750 HH21 ARG 90 1HH2 ARG 90 -15.590 -4.279 17.581 751 HH22 ARG 90 2HH2 ARG 90 -17.007 -3.341 17.211 752 H GLN 91 H GLN 91 -9.912 -2.754 10.581 753 HA GLN 91 HA GLN 91 -9.430 0.112 10.189 754 HB2 GLN 91 2HB GLN 91 -7.674 -2.248 9.500 755 HB3 GLN 91 1HB GLN 91 -7.244 -0.554 9.278 756 HG2 GLN 91 2HG GLN 91 -7.621 -0.275 11.762 757 HG3 GLN 91 1HG GLN 91 -7.683 -2.033 11.856 758 HE21 GLN 91 1HE2 GLN 91 -5.700 0.742 11.345 759 HE22 GLN 91 2HE2 GLN 91 -4.175 -0.062 11.423 760 H LEU 92 H LEU 92 -11.394 -1.939 8.902 761 HA LEU 92 HA LEU 92 -10.924 -1.330 6.087 762 HG LEU 92 HG LEU 92 -13.617 -1.679 5.157 763 HB2 LEU 92 2HB LEU 92 -11.796 -3.530 6.587 764 HB3 LEU 92 1HB LEU 92 -13.113 -2.843 7.519 765 HD11 LEU 92 1HD1 LEU 92 -11.743 -2.715 4.017 766 HD12 LEU 92 2HD1 LEU 92 -13.273 -3.307 3.363 767 HD13 LEU 92 3HD1 LEU 92 -12.337 -4.314 4.469 768 HD21 LEU 92 3HD2 LEU 92 -14.437 -4.453 5.989 769 HD22 LEU 92 1HD2 LEU 92 -15.253 -3.473 4.771 770 HD23 LEU 92 2HD2 LEU 92 -15.216 -2.939 6.452 771 H HIS 93 H HIS 93 -13.293 -0.748 8.629 772 HA HIS 93 HA HIS 93 -15.068 0.815 7.103 773 HD1 HIS 93 HD1 HIS 93 -15.752 2.770 11.002 774 HD2 HIS 93 HD2 HIS 93 -17.929 1.089 7.878 775 HE1 HIS 93 HE1 HIS 93 -17.905 4.078 10.887 776 HE2 HIS 93 HE2 HIS 93 -19.260 2.950 9.082 777 HB2 HIS 93 2HB HIS 93 -15.711 -0.354 9.168 778 HB3 HIS 93 1HB HIS 93 -14.677 0.718 10.102 779 H HIS 94 H HIS 94 -14.492 2.649 6.174 780 HA HIS 94 HA HIS 94 -12.596 4.485 7.269 781 HD1 HIS 94 HD1 HIS 94 -15.438 7.180 5.554 782 HD2 HIS 94 HD2 HIS 94 -15.623 3.359 3.903 783 HE1 HIS 94 HE1 HIS 94 -17.681 7.025 4.436 784 HE2 HIS 94 HE2 HIS 94 -17.855 4.641 3.654 785 HB2 HIS 94 2HB HIS 94 -13.139 5.935 5.432 786 HB3 HIS 94 1HB HIS 94 -13.138 4.291 4.807 787 H HIS 95 H HIS 95 -13.178 6.793 7.728 788 HA HIS 95 HA HIS 95 -15.335 6.956 9.609 789 HD1 HIS 95 HD1 HIS 95 -14.187 7.958 12.040 790 HD2 HIS 95 HD2 HIS 95 -11.095 8.215 9.270 791 HE1 HIS 95 HE1 HIS 95 -12.102 7.323 13.290 792 HE2 HIS 95 HE2 HIS 95 -10.226 7.742 11.661 793 HB2 HIS 95 2HB HIS 95 -13.535 9.116 8.483 794 HB3 HIS 95 1HB HIS 95 -14.697 9.357 9.784 Start of MODEL 15 1 HA MET 1 HA MET 1 1.095 22.379 10.870 2 H1 MET 1 1H MET 1 -0.909 21.135 10.289 3 H2 MET 1 2H MET 1 -0.227 20.749 8.786 4 H3 MET 1 3H MET 1 -0.549 22.366 9.181 5 HB2 MET 1 2HB MET 1 0.825 20.067 11.626 6 HB3 MET 1 1HB MET 1 1.517 19.477 10.120 7 HG2 MET 1 2HG MET 1 3.637 20.588 10.686 8 HG3 MET 1 1HG MET 1 2.936 21.105 12.217 9 HE1 MET 1 3HE MET 1 5.489 18.355 13.318 10 HE2 MET 1 1HE MET 1 4.946 20.017 13.554 11 HE3 MET 1 2HE MET 1 5.671 19.535 12.021 12 H TYR 2 H TYR 2 1.965 20.103 8.270 13 HA TYR 2 HA TYR 2 3.392 22.141 6.810 14 HD1 TYR 2 HD2 TYR 2 5.843 23.378 7.401 15 HD2 TYR 2 HD1 TYR 2 6.375 19.362 6.120 16 HE1 TYR 2 HE2 TYR 2 7.688 24.097 5.942 17 HE2 TYR 2 HE1 TYR 2 8.217 20.066 4.656 18 HH TYR 2 HH TYR 2 9.627 23.201 4.826 19 HB2 TYR 2 2HB TYR 2 4.940 21.426 8.693 20 HB3 TYR 2 1HB TYR 2 4.968 19.826 7.960 21 H LEU 3 H LEU 3 4.047 21.411 4.734 22 HA LEU 3 HA LEU 3 2.298 19.615 3.507 23 HG LEU 3 HG LEU 3 2.368 19.896 1.051 24 HB2 LEU 3 2HB LEU 3 3.707 21.510 2.499 25 HB3 LEU 3 1HB LEU 3 5.014 20.347 2.430 26 HD11 LEU 3 1HD1 LEU 3 3.491 20.658 -0.996 27 HD12 LEU 3 2HD1 LEU 3 4.889 21.144 -0.036 28 HD13 LEU 3 3HD1 LEU 3 3.337 21.951 0.194 29 HD21 LEU 3 3HD2 LEU 3 3.763 17.904 1.413 30 HD22 LEU 3 1HD2 LEU 3 5.110 18.710 0.608 31 HD23 LEU 3 2HD2 LEU 3 3.647 18.318 -0.297 32 H LYS 4 H LYS 4 5.827 19.165 3.872 33 HA LYS 4 HA LYS 4 5.453 16.321 3.412 34 HB2 LYS 4 2HB LYS 4 7.228 17.486 2.184 35 HB3 LYS 4 1HB LYS 4 7.995 17.933 3.702 36 HG2 LYS 4 2HG LYS 4 8.491 15.640 4.195 37 HG3 LYS 4 1HG LYS 4 7.558 15.095 2.800 38 HD2 LYS 4 2HD LYS 4 9.124 16.162 1.291 39 HD3 LYS 4 1HD LYS 4 10.027 16.824 2.658 40 HE2 LYS 4 2HE LYS 4 10.631 14.601 3.381 41 HE3 LYS 4 1HE LYS 4 9.635 13.884 2.116 42 HZ1 LYS 4 3HZ LYS 4 11.914 15.684 1.522 43 HZ2 LYS 4 1HZ LYS 4 11.090 14.659 0.455 44 HZ3 LYS 4 2HZ LYS 4 12.088 14.002 1.657 45 H ARG 5 H ARG 5 4.852 15.223 5.120 46 HA ARG 5 HA ARG 5 6.604 15.268 7.454 47 HE ARG 5 HE ARG 5 2.067 14.600 9.101 48 HB2 ARG 5 2HB ARG 5 4.641 16.605 8.075 49 HB3 ARG 5 1HB ARG 5 3.576 15.300 7.572 50 HG2 ARG 5 2HG ARG 5 4.449 13.879 9.339 51 HG3 ARG 5 1HG ARG 5 5.567 15.156 9.826 52 HD2 ARG 5 2HD ARG 5 3.599 15.096 11.275 53 HD3 ARG 5 1HD ARG 5 3.692 16.610 10.375 54 HH11 ARG 5 1HH1 ARG 5 2.079 17.151 11.499 55 HH12 ARG 5 2HH1 ARG 5 0.375 17.472 11.347 56 HH21 ARG 5 1HH2 ARG 5 -0.155 15.010 8.905 57 HH22 ARG 5 2HH2 ARG 5 -0.893 16.269 9.851 58 H VAL 6 H VAL 6 7.305 13.274 7.840 59 HA VAL 6 HA VAL 6 6.381 11.075 6.293 60 HB VAL 6 HB VAL 6 8.209 11.068 8.703 61 HG11 VAL 6 1HG1 VAL 6 7.752 8.959 6.589 62 HG12 VAL 6 2HG1 VAL 6 7.257 8.859 8.280 63 HG13 VAL 6 3HG1 VAL 6 8.971 8.891 7.863 64 HG21 VAL 6 3HG2 VAL 6 10.017 10.985 7.059 65 HG22 VAL 6 1HG2 VAL 6 9.051 12.448 6.877 66 HG23 VAL 6 2HG2 VAL 6 8.836 11.106 5.753 67 H ASP 7 H ASP 7 4.407 10.334 6.621 68 HA ASP 7 HA ASP 7 3.348 10.039 9.317 69 HB2 ASP 7 2HB ASP 7 1.989 10.998 7.411 70 HB3 ASP 7 1HB ASP 7 1.993 9.393 6.691 71 H GLY 8 H GLY 8 4.019 8.269 10.331 72 HA2 GLY 8 2HA GLY 8 3.526 5.900 10.612 73 HA3 GLY 8 1HA GLY 8 3.817 5.705 8.890 74 HA PRO 9 HA PRO 9 7.813 5.035 11.357 75 HB2 PRO 9 2HB PRO 9 7.377 2.170 11.376 76 HB3 PRO 9 1HB PRO 9 7.634 3.255 12.742 77 HG2 PRO 9 2HG PRO 9 5.265 1.994 12.235 78 HG3 PRO 9 1HG PRO 9 5.394 3.533 13.106 79 HD2 PRO 9 2HD PRO 9 4.658 3.024 10.250 80 HD3 PRO 9 1HD PRO 9 3.977 4.196 11.399 81 H ARG 10 H ARG 10 9.609 3.435 10.629 82 HA ARG 10 HA ARG 10 9.718 3.557 7.761 83 HE ARG 10 HE ARG 10 13.927 3.251 7.484 84 HB2 ARG 10 2HB ARG 10 11.637 2.631 9.878 85 HB3 ARG 10 1HB ARG 10 11.977 2.390 8.170 86 HG2 ARG 10 2HG ARG 10 11.881 4.784 7.786 87 HG3 ARG 10 1HG ARG 10 11.459 5.052 9.480 88 HD2 ARG 10 2HD ARG 10 13.865 5.433 8.952 89 HD3 ARG 10 1HD ARG 10 13.583 4.231 10.209 90 HH11 ARG 10 1HH1 ARG 10 15.358 3.829 10.621 91 HH12 ARG 10 2HH1 ARG 10 16.615 2.647 10.416 92 HH21 ARG 10 1HH2 ARG 10 15.567 1.706 7.190 93 HH22 ARG 10 2HH2 ARG 10 16.741 1.434 8.453 94 H GLN 11 H GLN 11 8.933 1.096 10.076 95 HA GLN 11 HA GLN 11 8.332 -0.705 7.893 96 HB2 GLN 11 2HB GLN 11 9.594 -2.568 8.690 97 HB3 GLN 11 1HB GLN 11 10.702 -1.211 8.547 98 HG2 GLN 11 2HG GLN 11 10.522 -0.838 10.973 99 HG3 GLN 11 1HG GLN 11 9.458 -2.237 11.093 100 HE21 GLN 11 1HE2 GLN 11 10.781 -3.414 12.416 101 HE22 GLN 11 2HE2 GLN 11 12.307 -4.058 11.899 102 H VAL 12 H VAL 12 6.765 -2.225 8.369 103 HA VAL 12 HA VAL 12 5.771 -2.298 11.135 104 HB VAL 12 HB VAL 12 3.452 -2.570 10.245 105 HG11 VAL 12 1HG1 VAL 12 4.177 -0.441 11.152 106 HG12 VAL 12 2HG1 VAL 12 3.081 -0.189 9.792 107 HG13 VAL 12 3HG1 VAL 12 4.819 0.031 9.579 108 HG21 VAL 12 3HG2 VAL 12 2.963 -1.816 7.965 109 HG22 VAL 12 1HG2 VAL 12 3.990 -3.248 7.971 110 HG23 VAL 12 2HG2 VAL 12 4.690 -1.662 7.646 111 H THR 13 H THR 13 4.576 -4.280 11.642 112 HA THR 13 HA THR 13 5.742 -6.551 10.203 113 HB THR 13 HB THR 13 4.414 -6.608 12.916 114 HG1 THR 13 HG1 THR 13 7.204 -6.349 12.362 115 HG21 THR 13 3HG2 THR 13 4.694 -8.783 11.834 116 HG22 THR 13 1HG2 THR 13 5.769 -8.634 13.225 117 HG23 THR 13 2HG2 THR 13 6.410 -8.455 11.592 118 H LEU 14 H LEU 14 4.486 -8.099 9.263 119 HA LEU 14 HA LEU 14 1.639 -7.574 9.025 120 HG LEU 14 HG LEU 14 2.769 -8.669 5.624 121 HB2 LEU 14 2HB LEU 14 3.468 -9.629 7.782 122 HB3 LEU 14 1HB LEU 14 1.734 -9.649 7.545 123 HD11 LEU 14 1HD1 LEU 14 1.501 -6.505 7.285 124 HD12 LEU 14 2HD1 LEU 14 0.644 -7.708 6.321 125 HD13 LEU 14 3HD1 LEU 14 1.672 -6.511 5.530 126 HD21 LEU 14 3HD2 LEU 14 4.871 -7.967 6.635 127 HD22 LEU 14 1HD2 LEU 14 4.035 -6.667 7.485 128 HD23 LEU 14 2HD2 LEU 14 4.124 -6.658 5.723 129 HA PRO 15 HA PRO 15 0.364 -10.617 12.051 130 HB2 PRO 15 2HB PRO 15 -1.886 -11.294 10.286 131 HB3 PRO 15 1HB PRO 15 -1.908 -10.580 11.899 132 HG2 PRO 15 2HG PRO 15 -2.550 -9.164 9.699 133 HG3 PRO 15 1HG PRO 15 -1.743 -8.424 11.094 134 HD2 PRO 15 2HD PRO 15 -0.587 -9.304 8.476 135 HD3 PRO 15 1HD PRO 15 -0.226 -7.850 9.432 136 H ASP 16 H ASP 16 0.897 -11.239 8.743 137 HA ASP 16 HA ASP 16 0.710 -14.099 8.813 138 HB2 ASP 16 2HB ASP 16 0.314 -12.995 6.727 139 HB3 ASP 16 1HB ASP 16 1.842 -12.132 6.818 140 H GLY 17 H GLY 17 3.099 -11.776 9.651 141 HA2 GLY 17 2HA GLY 17 5.021 -12.480 10.935 142 HA3 GLY 17 1HA GLY 17 5.076 -13.942 9.957 143 H THR 18 H THR 18 4.356 -11.578 7.858 144 HA THR 18 HA THR 18 7.043 -11.469 6.829 145 HB THR 18 HB THR 18 5.398 -9.761 5.319 146 HG1 THR 18 HG1 THR 18 3.967 -12.176 5.661 147 HG21 THR 18 3HG2 THR 18 6.059 -12.679 4.895 148 HG22 THR 18 1HG2 THR 18 7.075 -11.312 4.434 149 HG23 THR 18 2HG2 THR 18 5.513 -11.552 3.653 150 H VAL 19 H VAL 19 7.962 -9.352 6.088 151 HA VAL 19 HA VAL 19 7.382 -7.215 8.043 152 HB VAL 19 HB VAL 19 10.014 -7.795 6.657 153 HG11 VAL 19 1HG1 VAL 19 9.689 -5.406 7.044 154 HG12 VAL 19 2HG1 VAL 19 10.930 -6.048 8.122 155 HG13 VAL 19 3HG1 VAL 19 9.311 -5.722 8.738 156 HG21 VAL 19 3HG2 VAL 19 9.513 -9.445 8.377 157 HG22 VAL 19 1HG2 VAL 19 9.194 -8.156 9.539 158 HG23 VAL 19 2HG2 VAL 19 10.823 -8.385 8.901 159 H LEU 20 H LEU 20 6.789 -5.285 7.266 160 HA LEU 20 HA LEU 20 7.116 -4.789 4.380 161 HG LEU 20 HG LEU 20 5.098 -2.315 4.528 162 HB2 LEU 20 2HB LEU 20 4.804 -5.298 4.834 163 HB3 LEU 20 1HB LEU 20 4.762 -4.163 6.167 164 HD11 LEU 20 1HD1 LEU 20 6.165 -3.653 2.758 165 HD12 LEU 20 2HD1 LEU 20 4.770 -2.750 2.165 166 HD13 LEU 20 3HD1 LEU 20 4.631 -4.480 2.478 167 HD21 LEU 20 3HD2 LEU 20 2.807 -2.387 3.665 168 HD22 LEU 20 1HD2 LEU 20 2.880 -2.894 5.353 169 HD23 LEU 20 2HD2 LEU 20 2.709 -4.098 4.075 170 H SER 21 H SER 21 8.753 -3.363 4.331 171 HA SER 21 HA SER 21 8.700 -1.115 6.207 172 HG SER 21 HG SER 21 10.616 -2.816 3.658 173 HB2 SER 21 2HB SER 21 10.991 -0.690 5.523 174 HB3 SER 21 1HB SER 21 10.824 -2.396 5.920 175 H ARG 22 H ARG 22 9.412 1.041 5.166 176 HA ARG 22 HA ARG 22 7.520 1.714 3.153 177 HE ARG 22 HE ARG 22 8.739 6.171 4.175 178 HB2 ARG 22 2HB ARG 22 9.833 3.284 4.307 179 HB3 ARG 22 1HB ARG 22 8.639 3.957 3.203 180 HG2 ARG 22 2HG ARG 22 6.873 3.514 4.813 181 HG3 ARG 22 1HG ARG 22 8.038 2.776 5.909 182 HD2 ARG 22 2HD ARG 22 7.526 5.054 6.595 183 HD3 ARG 22 1HD ARG 22 9.212 4.915 6.102 184 HH11 ARG 22 1HH1 ARG 22 5.945 5.813 6.272 185 HH12 ARG 22 2HH1 ARG 22 5.062 7.106 5.529 186 HH21 ARG 22 1HH2 ARG 22 7.588 7.860 3.192 187 HH22 ARG 22 2HH2 ARG 22 5.989 8.268 3.732 188 H ALA 23 H ALA 23 10.432 0.164 2.929 189 HA ALA 23 HA ALA 23 10.975 1.147 0.217 190 HB1 ALA 23 3HB ALA 23 12.635 -0.671 1.964 191 HB2 ALA 23 1HB ALA 23 12.887 1.061 1.757 192 HB3 ALA 23 2HB ALA 23 13.102 -0.030 0.388 193 H ASP 24 H ASP 24 9.166 -1.159 1.726 194 HA ASP 24 HA ASP 24 9.607 -3.261 -0.244 195 HB2 ASP 24 2HB ASP 24 7.872 -3.047 2.201 196 HB3 ASP 24 1HB ASP 24 7.600 -4.317 1.015 197 H LEU 25 H LEU 25 7.783 -0.471 0.092 198 HA LEU 25 HA LEU 25 5.385 -1.089 -1.181 199 HG LEU 25 HG LEU 25 5.782 0.737 1.003 200 HB2 LEU 25 2HB LEU 25 7.026 1.426 -1.067 201 HB3 LEU 25 1HB LEU 25 5.507 1.362 -1.940 202 HD11 LEU 25 1HD1 LEU 25 6.365 3.072 0.541 203 HD12 LEU 25 2HD1 LEU 25 4.830 2.941 1.401 204 HD13 LEU 25 3HD1 LEU 25 4.845 3.276 -0.330 205 HD21 LEU 25 3HD2 LEU 25 3.379 1.235 -0.753 206 HD22 LEU 25 1HD2 LEU 25 3.342 0.993 0.993 207 HD23 LEU 25 2HD2 LEU 25 3.866 -0.313 -0.067 208 HA PRO 26 HA PRO 26 6.598 -2.411 -5.216 209 HB2 PRO 26 2HB PRO 26 4.250 -1.624 -6.486 210 HB3 PRO 26 1HB PRO 26 4.483 -3.158 -5.642 211 HG2 PRO 26 2HG PRO 26 3.212 -0.635 -4.674 212 HG3 PRO 26 1HG PRO 26 2.721 -2.319 -4.404 213 HD2 PRO 26 2HD PRO 26 3.967 -0.935 -2.500 214 HD3 PRO 26 1HD PRO 26 4.340 -2.652 -2.766 215 HA PRO 27 HA PRO 27 8.255 0.908 -7.560 216 HB2 PRO 27 2HB PRO 27 7.372 0.253 -10.119 217 HB3 PRO 27 1HB PRO 27 8.832 -0.369 -9.345 218 HG2 PRO 27 2HG PRO 27 6.129 -1.617 -9.582 219 HG3 PRO 27 1HG PRO 27 7.731 -2.374 -9.688 220 HD2 PRO 27 2HD PRO 27 6.239 -2.607 -7.485 221 HD3 PRO 27 1HD PRO 27 8.001 -2.407 -7.376 222 H LEU 28 H LEU 28 7.664 2.935 -7.945 223 HA LEU 28 HA LEU 28 5.013 3.755 -7.566 224 HG LEU 28 HG LEU 28 8.042 4.604 -6.662 225 HB2 LEU 28 2HB LEU 28 7.249 5.344 -8.823 226 HB3 LEU 28 1HB LEU 28 5.789 5.996 -8.106 227 HD11 LEU 28 1HD1 LEU 28 8.483 6.928 -7.304 228 HD12 LEU 28 2HD1 LEU 28 8.326 6.747 -5.556 229 HD13 LEU 28 3HD1 LEU 28 6.996 7.426 -6.495 230 HD21 LEU 28 3HD2 LEU 28 5.433 5.651 -5.582 231 HD22 LEU 28 1HD2 LEU 28 6.783 5.064 -4.613 232 HD23 LEU 28 2HD2 LEU 28 5.915 3.959 -5.678 233 H ASP 29 H ASP 29 6.832 3.127 -10.488 234 HA ASP 29 HA ASP 29 4.651 4.205 -12.132 235 HB2 ASP 29 2HB ASP 29 7.493 3.432 -12.815 236 HB3 ASP 29 1HB ASP 29 6.304 3.902 -14.023 237 H THR 30 H THR 30 4.356 1.674 -10.731 238 HA THR 30 HA THR 30 4.789 -0.467 -12.531 239 HB THR 30 HB THR 30 4.535 -0.911 -10.162 240 HG1 THR 30 HG1 THR 30 3.559 -2.341 -12.016 241 HG21 THR 30 3HG2 THR 30 2.924 0.796 -9.551 242 HG22 THR 30 1HG2 THR 30 2.338 -0.793 -9.065 243 HG23 THR 30 2HG2 THR 30 1.676 -0.009 -10.500 244 H ARG 31 H ARG 31 1.935 1.545 -11.865 245 HA ARG 31 HA ARG 31 0.047 1.969 -13.026 246 HE ARG 31 HE ARG 31 2.352 5.297 -15.487 247 HB2 ARG 31 2HB ARG 31 1.826 1.000 -15.216 248 HB3 ARG 31 1HB ARG 31 0.113 1.192 -15.552 249 HG2 ARG 31 2HG ARG 31 1.435 3.164 -16.185 250 HG3 ARG 31 1HG ARG 31 0.211 3.529 -14.970 251 HD2 ARG 31 2HD ARG 31 1.886 3.511 -13.228 252 HD3 ARG 31 1HD ARG 31 3.121 3.012 -14.382 253 HH11 ARG 31 1HH1 ARG 31 2.850 4.591 -12.088 254 HH12 ARG 31 2HH1 ARG 31 3.509 6.158 -11.721 255 HH21 ARG 31 1HH2 ARG 31 3.193 7.379 -15.000 256 HH22 ARG 31 2HH2 ARG 31 3.688 7.742 -13.376 257 H ARG 32 H ARG 32 1.032 -1.155 -14.465 258 HA ARG 32 HA ARG 32 -1.662 -2.131 -14.226 259 HE ARG 32 HE ARG 32 -2.168 -6.678 -16.205 260 HB2 ARG 32 2HB ARG 32 -0.161 -2.728 -16.132 261 HB3 ARG 32 1HB ARG 32 0.823 -3.656 -15.011 262 HG2 ARG 32 2HG ARG 32 -1.040 -5.136 -14.550 263 HG3 ARG 32 1HG ARG 32 -2.082 -4.177 -15.605 264 HD2 ARG 32 2HD ARG 32 -0.616 -4.695 -17.501 265 HD3 ARG 32 1HD ARG 32 0.396 -5.673 -16.440 266 HH11 ARG 32 1HH1 ARG 32 0.177 -6.242 -18.753 267 HH12 ARG 32 2HH1 ARG 32 -0.324 -7.639 -19.646 268 HH21 ARG 32 1HH2 ARG 32 -2.851 -8.529 -17.367 269 HH22 ARG 32 2HH2 ARG 32 -2.052 -8.953 -18.857 270 H TRP 33 H TRP 33 -1.918 -1.932 -12.009 271 HA TRP 33 HA TRP 33 -0.333 -3.187 -10.052 272 HD1 TRP 33 HD1 TRP 33 -2.468 0.266 -10.713 273 HE1 TRP 33 HE1 TRP 33 -1.090 2.068 -9.489 274 HE3 TRP 33 HE3 TRP 33 -0.415 -2.647 -7.067 275 HZ2 TRP 33 HZ2 TRP 33 0.630 2.215 -7.263 276 HZ3 TRP 33 HZ3 TRP 33 1.083 -1.606 -5.426 277 HH2 TRP 33 HH2 TRP 33 1.597 0.777 -5.523 278 HB2 TRP 33 2HB TRP 33 -3.175 -2.204 -10.066 279 HB3 TRP 33 1HB TRP 33 -2.433 -2.913 -8.635 280 H VAL 34 H VAL 34 -0.176 -5.211 -9.401 281 HA VAL 34 HA VAL 34 -2.300 -7.107 -10.115 282 HB VAL 34 HB VAL 34 -0.726 -8.899 -9.605 283 HG11 VAL 34 1HG1 VAL 34 0.468 -6.821 -11.428 284 HG12 VAL 34 2HG1 VAL 34 -0.758 -8.010 -11.866 285 HG13 VAL 34 3HG1 VAL 34 0.863 -8.540 -11.426 286 HG21 VAL 34 3HG2 VAL 34 1.258 -6.713 -8.999 287 HG22 VAL 34 1HG2 VAL 34 1.614 -8.438 -9.079 288 HG23 VAL 34 2HG2 VAL 34 0.540 -7.815 -7.825 289 H ALA 35 H ALA 35 -2.722 -8.799 -8.406 290 HA ALA 35 HA ALA 35 -3.948 -7.540 -6.254 291 HB1 ALA 35 3HB ALA 35 -4.609 -9.722 -7.168 292 HB2 ALA 35 1HB ALA 35 -4.442 -9.747 -5.412 293 HB3 ALA 35 2HB ALA 35 -3.182 -10.447 -6.426 294 H SER 36 H SER 36 -0.846 -9.236 -6.337 295 HA SER 36 HA SER 36 -0.379 -9.258 -3.569 296 HG SER 36 HG SER 36 -0.107 -11.159 -4.976 297 HB2 SER 36 2HB SER 36 1.710 -9.169 -5.744 298 HB3 SER 36 1HB SER 36 1.872 -9.867 -4.128 299 H ARG 37 H ARG 37 0.570 -6.912 -6.067 300 HA ARG 37 HA ARG 37 2.140 -5.337 -4.286 301 HE ARG 37 HE ARG 37 4.588 -6.630 -8.467 302 HB2 ARG 37 2HB ARG 37 0.953 -4.565 -6.962 303 HB3 ARG 37 1HB ARG 37 2.230 -3.704 -6.108 304 HG2 ARG 37 2HG ARG 37 3.658 -5.704 -6.284 305 HG3 ARG 37 1HG ARG 37 2.383 -6.499 -7.209 306 HD2 ARG 37 2HD ARG 37 2.547 -4.626 -8.864 307 HD3 ARG 37 1HD ARG 37 3.968 -4.059 -7.983 308 HH11 ARG 37 1HH1 ARG 37 3.516 -4.020 -10.538 309 HH12 ARG 37 2HH1 ARG 37 4.240 -4.686 -11.968 310 HH21 ARG 37 1HH2 ARG 37 5.526 -7.524 -10.347 311 HH22 ARG 37 2HH2 ARG 37 5.359 -6.687 -11.866 312 H LYS 38 H LYS 38 -1.191 -5.201 -5.422 313 HA LYS 38 HA LYS 38 -1.944 -2.779 -4.216 314 HB2 LYS 38 2HB LYS 38 -3.571 -5.282 -4.686 315 HB3 LYS 38 1HB LYS 38 -4.251 -3.749 -4.170 316 HG2 LYS 38 2HG LYS 38 -3.386 -2.730 -6.265 317 HG3 LYS 38 1HG LYS 38 -2.889 -4.343 -6.782 318 HD2 LYS 38 2HD LYS 38 -5.228 -5.100 -6.545 319 HD3 LYS 38 1HD LYS 38 -5.696 -3.453 -6.132 320 HE2 LYS 38 2HE LYS 38 -4.962 -2.669 -8.304 321 HE3 LYS 38 1HE LYS 38 -4.396 -4.285 -8.722 322 HZ1 LYS 38 3HZ LYS 38 -7.224 -3.547 -8.163 323 HZ2 LYS 38 1HZ LYS 38 -6.662 -5.087 -8.614 324 HZ3 LYS 38 2HZ LYS 38 -6.558 -3.788 -9.698 325 H ALA 39 H ALA 39 -1.895 -6.089 -2.989 326 HA ALA 39 HA ALA 39 -3.072 -5.644 -0.497 327 HB1 ALA 39 3HB ALA 39 -2.711 -7.874 -1.430 328 HB2 ALA 39 1HB ALA 39 -2.026 -7.736 0.190 329 HB3 ALA 39 2HB ALA 39 -0.971 -7.682 -1.219 330 H ALA 40 H ALA 40 0.354 -5.563 -1.445 331 HA ALA 40 HA ALA 40 1.455 -5.086 1.073 332 HB1 ALA 40 3HB ALA 40 3.400 -4.218 -0.108 333 HB2 ALA 40 1HB ALA 40 2.456 -4.080 -1.592 334 HB3 ALA 40 2HB ALA 40 2.788 -5.668 -0.900 335 H VAL 41 H VAL 41 0.237 -2.787 -1.345 336 HA VAL 41 HA VAL 41 1.032 -0.453 0.049 337 HB VAL 41 HB VAL 41 -1.162 -0.770 -2.006 338 HG11 VAL 41 1HG1 VAL 41 0.253 1.713 -1.042 339 HG12 VAL 41 2HG1 VAL 41 -1.424 1.280 -0.708 340 HG13 VAL 41 3HG1 VAL 41 -0.917 1.635 -2.359 341 HG21 VAL 41 3HG2 VAL 41 1.719 0.058 -2.309 342 HG22 VAL 41 1HG2 VAL 41 0.509 0.052 -3.591 343 HG23 VAL 41 2HG2 VAL 41 1.013 -1.464 -2.846 344 H VAL 42 H VAL 42 -2.109 -2.141 -0.149 345 HA VAL 42 HA VAL 42 -3.436 -0.263 1.501 346 HB VAL 42 HB VAL 42 -4.654 -1.760 -0.032 347 HG11 VAL 42 1HG1 VAL 42 -5.125 -4.076 0.610 348 HG12 VAL 42 2HG1 VAL 42 -3.992 -3.926 1.953 349 HG13 VAL 42 3HG1 VAL 42 -3.410 -3.815 0.292 350 HG21 VAL 42 3HG2 VAL 42 -5.474 -2.007 2.856 351 HG22 VAL 42 1HG2 VAL 42 -6.529 -2.252 1.461 352 HG23 VAL 42 2HG2 VAL 42 -5.837 -0.660 1.777 353 H LYS 43 H LYS 43 -1.731 -3.290 2.211 354 HA LYS 43 HA LYS 43 -2.425 -3.431 4.949 355 HB2 LYS 43 2HB LYS 43 -0.035 -4.485 3.434 356 HB3 LYS 43 1HB LYS 43 -0.283 -4.787 5.149 357 HG2 LYS 43 2HG LYS 43 -2.286 -6.011 4.715 358 HG3 LYS 43 1HG LYS 43 -2.255 -5.560 3.008 359 HD2 LYS 43 2HD LYS 43 -0.231 -6.840 2.667 360 HD3 LYS 43 1HD LYS 43 -0.127 -7.194 4.391 361 HE2 LYS 43 2HE LYS 43 -2.173 -8.488 4.285 362 HE3 LYS 43 1HE LYS 43 -2.384 -8.061 2.588 363 HZ1 LYS 43 3HZ LYS 43 -0.616 -9.401 1.947 364 HZ2 LYS 43 1HZ LYS 43 -1.380 -10.325 3.139 365 HZ3 LYS 43 2HZ LYS 43 0.039 -9.482 3.510 366 H ALA 44 H ALA 44 0.054 -1.683 3.194 367 HA ALA 44 HA ALA 44 1.605 -0.834 5.374 368 HB1 ALA 44 3HB ALA 44 2.351 -0.612 3.050 369 HB2 ALA 44 1HB ALA 44 2.415 0.936 3.895 370 HB3 ALA 44 2HB ALA 44 1.105 0.602 2.764 371 H VAL 45 H VAL 45 -1.204 0.667 3.800 372 HA VAL 45 HA VAL 45 -1.190 2.920 5.562 373 HB VAL 45 HB VAL 45 -3.393 1.935 3.744 374 HG11 VAL 45 1HG1 VAL 45 -4.258 4.231 3.900 375 HG12 VAL 45 2HG1 VAL 45 -3.010 4.614 5.087 376 HG13 VAL 45 3HG1 VAL 45 -4.257 3.425 5.469 377 HG21 VAL 45 3HG2 VAL 45 -2.581 3.682 2.209 378 HG22 VAL 45 1HG2 VAL 45 -1.368 2.438 2.509 379 HG23 VAL 45 2HG2 VAL 45 -1.241 4.002 3.308 380 H ILE 46 H ILE 46 -2.859 -0.181 5.516 381 HA ILE 46 HA ILE 46 -4.703 0.417 7.584 382 HB ILE 46 HB ILE 46 -3.648 -2.207 6.545 383 HG12 ILE 46 2HG1 ILE 46 -6.348 -0.855 6.332 384 HG13 ILE 46 1HG1 ILE 46 -5.124 -0.894 5.066 385 HG21 ILE 46 1HG2 ILE 46 -5.430 -3.305 7.850 386 HG22 ILE 46 2HG2 ILE 46 -5.764 -1.771 8.650 387 HG23 ILE 46 3HG2 ILE 46 -4.205 -2.562 8.876 388 HD11 ILE 46 3HD1 ILE 46 -6.555 -3.285 6.206 389 HD12 ILE 46 1HD1 ILE 46 -5.341 -3.318 4.926 390 HD13 ILE 46 2HD1 ILE 46 -6.889 -2.514 4.656 391 H HIS 47 H HIS 47 -1.454 -1.026 7.630 392 HA HIS 47 HA HIS 47 -1.563 -1.425 10.488 393 HD1 HIS 47 HD1 HIS 47 -1.505 -3.774 10.852 394 HD2 HIS 47 HD2 HIS 47 0.576 -4.074 7.259 395 HE1 HIS 47 HE1 HIS 47 -2.006 -6.070 9.968 396 HE2 HIS 47 HE2 HIS 47 -0.667 -6.265 7.842 397 HB2 HIS 47 2HB HIS 47 0.723 -1.708 8.534 398 HB3 HIS 47 1HB HIS 47 0.851 -2.062 10.251 399 H GLY 48 H GLY 48 -0.908 1.204 8.481 400 HA2 GLY 48 2HA GLY 48 -0.678 3.387 9.304 401 HA3 GLY 48 1HA GLY 48 -0.094 2.732 10.824 402 H LEU 49 H LEU 49 1.293 1.515 7.925 403 HA LEU 49 HA LEU 49 3.902 2.451 8.617 404 HG LEU 49 HG LEU 49 5.058 2.285 5.743 405 HB2 LEU 49 2HB LEU 49 3.563 0.321 7.476 406 HB3 LEU 49 1HB LEU 49 2.845 1.145 6.108 407 HD11 LEU 49 1HD1 LEU 49 7.031 1.265 6.754 408 HD12 LEU 49 2HD1 LEU 49 5.992 0.243 7.749 409 HD13 LEU 49 3HD1 LEU 49 5.982 1.992 7.972 410 HD21 LEU 49 3HD2 LEU 49 6.093 0.327 4.704 411 HD22 LEU 49 1HD2 LEU 49 4.359 0.397 4.390 412 HD23 LEU 49 2HD2 LEU 49 4.993 -0.722 5.597 413 H ILE 50 H ILE 50 1.514 3.263 6.167 414 HA ILE 50 HA ILE 50 2.788 5.884 5.845 415 HB ILE 50 HB ILE 50 2.401 5.876 3.428 416 HG12 ILE 50 2HG1 ILE 50 1.793 2.926 3.661 417 HG13 ILE 50 1HG1 ILE 50 0.540 4.159 3.546 418 HG21 ILE 50 1HG2 ILE 50 4.601 5.248 4.193 419 HG22 ILE 50 2HG2 ILE 50 4.179 4.302 2.767 420 HG23 ILE 50 3HG2 ILE 50 4.097 3.570 4.371 421 HD11 ILE 50 3HD1 ILE 50 0.990 3.120 1.394 422 HD12 ILE 50 1HD1 ILE 50 2.676 3.633 1.493 423 HD13 ILE 50 2HD1 ILE 50 1.393 4.838 1.377 424 H THR 51 H THR 51 1.268 7.447 4.801 425 HA THR 51 HA THR 51 -1.460 6.942 5.664 426 HB THR 51 HB THR 51 -0.713 9.084 6.333 427 HG1 THR 51 HG1 THR 51 -2.063 10.504 4.943 428 HG21 THR 51 3HG2 THR 51 0.188 10.767 4.789 429 HG22 THR 51 1HG2 THR 51 0.134 9.586 3.483 430 HG23 THR 51 2HG2 THR 51 1.203 9.327 4.858 431 H GLU 52 H GLU 52 -3.249 7.488 4.226 432 HA GLU 52 HA GLU 52 -3.184 5.972 1.883 433 HB2 GLU 52 2HB GLU 52 -5.172 6.743 3.377 434 HB3 GLU 52 1HB GLU 52 -5.191 8.160 2.340 435 HG2 GLU 52 2HG GLU 52 -5.574 6.759 0.394 436 HG3 GLU 52 1HG GLU 52 -5.478 5.317 1.401 437 H ARG 53 H ARG 53 -3.020 9.475 2.391 438 HA ARG 53 HA ARG 53 -2.985 10.162 -0.352 439 HE ARG 53 HE ARG 53 -4.934 13.502 -1.514 440 HB2 ARG 53 2HB ARG 53 -2.900 11.544 2.136 441 HB3 ARG 53 1HB ARG 53 -1.575 12.134 1.140 442 HG2 ARG 53 2HG ARG 53 -4.465 12.010 0.303 443 HG3 ARG 53 1HG ARG 53 -3.616 13.456 0.854 444 HD2 ARG 53 2HD ARG 53 -2.157 13.410 -1.027 445 HD3 ARG 53 1HD ARG 53 -2.727 11.812 -1.503 446 HH11 ARG 53 1HH1 ARG 53 -1.844 13.321 -3.137 447 HH12 ARG 53 2HH1 ARG 53 -2.459 13.910 -4.655 448 HH21 ARG 53 1HH2 ARG 53 -5.757 14.285 -3.522 449 HH22 ARG 53 2HH2 ARG 53 -4.675 14.449 -4.876 450 H GLU 54 H GLU 54 -0.507 9.203 1.893 451 HA GLU 54 HA GLU 54 1.795 9.922 0.465 452 HB2 GLU 54 2HB GLU 54 1.961 9.089 2.732 453 HB3 GLU 54 1HB GLU 54 1.228 7.561 2.274 454 HG2 GLU 54 2HG GLU 54 3.516 7.133 2.539 455 HG3 GLU 54 1HG GLU 54 3.234 7.177 0.801 456 H ALA 55 H ALA 55 -0.188 6.993 0.391 457 HA ALA 55 HA ALA 55 1.271 5.731 -1.696 458 HB1 ALA 55 3HB ALA 55 -1.571 5.248 -0.809 459 HB2 ALA 55 1HB ALA 55 -0.136 4.486 -0.122 460 HB3 ALA 55 2HB ALA 55 -0.592 4.164 -1.795 461 H LEU 56 H LEU 56 -1.780 7.550 -1.657 462 HA LEU 56 HA LEU 56 -2.471 7.249 -4.337 463 HG LEU 56 HG LEU 56 -3.902 7.469 -1.607 464 HB2 LEU 56 2HB LEU 56 -3.020 9.601 -2.525 465 HB3 LEU 56 1HB LEU 56 -3.851 9.265 -4.032 466 HD11 LEU 56 1HD1 LEU 56 -5.991 9.371 -2.653 467 HD12 LEU 56 2HD1 LEU 56 -5.041 9.577 -1.182 468 HD13 LEU 56 3HD1 LEU 56 -6.190 8.245 -1.310 469 HD21 LEU 56 3HD2 LEU 56 -5.717 6.336 -2.798 470 HD22 LEU 56 1HD2 LEU 56 -4.202 6.262 -3.697 471 HD23 LEU 56 2HD2 LEU 56 -5.463 7.395 -4.186 472 H ASP 57 H ASP 57 -0.385 9.680 -2.821 473 HA ASP 57 HA ASP 57 -0.115 11.290 -5.139 474 HB2 ASP 57 2HB ASP 57 1.072 11.198 -2.472 475 HB3 ASP 57 1HB ASP 57 2.207 11.720 -3.713 476 H ARG 58 H ARG 58 2.087 8.872 -3.717 477 HA ARG 58 HA ARG 58 4.071 9.253 -5.696 478 HE ARG 58 HE ARG 58 4.399 7.471 -1.201 479 HB2 ARG 58 2HB ARG 58 5.120 7.240 -4.765 480 HB3 ARG 58 1HB ARG 58 4.641 8.379 -3.520 481 HG2 ARG 58 2HG ARG 58 2.674 7.029 -3.027 482 HG3 ARG 58 1HG ARG 58 3.145 5.883 -4.282 483 HD2 ARG 58 2HD ARG 58 3.784 5.124 -2.032 484 HD3 ARG 58 1HD ARG 58 5.179 5.352 -3.086 485 HH11 ARG 58 1HH1 ARG 58 6.721 5.095 -2.298 486 HH12 ARG 58 2HH1 ARG 58 8.013 5.717 -1.327 487 HH21 ARG 58 1HH2 ARG 58 6.087 8.292 0.088 488 HH22 ARG 58 2HH2 ARG 58 7.655 7.522 0.046 489 H TYR 59 H TYR 59 1.275 7.161 -5.572 490 HA TYR 59 HA TYR 59 2.225 5.753 -7.963 491 HD1 TYR 59 HD2 TYR 59 2.881 3.440 -7.614 492 HD2 TYR 59 HD1 TYR 59 0.689 4.354 -4.088 493 HE1 TYR 59 HE2 TYR 59 4.428 2.057 -6.304 494 HE2 TYR 59 HE1 TYR 59 2.233 2.968 -2.765 495 HH TYR 59 HH TYR 59 5.120 1.549 -4.209 496 HB2 TYR 59 2HB TYR 59 -0.076 5.155 -6.102 497 HB3 TYR 59 1HB TYR 59 0.310 4.214 -7.539 498 H SER 60 H SER 60 0.526 8.462 -7.284 499 HA SER 60 HA SER 60 -0.948 9.783 -8.393 500 HG SER 60 HG SER 60 -1.978 9.733 -10.953 501 HB2 SER 60 2HB SER 60 0.732 9.334 -10.220 502 HB3 SER 60 1HB SER 60 -0.329 8.052 -10.800 503 H LEU 61 H LEU 61 -2.072 7.706 -6.942 504 HA LEU 61 HA LEU 61 -4.148 6.497 -8.612 505 HG LEU 61 HG LEU 61 -1.872 4.991 -7.332 506 HB2 LEU 61 2HB LEU 61 -3.418 6.089 -5.713 507 HB3 LEU 61 1HB LEU 61 -4.756 5.288 -6.509 508 HD11 LEU 61 1HD1 LEU 61 -2.254 4.082 -5.098 509 HD12 LEU 61 2HD1 LEU 61 -1.982 2.800 -6.279 510 HD13 LEU 61 3HD1 LEU 61 -3.617 3.145 -5.712 511 HD21 LEU 61 3HD2 LEU 61 -4.355 3.477 -8.122 512 HD22 LEU 61 1HD2 LEU 61 -2.710 3.083 -8.618 513 HD23 LEU 61 2HD2 LEU 61 -3.451 4.594 -9.142 514 H SER 62 H SER 62 -6.356 6.423 -7.671 515 HA SER 62 HA SER 62 -7.085 8.983 -6.418 516 HG SER 62 HG SER 62 -7.647 8.011 -9.649 517 HB2 SER 62 2HB SER 62 -8.852 7.183 -8.101 518 HB3 SER 62 1HB SER 62 -9.238 8.798 -7.509 519 H GLU 63 H GLU 63 -8.926 8.899 -4.950 520 HA GLU 63 HA GLU 63 -8.545 7.078 -2.902 521 HB2 GLU 63 2HB GLU 63 -9.622 9.346 -2.772 522 HB3 GLU 63 1HB GLU 63 -11.080 8.620 -3.441 523 HG2 GLU 63 2HG GLU 63 -11.050 7.019 -1.542 524 HG3 GLU 63 1HG GLU 63 -9.733 7.963 -0.854 525 H GLU 64 H GLU 64 -10.953 7.101 -5.497 526 HA GLU 64 HA GLU 64 -12.566 5.003 -4.628 527 HB2 GLU 64 2HB GLU 64 -13.163 4.720 -7.035 528 HB3 GLU 64 1HB GLU 64 -13.270 6.377 -6.458 529 HG2 GLU 64 2HG GLU 64 -11.215 6.955 -7.541 530 HG3 GLU 64 1HG GLU 64 -10.918 5.271 -7.974 531 H GLU 65 H GLU 65 -9.532 4.902 -6.424 532 HA GLU 65 HA GLU 65 -9.569 2.145 -7.056 533 HB2 GLU 65 2HB GLU 65 -8.102 3.817 -8.153 534 HB3 GLU 65 1HB GLU 65 -7.213 4.007 -6.654 535 HG2 GLU 65 2HG GLU 65 -5.951 2.633 -8.133 536 HG3 GLU 65 1HG GLU 65 -6.531 1.640 -6.801 537 H PHE 66 H PHE 66 -7.900 3.954 -4.488 538 HA PHE 66 HA PHE 66 -6.832 1.735 -3.150 539 HD1 PHE 66 HD1 PHE 66 -7.670 3.303 0.339 540 HD2 PHE 66 HD2 PHE 66 -4.257 2.966 -2.172 541 HE1 PHE 66 HE1 PHE 66 -6.336 2.542 2.259 542 HE2 PHE 66 HE2 PHE 66 -2.920 2.206 -0.257 543 HZ PHE 66 HZ PHE 66 -3.958 1.993 1.959 544 HB2 PHE 66 2HB PHE 66 -6.206 4.183 -2.881 545 HB3 PHE 66 1HB PHE 66 -7.619 4.336 -1.841 546 H ALA 67 H ALA 67 -9.892 3.445 -2.757 547 HA ALA 67 HA ALA 67 -10.908 2.148 -0.524 548 HB1 ALA 67 3HB ALA 67 -13.115 2.758 -1.357 549 HB2 ALA 67 1HB ALA 67 -12.434 3.091 -2.949 550 HB3 ALA 67 2HB ALA 67 -11.977 4.088 -1.567 551 H LEU 68 H LEU 68 -10.850 1.136 -3.891 552 HA LEU 68 HA LEU 68 -12.498 -1.157 -3.561 553 HG LEU 68 HG LEU 68 -12.285 1.016 -5.759 554 HB2 LEU 68 2HB LEU 68 -10.390 -0.550 -5.636 555 HB3 LEU 68 1HB LEU 68 -11.507 -1.897 -5.715 556 HD11 LEU 68 1HD1 LEU 68 -12.223 -1.044 -7.956 557 HD12 LEU 68 2HD1 LEU 68 -11.157 0.350 -7.800 558 HD13 LEU 68 3HD1 LEU 68 -12.880 0.586 -8.094 559 HD21 LEU 68 3HD2 LEU 68 -14.006 -0.358 -4.731 560 HD22 LEU 68 1HD2 LEU 68 -13.946 -1.480 -6.090 561 HD23 LEU 68 2HD2 LEU 68 -14.515 0.170 -6.334 562 H TRP 69 H TRP 69 -8.996 -0.635 -3.572 563 HA TRP 69 HA TRP 69 -8.139 -3.269 -3.320 564 HD1 TRP 69 HD1 TRP 69 -8.086 -1.544 -5.263 565 HE1 TRP 69 HE1 TRP 69 -6.556 -0.641 -7.119 566 HE3 TRP 69 HE3 TRP 69 -3.848 -0.822 -2.514 567 HZ2 TRP 69 HZ2 TRP 69 -3.884 0.244 -7.378 568 HZ3 TRP 69 HZ3 TRP 69 -1.848 0.060 -3.637 569 HH2 TRP 69 HH2 TRP 69 -1.868 0.576 -6.019 570 HB2 TRP 69 2HB TRP 69 -6.927 -0.810 -2.037 571 HB3 TRP 69 1HB TRP 69 -6.114 -2.357 -2.223 572 H ARG 70 H ARG 70 -8.909 -0.968 -0.702 573 HA ARG 70 HA ARG 70 -8.454 -2.879 1.345 574 HE ARG 70 HE ARG 70 -11.353 2.564 1.138 575 HB2 ARG 70 2HB ARG 70 -9.653 -1.250 2.829 576 HB3 ARG 70 1HB ARG 70 -8.259 -0.614 1.977 577 HG2 ARG 70 2HG ARG 70 -9.789 0.421 0.330 578 HG3 ARG 70 1HG ARG 70 -11.153 -0.143 1.304 579 HD2 ARG 70 2HD ARG 70 -10.512 1.194 3.141 580 HD3 ARG 70 1HD ARG 70 -8.934 1.520 2.438 581 HH11 ARG 70 1HH1 ARG 70 -8.424 3.066 2.948 582 HH12 ARG 70 2HH1 ARG 70 -8.275 4.751 2.532 583 HH21 ARG 70 1HH2 ARG 70 -11.150 4.801 0.538 584 HH22 ARG 70 2HH2 ARG 70 -9.790 5.712 1.125 585 H SER 71 H SER 71 -11.284 -2.023 -0.525 586 HA SER 71 HA SER 71 -13.182 -3.363 1.086 587 HG SER 71 HG SER 71 -13.262 -0.896 -0.776 588 HB2 SER 71 2HB SER 71 -13.210 -2.803 -1.889 589 HB3 SER 71 1HB SER 71 -14.595 -3.386 -0.967 590 H ALA 72 H ALA 72 -10.945 -4.451 -1.377 591 HA ALA 72 HA ALA 72 -12.100 -7.112 -1.453 592 HB1 ALA 72 3HB ALA 72 -11.212 -6.114 -3.494 593 HB2 ALA 72 1HB ALA 72 -10.358 -7.602 -3.082 594 HB3 ALA 72 2HB ALA 72 -9.608 -6.037 -2.765 595 H VAL 73 H VAL 73 -9.077 -5.620 -0.302 596 HA VAL 73 HA VAL 73 -7.975 -8.150 0.483 597 HB VAL 73 HB VAL 73 -6.990 -5.354 1.066 598 HG11 VAL 73 1HG1 VAL 73 -6.105 -6.972 2.672 599 HG12 VAL 73 2HG1 VAL 73 -4.842 -6.412 1.577 600 HG13 VAL 73 3HG1 VAL 73 -5.568 -8.003 1.345 601 HG21 VAL 73 3HG2 VAL 73 -7.059 -5.850 -1.319 602 HG22 VAL 73 1HG2 VAL 73 -6.158 -7.341 -1.047 603 HG23 VAL 73 2HG2 VAL 73 -5.392 -5.783 -0.744 604 H ALA 74 H ALA 74 -9.308 -5.367 2.289 605 HA ALA 74 HA ALA 74 -8.665 -6.487 4.826 606 HB1 ALA 74 3HB ALA 74 -8.980 -4.079 4.514 607 HB2 ALA 74 1HB ALA 74 -10.035 -4.722 5.772 608 HB3 ALA 74 2HB ALA 74 -10.690 -4.353 4.177 609 H ALA 75 H ALA 75 -11.624 -6.369 2.892 610 HA ALA 75 HA ALA 75 -13.126 -7.890 4.841 611 HB1 ALA 75 3HB ALA 75 -14.201 -6.114 3.534 612 HB2 ALA 75 1HB ALA 75 -14.977 -7.675 3.273 613 HB3 ALA 75 2HB ALA 75 -13.885 -7.020 2.054 614 H HIS 76 H HIS 76 -10.745 -8.860 3.025 615 HA HIS 76 HA HIS 76 -11.826 -11.056 1.557 616 HD1 HIS 76 HD1 HIS 76 -8.225 -13.130 2.220 617 HD2 HIS 76 HD2 HIS 76 -10.240 -11.588 -1.077 618 HE1 HIS 76 HE1 HIS 76 -7.882 -14.800 0.368 619 HE2 HIS 76 HE2 HIS 76 -8.929 -13.742 -1.667 620 HB2 HIS 76 2HB HIS 76 -9.599 -9.892 1.151 621 HB3 HIS 76 1HB HIS 76 -8.990 -10.753 2.555 622 H GLY 77 H GLY 77 -12.955 -12.514 2.698 623 HA2 GLY 77 2HA GLY 77 -13.249 -14.351 4.072 624 HA3 GLY 77 1HA GLY 77 -11.577 -14.182 4.591 625 H GLU 78 H GLU 78 -14.173 -11.791 4.761 626 HA GLU 78 HA GLU 78 -13.505 -11.035 7.412 627 HB2 GLU 78 2HB GLU 78 -15.496 -9.610 7.299 628 HB3 GLU 78 1HB GLU 78 -14.532 -9.470 5.834 629 HG2 GLU 78 2HG GLU 78 -16.059 -10.858 4.621 630 HG3 GLU 78 1HG GLU 78 -16.964 -11.222 6.089 631 H LYS 79 H LYS 79 -15.412 -13.545 6.164 632 HA LYS 79 HA LYS 79 -17.277 -13.715 8.341 633 HB2 LYS 79 2HB LYS 79 -17.969 -15.832 7.259 634 HB3 LYS 79 1HB LYS 79 -17.966 -14.466 6.153 635 HG2 LYS 79 2HG LYS 79 -15.822 -15.207 5.240 636 HG3 LYS 79 1HG LYS 79 -15.824 -16.577 6.352 637 HD2 LYS 79 2HD LYS 79 -17.859 -16.038 4.187 638 HD3 LYS 79 1HD LYS 79 -16.578 -17.251 4.135 639 HE2 LYS 79 2HE LYS 79 -17.574 -18.351 6.099 640 HE3 LYS 79 1HE LYS 79 -18.876 -17.164 6.083 641 HZ1 LYS 79 3HZ LYS 79 -19.603 -19.157 5.005 642 HZ2 LYS 79 1HZ LYS 79 -18.266 -19.143 3.960 643 HZ3 LYS 79 2HZ LYS 79 -19.451 -17.939 3.833 644 H ALA 80 H ALA 80 -14.054 -14.582 7.992 645 HA ALA 80 HA ALA 80 -14.302 -16.761 9.958 646 HB1 ALA 80 3HB ALA 80 -11.983 -16.132 8.135 647 HB2 ALA 80 1HB ALA 80 -13.192 -17.386 7.859 648 HB3 ALA 80 2HB ALA 80 -12.101 -17.503 9.239 649 H LEU 81 H LEU 81 -14.324 -15.671 11.882 650 HA LEU 81 HA LEU 81 -12.268 -13.638 12.318 651 HG LEU 81 HG LEU 81 -13.943 -11.874 12.312 652 HB2 LEU 81 2HB LEU 81 -14.761 -14.319 13.863 653 HB3 LEU 81 1HB LEU 81 -13.544 -13.218 14.470 654 HD11 LEU 81 1HD1 LEU 81 -16.496 -13.476 12.347 655 HD12 LEU 81 2HD1 LEU 81 -15.215 -13.630 11.145 656 HD13 LEU 81 3HD1 LEU 81 -16.116 -12.121 11.284 657 HD21 LEU 81 3HD2 LEU 81 -15.873 -10.728 13.317 658 HD22 LEU 81 1HD2 LEU 81 -14.613 -11.090 14.497 659 HD23 LEU 81 2HD2 LEU 81 -16.071 -12.080 14.434 660 H LYS 82 H LYS 82 -10.515 -15.084 12.529 661 HA LYS 82 HA LYS 82 -10.441 -16.739 14.914 662 HB2 LYS 82 2HB LYS 82 -9.243 -17.330 12.743 663 HB3 LYS 82 1HB LYS 82 -8.128 -16.021 13.103 664 HG2 LYS 82 2HG LYS 82 -7.146 -18.095 13.795 665 HG3 LYS 82 1HG LYS 82 -7.551 -17.152 15.229 666 HD2 LYS 82 2HD LYS 82 -9.676 -18.465 15.395 667 HD3 LYS 82 1HD LYS 82 -9.075 -19.487 14.089 668 HE2 LYS 82 2HE LYS 82 -7.746 -19.073 16.767 669 HE3 LYS 82 1HE LYS 82 -8.666 -20.493 16.281 670 HZ1 LYS 82 3HZ LYS 82 -6.086 -19.555 15.149 671 HZ2 LYS 82 1HZ LYS 82 -7.014 -20.805 14.468 672 HZ3 LYS 82 2HZ LYS 82 -6.372 -20.976 16.027 673 H VAL 83 H VAL 83 -8.700 -16.322 16.554 674 HA VAL 83 HA VAL 83 -9.006 -13.938 17.827 675 HB VAL 83 HB VAL 83 -8.048 -15.860 18.923 676 HG11 VAL 83 1HG1 VAL 83 -5.715 -16.525 18.591 677 HG12 VAL 83 2HG1 VAL 83 -5.575 -15.357 17.277 678 HG13 VAL 83 3HG1 VAL 83 -6.673 -16.729 17.124 679 HG21 VAL 83 3HG2 VAL 83 -6.154 -13.514 18.995 680 HG22 VAL 83 1HG2 VAL 83 -6.280 -14.773 20.223 681 HG23 VAL 83 2HG2 VAL 83 -7.637 -13.685 19.933 682 H THR 84 H THR 84 -6.491 -14.660 15.441 683 HA THR 84 HA THR 84 -5.181 -12.126 15.814 684 HB THR 84 HB THR 84 -4.774 -14.069 13.545 685 HG1 THR 84 HG1 THR 84 -3.937 -14.149 16.258 686 HG21 THR 84 3HG2 THR 84 -2.907 -12.112 14.900 687 HG22 THR 84 1HG2 THR 84 -3.654 -11.893 13.317 688 HG23 THR 84 2HG2 THR 84 -2.484 -13.188 13.571 689 H MET 85 H MET 85 -7.857 -13.224 14.034 690 HA MET 85 HA MET 85 -7.537 -11.606 11.694 691 HB2 MET 85 2HB MET 85 -8.946 -13.747 11.939 692 HB3 MET 85 1HB MET 85 -10.148 -12.718 12.709 693 HG2 MET 85 2HG MET 85 -10.743 -12.960 10.420 694 HG3 MET 85 1HG MET 85 -10.178 -11.309 10.665 695 HE1 MET 85 3HE MET 85 -8.077 -14.645 10.317 696 HE2 MET 85 1HE MET 85 -7.730 -14.631 8.588 697 HE3 MET 85 2HE MET 85 -9.389 -14.832 9.152 698 H ILE 86 H ILE 86 -8.814 -11.109 14.863 699 HA ILE 86 HA ILE 86 -10.580 -8.992 14.332 700 HB ILE 86 HB ILE 86 -9.043 -9.694 16.832 701 HG12 ILE 86 2HG1 ILE 86 -11.593 -10.081 17.488 702 HG13 ILE 86 1HG1 ILE 86 -11.757 -10.268 15.743 703 HG21 ILE 86 1HG2 ILE 86 -10.516 -8.151 18.048 704 HG22 ILE 86 2HG2 ILE 86 -11.171 -7.585 16.512 705 HG23 ILE 86 3HG2 ILE 86 -9.475 -7.308 16.901 706 HD11 ILE 86 3HD1 ILE 86 -9.947 -11.865 17.531 707 HD12 ILE 86 1HD1 ILE 86 -10.081 -12.042 15.782 708 HD13 ILE 86 2HD1 ILE 86 -11.465 -12.409 16.815 709 H GLN 87 H GLN 87 -7.139 -9.130 14.409 710 HA GLN 87 HA GLN 87 -6.484 -6.485 14.999 711 HB2 GLN 87 2HB GLN 87 -4.823 -8.276 14.848 712 HB3 GLN 87 1HB GLN 87 -5.087 -8.387 13.113 713 HG2 GLN 87 2HG GLN 87 -4.221 -6.150 12.803 714 HG3 GLN 87 1HG GLN 87 -4.039 -5.955 14.546 715 HE21 GLN 87 1HE2 GLN 87 -3.079 -8.653 14.973 716 HE22 GLN 87 2HE2 GLN 87 -1.460 -8.708 14.355 717 H LYS 88 H LYS 88 -7.415 -7.963 11.896 718 HA LYS 88 HA LYS 88 -6.818 -5.611 10.388 719 HB2 LYS 88 2HB LYS 88 -7.850 -6.703 8.506 720 HB3 LYS 88 1HB LYS 88 -6.877 -7.882 9.370 721 HG2 LYS 88 2HG LYS 88 -8.770 -8.954 10.256 722 HG3 LYS 88 1HG LYS 88 -9.834 -7.620 9.813 723 HD2 LYS 88 2HD LYS 88 -10.121 -9.537 8.317 724 HD3 LYS 88 1HD LYS 88 -9.512 -8.127 7.450 725 HE2 LYS 88 2HE LYS 88 -7.276 -9.035 7.462 726 HE3 LYS 88 1HE LYS 88 -7.796 -10.393 8.458 727 HZ1 LYS 88 3HZ LYS 88 -7.612 -11.037 6.148 728 HZ2 LYS 88 1HZ LYS 88 -8.706 -9.828 5.687 729 HZ3 LYS 88 2HZ LYS 88 -9.228 -11.120 6.646 730 H TYR 89 H TYR 89 -9.348 -6.408 12.463 731 HA TYR 89 HA TYR 89 -11.245 -4.637 11.116 732 HD1 TYR 89 HD2 TYR 89 -12.532 -6.061 9.970 733 HD2 TYR 89 HD1 TYR 89 -11.994 -8.596 13.338 734 HE1 TYR 89 HE2 TYR 89 -12.970 -8.023 8.556 735 HE2 TYR 89 HE1 TYR 89 -12.422 -10.568 11.935 736 HH TYR 89 HH TYR 89 -13.642 -11.058 9.774 737 HB2 TYR 89 2HB TYR 89 -11.629 -6.343 13.587 738 HB3 TYR 89 1HB TYR 89 -12.886 -5.447 12.748 739 H ARG 90 H ARG 90 -9.355 -4.917 14.078 740 HA ARG 90 HA ARG 90 -10.553 -2.518 15.195 741 HE ARG 90 HE ARG 90 -12.896 -3.935 15.875 742 HB2 ARG 90 2HB ARG 90 -8.433 -4.395 16.235 743 HB3 ARG 90 1HB ARG 90 -9.000 -2.982 17.111 744 HG2 ARG 90 2HG ARG 90 -10.781 -5.244 16.239 745 HG3 ARG 90 1HG ARG 90 -10.017 -5.139 17.821 746 HD2 ARG 90 2HD ARG 90 -12.149 -4.285 18.188 747 HD3 ARG 90 1HD ARG 90 -11.152 -2.846 18.001 748 HH11 ARG 90 1HH1 ARG 90 -11.380 -1.232 17.532 749 HH12 ARG 90 2HH1 ARG 90 -12.212 -0.029 16.580 750 HH21 ARG 90 1HH2 ARG 90 -14.024 -2.355 14.678 751 HH22 ARG 90 2HH2 ARG 90 -13.748 -0.667 14.992 752 H GLN 91 H GLN 91 -7.606 -3.447 13.569 753 HA GLN 91 HA GLN 91 -6.255 -0.972 14.264 754 HB2 GLN 91 2HB GLN 91 -5.062 -3.179 13.964 755 HB3 GLN 91 1HB GLN 91 -5.430 -3.073 12.249 756 HG2 GLN 91 2HG GLN 91 -4.125 -1.020 12.090 757 HG3 GLN 91 1HG GLN 91 -3.756 -1.117 13.813 758 HE21 GLN 91 1HE2 GLN 91 -1.537 -1.275 13.490 759 HE22 GLN 91 2HE2 GLN 91 -0.801 -2.707 12.841 760 H LEU 92 H LEU 92 -8.530 -2.012 12.087 761 HA LEU 92 HA LEU 92 -7.810 -0.486 9.797 762 HG LEU 92 HG LEU 92 -9.687 -0.410 8.060 763 HB2 LEU 92 2HB LEU 92 -9.228 -2.470 9.652 764 HB3 LEU 92 1HB LEU 92 -10.442 -1.700 10.650 765 HD11 LEU 92 1HD1 LEU 92 -10.014 -2.756 7.477 766 HD12 LEU 92 2HD1 LEU 92 -11.366 -1.779 6.906 767 HD13 LEU 92 3HD1 LEU 92 -11.545 -2.771 8.353 768 HD21 LEU 92 3HD2 LEU 92 -11.223 0.718 9.601 769 HD22 LEU 92 1HD2 LEU 92 -12.283 -0.689 9.574 770 HD23 LEU 92 2HD2 LEU 92 -12.035 0.254 8.105 771 H HIS 93 H HIS 93 -7.844 1.634 9.703 772 HA HIS 93 HA HIS 93 -9.835 3.119 11.244 773 HD1 HIS 93 HD1 HIS 93 -5.705 3.116 11.588 774 HD2 HIS 93 HD2 HIS 93 -6.928 4.415 7.821 775 HE1 HIS 93 HE1 HIS 93 -3.724 2.787 10.080 776 HE2 HIS 93 HE2 HIS 93 -4.480 3.548 7.808 777 HB2 HIS 93 2HB HIS 93 -8.442 5.117 10.166 778 HB3 HIS 93 1HB HIS 93 -7.918 4.307 11.634 779 H HIS 94 H HIS 94 -11.507 4.119 10.314 780 HA HIS 94 HA HIS 94 -12.190 3.098 7.711 781 HD1 HIS 94 HD1 HIS 94 -15.079 6.214 7.946 782 HD2 HIS 94 HD2 HIS 94 -15.270 2.109 7.269 783 HE1 HIS 94 HE1 HIS 94 -16.894 5.887 6.231 784 HE2 HIS 94 HE2 HIS 94 -17.112 3.389 5.972 785 HB2 HIS 94 2HB HIS 94 -13.833 3.082 9.518 786 HB3 HIS 94 1HB HIS 94 -13.745 4.834 9.641 787 H HIS 95 H HIS 95 -12.378 4.148 5.833 788 HA HIS 95 HA HIS 95 -12.499 7.053 5.793 789 HD1 HIS 95 HD1 HIS 95 -10.368 9.066 5.343 790 HD2 HIS 95 HD2 HIS 95 -10.860 6.993 1.778 791 HE1 HIS 95 HE1 HIS 95 -10.219 10.802 3.528 792 HE2 HIS 95 HE2 HIS 95 -10.733 9.546 1.397 793 HB2 HIS 95 2HB HIS 95 -10.088 6.458 5.520 794 HB3 HIS 95 1HB HIS 95 -10.513 5.521 4.091 Start of MODEL 16 1 HA MET 1 HA MET 1 18.529 20.510 10.398 2 H1 MET 1 1H MET 1 19.195 19.003 8.616 3 H2 MET 1 2H MET 1 20.499 19.892 9.228 4 H3 MET 1 3H MET 1 19.817 20.313 7.739 5 HB2 MET 1 2HB MET 1 19.493 22.578 8.419 6 HB3 MET 1 1HB MET 1 18.426 22.952 9.763 7 HG2 MET 1 2HG MET 1 20.159 22.144 11.321 8 HG3 MET 1 1HG MET 1 21.233 21.880 9.945 9 HE1 MET 1 3HE MET 1 21.964 23.695 12.499 10 HE2 MET 1 1HE MET 1 22.750 25.058 11.703 11 HE3 MET 1 2HE MET 1 23.065 23.412 11.151 12 H TYR 2 H TYR 2 18.027 19.911 7.094 13 HA TYR 2 HA TYR 2 15.407 21.214 7.076 14 HD1 TYR 2 HD2 TYR 2 15.645 23.241 5.667 15 HD2 TYR 2 HD1 TYR 2 18.821 20.794 4.240 16 HE1 TYR 2 HE2 TYR 2 17.022 25.248 5.305 17 HE2 TYR 2 HE1 TYR 2 20.207 22.790 3.882 18 HH TYR 2 HH TYR 2 19.375 25.860 5.132 19 HB2 TYR 2 2HB TYR 2 16.841 19.792 4.824 20 HB3 TYR 2 1HB TYR 2 15.373 20.754 4.684 21 H LEU 3 H LEU 3 13.730 20.089 7.750 22 HA LEU 3 HA LEU 3 13.883 17.211 7.937 23 HG LEU 3 HG LEU 3 12.187 18.098 11.057 24 HB2 LEU 3 2HB LEU 3 11.945 19.272 8.892 25 HB3 LEU 3 1HB LEU 3 11.454 17.591 8.825 26 HD11 LEU 3 1HD1 LEU 3 13.970 16.449 11.338 27 HD12 LEU 3 2HD1 LEU 3 14.270 16.476 9.601 28 HD13 LEU 3 3HD1 LEU 3 12.728 15.882 10.220 29 HD21 LEU 3 3HD2 LEU 3 13.598 20.029 10.563 30 HD22 LEU 3 1HD2 LEU 3 14.804 18.968 9.838 31 HD23 LEU 3 2HD2 LEU 3 14.450 18.850 11.563 32 H LYS 4 H LYS 4 14.090 17.540 5.415 33 HA LYS 4 HA LYS 4 11.523 17.377 4.086 34 HB2 LYS 4 2HB LYS 4 13.375 18.379 2.873 35 HB3 LYS 4 1HB LYS 4 14.357 16.942 3.112 36 HG2 LYS 4 2HG LYS 4 12.834 15.659 1.698 37 HG3 LYS 4 1HG LYS 4 11.836 17.096 1.466 38 HD2 LYS 4 2HD LYS 4 14.753 16.948 0.721 39 HD3 LYS 4 1HD LYS 4 13.435 16.604 -0.401 40 HE2 LYS 4 2HE LYS 4 13.755 19.199 1.098 41 HE3 LYS 4 1HE LYS 4 14.330 18.929 -0.547 42 HZ1 LYS 4 3HZ LYS 4 12.020 18.409 -1.180 43 HZ2 LYS 4 1HZ LYS 4 12.204 19.997 -0.611 44 HZ3 LYS 4 2HZ LYS 4 11.508 18.815 0.385 45 H ARG 5 H ARG 5 13.997 15.303 5.368 46 HA ARG 5 HA ARG 5 12.784 12.917 4.280 47 HE ARG 5 HE ARG 5 17.085 13.085 6.317 48 HB2 ARG 5 2HB ARG 5 15.131 13.313 6.125 49 HB3 ARG 5 1HB ARG 5 14.561 11.739 5.571 50 HG2 ARG 5 2HG ARG 5 15.024 12.247 3.331 51 HG3 ARG 5 1HG ARG 5 15.276 13.946 3.700 52 HD2 ARG 5 2HD ARG 5 17.038 11.598 4.383 53 HD3 ARG 5 1HD ARG 5 17.438 12.994 3.385 54 HH11 ARG 5 1HH1 ARG 5 18.462 14.372 3.372 55 HH12 ARG 5 2HH1 ARG 5 19.616 15.372 4.195 56 HH21 ARG 5 1HH2 ARG 5 18.612 14.407 7.414 57 HH22 ARG 5 2HH2 ARG 5 19.721 15.382 6.488 58 H VAL 6 H VAL 6 10.880 12.773 5.069 59 HA VAL 6 HA VAL 6 10.323 12.931 7.905 60 HB VAL 6 HB VAL 6 8.444 12.012 5.720 61 HG11 VAL 6 1HG1 VAL 6 7.696 11.435 7.952 62 HG12 VAL 6 2HG1 VAL 6 6.695 12.728 7.293 63 HG13 VAL 6 3HG1 VAL 6 7.940 13.097 8.488 64 HG21 VAL 6 3HG2 VAL 6 8.861 14.799 6.794 65 HG22 VAL 6 1HG2 VAL 6 7.602 14.306 5.665 66 HG23 VAL 6 2HG2 VAL 6 9.297 14.230 5.181 67 H ASP 7 H ASP 7 11.553 11.285 8.782 68 HA ASP 7 HA ASP 7 11.079 8.557 7.832 69 HB2 ASP 7 2HB ASP 7 13.426 9.563 8.248 70 HB3 ASP 7 1HB ASP 7 13.061 9.362 9.958 71 H GLY 8 H GLY 8 11.416 7.019 9.993 72 HA2 GLY 8 2HA GLY 8 10.410 7.284 12.398 73 HA3 GLY 8 1HA GLY 8 8.946 7.575 11.468 74 HA PRO 9 HA PRO 9 8.564 3.117 11.694 75 HB2 PRO 9 2HB PRO 9 6.228 2.922 10.337 76 HB3 PRO 9 1HB PRO 9 6.311 3.437 12.027 77 HG2 PRO 9 2HG PRO 9 6.021 5.093 9.554 78 HG3 PRO 9 1HG PRO 9 5.215 5.270 11.124 79 HD2 PRO 9 2HD PRO 9 7.345 6.787 10.351 80 HD3 PRO 9 1HD PRO 9 6.992 6.393 12.043 81 H ARG 10 H ARG 10 10.315 2.581 10.356 82 HA ARG 10 HA ARG 10 10.094 2.865 7.483 83 HE ARG 10 HE ARG 10 14.148 5.489 8.273 84 HB2 ARG 10 2HB ARG 10 12.191 1.601 9.248 85 HB3 ARG 10 1HB ARG 10 12.290 1.613 7.493 86 HG2 ARG 10 2HG ARG 10 12.294 4.059 7.518 87 HG3 ARG 10 1HG ARG 10 12.215 4.033 9.281 88 HD2 ARG 10 2HD ARG 10 14.353 2.895 9.390 89 HD3 ARG 10 1HD ARG 10 14.419 2.804 7.631 90 HH11 ARG 10 1HH1 ARG 10 16.488 2.947 8.897 91 HH12 ARG 10 2HH1 ARG 10 17.845 4.032 8.929 92 HH21 ARG 10 1HH2 ARG 10 15.914 6.898 8.310 93 HH22 ARG 10 2HH2 ARG 10 17.518 6.289 8.587 94 H GLN 11 H GLN 11 9.410 0.498 9.865 95 HA GLN 11 HA GLN 11 8.546 -1.344 7.769 96 HB2 GLN 11 2HB GLN 11 9.493 -3.282 8.974 97 HB3 GLN 11 1HB GLN 11 10.737 -2.189 8.384 98 HG2 GLN 11 2HG GLN 11 11.151 -1.341 10.548 99 HG3 GLN 11 1HG GLN 11 9.702 -2.101 11.201 100 HE21 GLN 11 1HE2 GLN 11 11.856 -3.723 8.981 101 HE22 GLN 11 2HE2 GLN 11 12.479 -4.864 10.123 102 H VAL 12 H VAL 12 6.726 -2.471 8.240 103 HA VAL 12 HA VAL 12 5.698 -2.305 10.992 104 HB VAL 12 HB VAL 12 3.386 -2.315 10.035 105 HG11 VAL 12 1HG1 VAL 12 4.380 -0.266 10.881 106 HG12 VAL 12 2HG1 VAL 12 3.350 0.066 9.487 107 HG13 VAL 12 3HG1 VAL 12 5.105 0.049 9.305 108 HG21 VAL 12 3HG2 VAL 12 3.068 -1.621 7.709 109 HG22 VAL 12 1HG2 VAL 12 3.908 -3.168 7.810 110 HG23 VAL 12 2HG2 VAL 12 4.811 -1.696 7.445 111 H THR 13 H THR 13 4.537 -4.113 11.720 112 HA THR 13 HA THR 13 5.335 -6.565 10.389 113 HB THR 13 HB THR 13 3.872 -6.287 13.018 114 HG1 THR 13 HG1 THR 13 6.682 -6.638 12.682 115 HG21 THR 13 3HG2 THR 13 4.784 -8.511 13.472 116 HG22 THR 13 1HG2 THR 13 5.589 -8.516 11.905 117 HG23 THR 13 2HG2 THR 13 3.828 -8.535 11.989 118 H LEU 14 H LEU 14 4.031 -7.774 9.202 119 HA LEU 14 HA LEU 14 1.223 -7.181 8.934 120 HG LEU 14 HG LEU 14 2.413 -8.522 5.622 121 HB2 LEU 14 2HB LEU 14 2.925 -9.447 7.873 122 HB3 LEU 14 1HB LEU 14 1.221 -9.275 7.524 123 HD11 LEU 14 1HD1 LEU 14 1.543 -6.086 7.155 124 HD12 LEU 14 2HD1 LEU 14 0.484 -7.161 6.242 125 HD13 LEU 14 3HD1 LEU 14 1.718 -6.220 5.403 126 HD21 LEU 14 3HD2 LEU 14 4.572 -8.155 6.758 127 HD22 LEU 14 1HD2 LEU 14 3.945 -6.632 7.388 128 HD23 LEU 14 2HD2 LEU 14 4.133 -6.858 5.649 129 HA PRO 15 HA PRO 15 -0.039 -10.114 12.106 130 HB2 PRO 15 2HB PRO 15 -2.628 -10.427 11.364 131 HB3 PRO 15 1HB PRO 15 -2.054 -8.985 12.207 132 HG2 PRO 15 2HG PRO 15 -2.656 -9.381 9.317 133 HG3 PRO 15 1HG PRO 15 -2.929 -7.958 10.338 134 HD2 PRO 15 2HD PRO 15 -0.836 -8.236 8.570 135 HD3 PRO 15 1HD PRO 15 -0.817 -7.156 9.975 136 H ASP 16 H ASP 16 0.187 -10.465 8.820 137 HA ASP 16 HA ASP 16 -0.516 -13.228 8.522 138 HB2 ASP 16 2HB ASP 16 1.351 -11.596 6.783 139 HB3 ASP 16 1HB ASP 16 0.414 -13.006 6.315 140 H GLY 17 H GLY 17 1.954 -11.552 10.043 141 HA2 GLY 17 2HA GLY 17 3.806 -12.381 11.167 142 HA3 GLY 17 1HA GLY 17 3.584 -13.923 10.356 143 H THR 18 H THR 18 4.086 -10.623 9.168 144 HA THR 18 HA THR 18 6.547 -11.461 7.829 145 HB THR 18 HB THR 18 4.328 -10.080 6.302 146 HG1 THR 18 HG1 THR 18 4.949 -12.859 6.518 147 HG21 THR 18 3HG2 THR 18 6.809 -11.538 5.379 148 HG22 THR 18 1HG2 THR 18 6.579 -9.787 5.384 149 HG23 THR 18 2HG2 THR 18 5.595 -10.804 4.331 150 H VAL 19 H VAL 19 7.670 -9.504 6.847 151 HA VAL 19 HA VAL 19 7.085 -7.089 8.434 152 HB VAL 19 HB VAL 19 9.716 -7.937 7.198 153 HG11 VAL 19 1HG1 VAL 19 10.667 -6.050 8.464 154 HG12 VAL 19 2HG1 VAL 19 9.040 -5.567 8.939 155 HG13 VAL 19 3HG1 VAL 19 9.512 -5.521 7.240 156 HG21 VAL 19 3HG2 VAL 19 10.471 -8.244 9.509 157 HG22 VAL 19 1HG2 VAL 19 9.134 -9.323 9.108 158 HG23 VAL 19 2HG2 VAL 19 8.844 -7.883 10.085 159 H LEU 20 H LEU 20 6.462 -5.319 7.381 160 HA LEU 20 HA LEU 20 6.980 -5.158 4.483 161 HG LEU 20 HG LEU 20 5.153 -2.468 4.356 162 HB2 LEU 20 2HB LEU 20 4.622 -5.390 4.873 163 HB3 LEU 20 1HB LEU 20 4.643 -4.143 6.102 164 HD11 LEU 20 1HD1 LEU 20 6.279 -3.910 2.749 165 HD12 LEU 20 2HD1 LEU 20 4.912 -3.084 1.999 166 HD13 LEU 20 3HD1 LEU 20 4.770 -4.780 2.458 167 HD21 LEU 20 3HD2 LEU 20 2.857 -2.848 5.034 168 HD22 LEU 20 1HD2 LEU 20 2.707 -4.158 3.858 169 HD23 LEU 20 2HD2 LEU 20 2.935 -2.499 3.307 170 H SER 21 H SER 21 8.626 -3.830 4.204 171 HA SER 21 HA SER 21 8.879 -1.488 5.937 172 HG SER 21 HG SER 21 10.642 -3.973 4.007 173 HB2 SER 21 2HB SER 21 11.174 -1.332 4.886 174 HB3 SER 21 1HB SER 21 10.886 -2.771 5.856 175 H ARG 22 H ARG 22 9.590 0.556 4.894 176 HA ARG 22 HA ARG 22 7.739 1.336 2.906 177 HE ARG 22 HE ARG 22 6.965 4.490 6.523 178 HB2 ARG 22 2HB ARG 22 10.178 2.688 4.045 179 HB3 ARG 22 1HB ARG 22 9.135 3.454 2.852 180 HG2 ARG 22 2HG ARG 22 7.257 3.332 4.355 181 HG3 ARG 22 1HG ARG 22 8.225 2.449 5.535 182 HD2 ARG 22 2HD ARG 22 9.615 4.334 5.926 183 HD3 ARG 22 1HD ARG 22 8.918 5.207 4.559 184 HH11 ARG 22 1HH1 ARG 22 9.424 6.855 5.732 185 HH12 ARG 22 2HH1 ARG 22 8.686 8.123 6.656 186 HH21 ARG 22 1HH2 ARG 22 5.986 6.142 7.724 187 HH22 ARG 22 2HH2 ARG 22 6.725 7.720 7.797 188 H ALA 23 H ALA 23 11.001 0.170 2.762 189 HA ALA 23 HA ALA 23 11.390 0.924 0.007 190 HB1 ALA 23 3HB ALA 23 13.002 -0.921 1.761 191 HB2 ALA 23 1HB ALA 23 13.281 0.807 1.558 192 HB3 ALA 23 2HB ALA 23 13.494 -0.286 0.191 193 H ASP 24 H ASP 24 9.644 -1.465 1.545 194 HA ASP 24 HA ASP 24 10.115 -3.498 -0.493 195 HB2 ASP 24 2HB ASP 24 9.866 -3.997 2.007 196 HB3 ASP 24 1HB ASP 24 8.148 -3.683 1.786 197 H LEU 25 H LEU 25 8.135 -0.851 0.032 198 HA LEU 25 HA LEU 25 5.708 -1.611 -1.135 199 HG LEU 25 HG LEU 25 6.156 0.210 1.090 200 HB2 LEU 25 2HB LEU 25 7.178 1.018 -1.062 201 HB3 LEU 25 1HB LEU 25 5.603 0.850 -1.809 202 HD11 LEU 25 1HD1 LEU 25 5.043 2.329 1.585 203 HD12 LEU 25 2HD1 LEU 25 4.961 2.690 -0.138 204 HD13 LEU 25 3HD1 LEU 25 6.527 2.581 0.667 205 HD21 LEU 25 3HD2 LEU 25 3.561 0.641 -0.377 206 HD22 LEU 25 1HD2 LEU 25 3.760 0.196 1.317 207 HD23 LEU 25 2HD2 LEU 25 4.226 -0.935 0.048 208 HA PRO 26 HA PRO 26 6.640 -2.186 -5.418 209 HB2 PRO 26 2HB PRO 26 4.348 -1.259 -6.572 210 HB3 PRO 26 1HB PRO 26 4.449 -2.810 -5.735 211 HG2 PRO 26 2HG PRO 26 3.409 -0.188 -4.751 212 HG3 PRO 26 1HG PRO 26 2.739 -1.816 -4.530 213 HD2 PRO 26 2HD PRO 26 4.158 -0.549 -2.602 214 HD3 PRO 26 1HD PRO 26 4.191 -2.311 -2.806 215 HA PRO 27 HA PRO 27 8.432 1.577 -6.831 216 HB2 PRO 27 2HB PRO 27 8.625 1.056 -9.503 217 HB3 PRO 27 1HB PRO 27 9.689 0.332 -8.291 218 HG2 PRO 27 2HG PRO 27 7.225 -0.809 -9.572 219 HG3 PRO 27 1HG PRO 27 8.802 -1.583 -9.302 220 HD2 PRO 27 2HD PRO 27 6.730 -2.053 -7.678 221 HD3 PRO 27 1HD PRO 27 8.383 -1.915 -7.040 222 H LEU 28 H LEU 28 8.046 3.477 -8.076 223 HA LEU 28 HA LEU 28 5.283 4.151 -8.331 224 HG LEU 28 HG LEU 28 7.901 5.327 -6.880 225 HB2 LEU 28 2HB LEU 28 7.697 5.689 -9.299 226 HB3 LEU 28 1HB LEU 28 6.081 6.333 -9.073 227 HD11 LEU 28 1HD1 LEU 28 7.030 8.123 -7.599 228 HD12 LEU 28 2HD1 LEU 28 8.641 7.445 -7.839 229 HD13 LEU 28 3HD1 LEU 28 8.012 7.670 -6.208 230 HD21 LEU 28 3HD2 LEU 28 5.544 4.927 -6.375 231 HD22 LEU 28 1HD2 LEU 28 5.180 6.618 -6.716 232 HD23 LEU 28 2HD2 LEU 28 6.212 6.199 -5.350 233 H ASP 29 H ASP 29 7.431 2.613 -10.376 234 HA ASP 29 HA ASP 29 6.342 3.498 -12.885 235 HB2 ASP 29 2HB ASP 29 8.663 2.692 -12.734 236 HB3 ASP 29 1HB ASP 29 8.089 1.113 -12.212 237 H THR 30 H THR 30 5.112 1.699 -10.453 238 HA THR 30 HA THR 30 3.938 -0.393 -12.057 239 HB THR 30 HB THR 30 3.560 0.243 -9.130 240 HG1 THR 30 HG1 THR 30 5.597 -0.465 -9.304 241 HG21 THR 30 3HG2 THR 30 2.782 -2.187 -10.744 242 HG22 THR 30 1HG2 THR 30 1.674 -1.025 -10.015 243 HG23 THR 30 2HG2 THR 30 2.675 -2.051 -8.988 244 H ARG 31 H ARG 31 2.633 0.865 -13.486 245 HA ARG 31 HA ARG 31 0.077 1.613 -12.249 246 HE ARG 31 HE ARG 31 -1.850 3.039 -13.912 247 HB2 ARG 31 2HB ARG 31 1.141 1.833 -15.062 248 HB3 ARG 31 1HB ARG 31 -0.571 2.013 -14.709 249 HG2 ARG 31 2HG ARG 31 1.661 3.715 -13.621 250 HG3 ARG 31 1HG ARG 31 0.497 4.176 -14.867 251 HD2 ARG 31 2HD ARG 31 -0.039 3.603 -11.956 252 HD3 ARG 31 1HD ARG 31 -0.235 5.136 -12.808 253 HH11 ARG 31 1HH1 ARG 31 -1.699 5.521 -11.443 254 HH12 ARG 31 2HH1 ARG 31 -3.419 5.547 -11.180 255 HH21 ARG 31 1HH2 ARG 31 -4.104 3.064 -13.573 256 HH22 ARG 31 2HH2 ARG 31 -4.788 4.162 -12.409 257 H ARG 32 H ARG 32 1.764 -0.786 -14.004 258 HA ARG 32 HA ARG 32 -0.371 -2.615 -14.426 259 HE ARG 32 HE ARG 32 5.358 -1.621 -14.658 260 HB2 ARG 32 2HB ARG 32 1.611 -4.273 -14.484 261 HB3 ARG 32 1HB ARG 32 1.558 -3.013 -15.714 262 HG2 ARG 32 2HG ARG 32 3.096 -1.661 -14.267 263 HG3 ARG 32 1HG ARG 32 3.256 -3.078 -13.229 264 HD2 ARG 32 2HD ARG 32 4.315 -4.321 -14.915 265 HD3 ARG 32 1HD ARG 32 3.831 -3.183 -16.176 266 HH11 ARG 32 1HH1 ARG 32 5.900 -4.895 -15.767 267 HH12 ARG 32 2HH1 ARG 32 7.626 -4.706 -15.885 268 HH21 ARG 32 1HH2 ARG 32 7.633 -1.364 -14.777 269 HH22 ARG 32 2HH2 ARG 32 8.612 -2.715 -15.281 270 H TRP 33 H TRP 33 -1.342 -2.173 -12.296 271 HA TRP 33 HA TRP 33 -0.028 -3.056 -9.911 272 HD1 TRP 33 HD1 TRP 33 -2.278 0.363 -11.043 273 HE1 TRP 33 HE1 TRP 33 -1.056 2.236 -9.769 274 HE3 TRP 33 HE3 TRP 33 -0.296 -2.407 -7.233 275 HZ2 TRP 33 HZ2 TRP 33 0.529 2.502 -7.451 276 HZ3 TRP 33 HZ3 TRP 33 1.057 -1.267 -5.525 277 HH2 TRP 33 HH2 TRP 33 1.464 1.138 -5.637 278 HB2 TRP 33 2HB TRP 33 -2.822 -2.123 -10.530 279 HB3 TRP 33 1HB TRP 33 -2.376 -2.723 -8.936 280 H VAL 34 H VAL 34 0.374 -5.141 -9.673 281 HA VAL 34 HA VAL 34 -1.649 -7.124 -10.299 282 HB VAL 34 HB VAL 34 0.001 -8.776 -9.473 283 HG11 VAL 34 1HG1 VAL 34 1.073 -6.832 -11.516 284 HG12 VAL 34 2HG1 VAL 34 -0.036 -8.167 -11.825 285 HG13 VAL 34 3HG1 VAL 34 1.614 -8.497 -11.295 286 HG21 VAL 34 3HG2 VAL 34 2.302 -8.031 -9.001 287 HG22 VAL 34 1HG2 VAL 34 1.143 -7.435 -7.813 288 HG23 VAL 34 2HG2 VAL 34 1.757 -6.355 -9.066 289 H ALA 35 H ALA 35 -2.159 -8.765 -8.586 290 HA ALA 35 HA ALA 35 -3.669 -7.526 -6.628 291 HB1 ALA 35 3HB ALA 35 -4.097 -9.774 -7.484 292 HB2 ALA 35 1HB ALA 35 -4.065 -9.742 -5.723 293 HB3 ALA 35 2HB ALA 35 -2.681 -10.371 -6.619 294 H SER 36 H SER 36 -0.516 -9.134 -6.242 295 HA SER 36 HA SER 36 -0.429 -8.844 -3.433 296 HG SER 36 HG SER 36 1.523 -11.463 -4.448 297 HB2 SER 36 2HB SER 36 1.842 -9.225 -5.391 298 HB3 SER 36 1HB SER 36 1.937 -9.470 -3.647 299 H ARG 37 H ARG 37 0.706 -6.756 -6.050 300 HA ARG 37 HA ARG 37 2.194 -5.014 -4.352 301 HE ARG 37 HE ARG 37 5.485 -5.680 -7.714 302 HB2 ARG 37 2HB ARG 37 1.116 -4.638 -7.143 303 HB3 ARG 37 1HB ARG 37 2.074 -3.422 -6.307 304 HG2 ARG 37 2HG ARG 37 3.869 -5.144 -6.035 305 HG3 ARG 37 1HG ARG 37 2.918 -6.198 -7.078 306 HD2 ARG 37 2HD ARG 37 3.087 -4.616 -8.899 307 HD3 ARG 37 1HD ARG 37 3.942 -3.474 -7.859 308 HH11 ARG 37 1HH1 ARG 37 4.220 -3.858 -10.434 309 HH12 ARG 37 2HH1 ARG 37 5.535 -4.286 -11.482 310 HH21 ARG 37 1HH2 ARG 37 7.196 -6.234 -9.094 311 HH22 ARG 37 2HH2 ARG 37 7.219 -5.633 -10.729 312 H LYS 38 H LYS 38 -1.119 -5.049 -5.548 313 HA LYS 38 HA LYS 38 -1.904 -2.583 -4.405 314 HB2 LYS 38 2HB LYS 38 -3.535 -5.066 -4.970 315 HB3 LYS 38 1HB LYS 38 -4.220 -3.528 -4.472 316 HG2 LYS 38 2HG LYS 38 -3.054 -2.560 -6.540 317 HG3 LYS 38 1HG LYS 38 -2.891 -4.241 -7.056 318 HD2 LYS 38 2HD LYS 38 -5.308 -4.537 -6.878 319 HD3 LYS 38 1HD LYS 38 -5.481 -2.873 -6.329 320 HE2 LYS 38 2HE LYS 38 -4.458 -2.147 -8.498 321 HE3 LYS 38 1HE LYS 38 -4.561 -3.822 -9.037 322 HZ1 LYS 38 3HZ LYS 38 -6.453 -2.619 -9.841 323 HZ2 LYS 38 1HZ LYS 38 -6.830 -2.051 -8.291 324 HZ3 LYS 38 2HZ LYS 38 -6.990 -3.701 -8.648 325 H ALA 39 H ALA 39 -1.851 -5.892 -3.180 326 HA ALA 39 HA ALA 39 -3.130 -5.403 -0.722 327 HB1 ALA 39 3HB ALA 39 -2.877 -7.645 -1.647 328 HB2 ALA 39 1HB ALA 39 -2.204 -7.554 -0.021 329 HB3 ALA 39 2HB ALA 39 -1.131 -7.551 -1.420 330 H ALA 40 H ALA 40 0.271 -5.278 -1.673 331 HA ALA 40 HA ALA 40 1.372 -4.946 0.890 332 HB1 ALA 40 3HB ALA 40 3.335 -4.056 -0.255 333 HB2 ALA 40 1HB ALA 40 2.400 -3.886 -1.740 334 HB3 ALA 40 2HB ALA 40 2.717 -5.489 -1.076 335 H VAL 41 H VAL 41 0.170 -2.578 -1.457 336 HA VAL 41 HA VAL 41 1.000 -0.294 0.002 337 HB VAL 41 HB VAL 41 -1.190 -0.534 -2.068 338 HG11 VAL 41 1HG1 VAL 41 0.241 1.917 -1.045 339 HG12 VAL 41 2HG1 VAL 41 -1.432 1.482 -0.701 340 HG13 VAL 41 3HG1 VAL 41 -0.943 1.875 -2.349 341 HG21 VAL 41 3HG2 VAL 41 1.689 0.310 -2.342 342 HG22 VAL 41 1HG2 VAL 41 0.485 0.293 -3.630 343 HG23 VAL 41 2HG2 VAL 41 1.005 -1.221 -2.891 344 H VAL 42 H VAL 42 -2.127 -1.992 -0.209 345 HA VAL 42 HA VAL 42 -3.488 -0.149 1.441 346 HB VAL 42 HB VAL 42 -4.691 -1.676 -0.066 347 HG11 VAL 42 1HG1 VAL 42 -5.091 -4.002 0.573 348 HG12 VAL 42 2HG1 VAL 42 -3.946 -3.827 1.905 349 HG13 VAL 42 3HG1 VAL 42 -3.389 -3.694 0.236 350 HG21 VAL 42 3HG2 VAL 42 -5.470 -1.946 2.831 351 HG22 VAL 42 1HG2 VAL 42 -6.529 -2.234 1.450 352 HG23 VAL 42 2HG2 VAL 42 -5.892 -0.618 1.751 353 H LYS 43 H LYS 43 -1.753 -3.163 2.197 354 HA LYS 43 HA LYS 43 -2.460 -3.143 4.953 355 HB2 LYS 43 2HB LYS 43 -0.094 -4.433 3.577 356 HB3 LYS 43 1HB LYS 43 -0.540 -4.706 5.258 357 HG2 LYS 43 2HG LYS 43 -2.697 -5.636 4.509 358 HG3 LYS 43 1HG LYS 43 -2.193 -5.409 2.833 359 HD2 LYS 43 2HD LYS 43 -0.320 -6.930 3.170 360 HD3 LYS 43 1HD LYS 43 -0.762 -7.127 4.867 361 HE2 LYS 43 2HE LYS 43 -2.956 -8.042 4.115 362 HE3 LYS 43 1HE LYS 43 -2.366 -7.974 2.455 363 HZ1 LYS 43 3HZ LYS 43 -1.302 -9.640 4.677 364 HZ2 LYS 43 1HZ LYS 43 -0.515 -9.452 3.190 365 HZ3 LYS 43 2HZ LYS 43 -2.041 -10.171 3.248 366 H ALA 44 H ALA 44 0.077 -1.634 3.062 367 HA ALA 44 HA ALA 44 1.785 -0.846 5.144 368 HB1 ALA 44 3HB ALA 44 2.400 -0.711 2.768 369 HB2 ALA 44 1HB ALA 44 2.650 0.822 3.600 370 HB3 ALA 44 2HB ALA 44 1.248 0.607 2.554 371 H VAL 45 H VAL 45 -1.011 0.791 3.700 372 HA VAL 45 HA VAL 45 -0.813 3.123 5.316 373 HB VAL 45 HB VAL 45 -3.226 2.006 3.873 374 HG11 VAL 45 1HG1 VAL 45 -3.886 3.608 5.568 375 HG12 VAL 45 2HG1 VAL 45 -4.076 4.314 3.963 376 HG13 VAL 45 3HG1 VAL 45 -2.701 4.767 4.971 377 HG21 VAL 45 3HG2 VAL 45 -1.202 4.064 2.998 378 HG22 VAL 45 1HG2 VAL 45 -2.648 3.594 2.105 379 HG23 VAL 45 2HG2 VAL 45 -1.355 2.423 2.368 380 H ILE 46 H ILE 46 -2.647 0.120 5.580 381 HA ILE 46 HA ILE 46 -4.188 0.972 7.812 382 HB ILE 46 HB ILE 46 -3.704 -1.765 6.642 383 HG12 ILE 46 2HG1 ILE 46 -6.068 0.121 6.523 384 HG13 ILE 46 1HG1 ILE 46 -4.908 -0.148 5.227 385 HG21 ILE 46 1HG2 ILE 46 -4.267 -2.026 8.998 386 HG22 ILE 46 2HG2 ILE 46 -5.606 -2.546 7.973 387 HG23 ILE 46 3HG2 ILE 46 -5.674 -0.983 8.788 388 HD11 ILE 46 3HD1 ILE 46 -6.803 -2.194 6.356 389 HD12 ILE 46 1HD1 ILE 46 -5.644 -2.468 5.056 390 HD13 ILE 46 2HD1 ILE 46 -6.981 -1.338 4.824 391 H HIS 47 H HIS 47 -1.068 -0.593 7.503 392 HA HIS 47 HA HIS 47 -1.027 -1.227 10.344 393 HD1 HIS 47 HD1 HIS 47 -1.111 -3.515 10.760 394 HD2 HIS 47 HD2 HIS 47 0.399 -4.004 6.911 395 HE1 HIS 47 HE1 HIS 47 -2.068 -5.682 9.925 396 HE2 HIS 47 HE2 HIS 47 -1.204 -5.934 7.569 397 HB2 HIS 47 2HB HIS 47 1.009 -1.688 8.166 398 HB3 HIS 47 1HB HIS 47 1.292 -2.081 9.860 399 H GLY 48 H GLY 48 -0.454 1.471 8.521 400 HA2 GLY 48 2HA GLY 48 0.154 3.547 9.371 401 HA3 GLY 48 1HA GLY 48 0.757 2.751 10.816 402 H LEU 49 H LEU 49 1.766 1.698 7.672 403 HA LEU 49 HA LEU 49 4.516 2.384 8.240 404 HG LEU 49 HG LEU 49 5.542 2.129 5.381 405 HB2 LEU 49 2HB LEU 49 3.874 0.288 7.091 406 HB3 LEU 49 1HB LEU 49 3.236 1.230 5.757 407 HD11 LEU 49 1HD1 LEU 49 7.419 0.942 6.376 408 HD12 LEU 49 2HD1 LEU 49 6.306 -0.017 7.351 409 HD13 LEU 49 3HD1 LEU 49 6.433 1.723 7.614 410 HD21 LEU 49 3HD2 LEU 49 6.374 0.077 4.318 411 HD22 LEU 49 1HD2 LEU 49 4.658 0.341 4.009 412 HD23 LEU 49 2HD2 LEU 49 5.164 -0.853 5.203 413 H ILE 50 H ILE 50 2.066 3.240 5.861 414 HA ILE 50 HA ILE 50 3.345 5.867 5.541 415 HB ILE 50 HB ILE 50 2.703 5.926 3.184 416 HG12 ILE 50 2HG1 ILE 50 1.929 3.016 3.411 417 HG13 ILE 50 1HG1 ILE 50 0.753 4.325 3.499 418 HG21 ILE 50 1HG2 ILE 50 4.281 4.254 2.285 419 HG22 ILE 50 2HG2 ILE 50 4.333 3.480 3.869 420 HG23 ILE 50 3HG2 ILE 50 4.935 5.127 3.672 421 HD11 ILE 50 3HD1 ILE 50 0.892 3.305 1.275 422 HD12 ILE 50 1HD1 ILE 50 2.582 3.803 1.168 423 HD13 ILE 50 2HD1 ILE 50 1.307 5.019 1.260 424 H THR 51 H THR 51 1.537 7.294 4.291 425 HA THR 51 HA THR 51 -0.930 6.859 5.811 426 HB THR 51 HB THR 51 -0.016 8.947 6.442 427 HG1 THR 51 HG1 THR 51 -1.857 9.942 6.239 428 HG21 THR 51 3HG2 THR 51 0.221 9.648 3.518 429 HG22 THR 51 1HG2 THR 51 1.554 9.285 4.611 430 HG23 THR 51 2HG2 THR 51 0.572 10.728 4.866 431 H GLU 52 H GLU 52 -2.943 7.486 4.782 432 HA GLU 52 HA GLU 52 -3.312 6.056 2.393 433 HB2 GLU 52 2HB GLU 52 -4.926 6.668 4.372 434 HB3 GLU 52 1HB GLU 52 -5.292 8.074 3.384 435 HG2 GLU 52 2HG GLU 52 -6.204 6.783 1.673 436 HG3 GLU 52 1HG GLU 52 -5.464 5.300 2.277 437 H ARG 53 H ARG 53 -3.072 9.473 3.109 438 HA ARG 53 HA ARG 53 -3.710 10.494 0.561 439 HE ARG 53 HE ARG 53 -2.756 15.338 0.240 440 HB2 ARG 53 2HB ARG 53 -3.339 11.629 2.940 441 HB3 ARG 53 1HB ARG 53 -1.711 11.854 2.321 442 HG2 ARG 53 2HG ARG 53 -4.229 12.866 1.015 443 HG3 ARG 53 1HG ARG 53 -3.122 13.826 1.996 444 HD2 ARG 53 2HD ARG 53 -1.324 13.153 0.330 445 HD3 ARG 53 1HD ARG 53 -2.636 12.570 -0.690 446 HH11 ARG 53 1HH1 ARG 53 -2.229 13.068 -2.358 447 HH12 ARG 53 2HH1 ARG 53 -2.213 14.285 -3.596 448 HH21 ARG 53 1HH2 ARG 53 -2.740 16.950 -1.389 449 HH22 ARG 53 2HH2 ARG 53 -2.485 16.491 -3.044 450 H GLU 54 H GLU 54 -0.751 9.374 2.054 451 HA GLU 54 HA GLU 54 1.125 10.118 0.117 452 HB2 GLU 54 2HB GLU 54 1.918 9.367 2.225 453 HB3 GLU 54 1HB GLU 54 1.010 7.869 2.121 454 HG2 GLU 54 2HG GLU 54 3.255 7.291 1.796 455 HG3 GLU 54 1HG GLU 54 2.510 7.232 0.203 456 H ALA 55 H ALA 55 -0.747 7.116 0.494 457 HA ALA 55 HA ALA 55 0.429 5.719 -1.631 458 HB1 ALA 55 3HB ALA 55 -1.476 4.226 -1.513 459 HB2 ALA 55 1HB ALA 55 -2.376 5.414 -0.569 460 HB3 ALA 55 2HB ALA 55 -0.935 4.657 0.109 461 H LEU 56 H LEU 56 -2.421 7.810 -1.552 462 HA LEU 56 HA LEU 56 -3.146 7.339 -4.265 463 HG LEU 56 HG LEU 56 -4.381 7.741 -1.296 464 HB2 LEU 56 2HB LEU 56 -3.854 9.775 -2.646 465 HB3 LEU 56 1HB LEU 56 -4.744 9.072 -3.977 466 HD11 LEU 56 1HD1 LEU 56 -5.698 9.779 -1.089 467 HD12 LEU 56 2HD1 LEU 56 -6.703 8.345 -0.878 468 HD13 LEU 56 3HD1 LEU 56 -6.752 9.238 -2.398 469 HD21 LEU 56 3HD2 LEU 56 -4.752 6.175 -3.118 470 HD22 LEU 56 1HD2 LEU 56 -6.171 7.088 -3.631 471 HD23 LEU 56 2HD2 LEU 56 -6.168 6.265 -2.070 472 H ASP 57 H ASP 57 -1.014 9.593 -2.664 473 HA ASP 57 HA ASP 57 -0.868 11.385 -4.918 474 HB2 ASP 57 2HB ASP 57 -0.625 12.132 -2.541 475 HB3 ASP 57 1HB ASP 57 0.918 11.291 -2.485 476 H ARG 58 H ARG 58 1.356 9.079 -3.367 477 HA ARG 58 HA ARG 58 3.493 9.601 -5.141 478 HE ARG 58 HE ARG 58 4.961 4.716 -2.911 479 HB2 ARG 58 2HB ARG 58 4.574 7.652 -4.184 480 HB3 ARG 58 1HB ARG 58 3.832 8.619 -2.922 481 HG2 ARG 58 2HG ARG 58 1.912 7.029 -2.931 482 HG3 ARG 58 1HG ARG 58 2.834 6.016 -4.045 483 HD2 ARG 58 2HD ARG 58 3.761 6.857 -1.300 484 HD3 ARG 58 1HD ARG 58 3.022 5.303 -1.678 485 HH11 ARG 58 1HH1 ARG 58 5.234 7.790 -1.239 486 HH12 ARG 58 2HH1 ARG 58 6.973 7.785 -1.271 487 HH21 ARG 58 1HH2 ARG 58 7.262 4.724 -2.930 488 HH22 ARG 58 2HH2 ARG 58 8.119 6.059 -2.230 489 H TYR 59 H TYR 59 0.889 7.216 -5.245 490 HA TYR 59 HA TYR 59 2.073 6.050 -7.657 491 HD1 TYR 59 HD2 TYR 59 3.102 4.039 -7.124 492 HD2 TYR 59 HD1 TYR 59 0.205 4.197 -4.005 493 HE1 TYR 59 HE2 TYR 59 4.655 2.858 -5.624 494 HE2 TYR 59 HE1 TYR 59 1.757 3.021 -2.503 495 HH TYR 59 HH TYR 59 3.723 1.478 -2.719 496 HB2 TYR 59 2HB TYR 59 -0.311 5.142 -6.035 497 HB3 TYR 59 1HB TYR 59 0.366 4.292 -7.420 498 H SER 60 H SER 60 0.102 8.546 -6.960 499 HA SER 60 HA SER 60 -1.343 9.833 -8.144 500 HG SER 60 HG SER 60 -2.264 9.818 -10.669 501 HB2 SER 60 2HB SER 60 0.439 9.492 -9.894 502 HB3 SER 60 1HB SER 60 -0.527 8.167 -10.537 503 H LEU 61 H LEU 61 -2.350 7.546 -6.826 504 HA LEU 61 HA LEU 61 -4.192 6.160 -8.554 505 HG LEU 61 HG LEU 61 -2.035 4.965 -6.873 506 HB2 LEU 61 2HB LEU 61 -3.797 6.154 -5.565 507 HB3 LEU 61 1HB LEU 61 -5.001 5.177 -6.381 508 HD11 LEU 61 1HD1 LEU 61 -2.567 4.321 -4.594 509 HD12 LEU 61 2HD1 LEU 61 -2.160 2.904 -5.566 510 HD13 LEU 61 3HD1 LEU 61 -3.845 3.258 -5.182 511 HD21 LEU 61 3HD2 LEU 61 -2.616 2.893 -8.005 512 HD22 LEU 61 1HD2 LEU 61 -3.438 4.263 -8.753 513 HD23 LEU 61 2HD2 LEU 61 -4.325 3.180 -7.679 514 H SER 62 H SER 62 -6.499 5.913 -7.426 515 HA SER 62 HA SER 62 -7.533 8.604 -6.844 516 HG SER 62 HG SER 62 -7.500 8.661 -9.273 517 HB2 SER 62 2HB SER 62 -9.003 6.440 -8.371 518 HB3 SER 62 1HB SER 62 -9.531 8.101 -8.103 519 H GLU 63 H GLU 63 -9.475 8.638 -5.574 520 HA GLU 63 HA GLU 63 -9.250 7.193 -3.216 521 HB2 GLU 63 2HB GLU 63 -10.355 9.410 -3.570 522 HB3 GLU 63 1HB GLU 63 -11.699 8.567 -4.324 523 HG2 GLU 63 2HG GLU 63 -12.022 7.326 -2.217 524 HG3 GLU 63 1HG GLU 63 -10.782 8.340 -1.487 525 H GLU 64 H GLU 64 -11.437 6.802 -5.955 526 HA GLU 64 HA GLU 64 -13.001 4.714 -4.934 527 HB2 GLU 64 2HB GLU 64 -13.516 4.288 -7.368 528 HB3 GLU 64 1HB GLU 64 -13.807 5.927 -6.801 529 HG2 GLU 64 2HG GLU 64 -11.510 6.495 -7.704 530 HG3 GLU 64 1HG GLU 64 -11.549 4.925 -8.503 531 H GLU 65 H GLU 65 -9.942 4.682 -6.663 532 HA GLU 65 HA GLU 65 -9.903 1.907 -7.243 533 HB2 GLU 65 2HB GLU 65 -8.523 3.554 -8.444 534 HB3 GLU 65 1HB GLU 65 -7.625 3.885 -6.974 535 HG2 GLU 65 2HG GLU 65 -6.356 2.480 -8.474 536 HG3 GLU 65 1HG GLU 65 -6.739 1.616 -6.990 537 H PHE 66 H PHE 66 -8.234 3.826 -4.729 538 HA PHE 66 HA PHE 66 -7.126 1.620 -3.380 539 HD1 PHE 66 HD1 PHE 66 -4.592 2.653 -2.289 540 HD2 PHE 66 HD2 PHE 66 -8.020 3.428 0.109 541 HE1 PHE 66 HE1 PHE 66 -3.362 1.903 -0.294 542 HE2 PHE 66 HE2 PHE 66 -6.795 2.684 2.106 543 HZ PHE 66 HZ PHE 66 -4.464 1.920 1.908 544 HB2 PHE 66 2HB PHE 66 -6.426 4.020 -3.112 545 HB3 PHE 66 1HB PHE 66 -7.869 4.275 -2.139 546 H ALA 67 H ALA 67 -10.265 3.164 -3.155 547 HA ALA 67 HA ALA 67 -11.175 1.974 -0.782 548 HB1 ALA 67 3HB ALA 67 -12.803 2.710 -3.214 549 HB2 ALA 67 1HB ALA 67 -12.347 3.813 -1.918 550 HB3 ALA 67 2HB ALA 67 -13.420 2.455 -1.580 551 H LEU 68 H LEU 68 -11.115 0.832 -4.107 552 HA LEU 68 HA LEU 68 -12.531 -1.581 -3.640 553 HG LEU 68 HG LEU 68 -12.501 0.570 -5.896 554 HB2 LEU 68 2HB LEU 68 -10.517 -0.899 -5.786 555 HB3 LEU 68 1HB LEU 68 -11.570 -2.301 -5.801 556 HD11 LEU 68 1HD1 LEU 68 -12.410 -1.530 -8.054 557 HD12 LEU 68 2HD1 LEU 68 -11.371 -0.109 -7.951 558 HD13 LEU 68 3HD1 LEU 68 -13.106 0.083 -8.203 559 HD21 LEU 68 3HD2 LEU 68 -14.694 -0.380 -6.345 560 HD22 LEU 68 1HD2 LEU 68 -14.086 -0.931 -4.786 561 HD23 LEU 68 2HD2 LEU 68 -14.036 -2.008 -6.181 562 H TRP 69 H TRP 69 -9.099 -0.718 -3.691 563 HA TRP 69 HA TRP 69 -7.961 -3.229 -3.316 564 HD1 TRP 69 HD1 TRP 69 -8.065 -1.323 -5.295 565 HE1 TRP 69 HE1 TRP 69 -6.495 -0.456 -7.130 566 HE3 TRP 69 HE3 TRP 69 -3.841 -0.682 -2.496 567 HZ2 TRP 69 HZ2 TRP 69 -3.813 0.372 -7.362 568 HZ3 TRP 69 HZ3 TRP 69 -1.811 0.151 -3.606 569 HH2 TRP 69 HH2 TRP 69 -1.802 0.663 -5.990 570 HB2 TRP 69 2HB TRP 69 -7.066 -0.599 -2.106 571 HB3 TRP 69 1HB TRP 69 -6.088 -2.056 -2.172 572 H ARG 70 H ARG 70 -9.038 -0.921 -0.836 573 HA ARG 70 HA ARG 70 -8.284 -2.612 1.319 574 HE ARG 70 HE ARG 70 -9.519 0.858 3.664 575 HB2 ARG 70 2HB ARG 70 -9.153 -0.958 2.754 576 HB3 ARG 70 1HB ARG 70 -8.508 -0.086 1.375 577 HG2 ARG 70 2HG ARG 70 -10.922 -0.133 0.488 578 HG3 ARG 70 1HG ARG 70 -11.359 -0.546 2.148 579 HD2 ARG 70 2HD ARG 70 -10.117 1.954 1.081 580 HD3 ARG 70 1HD ARG 70 -11.535 1.770 2.110 581 HH11 ARG 70 1HH1 ARG 70 -10.090 3.831 1.909 582 HH12 ARG 70 2HH1 ARG 70 -9.007 4.778 2.886 583 HH21 ARG 70 1HH2 ARG 70 -8.092 2.106 4.963 584 HH22 ARG 70 2HH2 ARG 70 -7.863 3.797 4.605 585 H SER 71 H SER 71 -11.138 -2.382 -0.623 586 HA SER 71 HA SER 71 -12.800 -3.780 1.275 587 HG SER 71 HG SER 71 -13.344 -1.239 -0.708 588 HB2 SER 71 2HB SER 71 -13.275 -3.164 -1.650 589 HB3 SER 71 1HB SER 71 -14.480 -3.789 -0.522 590 H ALA 72 H ALA 72 -10.734 -4.589 -1.415 591 HA ALA 72 HA ALA 72 -11.732 -7.292 -1.619 592 HB1 ALA 72 3HB ALA 72 -10.897 -6.099 -3.597 593 HB2 ALA 72 1HB ALA 72 -10.015 -7.599 -3.306 594 HB3 ALA 72 2HB ALA 72 -9.287 -6.050 -2.877 595 H VAL 73 H VAL 73 -9.449 -5.668 0.326 596 HA VAL 73 HA VAL 73 -8.196 -8.237 1.039 597 HB VAL 73 HB VAL 73 -7.011 -5.474 1.354 598 HG11 VAL 73 1HG1 VAL 73 -4.956 -6.656 1.974 599 HG12 VAL 73 2HG1 VAL 73 -5.812 -8.196 1.869 600 HG13 VAL 73 3HG1 VAL 73 -6.271 -7.016 3.097 601 HG21 VAL 73 3HG2 VAL 73 -6.304 -7.687 -0.573 602 HG22 VAL 73 1HG2 VAL 73 -5.448 -6.155 -0.396 603 HG23 VAL 73 2HG2 VAL 73 -7.110 -6.173 -0.986 604 H ALA 74 H ALA 74 -8.831 -5.047 2.550 605 HA ALA 74 HA ALA 74 -8.654 -6.161 5.173 606 HB1 ALA 74 3HB ALA 74 -8.020 -3.843 4.698 607 HB2 ALA 74 1HB ALA 74 -9.245 -3.942 5.961 608 HB3 ALA 74 2HB ALA 74 -9.701 -3.464 4.327 609 H ALA 75 H ALA 75 -11.315 -5.222 3.057 610 HA ALA 75 HA ALA 75 -13.298 -5.767 5.085 611 HB1 ALA 75 3HB ALA 75 -13.679 -4.013 3.418 612 HB2 ALA 75 1HB ALA 75 -14.937 -5.249 3.362 613 HB3 ALA 75 2HB ALA 75 -13.666 -5.229 2.140 614 H HIS 76 H HIS 76 -11.454 -7.683 3.091 615 HA HIS 76 HA HIS 76 -13.497 -9.638 2.483 616 HD1 HIS 76 HD1 HIS 76 -9.940 -12.196 1.370 617 HD2 HIS 76 HD2 HIS 76 -13.853 -11.176 0.394 618 HE1 HIS 76 HE1 HIS 76 -10.907 -14.221 0.236 619 HE2 HIS 76 HE2 HIS 76 -13.336 -13.654 -0.131 620 HB2 HIS 76 2HB HIS 76 -11.568 -9.143 0.940 621 HB3 HIS 76 1HB HIS 76 -10.508 -9.911 2.118 622 H GLY 77 H GLY 77 -14.105 -9.922 4.720 623 HA2 GLY 77 2HA GLY 77 -12.848 -12.307 5.770 624 HA3 GLY 77 1HA GLY 77 -12.712 -10.905 6.827 625 H GLU 78 H GLU 78 -15.392 -11.401 4.708 626 HA GLU 78 HA GLU 78 -17.246 -10.916 6.814 627 HB2 GLU 78 2HB GLU 78 -18.926 -11.152 4.969 628 HB3 GLU 78 1HB GLU 78 -17.661 -9.967 4.656 629 HG2 GLU 78 2HG GLU 78 -16.490 -11.554 3.242 630 HG3 GLU 78 1HG GLU 78 -17.696 -12.788 3.598 631 H LYS 79 H LYS 79 -15.689 -13.660 6.370 632 HA LYS 79 HA LYS 79 -17.994 -15.450 6.406 633 HB2 LYS 79 2HB LYS 79 -15.031 -16.067 6.428 634 HB3 LYS 79 1HB LYS 79 -16.316 -17.265 6.344 635 HG2 LYS 79 2HG LYS 79 -15.685 -15.162 4.282 636 HG3 LYS 79 1HG LYS 79 -15.389 -16.897 4.148 637 HD2 LYS 79 2HD LYS 79 -17.809 -17.308 4.296 638 HD3 LYS 79 1HD LYS 79 -18.088 -15.571 4.403 639 HE2 LYS 79 2HE LYS 79 -18.492 -16.270 2.147 640 HE3 LYS 79 1HE LYS 79 -17.010 -15.316 2.181 641 HZ1 LYS 79 3HZ LYS 79 -16.993 -18.275 2.293 642 HZ2 LYS 79 1HZ LYS 79 -15.699 -17.236 1.950 643 HZ3 LYS 79 2HZ LYS 79 -16.959 -17.422 0.827 644 H ALA 80 H ALA 80 -15.095 -14.841 8.382 645 HA ALA 80 HA ALA 80 -16.699 -15.135 10.786 646 HB1 ALA 80 3HB ALA 80 -14.240 -16.821 10.312 647 HB2 ALA 80 1HB ALA 80 -15.902 -17.408 10.368 648 HB3 ALA 80 2HB ALA 80 -15.158 -16.732 11.816 649 H LEU 81 H LEU 81 -16.312 -13.240 11.709 650 HA LEU 81 HA LEU 81 -13.953 -11.732 11.234 651 HG LEU 81 HG LEU 81 -15.165 -9.647 10.748 652 HB2 LEU 81 2HB LEU 81 -16.381 -11.338 12.937 653 HB3 LEU 81 1HB LEU 81 -14.991 -10.296 13.154 654 HD11 LEU 81 1HD1 LEU 81 -16.354 -11.621 9.928 655 HD12 LEU 81 2HD1 LEU 81 -17.213 -10.131 9.533 656 HD13 LEU 81 3HD1 LEU 81 -17.776 -11.149 10.859 657 HD21 LEU 81 3HD2 LEU 81 -17.089 -8.183 11.062 658 HD22 LEU 81 1HD2 LEU 81 -16.100 -8.262 12.520 659 HD23 LEU 81 2HD2 LEU 81 -17.615 -9.161 12.433 660 H LYS 82 H LYS 82 -12.290 -13.022 11.945 661 HA LYS 82 HA LYS 82 -11.901 -13.749 14.664 662 HB2 LYS 82 2HB LYS 82 -10.593 -14.764 12.857 663 HB3 LYS 82 1HB LYS 82 -9.892 -13.201 12.462 664 HG2 LYS 82 2HG LYS 82 -8.745 -13.144 14.592 665 HG3 LYS 82 1HG LYS 82 -9.506 -14.662 15.068 666 HD2 LYS 82 2HD LYS 82 -7.695 -14.337 12.679 667 HD3 LYS 82 1HD LYS 82 -7.163 -14.907 14.263 668 HE2 LYS 82 2HE LYS 82 -8.788 -16.763 14.089 669 HE3 LYS 82 1HE LYS 82 -9.208 -16.212 12.467 670 HZ1 LYS 82 3HZ LYS 82 -6.486 -17.052 13.312 671 HZ2 LYS 82 1HZ LYS 82 -6.974 -16.642 11.740 672 HZ3 LYS 82 2HZ LYS 82 -7.585 -18.039 12.480 673 H VAL 83 H VAL 83 -10.464 -12.680 16.213 674 HA VAL 83 HA VAL 83 -11.159 -10.052 16.680 675 HB VAL 83 HB VAL 83 -10.277 -11.557 18.405 676 HG11 VAL 83 1HG1 VAL 83 -7.869 -11.882 18.677 677 HG12 VAL 83 2HG1 VAL 83 -7.585 -11.039 17.153 678 HG13 VAL 83 3HG1 VAL 83 -8.453 -12.576 17.162 679 HG21 VAL 83 3HG2 VAL 83 -8.760 -8.963 18.168 680 HG22 VAL 83 1HG2 VAL 83 -8.969 -9.901 19.648 681 HG23 VAL 83 2HG2 VAL 83 -10.368 -9.173 18.859 682 H THR 84 H THR 84 -8.400 -11.241 14.874 683 HA THR 84 HA THR 84 -7.046 -8.745 14.659 684 HB THR 84 HB THR 84 -6.827 -11.068 12.760 685 HG1 THR 84 HG1 THR 84 -5.006 -11.258 14.692 686 HG21 THR 84 3HG2 THR 84 -5.549 -9.076 12.160 687 HG22 THR 84 1HG2 THR 84 -4.466 -10.373 12.660 688 HG23 THR 84 2HG2 THR 84 -4.818 -9.044 13.764 689 H MET 85 H MET 85 -9.866 -9.927 13.247 690 HA MET 85 HA MET 85 -9.524 -8.506 10.721 691 HB2 MET 85 2HB MET 85 -11.584 -10.470 11.713 692 HB3 MET 85 1HB MET 85 -11.783 -9.583 10.206 693 HG2 MET 85 2HG MET 85 -9.726 -10.556 9.350 694 HG3 MET 85 1HG MET 85 -9.489 -11.418 10.869 695 HE1 MET 85 3HE MET 85 -9.225 -13.707 9.514 696 HE2 MET 85 1HE MET 85 -9.460 -12.823 8.004 697 HE3 MET 85 2HE MET 85 -10.406 -14.275 8.333 698 H ILE 86 H ILE 86 -11.127 -8.179 13.775 699 HA ILE 86 HA ILE 86 -13.183 -6.424 12.913 700 HB ILE 86 HB ILE 86 -11.965 -6.830 15.646 701 HG12 ILE 86 2HG1 ILE 86 -14.489 -7.603 15.927 702 HG13 ILE 86 1HG1 ILE 86 -14.363 -7.835 14.186 703 HG21 ILE 86 1HG2 ILE 86 -13.829 -5.510 16.551 704 HG22 ILE 86 2HG2 ILE 86 -14.311 -5.084 14.911 705 HG23 ILE 86 3HG2 ILE 86 -12.758 -4.538 15.544 706 HD11 ILE 86 3HD1 ILE 86 -13.906 -9.897 15.300 707 HD12 ILE 86 1HD1 ILE 86 -12.679 -9.130 16.305 708 HD13 ILE 86 2HD1 ILE 86 -12.414 -9.299 14.568 709 H GLN 87 H GLN 87 -9.851 -5.889 13.974 710 HA GLN 87 HA GLN 87 -10.013 -3.081 14.141 711 HB2 GLN 87 2HB GLN 87 -7.593 -3.058 14.036 712 HB3 GLN 87 1HB GLN 87 -8.133 -4.363 15.081 713 HG2 GLN 87 2HG GLN 87 -7.675 -5.984 13.365 714 HG3 GLN 87 1HG GLN 87 -7.267 -4.704 12.222 715 HE21 GLN 87 1HE2 GLN 87 -5.332 -3.561 12.486 716 HE22 GLN 87 2HE2 GLN 87 -4.044 -4.171 13.462 717 H LYS 88 H LYS 88 -9.657 -5.247 11.426 718 HA LYS 88 HA LYS 88 -8.864 -3.452 9.430 719 HB2 LYS 88 2HB LYS 88 -10.771 -5.797 9.277 720 HB3 LYS 88 1HB LYS 88 -10.190 -4.923 7.872 721 HG2 LYS 88 2HG LYS 88 -7.909 -5.631 8.352 722 HG3 LYS 88 1HG LYS 88 -8.471 -6.478 9.800 723 HD2 LYS 88 2HD LYS 88 -9.801 -7.977 8.482 724 HD3 LYS 88 1HD LYS 88 -9.494 -7.045 7.021 725 HE2 LYS 88 2HE LYS 88 -7.101 -7.635 7.189 726 HE3 LYS 88 1HE LYS 88 -7.474 -8.641 8.590 727 HZ1 LYS 88 3HZ LYS 88 -7.352 -9.923 6.502 728 HZ2 LYS 88 1HZ LYS 88 -8.637 -9.021 5.877 729 HZ3 LYS 88 2HZ LYS 88 -8.880 -10.020 7.218 730 H TYR 89 H TYR 89 -12.048 -4.239 10.716 731 HA TYR 89 HA TYR 89 -13.386 -2.432 8.912 732 HD1 TYR 89 HD2 TYR 89 -14.543 -3.806 7.519 733 HD2 TYR 89 HD1 TYR 89 -14.521 -6.307 10.959 734 HE1 TYR 89 HE2 TYR 89 -14.595 -5.791 6.069 735 HE2 TYR 89 HE1 TYR 89 -14.566 -8.300 9.519 736 HH TYR 89 HH TYR 89 -14.156 -8.086 6.077 737 HB2 TYR 89 2HB TYR 89 -14.442 -4.030 11.253 738 HB3 TYR 89 1HB TYR 89 -15.430 -3.158 10.088 739 H ARG 90 H ARG 90 -11.908 -2.174 11.965 740 HA ARG 90 HA ARG 90 -13.559 0.078 12.791 741 HE ARG 90 HE ARG 90 -11.610 -0.540 17.207 742 HB2 ARG 90 2HB ARG 90 -11.251 -1.345 14.104 743 HB3 ARG 90 1HB ARG 90 -11.962 0.120 14.769 744 HG2 ARG 90 2HG ARG 90 -14.123 -1.002 14.940 745 HG3 ARG 90 1HG ARG 90 -13.409 -2.470 14.272 746 HD2 ARG 90 2HD ARG 90 -13.554 -2.623 16.690 747 HD3 ARG 90 1HD ARG 90 -11.871 -2.583 16.171 748 HH11 ARG 90 1HH1 ARG 90 -15.001 -1.384 17.118 749 HH12 ARG 90 2HH1 ARG 90 -15.463 -0.207 18.312 750 HH21 ARG 90 1HH2 ARG 90 -12.196 0.998 18.782 751 HH22 ARG 90 2HH2 ARG 90 -13.864 1.164 19.256 752 H GLN 91 H GLN 91 -10.686 -0.454 11.028 753 HA GLN 91 HA GLN 91 -9.933 2.368 11.388 754 HB2 GLN 91 2HB GLN 91 -8.220 0.527 11.828 755 HB3 GLN 91 1HB GLN 91 -8.244 0.231 10.093 756 HG2 GLN 91 2HG GLN 91 -7.762 2.769 9.916 757 HG3 GLN 91 1HG GLN 91 -7.246 2.603 11.593 758 HE21 GLN 91 1HE2 GLN 91 -5.390 1.401 12.068 759 HE22 GLN 91 2HE2 GLN 91 -4.270 0.927 10.832 760 H LEU 92 H LEU 92 -11.650 0.392 9.415 761 HA LEU 92 HA LEU 92 -10.766 1.446 6.874 762 HG LEU 92 HG LEU 92 -11.329 -0.057 5.026 763 HB2 LEU 92 2HB LEU 92 -11.716 -0.912 7.379 764 HB3 LEU 92 1HB LEU 92 -13.281 -0.130 7.326 765 HD11 LEU 92 1HD1 LEU 92 -13.635 -1.941 5.497 766 HD12 LEU 92 2HD1 LEU 92 -11.923 -2.366 5.495 767 HD13 LEU 92 3HD1 LEU 92 -12.698 -1.813 4.010 768 HD21 LEU 92 3HD2 LEU 92 -13.022 1.708 5.042 769 HD22 LEU 92 1HD2 LEU 92 -14.290 0.490 5.181 770 HD23 LEU 92 2HD2 LEU 92 -13.291 0.563 3.727 771 H HIS 93 H HIS 93 -11.252 3.486 6.464 772 HA HIS 93 HA HIS 93 -13.995 4.398 7.013 773 HD1 HIS 93 HD1 HIS 93 -9.875 5.776 8.245 774 HD2 HIS 93 HD2 HIS 93 -11.366 7.052 4.577 775 HE1 HIS 93 HE1 HIS 93 -7.876 6.533 6.925 776 HE2 HIS 93 HE2 HIS 93 -8.783 7.015 4.622 777 HB2 HIS 93 2HB HIS 93 -13.123 6.713 6.905 778 HB3 HIS 93 1HB HIS 93 -12.372 5.779 8.189 779 H HIS 94 H HIS 94 -15.276 4.762 5.353 780 HA HIS 94 HA HIS 94 -16.066 5.229 3.290 781 HD1 HIS 94 HD1 HIS 94 -12.984 5.542 0.425 782 HD2 HIS 94 HD2 HIS 94 -16.432 7.763 1.067 783 HE1 HIS 94 HE1 HIS 94 -13.854 6.105 -1.861 784 HE2 HIS 94 HE2 HIS 94 -15.882 7.540 -1.455 785 HB2 HIS 94 2HB HIS 94 -14.764 7.236 3.251 786 HB3 HIS 94 1HB HIS 94 -13.290 6.346 2.877 787 H HIS 95 H HIS 95 -16.587 3.387 2.329 788 HA HIS 95 HA HIS 95 -14.671 2.460 0.347 789 HD1 HIS 95 HD1 HIS 95 -17.561 -0.945 1.048 790 HD2 HIS 95 HD2 HIS 95 -16.236 1.250 4.327 791 HE1 HIS 95 HE1 HIS 95 -19.151 -1.488 2.924 792 HE2 HIS 95 HE2 HIS 95 -18.293 -0.206 4.915 793 HB2 HIS 95 2HB HIS 95 -15.314 0.091 0.675 794 HB3 HIS 95 1HB HIS 95 -14.482 0.763 2.068 Start of MODEL 17 1 HA MET 1 HA MET 1 11.756 20.663 19.794 2 H1 MET 1 1H MET 1 11.708 20.332 22.156 3 H2 MET 1 2H MET 1 12.516 18.850 22.008 4 H3 MET 1 3H MET 1 10.952 19.030 21.378 5 HB2 MET 1 2HB MET 1 14.420 19.960 21.032 6 HB3 MET 1 1HB MET 1 14.261 20.759 19.475 7 HG2 MET 1 2HG MET 1 13.089 22.616 20.564 8 HG3 MET 1 1HG MET 1 13.302 21.819 22.122 9 HE1 MET 1 3HE MET 1 15.764 24.875 22.270 10 HE2 MET 1 1HE MET 1 14.417 24.054 23.064 11 HE3 MET 1 2HE MET 1 14.185 24.808 21.487 12 H TYR 2 H TYR 2 13.412 19.943 17.908 13 HA TYR 2 HA TYR 2 13.442 17.043 17.660 14 HD1 TYR 2 HD2 TYR 2 12.300 15.206 15.876 15 HD2 TYR 2 HD1 TYR 2 9.737 18.303 17.267 16 HE1 TYR 2 HE2 TYR 2 10.608 13.527 16.472 17 HE2 TYR 2 HE1 TYR 2 8.034 16.630 17.867 18 HH TYR 2 HH TYR 2 8.707 13.216 17.800 19 HB2 TYR 2 2HB TYR 2 11.702 18.857 16.092 20 HB3 TYR 2 1HB TYR 2 12.569 17.631 15.173 21 H LEU 3 H LEU 3 15.507 16.665 17.263 22 HA LEU 3 HA LEU 3 17.050 18.407 15.517 23 HG LEU 3 HG LEU 3 19.245 16.257 14.932 24 HB2 LEU 3 2HB LEU 3 18.122 17.408 17.491 25 HB3 LEU 3 1HB LEU 3 17.763 15.804 16.883 26 HD11 LEU 3 1HD1 LEU 3 20.760 18.157 15.012 27 HD12 LEU 3 2HD1 LEU 3 19.963 18.747 16.469 28 HD13 LEU 3 3HD1 LEU 3 19.082 18.693 14.943 29 HD21 LEU 3 3HD2 LEU 3 20.079 15.036 16.869 30 HD22 LEU 3 1HD2 LEU 3 20.530 16.554 17.647 31 HD23 LEU 3 2HD2 LEU 3 21.345 16.043 16.169 32 H LYS 4 H LYS 4 15.615 15.210 15.562 33 HA LYS 4 HA LYS 4 15.510 15.171 12.677 34 HB2 LYS 4 2HB LYS 4 17.705 14.163 13.105 35 HB3 LYS 4 1HB LYS 4 16.971 13.005 14.204 36 HG2 LYS 4 2HG LYS 4 15.702 12.044 12.352 37 HG3 LYS 4 1HG LYS 4 16.430 13.212 11.248 38 HD2 LYS 4 2HD LYS 4 17.954 11.176 12.869 39 HD3 LYS 4 1HD LYS 4 17.530 11.002 11.165 40 HE2 LYS 4 2HE LYS 4 18.832 12.984 10.621 41 HE3 LYS 4 1HE LYS 4 19.227 13.208 12.324 42 HZ1 LYS 4 3HZ LYS 4 21.020 12.126 11.091 43 HZ2 LYS 4 1HZ LYS 4 19.986 10.844 10.692 44 HZ3 LYS 4 2HZ LYS 4 20.409 11.122 12.312 45 H ARG 5 H ARG 5 13.341 15.045 12.669 46 HA ARG 5 HA ARG 5 11.897 13.249 14.383 47 HE ARG 5 HE ARG 5 8.643 16.325 13.370 48 HB2 ARG 5 2HB ARG 5 10.793 15.282 13.696 49 HB3 ARG 5 1HB ARG 5 11.029 14.891 11.997 50 HG2 ARG 5 2HG ARG 5 9.617 12.815 12.450 51 HG3 ARG 5 1HG ARG 5 9.183 13.591 13.971 52 HD2 ARG 5 2HD ARG 5 8.842 14.928 11.306 53 HD3 ARG 5 1HD ARG 5 7.594 13.916 12.030 54 HH11 ARG 5 1HH1 ARG 5 6.001 14.311 12.260 55 HH12 ARG 5 2HH1 ARG 5 4.766 15.337 12.937 56 HH21 ARG 5 1HH2 ARG 5 7.037 17.675 14.272 57 HH22 ARG 5 2HH2 ARG 5 5.357 17.242 14.109 58 H VAL 6 H VAL 6 11.250 11.225 13.985 59 HA VAL 6 HA VAL 6 11.165 10.327 11.200 60 HB VAL 6 HB VAL 6 13.210 9.385 12.055 61 HG11 VAL 6 1HG1 VAL 6 12.752 9.509 14.441 62 HG12 VAL 6 2HG1 VAL 6 13.296 7.896 13.981 63 HG13 VAL 6 3HG1 VAL 6 11.586 8.193 14.295 64 HG21 VAL 6 3HG2 VAL 6 11.909 7.987 10.560 65 HG22 VAL 6 1HG2 VAL 6 11.049 7.287 11.932 66 HG23 VAL 6 2HG2 VAL 6 12.779 7.000 11.733 67 H ASP 7 H ASP 7 8.949 10.798 11.341 68 HA ASP 7 HA ASP 7 7.356 9.196 13.201 69 HB2 ASP 7 2HB ASP 7 5.451 10.617 12.400 70 HB3 ASP 7 1HB ASP 7 6.737 11.511 13.195 71 H GLY 8 H GLY 8 8.505 9.092 10.079 72 HA2 GLY 8 2HA GLY 8 6.325 7.392 9.125 73 HA3 GLY 8 1HA GLY 8 7.689 7.962 8.167 74 HA PRO 9 HA PRO 9 8.689 3.951 10.822 75 HB2 PRO 9 2HB PRO 9 6.552 2.366 9.548 76 HB3 PRO 9 1HB PRO 9 7.065 2.407 11.237 77 HG2 PRO 9 2HG PRO 9 4.749 3.501 10.458 78 HG3 PRO 9 1HG PRO 9 5.739 4.233 11.735 79 HD2 PRO 9 2HD PRO 9 5.470 5.022 8.857 80 HD3 PRO 9 1HD PRO 9 5.557 6.049 10.304 81 H ARG 10 H ARG 10 10.176 2.612 9.936 82 HA ARG 10 HA ARG 10 10.435 2.615 7.044 83 HE ARG 10 HE ARG 10 14.394 2.378 6.602 84 HB2 ARG 10 2HB ARG 10 12.202 1.487 9.222 85 HB3 ARG 10 1HB ARG 10 12.571 1.389 7.507 86 HG2 ARG 10 2HG ARG 10 12.558 3.864 7.408 87 HG3 ARG 10 1HG ARG 10 12.325 3.895 9.158 88 HD2 ARG 10 2HD ARG 10 14.686 4.187 8.533 89 HD3 ARG 10 1HD ARG 10 14.425 2.726 9.486 90 HH11 ARG 10 1HH1 ARG 10 16.328 2.326 9.532 91 HH12 ARG 10 2HH1 ARG 10 17.492 1.198 8.892 92 HH21 ARG 10 1HH2 ARG 10 15.942 0.927 5.748 93 HH22 ARG 10 2HH2 ARG 10 17.287 0.426 6.722 94 H GLN 11 H GLN 11 9.425 0.534 9.592 95 HA GLN 11 HA GLN 11 8.577 -1.469 7.673 96 HB2 GLN 11 2HB GLN 11 9.607 -3.325 8.932 97 HB3 GLN 11 1HB GLN 11 10.807 -2.256 8.224 98 HG2 GLN 11 2HG GLN 11 11.234 -1.229 10.354 99 HG3 GLN 11 1HG GLN 11 9.911 -2.125 11.095 100 HE21 GLN 11 1HE2 GLN 11 12.086 -3.554 8.776 101 HE22 GLN 11 2HE2 GLN 11 12.888 -4.609 9.888 102 H VAL 12 H VAL 12 6.779 -2.529 8.294 103 HA VAL 12 HA VAL 12 5.888 -2.297 11.091 104 HB VAL 12 HB VAL 12 3.530 -2.242 10.247 105 HG11 VAL 12 1HG1 VAL 12 4.628 -0.205 11.015 106 HG12 VAL 12 2HG1 VAL 12 3.534 0.139 9.673 107 HG13 VAL 12 3HG1 VAL 12 5.275 0.067 9.397 108 HG21 VAL 12 3HG2 VAL 12 3.126 -1.555 7.931 109 HG22 VAL 12 1HG2 VAL 12 3.923 -3.129 8.012 110 HG23 VAL 12 2HG2 VAL 12 4.852 -1.691 7.594 111 H THR 13 H THR 13 4.050 -3.996 11.467 112 HA THR 13 HA THR 13 5.071 -6.518 10.348 113 HB THR 13 HB THR 13 3.567 -6.204 12.946 114 HG1 THR 13 HG1 THR 13 6.344 -5.979 12.377 115 HG21 THR 13 3HG2 THR 13 5.417 -8.355 11.908 116 HG22 THR 13 1HG2 THR 13 3.660 -8.468 12.014 117 HG23 THR 13 2HG2 THR 13 4.627 -8.346 13.484 118 H LEU 14 H LEU 14 3.720 -7.877 9.306 119 HA LEU 14 HA LEU 14 0.975 -7.112 8.848 120 HG LEU 14 HG LEU 14 2.065 -8.738 5.684 121 HB2 LEU 14 2HB LEU 14 2.593 -9.521 8.008 122 HB3 LEU 14 1HB LEU 14 0.893 -9.350 7.631 123 HD11 LEU 14 1HD1 LEU 14 1.307 -6.187 7.089 124 HD12 LEU 14 2HD1 LEU 14 0.212 -7.257 6.211 125 HD13 LEU 14 3HD1 LEU 14 1.491 -6.402 5.346 126 HD21 LEU 14 3HD2 LEU 14 4.258 -8.408 6.781 127 HD22 LEU 14 1HD2 LEU 14 3.722 -6.807 7.288 128 HD23 LEU 14 2HD2 LEU 14 3.873 -7.188 5.571 129 HA PRO 15 HA PRO 15 -0.907 -9.408 12.122 130 HB2 PRO 15 2HB PRO 15 -3.168 -10.351 10.936 131 HB3 PRO 15 1HB PRO 15 -2.958 -8.665 11.424 132 HG2 PRO 15 2HG PRO 15 -2.646 -9.909 8.719 133 HG3 PRO 15 1HG PRO 15 -3.418 -8.375 9.163 134 HD2 PRO 15 2HD PRO 15 -0.928 -8.487 8.129 135 HD3 PRO 15 1HD PRO 15 -1.405 -7.262 9.323 136 H ASP 16 H ASP 16 0.124 -10.901 9.270 137 HA ASP 16 HA ASP 16 -0.539 -13.605 10.097 138 HB2 ASP 16 2HB ASP 16 -0.655 -12.930 7.708 139 HB3 ASP 16 1HB ASP 16 1.079 -12.631 7.728 140 H GLY 17 H GLY 17 2.075 -11.362 10.248 141 HA2 GLY 17 2HA GLY 17 3.772 -11.910 11.983 142 HA3 GLY 17 1HA GLY 17 3.884 -13.489 11.219 143 H THR 18 H THR 18 3.453 -11.642 8.668 144 HA THR 18 HA THR 18 6.197 -11.701 7.886 145 HB THR 18 HB THR 18 4.104 -10.169 6.383 146 HG1 THR 18 HG1 THR 18 4.190 -12.964 6.845 147 HG21 THR 18 3HG2 THR 18 5.219 -11.173 4.445 148 HG22 THR 18 1HG2 THR 18 6.295 -12.064 5.523 149 HG23 THR 18 2HG2 THR 18 6.370 -10.302 5.462 150 H VAL 19 H VAL 19 7.319 -9.769 6.976 151 HA VAL 19 HA VAL 19 6.798 -7.368 8.598 152 HB VAL 19 HB VAL 19 9.376 -8.212 7.250 153 HG11 VAL 19 1HG1 VAL 19 9.168 -5.789 7.393 154 HG12 VAL 19 2HG1 VAL 19 10.400 -6.374 8.510 155 HG13 VAL 19 3HG1 VAL 19 8.811 -5.907 9.116 156 HG21 VAL 19 3HG2 VAL 19 8.589 -8.263 10.164 157 HG22 VAL 19 1HG2 VAL 19 10.204 -8.596 9.535 158 HG23 VAL 19 2HG2 VAL 19 8.859 -9.662 9.125 159 H LEU 20 H LEU 20 6.460 -5.441 7.609 160 HA LEU 20 HA LEU 20 6.634 -5.379 4.667 161 HG LEU 20 HG LEU 20 4.997 -2.657 4.501 162 HB2 LEU 20 2HB LEU 20 4.306 -5.456 5.392 163 HB3 LEU 20 1HB LEU 20 4.573 -4.099 6.465 164 HD11 LEU 20 1HD1 LEU 20 5.786 -4.358 2.950 165 HD12 LEU 20 2HD1 LEU 20 4.423 -3.469 2.270 166 HD13 LEU 20 3HD1 LEU 20 4.182 -5.092 2.920 167 HD21 LEU 20 3HD2 LEU 20 2.780 -2.767 5.496 168 HD22 LEU 20 1HD2 LEU 20 2.370 -4.134 4.458 169 HD23 LEU 20 2HD2 LEU 20 2.676 -2.548 3.749 170 H SER 21 H SER 21 8.449 -4.225 4.324 171 HA SER 21 HA SER 21 8.888 -1.819 5.934 172 HG SER 21 HG SER 21 10.218 -4.033 3.458 173 HB2 SER 21 2HB SER 21 11.142 -1.810 4.986 174 HB3 SER 21 1HB SER 21 10.781 -3.402 5.649 175 H ARG 22 H ARG 22 9.718 0.129 4.672 176 HA ARG 22 HA ARG 22 7.874 0.762 2.588 177 HE ARG 22 HE ARG 22 9.043 5.040 2.732 178 HB2 ARG 22 2HB ARG 22 10.275 2.257 3.646 179 HB3 ARG 22 1HB ARG 22 9.207 2.891 2.402 180 HG2 ARG 22 2HG ARG 22 7.315 2.668 3.998 181 HG3 ARG 22 1HG ARG 22 8.479 2.203 5.237 182 HD2 ARG 22 2HD ARG 22 7.931 4.557 5.429 183 HD3 ARG 22 1HD ARG 22 9.618 4.352 4.966 184 HH11 ARG 22 1HH1 ARG 22 6.498 5.482 5.115 185 HH12 ARG 22 2HH1 ARG 22 5.670 6.691 4.185 186 HH21 ARG 22 1HH2 ARG 22 7.955 6.662 1.531 187 HH22 ARG 22 2HH2 ARG 22 6.495 7.377 2.165 188 H ALA 23 H ALA 23 10.681 -0.996 2.608 189 HA ALA 23 HA ALA 23 11.467 -0.372 -0.114 190 HB1 ALA 23 3HB ALA 23 13.122 -2.162 0.194 191 HB2 ALA 23 1HB ALA 23 12.418 -2.534 1.766 192 HB3 ALA 23 2HB ALA 23 13.196 -0.974 1.495 193 H ASP 24 H ASP 24 9.236 -2.349 1.521 194 HA ASP 24 HA ASP 24 8.990 -4.349 -0.551 195 HB2 ASP 24 2HB ASP 24 7.380 -3.731 1.925 196 HB3 ASP 24 1HB ASP 24 6.863 -4.937 0.752 197 H LEU 25 H LEU 25 7.718 -1.238 0.162 198 HA LEU 25 HA LEU 25 5.329 -1.253 -1.273 199 HG LEU 25 HG LEU 25 6.173 0.193 1.237 200 HB2 LEU 25 2HB LEU 25 7.336 0.952 -0.819 201 HB3 LEU 25 1HB LEU 25 5.780 1.209 -1.580 202 HD11 LEU 25 1HD1 LEU 25 5.353 2.398 1.908 203 HD12 LEU 25 2HD1 LEU 25 5.330 2.905 0.219 204 HD13 LEU 25 3HD1 LEU 25 6.863 2.519 1.003 205 HD21 LEU 25 3HD2 LEU 25 3.684 1.011 -0.259 206 HD22 LEU 25 1HD2 LEU 25 3.763 0.568 1.446 207 HD23 LEU 25 2HD2 LEU 25 4.124 -0.631 0.205 208 HA PRO 26 HA PRO 26 6.732 -2.013 -5.407 209 HB2 PRO 26 2HB PRO 26 4.450 -1.125 -6.657 210 HB3 PRO 26 1HB PRO 26 4.618 -2.721 -5.922 211 HG2 PRO 26 2HG PRO 26 3.364 -0.242 -4.808 212 HG3 PRO 26 1HG PRO 26 2.793 -1.921 -4.735 213 HD2 PRO 26 2HD PRO 26 4.000 -0.764 -2.644 214 HD3 PRO 26 1HD PRO 26 4.260 -2.478 -3.033 215 HA PRO 27 HA PRO 27 8.347 1.803 -6.897 216 HB2 PRO 27 2HB PRO 27 8.377 1.320 -9.589 217 HB3 PRO 27 1HB PRO 27 9.566 0.672 -8.454 218 HG2 PRO 27 2HG PRO 27 7.139 -0.639 -9.615 219 HG3 PRO 27 1HG PRO 27 8.765 -1.307 -9.367 220 HD2 PRO 27 2HD PRO 27 6.738 -1.864 -7.692 221 HD3 PRO 27 1HD PRO 27 8.406 -1.676 -7.110 222 H LEU 28 H LEU 28 7.909 3.629 -8.354 223 HA LEU 28 HA LEU 28 5.091 4.258 -8.163 224 HG LEU 28 HG LEU 28 7.884 5.348 -6.842 225 HB2 LEU 28 2HB LEU 28 7.352 6.004 -9.130 226 HB3 LEU 28 1HB LEU 28 5.759 6.532 -8.630 227 HD11 LEU 28 1HD1 LEU 28 8.362 7.631 -7.526 228 HD12 LEU 28 2HD1 LEU 28 7.910 7.570 -5.824 229 HD13 LEU 28 3HD1 LEU 28 6.748 8.134 -7.025 230 HD21 LEU 28 3HD2 LEU 28 5.689 4.658 -6.085 231 HD22 LEU 28 1HD2 LEU 28 5.105 6.320 -6.185 232 HD23 LEU 28 2HD2 LEU 28 6.340 5.888 -5.003 233 H ASP 29 H ASP 29 7.085 2.988 -10.511 234 HA ASP 29 HA ASP 29 5.714 4.212 -12.770 235 HB2 ASP 29 2HB ASP 29 7.269 2.893 -14.159 236 HB3 ASP 29 1HB ASP 29 8.127 3.861 -12.966 237 H THR 30 H THR 30 4.933 1.868 -10.673 238 HA THR 30 HA THR 30 4.106 -0.199 -12.492 239 HB THR 30 HB THR 30 3.435 0.220 -9.574 240 HG1 THR 30 HG1 THR 30 5.660 -0.649 -10.838 241 HG21 THR 30 3HG2 THR 30 1.790 -1.212 -10.680 242 HG22 THR 30 1HG2 THR 30 2.808 -2.154 -9.591 243 HG23 THR 30 2HG2 THR 30 3.087 -2.214 -11.331 244 H ARG 31 H ARG 31 2.498 0.319 -13.894 245 HA ARG 31 HA ARG 31 0.043 1.422 -12.721 246 HE ARG 31 HE ARG 31 -1.653 3.092 -14.005 247 HB2 ARG 31 2HB ARG 31 0.858 1.135 -15.614 248 HB3 ARG 31 1HB ARG 31 -0.739 1.650 -15.091 249 HG2 ARG 31 2HG ARG 31 1.878 3.077 -14.722 250 HG3 ARG 31 1HG ARG 31 0.462 3.608 -15.629 251 HD2 ARG 31 2HD ARG 31 0.760 3.374 -12.640 252 HD3 ARG 31 1HD ARG 31 0.522 4.839 -13.588 253 HH11 ARG 31 1HH1 ARG 31 -0.278 5.211 -11.574 254 HH12 ARG 31 2HH1 ARG 31 -1.789 5.465 -10.759 255 HH21 ARG 31 1HH2 ARG 31 -3.627 3.404 -12.940 256 HH22 ARG 31 2HH2 ARG 31 -3.706 4.420 -11.534 257 H ARG 32 H ARG 32 1.424 -1.384 -14.276 258 HA ARG 32 HA ARG 32 -1.042 -2.842 -14.327 259 HE ARG 32 HE ARG 32 0.885 -4.788 -17.328 260 HB2 ARG 32 2HB ARG 32 0.855 -3.437 -15.809 261 HB3 ARG 32 1HB ARG 32 1.792 -3.904 -14.395 262 HG2 ARG 32 2HG ARG 32 0.150 -5.645 -13.884 263 HG3 ARG 32 1HG ARG 32 -0.777 -5.182 -15.311 264 HD2 ARG 32 2HD ARG 32 2.066 -6.179 -15.334 265 HD3 ARG 32 1HD ARG 32 0.643 -7.157 -15.693 266 HH11 ARG 32 1HH1 ARG 32 1.700 -8.178 -16.973 267 HH12 ARG 32 2HH1 ARG 32 2.043 -8.410 -18.666 268 HH21 ARG 32 1HH2 ARG 32 1.289 -5.081 -19.552 269 HH22 ARG 32 2HH2 ARG 32 1.801 -6.636 -20.145 270 H TRP 33 H TRP 33 -1.696 -2.256 -12.197 271 HA TRP 33 HA TRP 33 -0.227 -3.074 -9.911 272 HD1 TRP 33 HD1 TRP 33 -2.418 0.339 -11.079 273 HE1 TRP 33 HE1 TRP 33 -0.979 2.221 -10.064 274 HE3 TRP 33 HE3 TRP 33 -0.240 -2.273 -7.274 275 HZ2 TRP 33 HZ2 TRP 33 0.837 2.546 -7.925 276 HZ3 TRP 33 HZ3 TRP 33 1.328 -1.111 -5.786 277 HH2 TRP 33 HH2 TRP 33 1.860 1.250 -6.111 278 HB2 TRP 33 2HB TRP 33 -3.031 -2.084 -10.334 279 HB3 TRP 33 1HB TRP 33 -2.460 -2.595 -8.746 280 H VAL 34 H VAL 34 0.167 -5.135 -9.587 281 HA VAL 34 HA VAL 34 -1.926 -7.116 -9.940 282 HB VAL 34 HB VAL 34 -0.206 -8.760 -9.258 283 HG11 VAL 34 1HG1 VAL 34 -0.487 -8.179 -11.614 284 HG12 VAL 34 2HG1 VAL 34 1.197 -8.547 -11.248 285 HG13 VAL 34 3HG1 VAL 34 0.682 -6.872 -11.437 286 HG21 VAL 34 3HG2 VAL 34 1.624 -6.365 -9.121 287 HG22 VAL 34 1HG2 VAL 34 2.124 -8.053 -9.006 288 HG23 VAL 34 2HG2 VAL 34 1.100 -7.350 -7.756 289 H ALA 35 H ALA 35 -2.378 -8.635 -8.142 290 HA ALA 35 HA ALA 35 -3.492 -7.261 -6.003 291 HB1 ALA 35 3HB ALA 35 -4.238 -9.463 -6.773 292 HB2 ALA 35 1HB ALA 35 -3.957 -9.433 -5.032 293 HB3 ALA 35 2HB ALA 35 -2.775 -10.186 -6.102 294 H SER 36 H SER 36 -0.413 -8.991 -6.170 295 HA SER 36 HA SER 36 0.185 -8.886 -3.425 296 HG SER 36 HG SER 36 1.604 -11.328 -4.479 297 HB2 SER 36 2HB SER 36 2.096 -8.999 -5.769 298 HB3 SER 36 1HB SER 36 2.461 -9.457 -4.104 299 H ARG 37 H ARG 37 0.742 -6.570 -6.026 300 HA ARG 37 HA ARG 37 2.409 -4.889 -4.372 301 HE ARG 37 HE ARG 37 5.376 -5.939 -7.960 302 HB2 ARG 37 2HB ARG 37 1.239 -4.450 -7.125 303 HB3 ARG 37 1HB ARG 37 2.305 -3.308 -6.309 304 HG2 ARG 37 2HG ARG 37 3.961 -5.211 -6.120 305 HG3 ARG 37 1HG ARG 37 2.930 -6.089 -7.245 306 HD2 ARG 37 2HD ARG 37 3.275 -4.426 -8.943 307 HD3 ARG 37 1HD ARG 37 4.153 -3.391 -7.812 308 HH11 ARG 37 1HH1 ARG 37 5.058 -2.958 -9.785 309 HH12 ARG 37 2HH1 ARG 37 6.554 -3.179 -10.632 310 HH21 ARG 37 1HH2 ARG 37 7.345 -6.215 -9.067 311 HH22 ARG 37 2HH2 ARG 37 7.862 -5.010 -10.219 312 H LYS 38 H LYS 38 -0.935 -4.964 -5.448 313 HA LYS 38 HA LYS 38 -1.747 -2.495 -4.353 314 HB2 LYS 38 2HB LYS 38 -3.281 -5.067 -4.748 315 HB3 LYS 38 1HB LYS 38 -4.022 -3.557 -4.244 316 HG2 LYS 38 2HG LYS 38 -3.234 -2.520 -6.350 317 HG3 LYS 38 1HG LYS 38 -2.628 -4.099 -6.856 318 HD2 LYS 38 2HD LYS 38 -4.862 -5.022 -6.760 319 HD3 LYS 38 1HD LYS 38 -5.496 -3.497 -6.147 320 HE2 LYS 38 2HE LYS 38 -4.915 -2.383 -8.215 321 HE3 LYS 38 1HE LYS 38 -4.159 -3.852 -8.827 322 HZ1 LYS 38 3HZ LYS 38 -6.277 -4.933 -8.881 323 HZ2 LYS 38 1HZ LYS 38 -6.404 -3.462 -9.711 324 HZ3 LYS 38 2HZ LYS 38 -7.042 -3.608 -8.147 325 H ALA 39 H ALA 39 -1.565 -5.751 -3.005 326 HA ALA 39 HA ALA 39 -2.710 -5.270 -0.514 327 HB1 ALA 39 3HB ALA 39 -0.523 -7.229 -1.205 328 HB2 ALA 39 1HB ALA 39 -2.256 -7.508 -1.378 329 HB3 ALA 39 2HB ALA 39 -1.555 -7.286 0.224 330 H ALA 40 H ALA 40 0.722 -5.137 -1.472 331 HA ALA 40 HA ALA 40 1.763 -4.526 1.042 332 HB1 ALA 40 3HB ALA 40 3.741 -3.732 -0.138 333 HB2 ALA 40 1HB ALA 40 2.832 -3.679 -1.648 334 HB3 ALA 40 2HB ALA 40 3.137 -5.226 -0.858 335 H VAL 41 H VAL 41 0.391 -2.415 -1.427 336 HA VAL 41 HA VAL 41 1.178 0.026 -0.192 337 HB VAL 41 HB VAL 41 -1.069 -0.504 -2.144 338 HG11 VAL 41 1HG1 VAL 41 -1.417 1.583 -0.908 339 HG12 VAL 41 2HG1 VAL 41 -1.015 1.896 -2.596 340 HG13 VAL 41 3HG1 VAL 41 0.207 2.114 -1.346 341 HG21 VAL 41 3HG2 VAL 41 1.127 -1.082 -3.028 342 HG22 VAL 41 1HG2 VAL 41 1.737 0.512 -2.584 343 HG23 VAL 41 2HG2 VAL 41 0.490 0.357 -3.820 344 H VAL 42 H VAL 42 -1.935 -1.711 -0.276 345 HA VAL 42 HA VAL 42 -3.261 0.170 1.369 346 HB VAL 42 HB VAL 42 -4.457 -1.358 -0.160 347 HG11 VAL 42 1HG1 VAL 42 -3.793 -3.487 1.863 348 HG12 VAL 42 2HG1 VAL 42 -3.221 -3.404 0.197 349 HG13 VAL 42 3HG1 VAL 42 -4.934 -3.661 0.530 350 HG21 VAL 42 3HG2 VAL 42 -5.288 -1.529 2.729 351 HG22 VAL 42 1HG2 VAL 42 -6.335 -1.845 1.345 352 HG23 VAL 42 2HG2 VAL 42 -5.670 -0.231 1.596 353 H LYS 43 H LYS 43 -1.568 -2.865 2.089 354 HA LYS 43 HA LYS 43 -2.326 -2.981 4.820 355 HB2 LYS 43 2HB LYS 43 0.054 -4.157 3.379 356 HB3 LYS 43 1HB LYS 43 -0.338 -4.498 5.058 357 HG2 LYS 43 2HG LYS 43 -2.412 -5.532 4.417 358 HG3 LYS 43 1HG LYS 43 -2.164 -5.067 2.732 359 HD2 LYS 43 2HD LYS 43 -0.105 -6.456 2.706 360 HD3 LYS 43 1HD LYS 43 -0.484 -6.984 4.347 361 HE2 LYS 43 2HE LYS 43 -2.554 -7.977 3.581 362 HE3 LYS 43 1HE LYS 43 -2.272 -7.370 1.949 363 HZ1 LYS 43 3HZ LYS 43 -0.228 -8.753 1.902 364 HZ2 LYS 43 1HZ LYS 43 -1.660 -9.659 2.032 365 HZ3 LYS 43 2HZ LYS 43 -0.682 -9.424 3.396 366 H ALA 44 H ALA 44 0.204 -1.302 3.085 367 HA ALA 44 HA ALA 44 1.824 -0.590 5.267 368 HB1 ALA 44 3HB ALA 44 2.528 -0.309 2.936 369 HB2 ALA 44 1HB ALA 44 2.666 1.199 3.836 370 HB3 ALA 44 2HB ALA 44 1.320 0.956 2.722 371 H VAL 45 H VAL 45 -0.909 1.084 3.747 372 HA VAL 45 HA VAL 45 -0.979 3.297 5.484 373 HB VAL 45 HB VAL 45 -3.277 2.012 3.994 374 HG11 VAL 45 1HG1 VAL 45 -4.366 4.186 4.168 375 HG12 VAL 45 2HG1 VAL 45 -3.007 4.802 5.107 376 HG13 VAL 45 3HG1 VAL 45 -4.028 3.523 5.766 377 HG21 VAL 45 3HG2 VAL 45 -1.460 2.625 2.497 378 HG22 VAL 45 1HG2 VAL 45 -1.432 4.254 3.175 379 HG23 VAL 45 2HG2 VAL 45 -2.841 3.698 2.272 380 H ILE 46 H ILE 46 -2.625 0.177 5.564 381 HA ILE 46 HA ILE 46 -4.291 0.649 7.757 382 HB ILE 46 HB ILE 46 -3.151 -1.922 6.665 383 HG12 ILE 46 2HG1 ILE 46 -5.896 -0.671 6.422 384 HG13 ILE 46 1HG1 ILE 46 -4.641 -0.592 5.190 385 HG21 ILE 46 1HG2 ILE 46 -5.324 -1.573 8.724 386 HG22 ILE 46 2HG2 ILE 46 -3.739 -2.300 8.985 387 HG23 ILE 46 3HG2 ILE 46 -4.907 -3.088 7.924 388 HD11 ILE 46 3HD1 ILE 46 -6.293 -2.274 4.638 389 HD12 ILE 46 1HD1 ILE 46 -6.004 -3.089 6.178 390 HD13 ILE 46 2HD1 ILE 46 -4.730 -3.027 4.960 391 H HIS 47 H HIS 47 -0.894 -0.217 7.652 392 HA HIS 47 HA HIS 47 -0.920 -0.743 10.538 393 HD1 HIS 47 HD1 HIS 47 -0.799 -3.110 11.058 394 HD2 HIS 47 HD2 HIS 47 0.754 -3.492 7.220 395 HE1 HIS 47 HE1 HIS 47 -1.555 -5.365 10.239 396 HE2 HIS 47 HE2 HIS 47 -0.748 -5.492 7.860 397 HB2 HIS 47 2HB HIS 47 1.254 -1.178 8.488 398 HB3 HIS 47 1HB HIS 47 1.439 -1.486 10.211 399 H GLY 48 H GLY 48 -0.436 1.832 8.480 400 HA2 GLY 48 2HA GLY 48 0.057 4.009 9.181 401 HA3 GLY 48 1HA GLY 48 0.759 3.355 10.651 402 H LEU 49 H LEU 49 1.894 1.726 7.947 403 HA LEU 49 HA LEU 49 4.557 2.649 8.179 404 HG LEU 49 HG LEU 49 5.564 2.113 5.395 405 HB2 LEU 49 2HB LEU 49 3.884 0.436 7.254 406 HB3 LEU 49 1HB LEU 49 3.233 1.249 5.845 407 HD11 LEU 49 1HD1 LEU 49 7.416 0.902 6.436 408 HD12 LEU 49 2HD1 LEU 49 6.275 0.066 7.490 409 HD13 LEU 49 3HD1 LEU 49 6.485 1.812 7.626 410 HD21 LEU 49 3HD2 LEU 49 5.137 -0.869 5.388 411 HD22 LEU 49 1HD2 LEU 49 6.324 0.005 4.418 412 HD23 LEU 49 2HD2 LEU 49 4.600 0.262 4.147 413 H ILE 50 H ILE 50 1.998 3.242 5.837 414 HA ILE 50 HA ILE 50 3.123 5.905 5.347 415 HB ILE 50 HB ILE 50 2.527 5.857 3.019 416 HG12 ILE 50 2HG1 ILE 50 1.639 2.985 3.345 417 HG13 ILE 50 1HG1 ILE 50 0.526 4.350 3.338 418 HG21 ILE 50 1HG2 ILE 50 4.036 4.112 2.140 419 HG22 ILE 50 2HG2 ILE 50 4.070 3.367 3.738 420 HG23 ILE 50 3HG2 ILE 50 4.731 4.985 3.507 421 HD11 ILE 50 3HD1 ILE 50 0.630 3.265 1.168 422 HD12 ILE 50 1HD1 ILE 50 2.366 3.574 1.088 423 HD13 ILE 50 2HD1 ILE 50 1.228 4.922 1.084 424 H THR 51 H THR 51 1.297 7.322 4.356 425 HA THR 51 HA THR 51 -1.188 6.604 5.745 426 HB THR 51 HB THR 51 -0.339 8.706 6.544 427 HG1 THR 51 HG1 THR 51 -2.220 9.687 6.418 428 HG21 THR 51 3HG2 THR 51 1.076 9.281 4.609 429 HG22 THR 51 1HG2 THR 51 0.057 10.629 5.122 430 HG23 THR 51 2HG2 THR 51 -0.372 9.692 3.695 431 H GLU 52 H GLU 52 -3.221 7.132 4.673 432 HA GLU 52 HA GLU 52 -3.430 5.966 2.150 433 HB2 GLU 52 2HB GLU 52 -5.268 6.247 3.841 434 HB3 GLU 52 1HB GLU 52 -5.376 7.934 3.364 435 HG2 GLU 52 2HG GLU 52 -5.845 7.141 1.028 436 HG3 GLU 52 1HG GLU 52 -5.972 5.508 1.687 437 H ARG 53 H ARG 53 -3.219 9.322 3.124 438 HA ARG 53 HA ARG 53 -3.751 10.490 0.612 439 HE ARG 53 HE ARG 53 -4.134 14.855 0.022 440 HB2 ARG 53 2HB ARG 53 -3.513 11.450 3.118 441 HB3 ARG 53 1HB ARG 53 -1.922 11.875 2.506 442 HG2 ARG 53 2HG ARG 53 -4.512 12.657 1.185 443 HG3 ARG 53 1HG ARG 53 -3.610 13.680 2.300 444 HD2 ARG 53 2HD ARG 53 -1.779 13.845 0.813 445 HD3 ARG 53 1HD ARG 53 -2.401 12.549 -0.208 446 HH11 ARG 53 1HH1 ARG 53 -1.466 13.417 -1.729 447 HH12 ARG 53 2HH1 ARG 53 -1.830 14.232 -3.221 448 HH21 ARG 53 1HH2 ARG 53 -4.618 15.929 -1.940 449 HH22 ARG 53 2HH2 ARG 53 -3.615 15.673 -3.332 450 H GLU 54 H GLU 54 -0.880 9.195 2.107 451 HA GLU 54 HA GLU 54 0.968 10.297 0.224 452 HB2 GLU 54 2HB GLU 54 1.769 9.710 2.421 453 HB3 GLU 54 1HB GLU 54 1.220 8.053 2.234 454 HG2 GLU 54 2HG GLU 54 2.883 7.622 0.565 455 HG3 GLU 54 1HG GLU 54 3.357 9.320 0.541 456 H ALA 55 H ALA 55 -0.815 7.281 0.547 457 HA ALA 55 HA ALA 55 0.547 5.864 -1.495 458 HB1 ALA 55 3HB ALA 55 -2.279 5.495 -0.496 459 HB2 ALA 55 1HB ALA 55 -0.837 4.758 0.201 460 HB3 ALA 55 2HB ALA 55 -1.345 4.326 -1.431 461 H LEU 56 H LEU 56 -2.457 7.750 -1.471 462 HA LEU 56 HA LEU 56 -3.079 7.486 -4.208 463 HG LEU 56 HG LEU 56 -4.455 7.815 -1.303 464 HB2 LEU 56 2HB LEU 56 -3.666 9.861 -2.439 465 HB3 LEU 56 1HB LEU 56 -4.538 9.382 -3.881 466 HD11 LEU 56 1HD1 LEU 56 -5.702 9.870 -1.040 467 HD12 LEU 56 2HD1 LEU 56 -6.800 8.491 -1.084 468 HD13 LEU 56 3HD1 LEU 56 -6.623 9.523 -2.502 469 HD21 LEU 56 3HD2 LEU 56 -4.717 6.395 -3.270 470 HD22 LEU 56 1HD2 LEU 56 -6.069 7.388 -3.811 471 HD23 LEU 56 2HD2 LEU 56 -6.202 6.456 -2.319 472 H ASP 57 H ASP 57 -0.994 9.628 -2.429 473 HA ASP 57 HA ASP 57 -0.453 11.523 -4.450 474 HB2 ASP 57 2HB ASP 57 -0.006 12.046 -2.145 475 HB3 ASP 57 1HB ASP 57 1.075 10.670 -1.986 476 H ARG 58 H ARG 58 1.560 8.847 -3.238 477 HA ARG 58 HA ARG 58 3.587 9.304 -5.164 478 HE ARG 58 HE ARG 58 4.262 4.277 -2.945 479 HB2 ARG 58 2HB ARG 58 4.570 7.175 -4.295 480 HB3 ARG 58 1HB ARG 58 4.215 8.372 -3.062 481 HG2 ARG 58 2HG ARG 58 2.110 7.141 -2.569 482 HG3 ARG 58 1HG ARG 58 2.656 5.885 -3.684 483 HD2 ARG 58 2HD ARG 58 4.416 6.804 -1.444 484 HD3 ARG 58 1HD ARG 58 3.137 5.630 -1.148 485 HH11 ARG 58 1HH1 ARG 58 6.088 6.586 -1.048 486 HH12 ARG 58 2HH1 ARG 58 7.560 5.667 -1.140 487 HH21 ARG 58 1HH2 ARG 58 6.183 3.078 -3.070 488 HH22 ARG 58 2HH2 ARG 58 7.622 3.681 -2.292 489 H TYR 59 H TYR 59 0.754 7.258 -5.224 490 HA TYR 59 HA TYR 59 1.840 5.916 -7.609 491 HD1 TYR 59 HD2 TYR 59 2.897 3.964 -7.112 492 HD2 TYR 59 HD1 TYR 59 0.181 4.095 -3.839 493 HE1 TYR 59 HE2 TYR 59 4.535 2.784 -5.707 494 HE2 TYR 59 HE1 TYR 59 1.818 2.926 -2.431 495 HH TYR 59 HH TYR 59 3.775 1.379 -2.781 496 HB2 TYR 59 2HB TYR 59 -0.438 5.065 -5.818 497 HB3 TYR 59 1HB TYR 59 0.128 4.183 -7.234 498 H SER 60 H SER 60 0.099 8.536 -7.022 499 HA SER 60 HA SER 60 -1.504 9.740 -8.093 500 HG SER 60 HG SER 60 1.100 9.009 -9.776 501 HB2 SER 60 2HB SER 60 -0.725 7.979 -10.436 502 HB3 SER 60 1HB SER 60 -1.576 9.521 -10.539 503 H LEU 61 H LEU 61 -2.678 8.022 -6.532 504 HA LEU 61 HA LEU 61 -4.630 6.503 -8.121 505 HG LEU 61 HG LEU 61 -2.162 5.246 -6.744 506 HB2 LEU 61 2HB LEU 61 -3.845 6.220 -5.221 507 HB3 LEU 61 1HB LEU 61 -5.088 5.278 -6.019 508 HD11 LEU 61 1HD1 LEU 61 -2.572 4.254 -4.562 509 HD12 LEU 61 2HD1 LEU 61 -2.167 3.015 -5.751 510 HD13 LEU 61 3HD1 LEU 61 -3.842 3.244 -5.251 511 HD21 LEU 61 3HD2 LEU 61 -3.618 4.770 -8.647 512 HD22 LEU 61 1HD2 LEU 61 -4.452 3.536 -7.701 513 HD23 LEU 61 2HD2 LEU 61 -2.754 3.326 -8.125 514 H SER 62 H SER 62 -6.800 6.658 -7.689 515 HA SER 62 HA SER 62 -7.646 8.949 -6.055 516 HG SER 62 HG SER 62 -7.807 8.555 -9.314 517 HB2 SER 62 2HB SER 62 -9.212 7.395 -8.139 518 HB3 SER 62 1HB SER 62 -9.750 8.852 -7.303 519 H GLU 63 H GLU 63 -9.670 8.613 -4.804 520 HA GLU 63 HA GLU 63 -9.322 6.522 -2.997 521 HB2 GLU 63 2HB GLU 63 -10.479 8.734 -2.624 522 HB3 GLU 63 1HB GLU 63 -11.879 8.053 -3.448 523 HG2 GLU 63 2HG GLU 63 -11.964 6.269 -1.789 524 HG3 GLU 63 1HG GLU 63 -10.597 7.002 -0.954 525 H GLU 64 H GLU 64 -11.408 6.827 -5.808 526 HA GLU 64 HA GLU 64 -13.061 4.634 -5.541 527 HB2 GLU 64 2HB GLU 64 -13.111 4.595 -8.026 528 HB3 GLU 64 1HB GLU 64 -13.325 6.205 -7.354 529 HG2 GLU 64 2HG GLU 64 -10.948 6.676 -7.798 530 HG3 GLU 64 1HG GLU 64 -10.795 5.085 -8.542 531 H GLU 65 H GLU 65 -9.673 4.726 -6.390 532 HA GLU 65 HA GLU 65 -9.569 1.960 -7.223 533 HB2 GLU 65 2HB GLU 65 -8.143 3.777 -8.201 534 HB3 GLU 65 1HB GLU 65 -7.326 3.915 -6.654 535 HG2 GLU 65 2HG GLU 65 -5.965 2.647 -8.143 536 HG3 GLU 65 1HG GLU 65 -6.575 1.573 -6.890 537 H PHE 66 H PHE 66 -8.154 3.893 -4.591 538 HA PHE 66 HA PHE 66 -6.939 1.761 -3.245 539 HD1 PHE 66 HD2 PHE 66 -4.574 2.761 -2.127 540 HD2 PHE 66 HD1 PHE 66 -7.972 3.669 0.268 541 HE1 PHE 66 HE2 PHE 66 -3.331 2.088 -0.118 542 HE2 PHE 66 HE1 PHE 66 -6.732 2.990 2.282 543 HZ PHE 66 HZ PHE 66 -4.409 2.201 2.091 544 HB2 PHE 66 2HB PHE 66 -6.427 4.201 -2.941 545 HB3 PHE 66 1HB PHE 66 -7.905 4.337 -1.995 546 H ALA 67 H ALA 67 -10.182 3.112 -2.968 547 HA ALA 67 HA ALA 67 -10.986 1.797 -0.628 548 HB1 ALA 67 3HB ALA 67 -13.275 2.140 -1.405 549 HB2 ALA 67 1HB ALA 67 -12.674 2.543 -3.013 550 HB3 ALA 67 2HB ALA 67 -12.296 3.588 -1.644 551 H LEU 68 H LEU 68 -10.958 0.751 -3.997 552 HA LEU 68 HA LEU 68 -12.312 -1.712 -3.563 553 HG LEU 68 HG LEU 68 -12.569 0.401 -5.804 554 HB2 LEU 68 2HB LEU 68 -10.452 -0.829 -5.769 555 HB3 LEU 68 1HB LEU 68 -11.325 -2.350 -5.777 556 HD11 LEU 68 1HD1 LEU 68 -11.516 -0.166 -7.915 557 HD12 LEU 68 2HD1 LEU 68 -13.272 -0.224 -8.071 558 HD13 LEU 68 3HD1 LEU 68 -12.348 -1.720 -7.935 559 HD21 LEU 68 3HD2 LEU 68 -13.850 -2.327 -5.938 560 HD22 LEU 68 1HD2 LEU 68 -14.684 -0.787 -6.138 561 HD23 LEU 68 2HD2 LEU 68 -13.952 -1.199 -4.588 562 H TRP 69 H TRP 69 -8.914 -0.744 -3.663 563 HA TRP 69 HA TRP 69 -7.716 -3.248 -3.501 564 HD1 TRP 69 HD1 TRP 69 -7.928 -1.391 -5.399 565 HE1 TRP 69 HE1 TRP 69 -6.445 -0.504 -7.300 566 HE3 TRP 69 HE3 TRP 69 -3.615 -0.674 -2.767 567 HZ2 TRP 69 HZ2 TRP 69 -3.783 0.369 -7.634 568 HZ3 TRP 69 HZ3 TRP 69 -1.644 0.190 -3.949 569 HH2 TRP 69 HH2 TRP 69 -1.727 0.697 -6.336 570 HB2 TRP 69 2HB TRP 69 -6.825 -0.644 -2.250 571 HB3 TRP 69 1HB TRP 69 -5.819 -2.082 -2.354 572 H ARG 70 H ARG 70 -8.740 -1.141 -0.801 573 HA ARG 70 HA ARG 70 -8.001 -3.069 1.153 574 HE ARG 70 HE ARG 70 -11.626 1.837 1.438 575 HB2 ARG 70 2HB ARG 70 -9.196 -1.607 2.759 576 HB3 ARG 70 1HB ARG 70 -7.991 -0.771 1.794 577 HG2 ARG 70 2HG ARG 70 -9.885 -0.011 0.308 578 HG3 ARG 70 1HG ARG 70 -10.979 -0.635 1.549 579 HD2 ARG 70 2HD ARG 70 -9.947 0.807 3.210 580 HD3 ARG 70 1HD ARG 70 -8.802 1.397 2.010 581 HH11 ARG 70 1HH1 ARG 70 -8.624 3.064 2.702 582 HH12 ARG 70 2HH1 ARG 70 -9.059 4.739 2.556 583 HH21 ARG 70 1HH2 ARG 70 -12.254 4.062 1.238 584 HH22 ARG 70 2HH2 ARG 70 -11.134 5.304 1.723 585 H SER 71 H SER 71 -10.888 -2.547 -0.701 586 HA SER 71 HA SER 71 -12.580 -4.122 0.997 587 HG SER 71 HG SER 71 -12.890 -1.532 -0.745 588 HB2 SER 71 2HB SER 71 -12.928 -3.411 -1.925 589 HB3 SER 71 1HB SER 71 -14.177 -4.055 -0.861 590 H ALA 72 H ALA 72 -10.314 -4.757 -1.554 591 HA ALA 72 HA ALA 72 -11.256 -7.491 -1.898 592 HB1 ALA 72 3HB ALA 72 -8.937 -6.066 -3.196 593 HB2 ALA 72 1HB ALA 72 -10.560 -6.214 -3.866 594 HB3 ALA 72 2HB ALA 72 -9.565 -7.653 -3.640 595 H VAL 73 H VAL 73 -8.333 -5.816 -0.751 596 HA VAL 73 HA VAL 73 -7.023 -8.305 -0.128 597 HB VAL 73 HB VAL 73 -6.184 -5.467 0.488 598 HG11 VAL 73 1HG1 VAL 73 -4.614 -8.040 0.627 599 HG12 VAL 73 2HG1 VAL 73 -5.113 -7.044 1.995 600 HG13 VAL 73 3HG1 VAL 73 -3.947 -6.421 0.827 601 HG21 VAL 73 3HG2 VAL 73 -6.338 -5.866 -1.902 602 HG22 VAL 73 1HG2 VAL 73 -5.371 -7.333 -1.742 603 HG23 VAL 73 2HG2 VAL 73 -4.647 -5.758 -1.412 604 H ALA 74 H ALA 74 -8.282 -5.573 1.795 605 HA ALA 74 HA ALA 74 -7.572 -6.867 4.264 606 HB1 ALA 74 3HB ALA 74 -8.570 -4.931 5.347 607 HB2 ALA 74 1HB ALA 74 -9.236 -4.397 3.802 608 HB3 ALA 74 2HB ALA 74 -7.489 -4.434 4.046 609 H ALA 75 H ALA 75 -10.031 -7.358 2.135 610 HA ALA 75 HA ALA 75 -11.693 -8.534 4.259 611 HB1 ALA 75 3HB ALA 75 -12.685 -7.355 1.664 612 HB2 ALA 75 1HB ALA 75 -12.835 -6.609 3.255 613 HB3 ALA 75 2HB ALA 75 -13.675 -8.120 2.906 614 H HIS 76 H HIS 76 -9.452 -9.474 2.444 615 HA HIS 76 HA HIS 76 -10.600 -11.383 0.657 616 HD1 HIS 76 HD1 HIS 76 -8.506 -12.441 -1.615 617 HD2 HIS 76 HD2 HIS 76 -7.315 -13.868 2.108 618 HE1 HIS 76 HE1 HIS 76 -7.691 -14.786 -2.011 619 HE2 HIS 76 HE2 HIS 76 -7.218 -15.705 0.294 620 HB2 HIS 76 2HB HIS 76 -8.350 -10.621 0.227 621 HB3 HIS 76 1HB HIS 76 -7.820 -11.126 1.824 622 H GLY 77 H GLY 77 -11.789 -13.019 1.347 623 HA2 GLY 77 2HA GLY 77 -10.777 -14.625 3.581 624 HA3 GLY 77 1HA GLY 77 -12.416 -13.997 3.675 625 H GLU 78 H GLU 78 -10.277 -16.250 2.098 626 HA GLU 78 HA GLU 78 -12.375 -17.475 0.540 627 HB2 GLU 78 2HB GLU 78 -10.719 -19.289 0.173 628 HB3 GLU 78 1HB GLU 78 -10.077 -17.701 -0.219 629 HG2 GLU 78 2HG GLU 78 -9.598 -18.888 2.476 630 HG3 GLU 78 1HG GLU 78 -8.622 -19.389 1.099 631 H LYS 79 H LYS 79 -11.384 -17.438 3.732 632 HA LYS 79 HA LYS 79 -12.358 -20.076 4.423 633 HB2 LYS 79 2HB LYS 79 -11.302 -17.842 6.173 634 HB3 LYS 79 1HB LYS 79 -11.603 -19.500 6.682 635 HG2 LYS 79 2HG LYS 79 -9.847 -20.337 5.358 636 HG3 LYS 79 1HG LYS 79 -9.692 -18.819 4.474 637 HD2 LYS 79 2HD LYS 79 -8.913 -17.720 6.522 638 HD3 LYS 79 1HD LYS 79 -9.056 -19.249 7.394 639 HE2 LYS 79 2HE LYS 79 -7.369 -20.258 6.021 640 HE3 LYS 79 1HE LYS 79 -7.324 -18.851 4.962 641 HZ1 LYS 79 3HZ LYS 79 -5.466 -18.939 6.548 642 HZ2 LYS 79 1HZ LYS 79 -6.567 -18.810 7.832 643 HZ3 LYS 79 2HZ LYS 79 -6.405 -17.538 6.721 644 H ALA 80 H ALA 80 -13.063 -16.749 5.535 645 HA ALA 80 HA ALA 80 -15.878 -17.068 5.276 646 HB1 ALA 80 3HB ALA 80 -15.576 -18.445 7.279 647 HB2 ALA 80 1HB ALA 80 -16.486 -16.978 7.643 648 HB3 ALA 80 2HB ALA 80 -14.784 -17.093 8.090 649 H LEU 81 H LEU 81 -17.050 -15.144 5.914 650 HA LEU 81 HA LEU 81 -15.400 -12.843 6.662 651 HG LEU 81 HG LEU 81 -14.505 -12.430 4.427 652 HB2 LEU 81 2HB LEU 81 -17.458 -12.889 4.451 653 HB3 LEU 81 1HB LEU 81 -16.824 -11.416 5.152 654 HD11 LEU 81 1HD1 LEU 81 -15.365 -14.584 3.705 655 HD12 LEU 81 2HD1 LEU 81 -14.672 -13.702 2.344 656 HD13 LEU 81 3HD1 LEU 81 -16.422 -13.790 2.538 657 HD21 LEU 81 3HD2 LEU 81 -14.725 -11.254 2.283 658 HD22 LEU 81 1HD2 LEU 81 -15.425 -10.335 3.616 659 HD23 LEU 81 2HD2 LEU 81 -16.475 -11.205 2.497 660 H LYS 82 H LYS 82 -16.435 -13.762 8.682 661 HA LYS 82 HA LYS 82 -19.197 -13.341 9.179 662 HB2 LYS 82 2HB LYS 82 -17.531 -14.786 10.474 663 HB3 LYS 82 1HB LYS 82 -16.972 -13.299 11.216 664 HG2 LYS 82 2HG LYS 82 -19.158 -12.925 12.183 665 HG3 LYS 82 1HG LYS 82 -19.776 -14.373 11.381 666 HD2 LYS 82 2HD LYS 82 -18.059 -15.702 12.598 667 HD3 LYS 82 1HD LYS 82 -17.620 -14.243 13.485 668 HE2 LYS 82 2HE LYS 82 -19.876 -14.097 14.387 669 HE3 LYS 82 1HE LYS 82 -20.347 -15.529 13.470 670 HZ1 LYS 82 3HZ LYS 82 -18.346 -15.398 15.659 671 HZ2 LYS 82 1HZ LYS 82 -18.635 -16.772 14.708 672 HZ3 LYS 82 2HZ LYS 82 -19.859 -16.164 15.705 673 H VAL 83 H VAL 83 -20.228 -11.536 10.149 674 HA VAL 83 HA VAL 83 -19.441 -9.077 9.184 675 HB VAL 83 HB VAL 83 -21.741 -9.540 9.840 676 HG11 VAL 83 1HG1 VAL 83 -20.756 -9.341 12.678 677 HG12 VAL 83 2HG1 VAL 83 -21.360 -10.793 11.880 678 HG13 VAL 83 3HG1 VAL 83 -22.445 -9.435 12.180 679 HG21 VAL 83 3HG2 VAL 83 -22.252 -7.379 10.925 680 HG22 VAL 83 1HG2 VAL 83 -21.119 -7.230 9.581 681 HG23 VAL 83 2HG2 VAL 83 -20.531 -7.164 11.242 682 H THR 84 H THR 84 -18.839 -10.385 12.413 683 HA THR 84 HA THR 84 -17.490 -8.032 13.356 684 HB THR 84 HB THR 84 -17.368 -10.844 14.422 685 HG1 THR 84 HG1 THR 84 -19.150 -8.874 15.389 686 HG21 THR 84 3HG2 THR 84 -15.716 -9.325 15.409 687 HG22 THR 84 1HG2 THR 84 -16.960 -9.745 16.588 688 HG23 THR 84 2HG2 THR 84 -16.995 -8.174 15.791 689 H MET 85 H MET 85 -16.632 -10.947 11.703 690 HA MET 85 HA MET 85 -13.888 -11.078 12.396 691 HB2 MET 85 2HB MET 85 -15.564 -12.837 11.299 692 HB3 MET 85 1HB MET 85 -14.894 -12.185 9.815 693 HG2 MET 85 2HG MET 85 -12.680 -12.838 10.452 694 HG3 MET 85 1HG MET 85 -13.247 -13.350 12.042 695 HE1 MET 85 3HE MET 85 -12.185 -15.736 11.838 696 HE2 MET 85 1HE MET 85 -11.496 -15.276 10.284 697 HE3 MET 85 2HE MET 85 -12.388 -16.790 10.439 698 H ILE 86 H ILE 86 -15.695 -9.530 9.812 699 HA ILE 86 HA ILE 86 -13.565 -8.907 8.089 700 HB ILE 86 HB ILE 86 -16.109 -7.334 8.536 701 HG12 ILE 86 2HG1 ILE 86 -16.030 -8.882 6.108 702 HG13 ILE 86 1HG1 ILE 86 -15.738 -9.930 7.495 703 HG21 ILE 86 1HG2 ILE 86 -15.730 -6.463 6.277 704 HG22 ILE 86 2HG2 ILE 86 -14.193 -7.327 6.205 705 HG23 ILE 86 3HG2 ILE 86 -14.420 -6.023 7.372 706 HD11 ILE 86 3HD1 ILE 86 -17.781 -9.213 8.527 707 HD12 ILE 86 1HD1 ILE 86 -18.112 -9.773 6.885 708 HD13 ILE 86 2HD1 ILE 86 -18.064 -8.043 7.232 709 H GLN 87 H GLN 87 -14.939 -7.139 10.832 710 HA GLN 87 HA GLN 87 -13.427 -4.801 10.596 711 HB2 GLN 87 2HB GLN 87 -15.328 -4.973 12.118 712 HB3 GLN 87 1HB GLN 87 -14.469 -6.160 13.090 713 HG2 GLN 87 2HG GLN 87 -12.774 -4.461 13.622 714 HG3 GLN 87 1HG GLN 87 -13.704 -3.276 12.707 715 HE21 GLN 87 1HE2 GLN 87 -15.634 -2.500 13.547 716 HE22 GLN 87 2HE2 GLN 87 -16.073 -2.726 15.206 717 H LYS 88 H LYS 88 -12.756 -7.842 12.266 718 HA LYS 88 HA LYS 88 -10.111 -6.889 12.985 719 HB2 LYS 88 2HB LYS 88 -11.650 -9.370 13.711 720 HB3 LYS 88 1HB LYS 88 -9.958 -9.141 14.147 721 HG2 LYS 88 2HG LYS 88 -10.557 -7.077 15.327 722 HG3 LYS 88 1HG LYS 88 -12.249 -7.349 14.927 723 HD2 LYS 88 2HD LYS 88 -12.297 -9.352 16.257 724 HD3 LYS 88 1HD LYS 88 -10.555 -9.251 16.539 725 HE2 LYS 88 2HE LYS 88 -10.841 -7.180 17.762 726 HE3 LYS 88 1HE LYS 88 -12.567 -7.180 17.411 727 HZ1 LYS 88 3HZ LYS 88 -11.190 -9.291 18.981 728 HZ2 LYS 88 1HZ LYS 88 -12.863 -9.107 18.762 729 HZ3 LYS 88 2HZ LYS 88 -11.993 -7.964 19.669 730 H TYR 89 H TYR 89 -11.241 -7.868 10.214 731 HA TYR 89 HA TYR 89 -8.835 -9.326 9.447 732 HD1 TYR 89 HD2 TYR 89 -8.945 -11.088 8.862 733 HD2 TYR 89 HD1 TYR 89 -12.670 -10.079 7.079 734 HE1 TYR 89 HE2 TYR 89 -9.562 -13.464 8.818 735 HE2 TYR 89 HE1 TYR 89 -13.297 -12.453 7.027 736 HH TYR 89 HH TYR 89 -12.417 -14.581 7.143 737 HB2 TYR 89 2HB TYR 89 -11.285 -8.386 7.981 738 HB3 TYR 89 1HB TYR 89 -9.826 -8.760 7.078 739 H ARG 90 H ARG 90 -10.460 -6.274 8.743 740 HA ARG 90 HA ARG 90 -8.274 -5.118 7.352 741 HE ARG 90 HE ARG 90 -13.311 -5.073 5.703 742 HB2 ARG 90 2HB ARG 90 -10.563 -3.660 8.675 743 HB3 ARG 90 1HB ARG 90 -9.578 -3.098 7.334 744 HG2 ARG 90 2HG ARG 90 -10.510 -4.888 5.925 745 HG3 ARG 90 1HG ARG 90 -11.533 -5.392 7.274 746 HD2 ARG 90 2HD ARG 90 -12.493 -3.083 7.297 747 HD3 ARG 90 1HD ARG 90 -11.593 -2.753 5.818 748 HH11 ARG 90 1HH1 ARG 90 -13.011 -1.635 5.118 749 HH12 ARG 90 2HH1 ARG 90 -14.409 -1.560 4.080 750 HH21 ARG 90 1HH2 ARG 90 -15.153 -4.974 4.311 751 HH22 ARG 90 2HH2 ARG 90 -15.600 -3.449 3.613 752 H GLN 91 H GLN 91 -9.107 -5.367 10.694 753 HA GLN 91 HA GLN 91 -6.977 -3.450 11.373 754 HB2 GLN 91 2HB GLN 91 -9.601 -3.872 12.824 755 HB3 GLN 91 1HB GLN 91 -8.299 -2.826 13.372 756 HG2 GLN 91 2HG GLN 91 -9.696 -2.469 10.736 757 HG3 GLN 91 1HG GLN 91 -10.219 -1.687 12.227 758 HE21 GLN 91 1HE2 GLN 91 -7.688 -1.868 9.815 759 HE22 GLN 91 2HE2 GLN 91 -6.940 -0.363 10.221 760 H LEU 92 H LEU 92 -7.074 -6.421 11.056 761 HA LEU 92 HA LEU 92 -7.086 -7.805 13.460 762 HG LEU 92 HG LEU 92 -7.155 -10.180 12.685 763 HB2 LEU 92 2HB LEU 92 -6.685 -8.523 10.926 764 HB3 LEU 92 1HB LEU 92 -5.007 -8.470 11.424 765 HD11 LEU 92 1HD1 LEU 92 -6.580 -10.949 10.462 766 HD12 LEU 92 2HD1 LEU 92 -5.933 -12.049 11.677 767 HD13 LEU 92 3HD1 LEU 92 -4.865 -10.903 10.866 768 HD21 LEU 92 3HD2 LEU 92 -5.319 -11.235 13.897 769 HD22 LEU 92 1HD2 LEU 92 -5.456 -9.522 14.294 770 HD23 LEU 92 2HD2 LEU 92 -4.189 -10.074 13.199 771 H HIS 93 H HIS 93 -4.187 -6.566 11.787 772 HA HIS 93 HA HIS 93 -2.929 -6.242 14.423 773 HD1 HIS 93 HD1 HIS 93 0.078 -8.188 14.279 774 HD2 HIS 93 HD2 HIS 93 0.013 -4.160 13.260 775 HE1 HIS 93 HE1 HIS 93 2.079 -7.166 15.412 776 HE2 HIS 93 HE2 HIS 93 1.841 -4.689 14.998 777 HB2 HIS 93 2HB HIS 93 -1.737 -7.656 12.677 778 HB3 HIS 93 1HB HIS 93 -1.524 -6.179 11.743 779 H HIS 94 H HIS 94 -4.007 -4.334 14.902 780 HA HIS 94 HA HIS 94 -3.780 -2.094 13.044 781 HD1 HIS 94 HD1 HIS 94 -5.989 -0.178 16.603 782 HD2 HIS 94 HD2 HIS 94 -5.312 0.059 12.504 783 HE1 HIS 94 HE1 HIS 94 -6.475 2.205 15.968 784 HE2 HIS 94 HE2 HIS 94 -6.301 2.254 13.459 785 HB2 HIS 94 2HB HIS 94 -5.955 -2.558 14.093 786 HB3 HIS 94 1HB HIS 94 -5.242 -2.325 15.685 787 H HIS 95 H HIS 95 -2.308 -3.324 15.877 788 HA HIS 95 HA HIS 95 -0.632 -0.933 15.986 789 HD1 HIS 95 HD1 HIS 95 -0.645 -2.967 20.100 790 HD2 HIS 95 HD2 HIS 95 -4.145 -2.695 17.871 791 HE1 HIS 95 HE1 HIS 95 -2.228 -4.646 21.112 792 HE2 HIS 95 HE2 HIS 95 -4.357 -4.439 19.773 793 HB2 HIS 95 2HB HIS 95 -0.590 -1.075 18.495 794 HB3 HIS 95 1HB HIS 95 -2.127 -0.561 17.818 Start of MODEL 18 1 HA MET 1 HA MET 1 13.201 12.086 4.573 2 H1 MET 1 1H MET 1 12.008 14.106 4.336 3 H2 MET 1 2H MET 1 12.101 13.382 2.810 4 H3 MET 1 3H MET 1 13.100 14.696 3.186 5 HB2 MET 1 2HB MET 1 14.926 13.196 2.350 6 HB3 MET 1 1HB MET 1 15.353 11.790 3.317 7 HG2 MET 1 2HG MET 1 12.933 12.049 1.547 8 HG3 MET 1 1HG MET 1 14.400 11.144 1.180 9 HE1 MET 1 3HE MET 1 12.887 9.009 0.656 10 HE2 MET 1 1HE MET 1 11.435 9.918 1.062 11 HE3 MET 1 2HE MET 1 11.719 8.334 1.790 12 H TYR 2 H TYR 2 15.767 12.000 5.223 13 HA TYR 2 HA TYR 2 17.274 12.655 6.771 14 HD1 TYR 2 HD2 TYR 2 19.748 13.826 6.019 15 HD2 TYR 2 HD1 TYR 2 16.554 15.295 3.625 16 HE1 TYR 2 HE2 TYR 2 21.146 13.577 4.013 17 HE2 TYR 2 HE1 TYR 2 17.941 15.041 1.611 18 HH TYR 2 HH TYR 2 20.351 14.943 1.018 19 HB2 TYR 2 2HB TYR 2 16.428 15.457 6.000 20 HB3 TYR 2 1HB TYR 2 17.815 15.065 7.013 21 H LEU 3 H LEU 3 15.087 15.371 7.372 22 HA LEU 3 HA LEU 3 13.927 13.862 9.603 23 HG LEU 3 HG LEU 3 15.582 14.353 11.252 24 HB2 LEU 3 2HB LEU 3 14.797 16.751 9.646 25 HB3 LEU 3 1HB LEU 3 13.660 16.084 10.801 26 HD11 LEU 3 1HD1 LEU 3 17.804 15.337 11.026 27 HD12 LEU 3 2HD1 LEU 3 17.109 16.708 10.161 28 HD13 LEU 3 3HD1 LEU 3 17.039 15.094 9.456 29 HD21 LEU 3 3HD2 LEU 3 15.665 17.201 12.236 30 HD22 LEU 3 1HD2 LEU 3 16.433 15.818 13.018 31 HD23 LEU 3 2HD2 LEU 3 14.677 15.897 12.893 32 H LYS 4 H LYS 4 13.116 17.158 8.824 33 HA LYS 4 HA LYS 4 11.354 18.179 7.867 34 HB2 LYS 4 2HB LYS 4 12.089 16.694 5.916 35 HB3 LYS 4 1HB LYS 4 10.793 15.606 6.383 36 HG2 LYS 4 2HG LYS 4 10.332 18.494 5.675 37 HG3 LYS 4 1HG LYS 4 10.296 17.191 4.491 38 HD2 LYS 4 2HD LYS 4 8.543 16.099 5.965 39 HD3 LYS 4 1HD LYS 4 8.464 17.631 6.834 40 HE2 LYS 4 2HE LYS 4 7.930 17.216 3.897 41 HE3 LYS 4 1HE LYS 4 6.719 17.493 5.143 42 HZ1 LYS 4 3HZ LYS 4 7.588 19.691 5.505 43 HZ2 LYS 4 1HZ LYS 4 7.267 19.493 3.852 44 HZ3 LYS 4 2HZ LYS 4 8.862 19.421 4.420 45 H ARG 5 H ARG 5 10.128 14.875 7.928 46 HA ARG 5 HA ARG 5 8.596 14.843 10.189 47 HE ARG 5 HE ARG 5 3.411 14.673 9.147 48 HB2 ARG 5 2HB ARG 5 7.346 16.744 9.589 49 HB3 ARG 5 1HB ARG 5 7.275 16.268 7.899 50 HG2 ARG 5 2HG ARG 5 5.723 14.476 8.454 51 HG3 ARG 5 1HG ARG 5 5.841 14.890 10.165 52 HD2 ARG 5 2HD ARG 5 4.858 17.066 9.732 53 HD3 ARG 5 1HD ARG 5 4.806 16.718 8.003 54 HH11 ARG 5 1HH1 ARG 5 3.146 18.161 9.280 55 HH12 ARG 5 2HH1 ARG 5 1.416 18.144 9.481 56 HH21 ARG 5 1HH2 ARG 5 1.165 14.638 9.391 57 HH22 ARG 5 2HH2 ARG 5 0.279 16.132 9.515 58 H VAL 6 H VAL 6 7.871 12.797 10.361 59 HA VAL 6 HA VAL 6 7.506 11.290 7.849 60 HB VAL 6 HB VAL 6 8.279 9.988 10.450 61 HG11 VAL 6 1HG1 VAL 6 8.561 9.160 7.563 62 HG12 VAL 6 2HG1 VAL 6 7.383 8.541 8.721 63 HG13 VAL 6 3HG1 VAL 6 9.102 8.218 8.953 64 HG21 VAL 6 3HG2 VAL 6 10.619 9.994 9.708 65 HG22 VAL 6 1HG2 VAL 6 10.019 11.628 9.986 66 HG23 VAL 6 2HG2 VAL 6 10.178 11.014 8.339 67 H ASP 7 H ASP 7 5.541 10.475 7.540 68 HA ASP 7 HA ASP 7 3.466 11.026 9.402 69 HB2 ASP 7 2HB ASP 7 2.012 9.808 7.756 70 HB3 ASP 7 1HB ASP 7 2.936 11.140 7.075 71 H GLY 8 H GLY 8 5.178 8.073 8.501 72 HA2 GLY 8 2HA GLY 8 3.938 6.774 10.829 73 HA3 GLY 8 1HA GLY 8 3.920 5.958 9.271 74 HA PRO 9 HA PRO 9 7.861 4.817 11.578 75 HB2 PRO 9 2HB PRO 9 6.915 2.080 11.050 76 HB3 PRO 9 1HB PRO 9 7.487 2.796 12.561 77 HG2 PRO 9 2HG PRO 9 4.898 2.188 12.172 78 HG3 PRO 9 1HG PRO 9 5.399 3.593 13.130 79 HD2 PRO 9 2HD PRO 9 4.403 3.479 10.308 80 HD3 PRO 9 1HD PRO 9 4.028 4.650 11.592 81 H ARG 10 H ARG 10 9.628 3.505 10.651 82 HA ARG 10 HA ARG 10 9.740 3.812 7.806 83 HE ARG 10 HE ARG 10 13.662 4.398 7.358 84 HB2 ARG 10 2HB ARG 10 11.694 2.526 9.724 85 HB3 ARG 10 1HB ARG 10 12.017 2.854 8.026 86 HG2 ARG 10 2HG ARG 10 11.667 5.261 8.466 87 HG3 ARG 10 1HG ARG 10 11.469 4.886 10.178 88 HD2 ARG 10 2HD ARG 10 13.728 5.624 9.776 89 HD3 ARG 10 1HD ARG 10 13.736 3.912 10.198 90 HH11 ARG 10 1HH1 ARG 10 15.769 4.146 10.142 91 HH12 ARG 10 2HH1 ARG 10 17.144 3.623 9.222 92 HH21 ARG 10 1HH2 ARG 10 15.474 3.716 6.136 93 HH22 ARG 10 2HH2 ARG 10 16.968 3.358 6.946 94 H GLN 11 H GLN 11 9.058 1.186 9.981 95 HA GLN 11 HA GLN 11 8.221 -0.436 7.759 96 HB2 GLN 11 2HB GLN 11 9.524 -2.432 8.505 97 HB3 GLN 11 1HB GLN 11 10.496 -1.154 7.796 98 HG2 GLN 11 2HG GLN 11 11.219 -0.440 9.993 99 HG3 GLN 11 1HG GLN 11 10.173 -1.641 10.751 100 HE21 GLN 11 1HE2 GLN 11 11.916 -2.326 7.821 101 HE22 GLN 11 2HE2 GLN 11 13.054 -3.430 8.517 102 H VAL 12 H VAL 12 6.757 -2.010 8.271 103 HA VAL 12 HA VAL 12 5.951 -2.190 11.102 104 HB VAL 12 HB VAL 12 3.600 -2.481 10.312 105 HG11 VAL 12 1HG1 VAL 12 3.178 -0.102 9.940 106 HG12 VAL 12 2HG1 VAL 12 4.889 0.150 9.592 107 HG13 VAL 12 3HG1 VAL 12 4.382 -0.344 11.208 108 HG21 VAL 12 3HG2 VAL 12 3.003 -1.711 8.067 109 HG22 VAL 12 1HG2 VAL 12 4.057 -3.126 8.009 110 HG23 VAL 12 2HG2 VAL 12 4.714 -1.522 7.679 111 H THR 13 H THR 13 4.516 -4.154 11.477 112 HA THR 13 HA THR 13 5.755 -6.438 10.088 113 HB THR 13 HB THR 13 4.306 -6.508 12.740 114 HG1 THR 13 HG1 THR 13 6.471 -5.194 12.312 115 HG21 THR 13 3HG2 THR 13 6.341 -8.368 11.493 116 HG22 THR 13 1HG2 THR 13 4.609 -8.676 11.614 117 HG23 THR 13 2HG2 THR 13 5.593 -8.570 13.077 118 H LEU 14 H LEU 14 4.529 -7.965 9.102 119 HA LEU 14 HA LEU 14 1.690 -7.412 8.737 120 HG LEU 14 HG LEU 14 2.961 -8.362 5.343 121 HB2 LEU 14 2HB LEU 14 3.535 -9.461 7.497 122 HB3 LEU 14 1HB LEU 14 1.819 -9.385 7.164 123 HD11 LEU 14 1HD1 LEU 14 0.911 -7.248 6.003 124 HD12 LEU 14 2HD1 LEU 14 2.080 -6.085 5.378 125 HD13 LEU 14 3HD1 LEU 14 1.811 -6.221 7.115 126 HD21 LEU 14 3HD2 LEU 14 5.074 -7.897 6.485 127 HD22 LEU 14 1HD2 LEU 14 4.304 -6.558 7.338 128 HD23 LEU 14 2HD2 LEU 14 4.482 -6.502 5.586 129 HA PRO 15 HA PRO 15 0.343 -10.633 11.571 130 HB2 PRO 15 2HB PRO 15 -1.951 -11.002 9.770 131 HB3 PRO 15 1HB PRO 15 -1.928 -10.471 11.454 132 HG2 PRO 15 2HG PRO 15 -2.510 -8.800 9.409 133 HG3 PRO 15 1HG PRO 15 -1.697 -8.250 10.886 134 HD2 PRO 15 2HD PRO 15 -0.552 -8.830 8.189 135 HD3 PRO 15 1HD PRO 15 -0.127 -7.554 9.347 136 H ASP 16 H ASP 16 0.988 -10.887 8.260 137 HA ASP 16 HA ASP 16 0.626 -13.729 7.997 138 HB2 ASP 16 2HB ASP 16 2.227 -11.881 6.212 139 HB3 ASP 16 1HB ASP 16 1.537 -13.442 5.788 140 H GLY 17 H GLY 17 2.856 -11.770 9.510 141 HA2 GLY 17 2HA GLY 17 4.768 -12.414 10.670 142 HA3 GLY 17 1HA GLY 17 4.752 -13.943 9.807 143 H THR 18 H THR 18 4.740 -10.664 8.534 144 HA THR 18 HA THR 18 7.372 -11.143 7.313 145 HB THR 18 HB THR 18 5.074 -9.812 5.857 146 HG1 THR 18 HG1 THR 18 5.966 -12.508 5.516 147 HG21 THR 18 3HG2 THR 18 7.671 -11.004 4.873 148 HG22 THR 18 1HG2 THR 18 7.304 -9.286 5.005 149 HG23 THR 18 2HG2 THR 18 6.417 -10.291 3.862 150 H VAL 19 H VAL 19 8.316 -9.010 6.492 151 HA VAL 19 HA VAL 19 7.517 -6.790 8.258 152 HB VAL 19 HB VAL 19 10.244 -7.334 7.058 153 HG11 VAL 19 1HG1 VAL 19 9.809 -4.943 7.252 154 HG12 VAL 19 2HG1 VAL 19 11.005 -5.457 8.445 155 HG13 VAL 19 3HG1 VAL 19 9.340 -5.154 8.941 156 HG21 VAL 19 3HG2 VAL 19 10.946 -7.721 9.386 157 HG22 VAL 19 1HG2 VAL 19 9.731 -8.886 8.857 158 HG23 VAL 19 2HG2 VAL 19 9.269 -7.547 9.907 159 H LEU 20 H LEU 20 6.922 -4.917 7.348 160 HA LEU 20 HA LEU 20 7.385 -4.581 4.460 161 HG LEU 20 HG LEU 20 5.204 -2.111 4.542 162 HB2 LEU 20 2HB LEU 20 5.083 -5.115 4.728 163 HB3 LEU 20 1HB LEU 20 4.909 -4.009 6.074 164 HD11 LEU 20 1HD1 LEU 20 6.589 -3.175 2.847 165 HD12 LEU 20 2HD1 LEU 20 5.134 -2.500 2.115 166 HD13 LEU 20 3HD1 LEU 20 5.254 -4.236 2.397 167 HD21 LEU 20 3HD2 LEU 20 3.063 -4.065 3.713 168 HD22 LEU 20 1HD2 LEU 20 3.045 -2.326 3.425 169 HD23 LEU 20 2HD2 LEU 20 2.977 -2.946 5.074 170 H SER 21 H SER 21 8.998 -3.135 4.454 171 HA SER 21 HA SER 21 8.834 -0.780 6.149 172 HG SER 21 HG SER 21 11.128 -3.125 5.255 173 HB2 SER 21 2HB SER 21 10.939 -1.324 4.067 174 HB3 SER 21 1HB SER 21 11.061 -0.325 5.513 175 H ARG 22 H ARG 22 9.189 1.376 5.093 176 HA ARG 22 HA ARG 22 7.252 1.837 3.087 177 HE ARG 22 HE ARG 22 7.711 6.260 3.713 178 HB2 ARG 22 2HB ARG 22 9.503 3.621 4.034 179 HB3 ARG 22 1HB ARG 22 8.165 4.144 3.020 180 HG2 ARG 22 2HG ARG 22 6.593 3.565 4.802 181 HG3 ARG 22 1HG ARG 22 7.942 3.071 5.825 182 HD2 ARG 22 2HD ARG 22 7.275 5.282 6.458 183 HD3 ARG 22 1HD ARG 22 8.839 5.382 5.652 184 HH11 ARG 22 1HH1 ARG 22 5.720 5.994 6.578 185 HH12 ARG 22 2HH1 ARG 22 4.619 7.257 6.097 186 HH21 ARG 22 1HH2 ARG 22 6.251 7.952 3.077 187 HH22 ARG 22 2HH2 ARG 22 4.956 8.389 4.148 188 H ALA 23 H ALA 23 10.480 0.807 2.913 189 HA ALA 23 HA ALA 23 10.757 1.567 0.107 190 HB1 ALA 23 3HB ALA 23 13.052 0.788 0.308 191 HB2 ALA 23 1HB ALA 23 12.732 0.229 1.949 192 HB3 ALA 23 2HB ALA 23 12.670 1.952 1.576 193 H ASP 24 H ASP 24 9.445 -0.945 1.844 194 HA ASP 24 HA ASP 24 10.256 -3.027 -0.044 195 HB2 ASP 24 2HB ASP 24 8.732 -3.080 2.549 196 HB3 ASP 24 1HB ASP 24 8.683 -4.451 1.448 197 H LEU 25 H LEU 25 8.084 -0.631 0.031 198 HA LEU 25 HA LEU 25 5.713 -1.853 -0.904 199 HG LEU 25 HG LEU 25 5.975 0.205 1.117 200 HB2 LEU 25 2HB LEU 25 6.830 0.933 -1.148 201 HB3 LEU 25 1HB LEU 25 5.267 0.484 -1.806 202 HD11 LEU 25 1HD1 LEU 25 6.076 2.557 0.419 203 HD12 LEU 25 2HD1 LEU 25 4.702 2.240 1.478 204 HD13 LEU 25 3HD1 LEU 25 4.454 2.413 -0.261 205 HD21 LEU 25 3HD2 LEU 25 3.552 0.052 1.387 206 HD22 LEU 25 1HD2 LEU 25 4.168 -1.236 0.350 207 HD23 LEU 25 2HD2 LEU 25 3.347 0.157 -0.361 208 HA PRO 26 HA PRO 26 6.538 -2.773 -5.180 209 HB2 PRO 26 2HB PRO 26 4.299 -1.648 -6.364 210 HB3 PRO 26 1HB PRO 26 4.339 -3.251 -5.626 211 HG2 PRO 26 2HG PRO 26 3.379 -0.658 -4.491 212 HG3 PRO 26 1HG PRO 26 2.679 -2.280 -4.332 213 HD2 PRO 26 2HD PRO 26 4.084 -1.175 -2.345 214 HD3 PRO 26 1HD PRO 26 4.207 -2.911 -2.699 215 HA PRO 27 HA PRO 27 8.567 0.697 -7.006 216 HB2 PRO 27 2HB PRO 27 8.061 0.222 -9.683 217 HB3 PRO 27 1HB PRO 27 9.345 -0.554 -8.749 218 HG2 PRO 27 2HG PRO 27 6.601 -1.559 -9.413 219 HG3 PRO 27 1HG PRO 27 8.155 -2.430 -9.442 220 HD2 PRO 27 2HD PRO 27 6.459 -2.758 -7.419 221 HD3 PRO 27 1HD PRO 27 8.207 -2.646 -7.112 222 H LEU 28 H LEU 28 8.166 2.738 -7.774 223 HA LEU 28 HA LEU 28 5.544 3.726 -7.481 224 HG LEU 28 HG LEU 28 8.349 4.407 -6.328 225 HB2 LEU 28 2HB LEU 28 7.977 5.043 -8.681 226 HB3 LEU 28 1HB LEU 28 6.507 5.876 -8.215 227 HD11 LEU 28 1HD1 LEU 28 8.939 6.626 -5.510 228 HD12 LEU 28 2HD1 LEU 28 7.923 7.363 -6.749 229 HD13 LEU 28 3HD1 LEU 28 9.356 6.446 -7.214 230 HD21 LEU 28 3HD2 LEU 28 6.032 4.360 -5.591 231 HD22 LEU 28 1HD2 LEU 28 5.915 6.107 -5.803 232 HD23 LEU 28 2HD2 LEU 28 6.991 5.439 -4.575 233 H ASP 29 H ASP 29 7.281 2.569 -10.227 234 HA ASP 29 HA ASP 29 5.436 3.837 -12.093 235 HB2 ASP 29 2HB ASP 29 7.892 3.807 -12.566 236 HB3 ASP 29 1HB ASP 29 7.799 2.053 -12.708 237 H THR 30 H THR 30 4.713 1.636 -10.190 238 HA THR 30 HA THR 30 3.979 -0.532 -11.950 239 HB THR 30 HB THR 30 3.065 0.052 -9.127 240 HG1 THR 30 HG1 THR 30 5.166 -0.478 -8.978 241 HG21 THR 30 3HG2 THR 30 2.768 -2.448 -10.796 242 HG22 THR 30 1HG2 THR 30 1.465 -1.347 -10.348 243 HG23 THR 30 2HG2 THR 30 2.301 -2.276 -9.103 244 H ARG 31 H ARG 31 2.608 0.034 -13.507 245 HA ARG 31 HA ARG 31 0.134 1.428 -12.734 246 HE ARG 31 HE ARG 31 2.686 3.762 -14.338 247 HB2 ARG 31 2HB ARG 31 1.910 1.808 -14.923 248 HB3 ARG 31 1HB ARG 31 0.405 1.178 -15.577 249 HG2 ARG 31 2HG ARG 31 0.450 3.622 -15.549 250 HG3 ARG 31 1HG ARG 31 -0.838 2.975 -14.536 251 HD2 ARG 31 2HD ARG 31 0.218 4.790 -13.373 252 HD3 ARG 31 1HD ARG 31 0.627 3.281 -12.559 253 HH11 ARG 31 1HH1 ARG 31 1.259 5.403 -11.587 254 HH12 ARG 31 2HH1 ARG 31 2.727 6.205 -11.125 255 HH21 ARG 31 1HH2 ARG 31 4.644 4.820 -13.726 256 HH22 ARG 31 2HH2 ARG 31 4.640 5.869 -12.342 257 H ARG 32 H ARG 32 -1.846 0.633 -13.844 258 HA ARG 32 HA ARG 32 -3.327 -0.994 -14.455 259 HE ARG 32 HE ARG 32 -3.975 -5.558 -16.404 260 HB2 ARG 32 2HB ARG 32 -1.541 -1.713 -16.104 261 HB3 ARG 32 1HB ARG 32 -0.980 -2.853 -14.894 262 HG2 ARG 32 2HG ARG 32 -3.811 -2.905 -15.868 263 HG3 ARG 32 1HG ARG 32 -2.516 -3.699 -16.762 264 HD2 ARG 32 2HD ARG 32 -1.940 -4.888 -14.609 265 HD3 ARG 32 1HD ARG 32 -3.457 -4.264 -13.965 266 HH11 ARG 32 1HH1 ARG 32 -3.064 -6.256 -13.100 267 HH12 ARG 32 2HH1 ARG 32 -3.669 -7.887 -13.144 268 HH21 ARG 32 1HH2 ARG 32 -4.795 -7.714 -16.452 269 HH22 ARG 32 2HH2 ARG 32 -4.639 -8.706 -15.033 270 H TRP 33 H TRP 33 -0.603 -2.451 -12.694 271 HA TRP 33 HA TRP 33 -0.416 -3.195 -10.563 272 HD1 TRP 33 HD1 TRP 33 -2.299 0.312 -10.974 273 HE1 TRP 33 HE1 TRP 33 -0.847 1.995 -9.678 274 HE3 TRP 33 HE3 TRP 33 -0.501 -2.803 -7.360 275 HZ2 TRP 33 HZ2 TRP 33 0.842 1.991 -7.409 276 HZ3 TRP 33 HZ3 TRP 33 1.021 -1.891 -5.660 277 HH2 TRP 33 HH2 TRP 33 1.681 0.459 -5.687 278 HB2 TRP 33 2HB TRP 33 -3.211 -2.110 -10.337 279 HB3 TRP 33 1HB TRP 33 -2.427 -2.951 -9.006 280 H VAL 34 H VAL 34 -0.857 -4.964 -9.257 281 HA VAL 34 HA VAL 34 -2.878 -6.866 -10.193 282 HB VAL 34 HB VAL 34 -1.323 -8.753 -9.831 283 HG11 VAL 34 1HG1 VAL 34 -1.605 -7.914 -12.091 284 HG12 VAL 34 2HG1 VAL 34 0.063 -8.428 -11.844 285 HG13 VAL 34 3HG1 VAL 34 -0.342 -6.710 -11.828 286 HG21 VAL 34 3HG2 VAL 34 1.085 -8.338 -9.621 287 HG22 VAL 34 1HG2 VAL 34 0.187 -7.705 -8.242 288 HG23 VAL 34 2HG2 VAL 34 0.768 -6.608 -9.493 289 H ALA 35 H ALA 35 -3.202 -8.606 -8.441 290 HA ALA 35 HA ALA 35 -4.196 -7.250 -6.222 291 HB1 ALA 35 3HB ALA 35 -4.743 -9.435 -5.309 292 HB2 ALA 35 1HB ALA 35 -3.658 -10.204 -6.469 293 HB3 ALA 35 2HB ALA 35 -5.104 -9.368 -7.033 294 H SER 36 H SER 36 -1.267 -9.248 -6.481 295 HA SER 36 HA SER 36 -0.615 -9.269 -3.765 296 HG SER 36 HG SER 36 0.195 -11.601 -4.756 297 HB2 SER 36 2HB SER 36 1.294 -9.380 -6.107 298 HB3 SER 36 1HB SER 36 1.606 -9.964 -4.472 299 H ARG 37 H ARG 37 0.227 -6.914 -6.275 300 HA ARG 37 HA ARG 37 2.002 -5.455 -4.561 301 HE ARG 37 HE ARG 37 3.986 -6.751 -9.069 302 HB2 ARG 37 2HB ARG 37 0.727 -4.622 -7.175 303 HB3 ARG 37 1HB ARG 37 2.029 -3.766 -6.358 304 HG2 ARG 37 2HG ARG 37 3.399 -5.852 -6.571 305 HG3 ARG 37 1HG ARG 37 2.122 -6.504 -7.591 306 HD2 ARG 37 2HD ARG 37 2.411 -4.569 -9.110 307 HD3 ARG 37 1HD ARG 37 3.770 -4.039 -8.118 308 HH11 ARG 37 1HH1 ARG 37 4.688 -3.383 -9.788 309 HH12 ARG 37 2HH1 ARG 37 5.966 -3.768 -10.904 310 HH21 ARG 37 1HH2 ARG 37 5.627 -7.246 -10.563 311 HH22 ARG 37 2HH2 ARG 37 6.458 -5.955 -11.383 312 H LYS 38 H LYS 38 -1.363 -5.194 -5.524 313 HA LYS 38 HA LYS 38 -1.941 -2.721 -4.302 314 HB2 LYS 38 2HB LYS 38 -3.734 -5.122 -4.733 315 HB3 LYS 38 1HB LYS 38 -4.295 -3.529 -4.246 316 HG2 LYS 38 2HG LYS 38 -3.438 -2.601 -6.349 317 HG3 LYS 38 1HG LYS 38 -2.936 -4.222 -6.841 318 HD2 LYS 38 2HD LYS 38 -5.264 -4.971 -6.701 319 HD3 LYS 38 1HD LYS 38 -5.756 -3.348 -6.218 320 HE2 LYS 38 2HE LYS 38 -4.911 -2.475 -8.351 321 HE3 LYS 38 1HE LYS 38 -4.476 -4.113 -8.838 322 HZ1 LYS 38 3HZ LYS 38 -7.205 -3.055 -8.338 323 HZ2 LYS 38 1HZ LYS 38 -6.859 -4.699 -8.584 324 HZ3 LYS 38 2HZ LYS 38 -6.554 -3.572 -9.813 325 H ALA 39 H ALA 39 -2.033 -6.039 -3.109 326 HA ALA 39 HA ALA 39 -3.101 -5.566 -0.577 327 HB1 ALA 39 3HB ALA 39 -2.861 -7.803 -1.545 328 HB2 ALA 39 1HB ALA 39 -2.139 -7.710 0.062 329 HB3 ALA 39 2HB ALA 39 -1.109 -7.691 -1.369 330 H ALA 40 H ALA 40 0.246 -5.445 -1.703 331 HA ALA 40 HA ALA 40 1.454 -5.089 0.818 332 HB1 ALA 40 3HB ALA 40 3.387 -4.256 -0.433 333 HB2 ALA 40 1HB ALA 40 2.400 -4.150 -1.889 334 HB3 ALA 40 2HB ALA 40 2.726 -5.722 -1.158 335 H VAL 41 H VAL 41 0.073 -2.801 -1.483 336 HA VAL 41 HA VAL 41 0.998 -0.466 -0.135 337 HB VAL 41 HB VAL 41 -1.287 -0.770 -2.093 338 HG11 VAL 41 1HG1 VAL 41 -1.038 1.639 -2.459 339 HG12 VAL 41 2HG1 VAL 41 0.176 1.706 -1.182 340 HG13 VAL 41 3HG1 VAL 41 -1.489 1.279 -0.793 341 HG21 VAL 41 3HG2 VAL 41 1.586 0.032 -2.519 342 HG22 VAL 41 1HG2 VAL 41 0.321 0.060 -3.749 343 HG23 VAL 41 2HG2 VAL 41 0.830 -1.472 -3.043 344 H VAL 42 H VAL 42 -2.126 -2.183 -0.186 345 HA VAL 42 HA VAL 42 -3.413 -0.310 1.515 346 HB VAL 42 HB VAL 42 -4.667 -1.794 0.001 347 HG11 VAL 42 1HG1 VAL 42 -5.083 -4.126 0.586 348 HG12 VAL 42 2HG1 VAL 42 -3.950 -3.993 1.932 349 HG13 VAL 42 3HG1 VAL 42 -3.370 -3.841 0.274 350 HG21 VAL 42 3HG2 VAL 42 -5.831 -0.753 1.838 351 HG22 VAL 42 1HG2 VAL 42 -5.380 -2.076 2.911 352 HG23 VAL 42 2HG2 VAL 42 -6.473 -2.371 1.561 353 H LYS 43 H LYS 43 -1.674 -3.336 2.138 354 HA LYS 43 HA LYS 43 -2.315 -3.528 4.881 355 HB2 LYS 43 2HB LYS 43 0.082 -4.508 3.327 356 HB3 LYS 43 1HB LYS 43 -0.127 -4.823 5.042 357 HG2 LYS 43 2HG LYS 43 -2.233 -6.001 4.547 358 HG3 LYS 43 1HG LYS 43 -1.960 -5.724 2.824 359 HD2 LYS 43 2HD LYS 43 0.136 -6.989 2.962 360 HD3 LYS 43 1HD LYS 43 -0.146 -7.273 4.678 361 HE2 LYS 43 2HE LYS 43 -2.267 -8.430 4.061 362 HE3 LYS 43 1HE LYS 43 -1.814 -8.258 2.369 363 HZ1 LYS 43 3HZ LYS 43 -0.316 -9.776 4.445 364 HZ2 LYS 43 1HZ LYS 43 0.207 -9.550 2.847 365 HZ3 LYS 43 2HZ LYS 43 -1.204 -10.434 3.160 366 H ALA 44 H ALA 44 0.159 -1.746 3.134 367 HA ALA 44 HA ALA 44 1.736 -0.934 5.293 368 HB1 ALA 44 3HB ALA 44 2.516 0.860 3.846 369 HB2 ALA 44 1HB ALA 44 1.162 0.585 2.751 370 HB3 ALA 44 2HB ALA 44 2.401 -0.653 2.953 371 H VAL 45 H VAL 45 -1.103 0.623 3.834 372 HA VAL 45 HA VAL 45 -1.051 2.872 5.574 373 HB VAL 45 HB VAL 45 -3.374 1.775 3.985 374 HG11 VAL 45 1HG1 VAL 45 -4.391 3.925 4.235 375 HG12 VAL 45 2HG1 VAL 45 -2.966 4.568 5.049 376 HG13 VAL 45 3HG1 VAL 45 -3.959 3.346 5.841 377 HG21 VAL 45 3HG2 VAL 45 -1.352 3.901 3.282 378 HG22 VAL 45 1HG2 VAL 45 -2.764 3.466 2.318 379 HG23 VAL 45 2HG2 VAL 45 -1.467 2.295 2.560 380 H ILE 46 H ILE 46 -2.857 -0.176 5.599 381 HA ILE 46 HA ILE 46 -4.538 0.498 7.772 382 HB ILE 46 HB ILE 46 -3.797 -2.185 6.606 383 HG12 ILE 46 2HG1 ILE 46 -6.256 -0.443 6.340 384 HG13 ILE 46 1HG1 ILE 46 -5.011 -0.657 5.118 385 HG21 ILE 46 1HG2 ILE 46 -4.490 -2.521 8.914 386 HG22 ILE 46 2HG2 ILE 46 -5.735 -3.100 7.807 387 HG23 ILE 46 3HG2 ILE 46 -5.939 -1.556 8.634 388 HD11 ILE 46 3HD1 ILE 46 -5.612 -3.014 4.925 389 HD12 ILE 46 1HD1 ILE 46 -6.985 -1.956 4.597 390 HD13 ILE 46 2HD1 ILE 46 -6.864 -2.792 6.147 391 H HIS 47 H HIS 47 -1.298 -0.790 7.631 392 HA HIS 47 HA HIS 47 -1.357 -1.537 10.441 393 HD1 HIS 47 HD1 HIS 47 -1.307 -3.781 10.680 394 HD2 HIS 47 HD2 HIS 47 0.748 -4.006 7.072 395 HE1 HIS 47 HE1 HIS 47 -1.854 -6.038 9.721 396 HE2 HIS 47 HE2 HIS 47 -0.739 -6.082 7.468 397 HB2 HIS 47 2HB HIS 47 0.846 -1.644 8.380 398 HB3 HIS 47 1HB HIS 47 1.082 -2.078 10.071 399 H GLY 48 H GLY 48 -0.939 1.278 8.724 400 HA2 GLY 48 2HA GLY 48 -0.643 3.373 9.744 401 HA3 GLY 48 1HA GLY 48 0.120 2.575 11.110 402 H LEU 49 H LEU 49 1.344 1.455 8.182 403 HA LEU 49 HA LEU 49 3.928 2.522 8.682 404 HG LEU 49 HG LEU 49 4.942 2.415 5.769 405 HB2 LEU 49 2HB LEU 49 3.614 0.379 7.554 406 HB3 LEU 49 1HB LEU 49 2.797 1.175 6.224 407 HD11 LEU 49 1HD1 LEU 49 5.987 2.155 7.940 408 HD12 LEU 49 2HD1 LEU 49 6.999 1.458 6.673 409 HD13 LEU 49 3HD1 LEU 49 6.044 0.405 7.721 410 HD21 LEU 49 3HD2 LEU 49 4.250 0.495 4.440 411 HD22 LEU 49 1HD2 LEU 49 5.021 -0.590 5.597 412 HD23 LEU 49 2HD2 LEU 49 6.002 0.527 4.648 413 H ILE 50 H ILE 50 1.756 3.007 5.907 414 HA ILE 50 HA ILE 50 2.858 5.729 5.655 415 HB ILE 50 HB ILE 50 2.505 5.648 3.257 416 HG12 ILE 50 2HG1 ILE 50 1.792 2.730 3.512 417 HG13 ILE 50 1HG1 ILE 50 0.568 3.994 3.443 418 HG21 ILE 50 1HG2 ILE 50 4.669 4.924 4.065 419 HG22 ILE 50 2HG2 ILE 50 4.215 3.998 2.634 420 HG23 ILE 50 3HG2 ILE 50 4.078 3.273 4.234 421 HD11 ILE 50 3HD1 ILE 50 0.931 2.967 1.269 422 HD12 ILE 50 1HD1 ILE 50 2.631 3.435 1.327 423 HD13 ILE 50 2HD1 ILE 50 1.375 4.676 1.260 424 H THR 51 H THR 51 1.375 7.285 4.726 425 HA THR 51 HA THR 51 -1.336 6.865 5.650 426 HB THR 51 HB THR 51 -0.451 8.963 6.283 427 HG1 THR 51 HG1 THR 51 -1.957 10.333 5.455 428 HG21 THR 51 3HG2 THR 51 0.465 10.604 4.707 429 HG22 THR 51 1HG2 THR 51 0.271 9.446 3.393 430 HG23 THR 51 2HG2 THR 51 1.399 9.109 4.703 431 H GLU 52 H GLU 52 -3.178 7.228 4.346 432 HA GLU 52 HA GLU 52 -3.283 6.013 1.871 433 HB2 GLU 52 2HB GLU 52 -5.039 7.856 3.390 434 HB3 GLU 52 1HB GLU 52 -5.369 7.694 1.671 435 HG2 GLU 52 2HG GLU 52 -6.056 5.554 1.857 436 HG3 GLU 52 1HG GLU 52 -4.991 5.204 3.213 437 H ARG 53 H ARG 53 -2.849 9.411 2.665 438 HA ARG 53 HA ARG 53 -3.062 10.405 0.038 439 HE ARG 53 HE ARG 53 -3.635 13.741 0.304 440 HB2 ARG 53 2HB ARG 53 -1.603 11.578 2.411 441 HB3 ARG 53 1HB ARG 53 -2.009 12.446 0.937 442 HG2 ARG 53 2HG ARG 53 -3.966 11.264 2.899 443 HG3 ARG 53 1HG ARG 53 -3.578 12.975 2.708 444 HD2 ARG 53 2HD ARG 53 -4.845 11.188 0.635 445 HD3 ARG 53 1HD ARG 53 -5.674 12.411 1.593 446 HH11 ARG 53 1HH1 ARG 53 -6.466 11.884 -0.625 447 HH12 ARG 53 2HH1 ARG 53 -6.670 12.718 -2.135 448 HH21 ARG 53 1HH2 ARG 53 -3.915 14.834 -1.690 449 HH22 ARG 53 2HH2 ARG 53 -5.236 14.375 -2.734 450 H GLU 54 H GLU 54 -0.436 8.999 1.823 451 HA GLU 54 HA GLU 54 1.681 9.747 0.083 452 HB2 GLU 54 2HB GLU 54 2.270 8.994 2.260 453 HB3 GLU 54 1HB GLU 54 1.310 7.535 2.102 454 HG2 GLU 54 2HG GLU 54 3.582 6.904 1.980 455 HG3 GLU 54 1HG GLU 54 2.919 6.762 0.355 456 H ALA 55 H ALA 55 -0.254 6.779 0.401 457 HA ALA 55 HA ALA 55 0.878 5.380 -1.745 458 HB1 ALA 55 3HB ALA 55 -1.107 3.970 -1.671 459 HB2 ALA 55 1HB ALA 55 -1.933 5.170 -0.676 460 HB3 ALA 55 2HB ALA 55 -0.521 4.321 -0.045 461 H LEU 56 H LEU 56 -1.927 7.532 -1.646 462 HA LEU 56 HA LEU 56 -2.716 7.179 -4.338 463 HG LEU 56 HG LEU 56 -3.980 7.446 -1.511 464 HB2 LEU 56 2HB LEU 56 -3.165 9.582 -2.563 465 HB3 LEU 56 1HB LEU 56 -4.087 9.159 -3.993 466 HD11 LEU 56 1HD1 LEU 56 -6.199 8.312 -0.993 467 HD12 LEU 56 2HD1 LEU 56 -6.090 9.426 -2.358 468 HD13 LEU 56 3HD1 LEU 56 -4.994 9.599 -0.986 469 HD21 LEU 56 3HD2 LEU 56 -5.924 6.353 -2.487 470 HD22 LEU 56 1HD2 LEU 56 -4.536 6.255 -3.571 471 HD23 LEU 56 2HD2 LEU 56 -5.827 7.414 -3.893 472 H ASP 57 H ASP 57 -0.387 9.277 -2.799 473 HA ASP 57 HA ASP 57 -0.130 11.070 -5.028 474 HB2 ASP 57 2HB ASP 57 0.267 11.806 -2.719 475 HB3 ASP 57 1HB ASP 57 1.621 10.697 -2.593 476 H ARG 58 H ARG 58 1.873 8.529 -3.600 477 HA ARG 58 HA ARG 58 4.027 8.954 -5.412 478 HE ARG 58 HE ARG 58 5.411 4.303 -2.812 479 HB2 ARG 58 2HB ARG 58 5.055 7.003 -4.374 480 HB3 ARG 58 1HB ARG 58 4.393 8.082 -3.160 481 HG2 ARG 58 2HG ARG 58 2.367 6.569 -3.106 482 HG3 ARG 58 1HG ARG 58 3.312 5.434 -4.071 483 HD2 ARG 58 2HD ARG 58 4.117 6.520 -1.372 484 HD3 ARG 58 1HD ARG 58 3.406 4.933 -1.656 485 HH11 ARG 58 1HH1 ARG 58 5.594 7.378 -1.124 486 HH12 ARG 58 2HH1 ARG 58 7.326 7.318 -0.976 487 HH21 ARG 58 1HH2 ARG 58 7.669 4.230 -2.613 488 HH22 ARG 58 2HH2 ARG 58 8.511 5.541 -1.823 489 H TYR 59 H TYR 59 1.255 6.794 -5.459 490 HA TYR 59 HA TYR 59 2.406 5.428 -7.791 491 HD1 TYR 59 HD2 TYR 59 3.383 3.446 -7.192 492 HD2 TYR 59 HD1 TYR 59 0.536 3.770 -4.051 493 HE1 TYR 59 HE2 TYR 59 4.928 2.281 -5.679 494 HE2 TYR 59 HE1 TYR 59 2.076 2.610 -2.528 495 HH TYR 59 HH TYR 59 3.980 1.057 -2.681 496 HB2 TYR 59 2HB TYR 59 0.025 4.676 -6.094 497 HB3 TYR 59 1HB TYR 59 0.643 3.745 -7.455 498 H SER 60 H SER 60 0.506 8.010 -7.199 499 HA SER 60 HA SER 60 -1.048 9.196 -8.341 500 HG SER 60 HG SER 60 0.769 9.871 -9.655 501 HB2 SER 60 2HB SER 60 -0.249 7.414 -10.658 502 HB3 SER 60 1HB SER 60 -1.139 8.933 -10.781 503 H LEU 61 H LEU 61 -2.510 8.066 -6.861 504 HA LEU 61 HA LEU 61 -4.397 6.335 -8.320 505 HG LEU 61 HG LEU 61 -1.893 5.118 -6.962 506 HB2 LEU 61 2HB LEU 61 -3.600 6.089 -5.416 507 HB3 LEU 61 1HB LEU 61 -4.819 5.124 -6.222 508 HD11 LEU 61 1HD1 LEU 61 -2.213 4.250 -4.713 509 HD12 LEU 61 2HD1 LEU 61 -1.805 2.952 -5.835 510 HD13 LEU 61 3HD1 LEU 61 -3.472 3.164 -5.298 511 HD21 LEU 61 3HD2 LEU 61 -4.202 3.354 -7.780 512 HD22 LEU 61 1HD2 LEU 61 -2.508 3.060 -8.177 513 HD23 LEU 61 2HD2 LEU 61 -3.327 4.489 -8.807 514 H SER 62 H SER 62 -6.572 6.538 -7.723 515 HA SER 62 HA SER 62 -7.270 9.074 -6.447 516 HG SER 62 HG SER 62 -7.382 9.103 -8.936 517 HB2 SER 62 2HB SER 62 -9.138 7.158 -7.857 518 HB3 SER 62 1HB SER 62 -9.380 8.877 -7.548 519 H GLU 63 H GLU 63 -9.143 9.059 -4.948 520 HA GLU 63 HA GLU 63 -8.744 7.355 -2.785 521 HB2 GLU 63 2HB GLU 63 -9.893 9.625 -2.860 522 HB3 GLU 63 1HB GLU 63 -11.322 8.773 -3.430 523 HG2 GLU 63 2HG GLU 63 -11.095 7.334 -1.368 524 HG3 GLU 63 1HG GLU 63 -9.944 8.540 -0.797 525 H GLU 64 H GLU 64 -11.173 7.306 -5.353 526 HA GLU 64 HA GLU 64 -12.697 5.143 -4.430 527 HB2 GLU 64 2HB GLU 64 -13.460 4.983 -6.812 528 HB3 GLU 64 1HB GLU 64 -13.590 6.588 -6.105 529 HG2 GLU 64 2HG GLU 64 -11.448 7.185 -7.213 530 HG3 GLU 64 1HG GLU 64 -11.483 5.616 -8.017 531 H GLU 65 H GLU 65 -9.655 5.228 -6.079 532 HA GLU 65 HA GLU 65 -9.643 2.535 -7.009 533 HB2 GLU 65 2HB GLU 65 -8.146 4.311 -7.893 534 HB3 GLU 65 1HB GLU 65 -7.314 4.354 -6.347 535 HG2 GLU 65 2HG GLU 65 -5.993 3.103 -7.874 536 HG3 GLU 65 1HG GLU 65 -6.667 1.983 -6.690 537 H PHE 66 H PHE 66 -8.040 4.138 -4.261 538 HA PHE 66 HA PHE 66 -7.056 1.761 -3.115 539 HD1 PHE 66 HD2 PHE 66 -4.603 2.276 -1.984 540 HD2 PHE 66 HD1 PHE 66 -7.742 3.614 0.558 541 HE1 PHE 66 HE2 PHE 66 -3.453 1.291 -0.048 542 HE2 PHE 66 HE1 PHE 66 -6.598 2.627 2.496 543 HZ PHE 66 HZ PHE 66 -4.450 1.464 2.197 544 HB2 PHE 66 2HB PHE 66 -6.208 4.084 -2.650 545 HB3 PHE 66 1HB PHE 66 -7.645 4.353 -1.668 546 H ALA 67 H ALA 67 -10.095 3.477 -2.782 547 HA ALA 67 HA ALA 67 -11.133 2.189 -0.525 548 HB1 ALA 67 3HB ALA 67 -12.180 4.137 -1.625 549 HB2 ALA 67 1HB ALA 67 -13.319 2.822 -1.344 550 HB3 ALA 67 2HB ALA 67 -12.671 3.095 -2.960 551 H LEU 68 H LEU 68 -11.112 1.235 -3.927 552 HA LEU 68 HA LEU 68 -12.610 -1.151 -3.587 553 HG LEU 68 HG LEU 68 -12.604 1.064 -5.731 554 HB2 LEU 68 2HB LEU 68 -10.605 -0.383 -5.708 555 HB3 LEU 68 1HB LEU 68 -11.641 -1.795 -5.783 556 HD11 LEU 68 1HD1 LEU 68 -13.225 0.652 -8.063 557 HD12 LEU 68 2HD1 LEU 68 -12.462 -0.935 -7.982 558 HD13 LEU 68 3HD1 LEU 68 -11.485 0.523 -7.817 559 HD21 LEU 68 3HD2 LEU 68 -14.786 0.078 -6.262 560 HD22 LEU 68 1HD2 LEU 68 -14.191 -0.455 -4.690 561 HD23 LEU 68 2HD2 LEU 68 -14.096 -1.535 -6.083 562 H TRP 69 H TRP 69 -9.138 -0.448 -3.697 563 HA TRP 69 HA TRP 69 -8.146 -3.041 -3.478 564 HD1 TRP 69 HD1 TRP 69 -8.214 -1.199 -5.434 565 HE1 TRP 69 HE1 TRP 69 -6.687 -0.392 -7.338 566 HE3 TRP 69 HE3 TRP 69 -3.868 -0.671 -2.799 567 HZ2 TRP 69 HZ2 TRP 69 -3.990 0.347 -7.673 568 HZ3 TRP 69 HZ3 TRP 69 -1.859 0.089 -3.991 569 HH2 TRP 69 HH2 TRP 69 -1.920 0.585 -6.377 570 HB2 TRP 69 2HB TRP 69 -7.037 -0.494 -2.279 571 HB3 TRP 69 1HB TRP 69 -6.147 -2.003 -2.394 572 H ARG 70 H ARG 70 -8.933 -0.771 -0.857 573 HA ARG 70 HA ARG 70 -8.193 -2.575 1.200 574 HE ARG 70 HE ARG 70 -9.638 1.117 3.716 575 HB2 ARG 70 2HB ARG 70 -9.082 -0.936 2.738 576 HB3 ARG 70 1HB ARG 70 -8.183 -0.119 1.469 577 HG2 ARG 70 2HG ARG 70 -10.539 0.096 0.358 578 HG3 ARG 70 1HG ARG 70 -11.110 -0.148 2.009 579 HD2 ARG 70 2HD ARG 70 -9.194 1.984 1.083 580 HD3 ARG 70 1HD ARG 70 -10.891 2.224 1.484 581 HH11 ARG 70 1HH1 ARG 70 -9.650 4.064 1.849 582 HH12 ARG 70 2HH1 ARG 70 -9.042 5.060 3.137 583 HH21 ARG 70 1HH2 ARG 70 -8.873 2.425 5.452 584 HH22 ARG 70 2HH2 ARG 70 -8.658 4.132 5.210 585 H SER 71 H SER 71 -11.121 -2.149 -0.601 586 HA SER 71 HA SER 71 -12.739 -3.623 1.275 587 HG SER 71 HG SER 71 -13.195 -1.090 -0.149 588 HB2 SER 71 2HB SER 71 -13.248 -2.855 -1.608 589 HB3 SER 71 1HB SER 71 -14.432 -3.621 -0.548 590 H ALA 72 H ALA 72 -11.020 -4.301 -1.744 591 HA ALA 72 HA ALA 72 -12.079 -6.909 -2.095 592 HB1 ALA 72 3HB ALA 72 -11.107 -5.617 -3.930 593 HB2 ALA 72 1HB ALA 72 -10.337 -7.195 -3.766 594 HB3 ALA 72 2HB ALA 72 -9.517 -5.747 -3.177 595 H VAL 73 H VAL 73 -9.281 -5.666 -0.406 596 HA VAL 73 HA VAL 73 -8.190 -8.280 0.104 597 HB VAL 73 HB VAL 73 -7.452 -5.577 1.237 598 HG11 VAL 73 1HG1 VAL 73 -5.400 -6.644 2.022 599 HG12 VAL 73 2HG1 VAL 73 -5.983 -8.205 1.446 600 HG13 VAL 73 3HG1 VAL 73 -6.819 -7.386 2.765 601 HG21 VAL 73 3HG2 VAL 73 -7.040 -5.730 -1.145 602 HG22 VAL 73 1HG2 VAL 73 -6.185 -7.257 -0.924 603 HG23 VAL 73 2HG2 VAL 73 -5.511 -5.764 -0.267 604 H ALA 74 H ALA 74 -9.719 -5.748 2.113 605 HA ALA 74 HA ALA 74 -9.500 -7.209 4.517 606 HB1 ALA 74 3HB ALA 74 -9.738 -4.791 4.475 607 HB2 ALA 74 1HB ALA 74 -10.991 -5.537 5.465 608 HB3 ALA 74 2HB ALA 74 -11.378 -4.953 3.845 609 H ALA 75 H ALA 75 -12.190 -6.843 2.219 610 HA ALA 75 HA ALA 75 -14.021 -8.333 3.834 611 HB1 ALA 75 3HB ALA 75 -14.802 -6.670 2.212 612 HB2 ALA 75 1HB ALA 75 -15.512 -8.258 1.917 613 HB3 ALA 75 2HB ALA 75 -14.197 -7.677 0.896 614 H HIS 76 H HIS 76 -11.433 -9.220 1.860 615 HA HIS 76 HA HIS 76 -12.521 -11.856 1.268 616 HD1 HIS 76 HD1 HIS 76 -11.676 -11.976 -2.124 617 HD2 HIS 76 HD2 HIS 76 -9.427 -13.928 0.781 618 HE1 HIS 76 HE1 HIS 76 -11.250 -14.287 -3.036 619 HE2 HIS 76 HE2 HIS 76 -10.006 -15.500 -1.199 620 HB2 HIS 76 2HB HIS 76 -10.992 -10.454 -0.295 621 HB3 HIS 76 1HB HIS 76 -9.685 -11.000 0.750 622 H GLY 77 H GLY 77 -10.610 -10.233 3.608 623 HA2 GLY 77 2HA GLY 77 -9.356 -12.699 4.549 624 HA3 GLY 77 1HA GLY 77 -9.004 -11.074 5.115 625 H GLU 78 H GLU 78 -12.204 -11.010 5.114 626 HA GLU 78 HA GLU 78 -12.338 -11.514 7.952 627 HB2 GLU 78 2HB GLU 78 -14.656 -10.638 7.758 628 HB3 GLU 78 1HB GLU 78 -13.428 -9.538 7.150 629 HG2 GLU 78 2HG GLU 78 -13.972 -10.125 4.878 630 HG3 GLU 78 1HG GLU 78 -15.124 -11.338 5.435 631 H LYS 79 H LYS 79 -12.085 -13.729 5.930 632 HA LYS 79 HA LYS 79 -14.418 -15.315 6.721 633 HB2 LYS 79 2HB LYS 79 -13.529 -17.006 5.125 634 HB3 LYS 79 1HB LYS 79 -13.896 -15.467 4.365 635 HG2 LYS 79 2HG LYS 79 -11.486 -14.889 4.487 636 HG3 LYS 79 1HG LYS 79 -11.172 -16.510 5.106 637 HD2 LYS 79 2HD LYS 79 -12.520 -15.941 2.468 638 HD3 LYS 79 1HD LYS 79 -10.792 -16.246 2.644 639 HE2 LYS 79 2HE LYS 79 -12.922 -18.170 3.557 640 HE3 LYS 79 1HE LYS 79 -12.179 -18.228 1.959 641 HZ1 LYS 79 3HZ LYS 79 -10.009 -18.477 3.074 642 HZ2 LYS 79 1HZ LYS 79 -11.071 -19.754 3.408 643 HZ3 LYS 79 2HZ LYS 79 -10.801 -18.554 4.574 644 H ALA 80 H ALA 80 -11.416 -14.520 7.785 645 HA ALA 80 HA ALA 80 -11.209 -16.965 9.401 646 HB1 ALA 80 3HB ALA 80 -8.877 -15.465 8.202 647 HB2 ALA 80 1HB ALA 80 -9.483 -17.028 7.655 648 HB3 ALA 80 2HB ALA 80 -8.780 -16.871 9.264 649 H LEU 81 H LEU 81 -11.901 -16.204 11.320 650 HA LEU 81 HA LEU 81 -11.026 -13.533 12.141 651 HG LEU 81 HG LEU 81 -13.237 -12.618 11.533 652 HB2 LEU 81 2HB LEU 81 -13.360 -15.202 13.067 653 HB3 LEU 81 1HB LEU 81 -12.883 -13.699 13.826 654 HD11 LEU 81 1HD1 LEU 81 -13.306 -14.670 10.215 655 HD12 LEU 81 2HD1 LEU 81 -14.802 -13.749 10.048 656 HD13 LEU 81 3HD1 LEU 81 -14.759 -15.180 11.079 657 HD21 LEU 81 3HD2 LEU 81 -14.724 -12.263 13.416 658 HD22 LEU 81 1HD2 LEU 81 -15.581 -13.760 13.048 659 HD23 LEU 81 2HD2 LEU 81 -15.650 -12.403 11.920 660 H LYS 82 H LYS 82 -8.945 -14.345 12.801 661 HA LYS 82 HA LYS 82 -8.605 -16.028 15.045 662 HB2 LYS 82 2HB LYS 82 -6.788 -15.196 13.500 663 HB3 LYS 82 1HB LYS 82 -6.926 -13.627 14.277 664 HG2 LYS 82 2HG LYS 82 -6.389 -14.796 16.451 665 HG3 LYS 82 1HG LYS 82 -5.974 -16.210 15.477 666 HD2 LYS 82 2HD LYS 82 -4.375 -14.778 14.209 667 HD3 LYS 82 1HD LYS 82 -4.714 -13.473 15.346 668 HE2 LYS 82 2HE LYS 82 -2.730 -14.497 16.105 669 HE3 LYS 82 1HE LYS 82 -4.007 -15.061 17.180 670 HZ1 LYS 82 3HZ LYS 82 -4.088 -17.138 15.990 671 HZ2 LYS 82 1HZ LYS 82 -2.489 -16.835 16.468 672 HZ3 LYS 82 2HZ LYS 82 -2.954 -16.587 14.858 673 H VAL 83 H VAL 83 -8.261 -15.377 17.293 674 HA VAL 83 HA VAL 83 -10.222 -13.665 18.291 675 HB VAL 83 HB VAL 83 -9.173 -15.424 19.637 676 HG11 VAL 83 1HG1 VAL 83 -6.992 -15.076 20.690 677 HG12 VAL 83 2HG1 VAL 83 -6.772 -13.605 19.741 678 HG13 VAL 83 3HG1 VAL 83 -6.865 -15.170 18.934 679 HG21 VAL 83 3HG2 VAL 83 -8.932 -12.674 20.848 680 HG22 VAL 83 1HG2 VAL 83 -9.013 -14.185 21.752 681 HG23 VAL 83 2HG2 VAL 83 -10.388 -13.664 20.779 682 H THR 84 H THR 84 -6.933 -12.965 17.345 683 HA THR 84 HA THR 84 -7.041 -10.266 18.418 684 HB THR 84 HB THR 84 -4.861 -11.456 16.716 685 HG1 THR 84 HG1 THR 84 -4.992 -11.575 19.565 686 HG21 THR 84 3HG2 THR 84 -3.423 -9.921 18.004 687 HG22 THR 84 1HG2 THR 84 -4.841 -9.338 18.876 688 HG23 THR 84 2HG2 THR 84 -4.694 -9.054 17.142 689 H MET 85 H MET 85 -8.313 -11.689 15.767 690 HA MET 85 HA MET 85 -7.426 -9.759 13.781 691 HB2 MET 85 2HB MET 85 -7.841 -12.226 13.291 692 HB3 MET 85 1HB MET 85 -9.554 -11.867 13.438 693 HG2 MET 85 2HG MET 85 -8.876 -11.890 11.120 694 HG3 MET 85 1HG MET 85 -9.395 -10.277 11.605 695 HE1 MET 85 3HE MET 85 -6.564 -9.618 8.945 696 HE2 MET 85 1HE MET 85 -8.239 -9.284 9.389 697 HE3 MET 85 2HE MET 85 -7.752 -10.921 8.955 698 H ILE 86 H ILE 86 -10.105 -10.264 15.923 699 HA ILE 86 HA ILE 86 -12.068 -8.804 14.521 700 HB ILE 86 HB ILE 86 -11.837 -9.157 17.518 701 HG12 ILE 86 2HG1 ILE 86 -13.836 -10.794 16.868 702 HG13 ILE 86 1HG1 ILE 86 -12.976 -10.852 15.335 703 HG21 ILE 86 1HG2 ILE 86 -14.202 -8.343 15.835 704 HG22 ILE 86 2HG2 ILE 86 -13.271 -7.281 16.890 705 HG23 ILE 86 3HG2 ILE 86 -14.210 -8.608 17.581 706 HD11 ILE 86 3HD1 ILE 86 -12.376 -12.688 16.841 707 HD12 ILE 86 1HD1 ILE 86 -11.777 -11.517 18.015 708 HD13 ILE 86 2HD1 ILE 86 -10.990 -11.672 16.445 709 H GLN 87 H GLN 87 -9.599 -7.825 16.848 710 HA GLN 87 HA GLN 87 -10.360 -5.136 17.094 711 HB2 GLN 87 2HB GLN 87 -8.710 -6.177 18.578 712 HB3 GLN 87 1HB GLN 87 -7.594 -6.355 17.232 713 HG2 GLN 87 2HG GLN 87 -7.031 -4.464 18.695 714 HG3 GLN 87 1HG GLN 87 -7.372 -3.967 17.037 715 HE21 GLN 87 1HE2 GLN 87 -7.869 -1.876 17.628 716 HE22 GLN 87 2HE2 GLN 87 -9.318 -1.454 18.479 717 H LYS 88 H LYS 88 -8.383 -6.822 14.729 718 HA LYS 88 HA LYS 88 -7.516 -4.516 13.344 719 HB2 LYS 88 2HB LYS 88 -7.745 -7.385 12.421 720 HB3 LYS 88 1HB LYS 88 -6.924 -6.107 11.531 721 HG2 LYS 88 2HG LYS 88 -5.379 -5.805 13.414 722 HG3 LYS 88 1HG LYS 88 -6.187 -7.121 14.269 723 HD2 LYS 88 2HD LYS 88 -5.552 -8.678 12.512 724 HD3 LYS 88 1HD LYS 88 -4.800 -7.365 11.600 725 HE2 LYS 88 2HE LYS 88 -3.110 -8.625 12.794 726 HE3 LYS 88 1HE LYS 88 -3.234 -6.993 13.450 727 HZ1 LYS 88 3HZ LYS 88 -3.111 -8.397 15.297 728 HZ2 LYS 88 1HZ LYS 88 -4.200 -9.525 14.642 729 HZ3 LYS 88 2HZ LYS 88 -4.757 -8.018 15.175 730 H TYR 89 H TYR 89 -10.376 -6.533 13.133 731 HA TYR 89 HA TYR 89 -11.403 -5.373 10.753 732 HD1 TYR 89 HD2 TYR 89 -11.468 -7.060 9.622 733 HD2 TYR 89 HD1 TYR 89 -13.108 -9.012 13.026 734 HE1 TYR 89 HE2 TYR 89 -10.921 -9.245 8.625 735 HE2 TYR 89 HE1 TYR 89 -12.567 -11.199 12.047 736 HH TYR 89 HH TYR 89 -10.541 -11.567 9.332 737 HB2 TYR 89 2HB TYR 89 -12.826 -6.703 13.065 738 HB3 TYR 89 1HB TYR 89 -13.615 -6.220 11.569 739 H ARG 90 H ARG 90 -11.652 -4.570 14.167 740 HA ARG 90 HA ARG 90 -13.640 -2.548 13.784 741 HE ARG 90 HE ARG 90 -12.003 -3.902 18.149 742 HB2 ARG 90 2HB ARG 90 -11.871 -3.186 16.146 743 HB3 ARG 90 1HB ARG 90 -13.141 -1.970 16.169 744 HG2 ARG 90 2HG ARG 90 -14.789 -3.727 15.645 745 HG3 ARG 90 1HG ARG 90 -13.497 -4.926 15.719 746 HD2 ARG 90 2HD ARG 90 -14.358 -3.124 17.981 747 HD3 ARG 90 1HD ARG 90 -14.788 -4.823 17.804 748 HH11 ARG 90 1HH1 ARG 90 -14.646 -6.054 18.970 749 HH12 ARG 90 2HH1 ARG 90 -13.659 -7.091 19.959 750 HH21 ARG 90 1HH2 ARG 90 -10.720 -5.226 19.490 751 HH22 ARG 90 2HH2 ARG 90 -11.434 -6.610 20.270 752 H GLN 91 H GLN 91 -10.232 -2.615 13.439 753 HA GLN 91 HA GLN 91 -10.093 0.314 13.688 754 HB2 GLN 91 2HB GLN 91 -7.690 0.094 13.748 755 HB3 GLN 91 1HB GLN 91 -8.388 -1.024 14.910 756 HG2 GLN 91 2HG GLN 91 -8.049 -2.869 13.379 757 HG3 GLN 91 1HG GLN 91 -7.433 -1.760 12.154 758 HE21 GLN 91 1HE2 GLN 91 -5.394 -0.854 12.410 759 HE22 GLN 91 2HE2 GLN 91 -4.236 -1.499 13.518 760 H LEU 92 H LEU 92 -10.595 -2.009 11.391 761 HA LEU 92 HA LEU 92 -8.983 -0.779 9.305 762 HG LEU 92 HG LEU 92 -8.352 -2.292 7.527 763 HB2 LEU 92 2HB LEU 92 -9.258 -3.300 9.718 764 HB3 LEU 92 1HB LEU 92 -10.843 -3.121 8.998 765 HD11 LEU 92 1HD1 LEU 92 -9.674 -5.006 7.497 766 HD12 LEU 92 2HD1 LEU 92 -8.103 -4.638 8.206 767 HD13 LEU 92 3HD1 LEU 92 -8.341 -4.482 6.466 768 HD21 LEU 92 3HD2 LEU 92 -10.474 -1.473 6.661 769 HD22 LEU 92 1HD2 LEU 92 -11.114 -3.115 6.638 770 HD23 LEU 92 2HD2 LEU 92 -9.780 -2.674 5.570 771 H HIS 93 H HIS 93 -9.761 0.775 8.081 772 HA HIS 93 HA HIS 93 -12.635 1.206 7.879 773 HD1 HIS 93 HD1 HIS 93 -13.834 3.179 8.394 774 HD2 HIS 93 HD2 HIS 93 -11.657 4.897 5.293 775 HE1 HIS 93 HE1 HIS 93 -15.352 4.907 7.374 776 HE2 HIS 93 HE2 HIS 93 -14.085 5.786 5.381 777 HB2 HIS 93 2HB HIS 93 -10.915 3.055 8.334 778 HB3 HIS 93 1HB HIS 93 -10.461 2.893 6.643 779 H HIS 94 H HIS 94 -13.784 0.537 6.179 780 HA HIS 94 HA HIS 94 -12.366 -0.955 4.134 781 HD1 HIS 94 HD1 HIS 94 -14.578 -1.499 7.286 782 HD2 HIS 94 HD2 HIS 94 -13.626 -4.173 4.243 783 HE1 HIS 94 HE1 HIS 94 -14.030 -3.672 8.434 784 HE2 HIS 94 HE2 HIS 94 -13.582 -5.309 6.567 785 HB2 HIS 94 2HB HIS 94 -15.292 -0.759 4.836 786 HB3 HIS 94 1HB HIS 94 -14.672 -1.740 3.513 787 H HIS 95 H HIS 95 -14.087 2.054 4.328 788 HA HIS 95 HA HIS 95 -13.576 2.425 1.464 789 HD1 HIS 95 HD1 HIS 95 -16.086 2.889 -0.788 790 HD2 HIS 95 HD2 HIS 95 -16.461 0.016 2.200 791 HE1 HIS 95 HE1 HIS 95 -16.958 0.820 -1.935 792 HE2 HIS 95 HE2 HIS 95 -17.325 -0.849 -0.081 793 HB2 HIS 95 2HB HIS 95 -16.194 2.804 2.878 794 HB3 HIS 95 1HB HIS 95 -15.790 3.836 1.514 Start of MODEL 19 1 HA MET 1 HA MET 1 7.425 16.535 9.414 2 H1 MET 1 1H MET 1 6.850 14.889 11.802 3 H2 MET 1 2H MET 1 8.342 15.104 11.030 4 H3 MET 1 3H MET 1 7.102 14.249 10.256 5 HB2 MET 1 2HB MET 1 5.309 15.352 9.102 6 HB3 MET 1 1HB MET 1 4.760 15.884 10.685 7 HG2 MET 1 2HG MET 1 4.808 18.205 9.919 8 HG3 MET 1 1HG MET 1 5.350 17.665 8.332 9 HE1 MET 1 3HE MET 1 2.697 15.898 10.673 10 HE2 MET 1 1HE MET 1 1.208 16.650 10.108 11 HE3 MET 1 2HE MET 1 2.423 17.618 10.943 12 H TYR 2 H TYR 2 5.707 16.527 12.542 13 HA TYR 2 HA TYR 2 6.086 19.372 12.815 14 HD1 TYR 2 HD2 TYR 2 4.470 20.940 13.780 15 HD2 TYR 2 HD1 TYR 2 4.741 18.035 16.883 16 HE1 TYR 2 HE2 TYR 2 4.117 22.702 15.457 17 HE2 TYR 2 HE1 TYR 2 4.389 19.793 18.565 18 HH TYR 2 HH TYR 2 3.341 22.937 17.745 19 HB2 TYR 2 2HB TYR 2 3.991 18.293 13.513 20 HB3 TYR 2 1HB TYR 2 4.873 17.333 14.693 21 H LEU 3 H LEU 3 7.300 16.434 14.332 22 HA LEU 3 HA LEU 3 9.242 18.071 15.832 23 HG LEU 3 HG LEU 3 6.622 17.055 17.074 24 HB2 LEU 3 2HB LEU 3 8.204 15.284 16.374 25 HB3 LEU 3 1HB LEU 3 9.467 16.073 17.303 26 HD11 LEU 3 1HD1 LEU 3 6.387 16.322 19.378 27 HD12 LEU 3 2HD1 LEU 3 8.031 15.684 19.356 28 HD13 LEU 3 3HD1 LEU 3 6.790 14.961 18.331 29 HD21 LEU 3 3HD2 LEU 3 8.242 18.851 17.425 30 HD22 LEU 3 1HD2 LEU 3 8.915 17.977 18.802 31 HD23 LEU 3 2HD2 LEU 3 7.261 18.588 18.868 32 H LYS 4 H LYS 4 9.723 17.646 13.185 33 HA LYS 4 HA LYS 4 11.204 16.859 11.649 34 HB2 LYS 4 2HB LYS 4 12.748 17.271 13.726 35 HB3 LYS 4 1HB LYS 4 12.763 15.520 13.854 36 HG2 LYS 4 2HG LYS 4 14.710 16.192 12.663 37 HG3 LYS 4 1HG LYS 4 13.612 15.425 11.513 38 HD2 LYS 4 2HD LYS 4 12.826 17.689 10.849 39 HD3 LYS 4 1HD LYS 4 14.057 18.382 11.906 40 HE2 LYS 4 2HE LYS 4 15.787 17.191 10.602 41 HE3 LYS 4 1HE LYS 4 14.528 16.614 9.509 42 HZ1 LYS 4 3HZ LYS 4 15.518 19.368 9.894 43 HZ2 LYS 4 1HZ LYS 4 13.980 19.087 9.238 44 HZ3 LYS 4 2HZ LYS 4 15.356 18.485 8.455 45 H ARG 5 H ARG 5 12.492 14.477 11.267 46 HA ARG 5 HA ARG 5 12.422 12.207 11.169 47 HE ARG 5 HE ARG 5 9.108 11.053 14.659 48 HB2 ARG 5 2HB ARG 5 12.080 12.296 13.588 49 HB3 ARG 5 1HB ARG 5 10.354 12.499 13.353 50 HG2 ARG 5 2HG ARG 5 10.167 10.276 12.444 51 HG3 ARG 5 1HG ARG 5 11.919 10.063 12.527 52 HD2 ARG 5 2HD ARG 5 10.687 8.981 14.390 53 HD3 ARG 5 1HD ARG 5 11.881 10.164 14.918 54 HH11 ARG 5 1HH1 ARG 5 11.783 10.113 16.700 55 HH12 ARG 5 2HH1 ARG 5 11.090 10.784 18.149 56 HH21 ARG 5 1HH2 ARG 5 8.181 11.964 16.556 57 HH22 ARG 5 2HH2 ARG 5 9.028 11.820 18.072 58 H VAL 6 H VAL 6 11.127 10.433 10.344 59 HA VAL 6 HA VAL 6 8.898 11.259 8.710 60 HB VAL 6 HB VAL 6 9.917 8.451 9.209 61 HG11 VAL 6 1HG1 VAL 6 8.872 7.938 7.066 62 HG12 VAL 6 2HG1 VAL 6 8.301 9.601 6.934 63 HG13 VAL 6 3HG1 VAL 6 7.689 8.556 8.218 64 HG21 VAL 6 3HG2 VAL 6 11.739 9.828 8.393 65 HG22 VAL 6 1HG2 VAL 6 10.731 10.413 7.066 66 HG23 VAL 6 2HG2 VAL 6 11.204 8.715 7.134 67 H ASP 7 H ASP 7 6.764 10.947 9.144 68 HA ASP 7 HA ASP 7 6.105 10.439 11.908 69 HB2 ASP 7 2HB ASP 7 4.293 11.113 9.581 70 HB3 ASP 7 1HB ASP 7 3.845 11.149 11.287 71 H GLY 8 H GLY 8 6.170 8.624 9.049 72 HA2 GLY 8 2HA GLY 8 4.515 6.541 10.316 73 HA3 GLY 8 1HA GLY 8 4.766 6.688 8.579 74 HA PRO 9 HA PRO 9 8.162 4.129 11.052 75 HB2 PRO 9 2HB PRO 9 6.425 1.840 10.269 76 HB3 PRO 9 1HB PRO 9 7.397 2.069 11.727 77 HG2 PRO 9 2HG PRO 9 4.746 2.338 11.806 78 HG3 PRO 9 1HG PRO 9 5.801 3.416 12.740 79 HD2 PRO 9 2HD PRO 9 4.327 3.938 10.195 80 HD3 PRO 9 1HD PRO 9 4.638 5.023 11.566 81 H ARG 10 H ARG 10 9.723 2.924 9.902 82 HA ARG 10 HA ARG 10 9.498 3.212 7.016 83 HE ARG 10 HE ARG 10 13.783 2.318 6.859 84 HB2 ARG 10 2HB ARG 10 11.842 2.823 6.920 85 HB3 ARG 10 1HB ARG 10 11.570 3.868 8.308 86 HG2 ARG 10 2HG ARG 10 11.681 1.877 9.768 87 HG3 ARG 10 1HG ARG 10 12.084 0.905 8.353 88 HD2 ARG 10 2HD ARG 10 13.681 3.220 9.447 89 HD3 ARG 10 1HD ARG 10 14.094 1.514 9.591 90 HH11 ARG 10 1HH1 ARG 10 15.989 2.246 9.578 91 HH12 ARG 10 2HH1 ARG 10 17.414 2.434 8.596 92 HH21 ARG 10 1HH2 ARG 10 15.661 2.552 5.550 93 HH22 ARG 10 2HH2 ARG 10 17.232 2.577 6.304 94 H GLN 11 H GLN 11 9.124 0.828 9.416 95 HA GLN 11 HA GLN 11 8.352 -1.079 7.406 96 HB2 GLN 11 2HB GLN 11 9.713 -2.928 8.314 97 HB3 GLN 11 1HB GLN 11 10.695 -1.664 7.588 98 HG2 GLN 11 2HG GLN 11 11.380 -0.855 9.699 99 HG3 GLN 11 1HG GLN 11 10.169 -1.822 10.538 100 HE21 GLN 11 1HE2 GLN 11 12.089 -3.060 7.897 101 HE22 GLN 11 2HE2 GLN 11 13.025 -4.163 8.844 102 H VAL 12 H VAL 12 6.709 -2.310 8.045 103 HA VAL 12 HA VAL 12 6.056 -2.320 10.918 104 HB VAL 12 HB VAL 12 3.658 -2.522 10.256 105 HG11 VAL 12 1HG1 VAL 12 4.663 -0.378 10.934 106 HG12 VAL 12 2HG1 VAL 12 3.342 -0.169 9.785 107 HG13 VAL 12 3HG1 VAL 12 5.016 -0.026 9.242 108 HG21 VAL 12 3HG2 VAL 12 4.685 -1.826 7.502 109 HG22 VAL 12 1HG2 VAL 12 2.989 -1.896 7.986 110 HG23 VAL 12 2HG2 VAL 12 3.969 -3.364 7.985 111 H THR 13 H THR 13 5.227 -4.230 11.782 112 HA THR 13 HA THR 13 6.000 -6.612 10.315 113 HB THR 13 HB THR 13 5.011 -6.384 13.165 114 HG1 THR 13 HG1 THR 13 7.720 -6.586 12.290 115 HG21 THR 13 3HG2 THR 13 4.884 -8.647 12.217 116 HG22 THR 13 1HG2 THR 13 6.117 -8.542 13.473 117 HG23 THR 13 2HG2 THR 13 6.589 -8.556 11.773 118 H LEU 14 H LEU 14 4.587 -7.784 9.225 119 HA LEU 14 HA LEU 14 1.800 -7.279 9.161 120 HG LEU 14 HG LEU 14 2.917 -8.926 5.943 121 HB2 LEU 14 2HB LEU 14 3.464 -9.610 8.202 122 HB3 LEU 14 1HB LEU 14 1.732 -9.546 7.981 123 HD11 LEU 14 1HD1 LEU 14 0.739 -7.920 6.346 124 HD12 LEU 14 2HD1 LEU 14 1.798 -6.811 5.467 125 HD13 LEU 14 3HD1 LEU 14 1.507 -6.576 7.192 126 HD21 LEU 14 3HD2 LEU 14 4.928 -7.993 7.026 127 HD22 LEU 14 1HD2 LEU 14 3.983 -6.575 7.481 128 HD23 LEU 14 2HD2 LEU 14 4.254 -6.945 5.779 129 HA PRO 15 HA PRO 15 0.191 -9.694 12.550 130 HB2 PRO 15 2HB PRO 15 -1.711 -10.903 10.624 131 HB3 PRO 15 1HB PRO 15 -2.032 -10.026 12.121 132 HG2 PRO 15 2HG PRO 15 -2.478 -8.896 9.746 133 HG3 PRO 15 1HG PRO 15 -1.843 -7.951 11.107 134 HD2 PRO 15 2HD PRO 15 -0.417 -9.038 8.716 135 HD3 PRO 15 1HD PRO 15 -0.189 -7.493 9.561 136 H ASP 16 H ASP 16 1.006 -11.179 9.516 137 HA ASP 16 HA ASP 16 1.088 -13.894 10.374 138 HB2 ASP 16 2HB ASP 16 1.012 -13.228 7.999 139 HB3 ASP 16 1HB ASP 16 2.597 -12.484 8.156 140 H GLY 17 H GLY 17 3.322 -11.209 10.463 141 HA2 GLY 17 2HA GLY 17 5.183 -11.293 12.065 142 HA3 GLY 17 1HA GLY 17 5.407 -12.974 11.590 143 H THR 18 H THR 18 4.534 -11.383 8.889 144 HA THR 18 HA THR 18 7.140 -11.435 7.729 145 HB THR 18 HB THR 18 4.806 -10.052 6.454 146 HG1 THR 18 HG1 THR 18 5.069 -12.877 6.831 147 HG21 THR 18 3HG2 THR 18 6.863 -12.006 5.412 148 HG22 THR 18 1HG2 THR 18 6.924 -10.253 5.230 149 HG23 THR 18 2HG2 THR 18 5.640 -11.174 4.451 150 H VAL 19 H VAL 19 8.010 -9.473 6.524 151 HA VAL 19 HA VAL 19 7.631 -7.060 8.175 152 HB VAL 19 HB VAL 19 10.085 -7.824 6.584 153 HG11 VAL 19 1HG1 VAL 19 11.143 -5.974 7.793 154 HG12 VAL 19 2HG1 VAL 19 9.602 -5.603 8.567 155 HG13 VAL 19 3HG1 VAL 19 9.779 -5.418 6.822 156 HG21 VAL 19 3HG2 VAL 19 9.762 -9.328 8.483 157 HG22 VAL 19 1HG2 VAL 19 9.614 -7.941 9.561 158 HG23 VAL 19 2HG2 VAL 19 11.143 -8.261 8.742 159 H LEU 20 H LEU 20 6.729 -5.391 7.211 160 HA LEU 20 HA LEU 20 6.963 -5.126 4.285 161 HG LEU 20 HG LEU 20 5.011 -2.544 4.440 162 HB2 LEU 20 2HB LEU 20 4.672 -5.509 4.865 163 HB3 LEU 20 1HB LEU 20 4.735 -4.325 6.154 164 HD11 LEU 20 1HD1 LEU 20 5.973 -3.909 2.659 165 HD12 LEU 20 2HD1 LEU 20 4.529 -3.058 2.109 166 HD13 LEU 20 3HD1 LEU 20 4.446 -4.776 2.495 167 HD21 LEU 20 3HD2 LEU 20 2.825 -3.038 5.376 168 HD22 LEU 20 1HD2 LEU 20 2.566 -4.283 4.151 169 HD23 LEU 20 2HD2 LEU 20 2.687 -2.589 3.676 170 H SER 21 H SER 21 8.689 -3.806 4.097 171 HA SER 21 HA SER 21 8.776 -1.410 5.765 172 HG SER 21 HG SER 21 10.495 -3.515 3.479 173 HB2 SER 21 2HB SER 21 11.080 -1.144 4.948 174 HB3 SER 21 1HB SER 21 10.834 -2.734 5.667 175 H ARG 22 H ARG 22 9.606 0.587 4.615 176 HA ARG 22 HA ARG 22 7.889 1.239 2.436 177 HE ARG 22 HE ARG 22 7.145 4.486 6.452 178 HB2 ARG 22 2HB ARG 22 10.188 2.702 3.735 179 HB3 ARG 22 1HB ARG 22 9.220 3.387 2.435 180 HG2 ARG 22 2HG ARG 22 7.232 3.260 3.782 181 HG3 ARG 22 1HG ARG 22 8.115 2.432 5.063 182 HD2 ARG 22 2HD ARG 22 9.421 4.378 5.520 183 HD3 ARG 22 1HD ARG 22 8.780 5.208 4.097 184 HH11 ARG 22 1HH1 ARG 22 8.027 6.739 3.903 185 HH12 ARG 22 2HH1 ARG 22 6.753 7.862 4.298 186 HH21 ARG 22 1HH2 ARG 22 5.471 5.955 6.942 187 HH22 ARG 22 2HH2 ARG 22 5.303 7.413 6.011 188 H ALA 23 H ALA 23 10.658 -0.522 2.564 189 HA ALA 23 HA ALA 23 11.463 0.116 -0.177 190 HB1 ALA 23 3HB ALA 23 13.353 -1.378 0.234 191 HB2 ALA 23 1HB ALA 23 12.706 -1.773 1.824 192 HB3 ALA 23 2HB ALA 23 13.255 -0.133 1.479 193 H ASP 24 H ASP 24 9.340 -1.835 1.494 194 HA ASP 24 HA ASP 24 9.376 -4.003 -0.463 195 HB2 ASP 24 2HB ASP 24 7.807 -3.562 2.077 196 HB3 ASP 24 1HB ASP 24 7.398 -4.843 0.942 197 H LEU 25 H LEU 25 7.803 -1.051 0.248 198 HA LEU 25 HA LEU 25 5.392 -1.276 -1.096 199 HG LEU 25 HG LEU 25 5.901 0.286 1.200 200 HB2 LEU 25 2HB LEU 25 7.319 1.016 -0.793 201 HB3 LEU 25 1HB LEU 25 5.815 1.194 -1.675 202 HD11 LEU 25 1HD1 LEU 25 5.340 2.602 1.785 203 HD12 LEU 25 2HD1 LEU 25 5.587 3.079 0.105 204 HD13 LEU 25 3HD1 LEU 25 6.944 2.478 1.059 205 HD21 LEU 25 3HD2 LEU 25 3.854 -0.227 -0.023 206 HD22 LEU 25 1HD2 LEU 25 3.723 1.457 -0.529 207 HD23 LEU 25 2HD2 LEU 25 3.565 1.034 1.174 208 HA PRO 26 HA PRO 26 6.669 -2.194 -5.248 209 HB2 PRO 26 2HB PRO 26 4.367 -1.380 -6.506 210 HB3 PRO 26 1HB PRO 26 4.547 -2.935 -5.691 211 HG2 PRO 26 2HG PRO 26 3.282 -0.414 -4.701 212 HG3 PRO 26 1HG PRO 26 2.737 -2.092 -4.518 213 HD2 PRO 26 2HD PRO 26 3.970 -0.769 -2.528 214 HD3 PRO 26 1HD PRO 26 4.202 -2.512 -2.782 215 HA PRO 27 HA PRO 27 8.262 1.662 -6.686 216 HB2 PRO 27 2HB PRO 27 8.693 1.031 -9.309 217 HB3 PRO 27 1HB PRO 27 9.740 0.488 -7.991 218 HG2 PRO 27 2HG PRO 27 7.534 -0.983 -9.386 219 HG3 PRO 27 1HG PRO 27 9.142 -1.565 -8.908 220 HD2 PRO 27 2HD PRO 27 6.944 -2.130 -7.467 221 HD3 PRO 27 1HD PRO 27 8.520 -1.846 -6.699 222 H LEU 28 H LEU 28 7.698 3.494 -7.891 223 HA LEU 28 HA LEU 28 4.946 3.816 -8.490 224 HG LEU 28 HG LEU 28 7.379 5.481 -6.951 225 HB2 LEU 28 2HB LEU 28 7.240 5.582 -9.343 226 HB3 LEU 28 1HB LEU 28 5.550 6.037 -9.282 227 HD11 LEU 28 1HD1 LEU 28 5.848 7.930 -7.810 228 HD12 LEU 28 2HD1 LEU 28 7.592 7.694 -7.924 229 HD13 LEU 28 3HD1 LEU 28 6.815 7.785 -6.344 230 HD21 LEU 28 3HD2 LEU 28 5.461 5.919 -5.507 231 HD22 LEU 28 1HD2 LEU 28 5.203 4.482 -6.496 232 HD23 LEU 28 2HD2 LEU 28 4.408 5.999 -6.921 233 H ASP 29 H ASP 29 7.530 2.559 -10.253 234 HA ASP 29 HA ASP 29 6.655 3.082 -12.904 235 HB2 ASP 29 2HB ASP 29 8.352 0.803 -11.851 236 HB3 ASP 29 1HB ASP 29 8.191 1.260 -13.542 237 H THR 30 H THR 30 5.396 1.153 -10.451 238 HA THR 30 HA THR 30 4.348 -0.907 -12.191 239 HB THR 30 HB THR 30 3.773 -0.399 -9.265 240 HG1 THR 30 HG1 THR 30 5.950 -0.935 -9.601 241 HG21 THR 30 3HG2 THR 30 3.248 -2.812 -11.006 242 HG22 THR 30 1HG2 THR 30 2.030 -1.715 -10.356 243 HG23 THR 30 2HG2 THR 30 2.974 -2.726 -9.264 244 H ARG 31 H ARG 31 2.945 0.025 -13.599 245 HA ARG 31 HA ARG 31 0.552 1.185 -12.374 246 HE ARG 31 HE ARG 31 -2.484 3.553 -13.673 247 HB2 ARG 31 2HB ARG 31 1.767 2.258 -14.407 248 HB3 ARG 31 1HB ARG 31 0.984 0.983 -15.335 249 HG2 ARG 31 2HG ARG 31 -0.371 2.956 -15.416 250 HG3 ARG 31 1HG ARG 31 -1.193 1.729 -14.446 251 HD2 ARG 31 2HD ARG 31 -0.066 2.860 -12.433 252 HD3 ARG 31 1HD ARG 31 0.236 4.203 -13.530 253 HH11 ARG 31 1HH1 ARG 31 -0.151 4.891 -11.437 254 HH12 ARG 31 2HH1 ARG 31 -1.325 5.783 -10.524 255 HH21 ARG 31 1HH2 ARG 31 -4.058 4.724 -12.462 256 HH22 ARG 31 2HH2 ARG 31 -3.544 5.701 -11.117 257 H ARG 32 H ARG 32 1.807 -1.591 -13.992 258 HA ARG 32 HA ARG 32 -0.774 -2.802 -14.398 259 HE ARG 32 HE ARG 32 3.521 -6.565 -14.066 260 HB2 ARG 32 2HB ARG 32 0.490 -4.816 -15.035 261 HB3 ARG 32 1HB ARG 32 1.041 -3.396 -15.908 262 HG2 ARG 32 2HG ARG 32 2.973 -3.222 -14.432 263 HG3 ARG 32 1HG ARG 32 2.415 -4.636 -13.531 264 HD2 ARG 32 2HD ARG 32 2.398 -5.561 -16.097 265 HD3 ARG 32 1HD ARG 32 3.782 -4.465 -16.116 266 HH11 ARG 32 1HH1 ARG 32 5.312 -5.043 -16.664 267 HH12 ARG 32 2HH1 ARG 32 6.750 -5.994 -16.400 268 HH21 ARG 32 1HH2 ARG 32 5.379 -7.840 -13.737 269 HH22 ARG 32 2HH2 ARG 32 6.780 -7.597 -14.743 270 H TRP 33 H TRP 33 -1.406 -2.319 -12.194 271 HA TRP 33 HA TRP 33 -0.140 -3.432 -9.951 272 HD1 TRP 33 HD1 TRP 33 -2.231 -0.006 -11.119 273 HE1 TRP 33 HE1 TRP 33 -0.914 1.873 -9.955 274 HE3 TRP 33 HE3 TRP 33 -0.384 -2.650 -7.163 275 HZ2 TRP 33 HZ2 TRP 33 0.696 2.188 -7.651 276 HZ3 TRP 33 HZ3 TRP 33 1.027 -1.492 -5.522 277 HH2 TRP 33 HH2 TRP 33 1.559 0.877 -5.762 278 HB2 TRP 33 2HB TRP 33 -2.937 -2.426 -10.410 279 HB3 TRP 33 1HB TRP 33 -2.389 -3.006 -8.840 280 H VAL 34 H VAL 34 -0.011 -5.412 -9.263 281 HA VAL 34 HA VAL 34 -2.106 -7.350 -9.958 282 HB VAL 34 HB VAL 34 -0.521 -9.101 -9.272 283 HG11 VAL 34 1HG1 VAL 34 -0.573 -8.437 -11.606 284 HG12 VAL 34 2HG1 VAL 34 1.068 -8.870 -11.128 285 HG13 VAL 34 3HG1 VAL 34 0.616 -7.173 -11.293 286 HG21 VAL 34 3HG2 VAL 34 0.745 -7.861 -7.609 287 HG22 VAL 34 1HG2 VAL 34 1.425 -6.833 -8.870 288 HG23 VAL 34 2HG2 VAL 34 1.825 -8.551 -8.821 289 H ALA 35 H ALA 35 -2.416 -9.017 -8.103 290 HA ALA 35 HA ALA 35 -3.723 -7.679 -6.047 291 HB1 ALA 35 3HB ALA 35 -4.287 -9.940 -6.762 292 HB2 ALA 35 1HB ALA 35 -4.028 -9.863 -5.020 293 HB3 ALA 35 2HB ALA 35 -2.782 -10.541 -6.067 294 H SER 36 H SER 36 -0.596 -9.376 -5.941 295 HA SER 36 HA SER 36 -0.112 -9.044 -3.212 296 HG SER 36 HG SER 36 2.096 -9.480 -2.662 297 HB2 SER 36 2HB SER 36 1.141 -10.602 -4.637 298 HB3 SER 36 1HB SER 36 1.897 -9.243 -5.466 299 H ARG 37 H ARG 37 0.790 -6.922 -5.931 300 HA ARG 37 HA ARG 37 2.319 -5.178 -4.272 301 HE ARG 37 HE ARG 37 5.178 -6.673 -7.910 302 HB2 ARG 37 2HB ARG 37 1.247 -4.758 -7.067 303 HB3 ARG 37 1HB ARG 37 2.377 -3.679 -6.253 304 HG2 ARG 37 2HG ARG 37 3.890 -5.704 -5.990 305 HG3 ARG 37 1HG ARG 37 2.819 -6.517 -7.127 306 HD2 ARG 37 2HD ARG 37 3.313 -4.837 -8.823 307 HD3 ARG 37 1HD ARG 37 4.343 -3.970 -7.680 308 HH11 ARG 37 1HH1 ARG 37 5.327 -3.610 -9.641 309 HH12 ARG 37 2HH1 ARG 37 6.768 -4.044 -10.513 310 HH21 ARG 37 1HH2 ARG 37 7.053 -7.225 -9.061 311 HH22 ARG 37 2HH2 ARG 37 7.757 -6.085 -10.171 312 H LYS 38 H LYS 38 -1.017 -5.176 -5.442 313 HA LYS 38 HA LYS 38 -1.739 -2.657 -4.367 314 HB2 LYS 38 2HB LYS 38 -3.379 -5.138 -4.877 315 HB3 LYS 38 1HB LYS 38 -4.073 -3.636 -4.289 316 HG2 LYS 38 2HG LYS 38 -3.151 -2.530 -6.349 317 HG3 LYS 38 1HG LYS 38 -2.768 -4.149 -6.943 318 HD2 LYS 38 2HD LYS 38 -5.122 -4.781 -6.727 319 HD3 LYS 38 1HD LYS 38 -5.505 -3.164 -6.141 320 HE2 LYS 38 2HE LYS 38 -4.687 -2.242 -8.289 321 HE3 LYS 38 1HE LYS 38 -4.436 -3.888 -8.863 322 HZ1 LYS 38 3HZ LYS 38 -6.526 -3.102 -9.670 323 HZ2 LYS 38 1HZ LYS 38 -7.023 -2.642 -8.118 324 HZ3 LYS 38 2HZ LYS 38 -6.834 -4.281 -8.489 325 H ALA 39 H ALA 39 -1.850 -5.937 -3.071 326 HA ALA 39 HA ALA 39 -3.083 -5.428 -0.634 327 HB1 ALA 39 3HB ALA 39 -2.119 -7.526 0.128 328 HB2 ALA 39 1HB ALA 39 -0.976 -7.508 -1.215 329 HB3 ALA 39 2HB ALA 39 -2.703 -7.682 -1.527 330 H ALA 40 H ALA 40 0.374 -5.398 -1.449 331 HA ALA 40 HA ALA 40 1.370 -4.895 1.114 332 HB1 ALA 40 3HB ALA 40 2.500 -3.910 -1.510 333 HB2 ALA 40 1HB ALA 40 2.772 -5.508 -0.812 334 HB3 ALA 40 2HB ALA 40 3.372 -4.070 0.014 335 H VAL 41 H VAL 41 0.292 -2.619 -1.405 336 HA VAL 41 HA VAL 41 0.991 -0.261 -0.017 337 HB VAL 41 HB VAL 41 -1.161 -0.649 -2.104 338 HG11 VAL 41 1HG1 VAL 41 -1.515 1.411 -0.855 339 HG12 VAL 41 2HG1 VAL 41 -0.948 1.764 -2.487 340 HG13 VAL 41 3HG1 VAL 41 0.163 1.880 -1.125 341 HG21 VAL 41 3HG2 VAL 41 0.521 0.194 -3.664 342 HG22 VAL 41 1HG2 VAL 41 1.052 -1.293 -2.884 343 HG23 VAL 41 2HG2 VAL 41 1.702 0.259 -2.357 344 H VAL 42 H VAL 42 -2.159 -1.932 -0.271 345 HA VAL 42 HA VAL 42 -3.502 -0.067 1.390 346 HB VAL 42 HB VAL 42 -4.687 -1.533 -0.203 347 HG11 VAL 42 1HG1 VAL 42 -4.116 -3.739 1.766 348 HG12 VAL 42 2HG1 VAL 42 -3.484 -3.610 0.126 349 HG13 VAL 42 3HG1 VAL 42 -5.211 -3.848 0.388 350 HG21 VAL 42 3HG2 VAL 42 -6.612 -2.014 1.215 351 HG22 VAL 42 1HG2 VAL 42 -5.907 -0.444 1.593 352 HG23 VAL 42 2HG2 VAL 42 -5.606 -1.823 2.649 353 H LYS 43 H LYS 43 -1.913 -3.186 2.098 354 HA LYS 43 HA LYS 43 -2.631 -3.295 4.834 355 HB2 LYS 43 2HB LYS 43 -0.198 -4.402 3.417 356 HB3 LYS 43 1HB LYS 43 -0.580 -4.732 5.099 357 HG2 LYS 43 2HG LYS 43 -2.553 -5.928 4.496 358 HG3 LYS 43 1HG LYS 43 -2.407 -5.425 2.809 359 HD2 LYS 43 2HD LYS 43 -0.252 -6.646 2.674 360 HD3 LYS 43 1HD LYS 43 -0.504 -7.212 4.325 361 HE2 LYS 43 2HE LYS 43 -2.493 -7.713 2.130 362 HE3 LYS 43 1HE LYS 43 -1.141 -8.798 2.438 363 HZ1 LYS 43 3HZ LYS 43 -3.199 -8.069 4.448 364 HZ2 LYS 43 1HZ LYS 43 -1.955 -9.206 4.644 365 HZ3 LYS 43 2HZ LYS 43 -3.207 -9.495 3.536 366 H ALA 44 H ALA 44 -0.107 -1.600 3.095 367 HA ALA 44 HA ALA 44 1.503 -0.860 5.282 368 HB1 ALA 44 3HB ALA 44 1.054 0.643 2.702 369 HB2 ALA 44 1HB ALA 44 2.232 -0.645 2.946 370 HB3 ALA 44 2HB ALA 44 2.396 0.875 3.823 371 H VAL 45 H VAL 45 -1.239 0.774 3.734 372 HA VAL 45 HA VAL 45 -1.178 3.046 5.451 373 HB VAL 45 HB VAL 45 -3.472 1.973 3.792 374 HG11 VAL 45 1HG1 VAL 45 -4.350 4.260 3.917 375 HG12 VAL 45 2HG1 VAL 45 -3.030 4.703 4.999 376 HG13 VAL 45 3HG1 VAL 45 -4.228 3.517 5.512 377 HG21 VAL 45 3HG2 VAL 45 -1.408 4.077 3.130 378 HG22 VAL 45 1HG2 VAL 45 -2.765 3.596 2.112 379 HG23 VAL 45 2HG2 VAL 45 -1.472 2.449 2.457 380 H ILE 46 H ILE 46 -2.988 0.019 5.435 381 HA ILE 46 HA ILE 46 -4.723 0.622 7.569 382 HB ILE 46 HB ILE 46 -3.789 -2.009 6.433 383 HG12 ILE 46 2HG1 ILE 46 -6.414 -0.514 6.238 384 HG13 ILE 46 1HG1 ILE 46 -5.183 -0.581 4.982 385 HG21 ILE 46 1HG2 ILE 46 -5.580 -3.092 7.691 386 HG22 ILE 46 2HG2 ILE 46 -5.937 -1.567 8.499 387 HG23 ILE 46 3HG2 ILE 46 -4.387 -2.364 8.769 388 HD11 ILE 46 3HD1 ILE 46 -6.753 -2.923 6.041 389 HD12 ILE 46 1HD1 ILE 46 -5.531 -2.985 4.769 390 HD13 ILE 46 2HD1 ILE 46 -7.031 -2.090 4.510 391 H HIS 47 H HIS 47 -1.491 -0.818 7.503 392 HA HIS 47 HA HIS 47 -1.559 -1.381 10.337 393 HD1 HIS 47 HD1 HIS 47 -1.882 -3.529 10.338 394 HD2 HIS 47 HD2 HIS 47 0.868 -4.123 7.279 395 HE1 HIS 47 HE1 HIS 47 -2.314 -5.849 9.477 396 HE2 HIS 47 HE2 HIS 47 -0.518 -6.245 7.768 397 HB2 HIS 47 2HB HIS 47 0.669 -1.594 8.313 398 HB3 HIS 47 1HB HIS 47 0.852 -2.006 10.013 399 H GLY 48 H GLY 48 -0.512 1.233 8.302 400 HA2 GLY 48 2HA GLY 48 -0.350 3.407 9.359 401 HA3 GLY 48 1HA GLY 48 0.382 2.621 10.746 402 H LEU 49 H LEU 49 1.635 1.253 7.996 403 HA LEU 49 HA LEU 49 4.240 2.217 8.308 404 HG LEU 49 HG LEU 49 5.128 2.165 5.364 405 HB2 LEU 49 2HB LEU 49 3.704 0.149 7.101 406 HB3 LEU 49 1HB LEU 49 2.897 1.073 5.849 407 HD11 LEU 49 1HD1 LEU 49 7.128 0.991 6.117 408 HD12 LEU 49 2HD1 LEU 49 6.133 -0.068 7.118 409 HD13 LEU 49 3HD1 LEU 49 6.218 1.657 7.474 410 HD21 LEU 49 3HD2 LEU 49 4.206 0.414 3.944 411 HD22 LEU 49 1HD2 LEU 49 4.908 -0.820 4.986 412 HD23 LEU 49 2HD2 LEU 49 5.957 0.259 4.068 413 H ILE 50 H ILE 50 1.891 2.990 5.756 414 HA ILE 50 HA ILE 50 3.051 5.697 5.618 415 HB ILE 50 HB ILE 50 2.556 5.792 3.227 416 HG12 ILE 50 2HG1 ILE 50 1.956 2.838 3.319 417 HG13 ILE 50 1HG1 ILE 50 0.685 4.054 3.410 418 HG21 ILE 50 1HG2 ILE 50 4.230 3.383 3.924 419 HG22 ILE 50 2HG2 ILE 50 4.780 5.059 3.921 420 HG23 ILE 50 3HG2 ILE 50 4.295 4.287 2.411 421 HD11 ILE 50 3HD1 ILE 50 2.632 3.701 1.144 422 HD12 ILE 50 1HD1 ILE 50 1.355 4.917 1.234 423 HD13 ILE 50 2HD1 ILE 50 0.937 3.204 1.155 424 H THR 51 H THR 51 1.454 7.326 4.823 425 HA THR 51 HA THR 51 -1.170 6.696 5.887 426 HB THR 51 HB THR 51 -0.322 8.821 6.586 427 HG1 THR 51 HG1 THR 51 -2.003 10.225 5.640 428 HG21 THR 51 3HG2 THR 51 1.236 9.206 4.703 429 HG22 THR 51 1HG2 THR 51 0.252 10.620 5.079 430 HG23 THR 51 2HG2 THR 51 -0.142 9.620 3.684 431 H GLU 52 H GLU 52 -3.095 7.171 4.735 432 HA GLU 52 HA GLU 52 -3.327 5.863 2.300 433 HB2 GLU 52 2HB GLU 52 -5.127 6.324 3.994 434 HB3 GLU 52 1HB GLU 52 -5.182 7.978 3.406 435 HG2 GLU 52 2HG GLU 52 -5.792 7.107 1.170 436 HG3 GLU 52 1HG GLU 52 -5.861 5.480 1.870 437 H ARG 53 H ARG 53 -3.092 9.304 3.034 438 HA ARG 53 HA ARG 53 -3.473 10.215 0.374 439 HE ARG 53 HE ARG 53 -6.283 10.314 2.353 440 HB2 ARG 53 2HB ARG 53 -2.152 11.575 2.731 441 HB3 ARG 53 1HB ARG 53 -2.595 12.370 1.227 442 HG2 ARG 53 2HG ARG 53 -4.498 11.054 3.156 443 HG3 ARG 53 1HG ARG 53 -4.241 12.789 2.969 444 HD2 ARG 53 2HD ARG 53 -5.661 12.882 1.255 445 HD3 ARG 53 1HD ARG 53 -4.829 11.566 0.426 446 HH11 ARG 53 1HH1 ARG 53 -7.080 12.571 -0.211 447 HH12 ARG 53 2HH1 ARG 53 -8.681 11.934 -0.431 448 HH21 ARG 53 1HH2 ARG 53 -8.350 9.437 2.030 449 HH22 ARG 53 2HH2 ARG 53 -9.422 10.166 0.860 450 H GLU 54 H GLU 54 -0.728 9.050 2.126 451 HA GLU 54 HA GLU 54 1.322 10.091 0.463 452 HB2 GLU 54 2HB GLU 54 1.828 9.271 2.686 453 HB3 GLU 54 1HB GLU 54 1.220 7.676 2.284 454 HG2 GLU 54 2HG GLU 54 3.600 7.604 2.316 455 HG3 GLU 54 1HG GLU 54 3.055 7.434 0.651 456 H ALA 55 H ALA 55 -0.464 7.035 0.557 457 HA ALA 55 HA ALA 55 0.869 5.846 -1.644 458 HB1 ALA 55 3HB ALA 55 -1.903 5.283 -0.589 459 HB2 ALA 55 1HB ALA 55 -0.411 4.557 0.007 460 HB3 ALA 55 2HB ALA 55 -0.952 4.232 -1.639 461 H LEU 56 H LEU 56 -2.191 7.619 -1.371 462 HA LEU 56 HA LEU 56 -2.966 7.427 -4.064 463 HG LEU 56 HG LEU 56 -4.274 7.460 -1.222 464 HB2 LEU 56 2HB LEU 56 -3.549 9.664 -2.121 465 HB3 LEU 56 1HB LEU 56 -4.436 9.319 -3.592 466 HD11 LEU 56 1HD1 LEU 56 -5.473 9.502 -0.658 467 HD12 LEU 56 2HD1 LEU 56 -6.574 8.129 -0.772 468 HD13 LEU 56 3HD1 LEU 56 -6.493 9.309 -2.081 469 HD21 LEU 56 3HD2 LEU 56 -4.651 6.301 -3.322 470 HD22 LEU 56 1HD2 LEU 56 -5.975 7.399 -3.711 471 HD23 LEU 56 2HD2 LEU 56 -6.117 6.294 -2.342 472 H ASP 57 H ASP 57 -0.789 9.593 -2.412 473 HA ASP 57 HA ASP 57 -0.608 11.524 -4.505 474 HB2 ASP 57 2HB ASP 57 -0.078 12.086 -2.179 475 HB3 ASP 57 1HB ASP 57 1.265 10.950 -2.199 476 H ARG 58 H ARG 58 1.654 9.029 -3.358 477 HA ARG 58 HA ARG 58 3.544 9.606 -5.395 478 HE ARG 58 HE ARG 58 4.280 7.717 -1.107 479 HB2 ARG 58 2HB ARG 58 4.768 7.661 -4.568 480 HB3 ARG 58 1HB ARG 58 4.231 8.691 -3.249 481 HG2 ARG 58 2HG ARG 58 2.417 7.157 -2.758 482 HG3 ARG 58 1HG ARG 58 2.906 6.132 -4.110 483 HD2 ARG 58 2HD ARG 58 3.709 5.309 -1.919 484 HD3 ARG 58 1HD ARG 58 5.012 5.653 -3.055 485 HH11 ARG 58 1HH1 ARG 58 6.557 5.260 -2.163 486 HH12 ARG 58 2HH1 ARG 58 7.868 5.899 -1.225 487 HH21 ARG 58 1HH2 ARG 58 5.998 8.551 0.116 488 HH22 ARG 58 2HH2 ARG 58 7.550 7.757 0.088 489 H TYR 59 H TYR 59 1.049 7.111 -5.073 490 HA TYR 59 HA TYR 59 2.000 5.808 -7.492 491 HD1 TYR 59 HD2 TYR 59 2.648 3.428 -7.177 492 HD2 TYR 59 HD1 TYR 59 0.607 4.468 -3.593 493 HE1 TYR 59 HE2 TYR 59 4.265 2.109 -5.883 494 HE2 TYR 59 HE1 TYR 59 2.223 3.147 -2.287 495 HH TYR 59 HH TYR 59 5.063 1.723 -3.792 496 HB2 TYR 59 2HB TYR 59 -0.271 5.151 -5.615 497 HB3 TYR 59 1HB TYR 59 0.117 4.210 -7.051 498 H SER 60 H SER 60 0.202 8.453 -6.932 499 HA SER 60 HA SER 60 -1.402 9.619 -8.032 500 HG SER 60 HG SER 60 -2.342 9.905 -10.153 501 HB2 SER 60 2HB SER 60 0.299 9.317 -9.863 502 HB3 SER 60 1HB SER 60 -0.627 7.923 -10.418 503 H LEU 61 H LEU 61 -2.740 8.212 -6.550 504 HA LEU 61 HA LEU 61 -4.601 6.553 -8.121 505 HG LEU 61 HG LEU 61 -2.149 5.345 -6.623 506 HB2 LEU 61 2HB LEU 61 -3.907 6.338 -5.190 507 HB3 LEU 61 1HB LEU 61 -5.105 5.367 -6.020 508 HD11 LEU 61 1HD1 LEU 61 -2.617 4.395 -4.435 509 HD12 LEU 61 2HD1 LEU 61 -2.176 3.130 -5.582 510 HD13 LEU 61 3HD1 LEU 61 -3.865 3.364 -5.134 511 HD21 LEU 61 3HD2 LEU 61 -2.692 3.366 -7.963 512 HD22 LEU 61 1HD2 LEU 61 -3.502 4.810 -8.568 513 HD23 LEU 61 2HD2 LEU 61 -4.406 3.620 -7.631 514 H SER 62 H SER 62 -6.815 6.533 -7.274 515 HA SER 62 HA SER 62 -7.559 9.121 -6.099 516 HG SER 62 HG SER 62 -8.061 9.827 -8.569 517 HB2 SER 62 2HB SER 62 -9.228 7.331 -7.884 518 HB3 SER 62 1HB SER 62 -9.662 8.942 -7.312 519 H GLU 63 H GLU 63 -9.567 9.043 -4.763 520 HA GLU 63 HA GLU 63 -9.347 7.078 -2.762 521 HB2 GLU 63 2HB GLU 63 -11.351 9.216 -3.351 522 HB3 GLU 63 1HB GLU 63 -11.683 8.031 -2.090 523 HG2 GLU 63 2HG GLU 63 -9.626 8.627 -0.965 524 HG3 GLU 63 1HG GLU 63 -9.253 9.798 -2.229 525 H GLU 64 H GLU 64 -11.530 7.356 -5.522 526 HA GLU 64 HA GLU 64 -13.203 5.194 -4.891 527 HB2 GLU 64 2HB GLU 64 -13.683 5.064 -7.300 528 HB3 GLU 64 1HB GLU 64 -13.717 6.725 -6.722 529 HG2 GLU 64 2HG GLU 64 -11.480 7.086 -7.634 530 HG3 GLU 64 1HG GLU 64 -11.452 5.422 -8.220 531 H GLU 65 H GLU 65 -10.014 5.322 -6.315 532 HA GLU 65 HA GLU 65 -9.900 2.595 -7.134 533 HB2 GLU 65 2HB GLU 65 -8.488 4.383 -8.108 534 HB3 GLU 65 1HB GLU 65 -7.663 4.555 -6.568 535 HG2 GLU 65 2HG GLU 65 -6.263 3.292 -7.997 536 HG3 GLU 65 1HG GLU 65 -6.916 2.189 -6.787 537 H PHE 66 H PHE 66 -8.414 4.378 -4.417 538 HA PHE 66 HA PHE 66 -7.261 2.107 -3.214 539 HD1 PHE 66 HD2 PHE 66 -4.846 2.938 -1.952 540 HD2 PHE 66 HD1 PHE 66 -8.288 3.814 0.391 541 HE1 PHE 66 HE2 PHE 66 -3.706 2.064 0.046 542 HE2 PHE 66 HE1 PHE 66 -7.150 2.952 2.393 543 HZ PHE 66 HZ PHE 66 -4.858 2.070 2.220 544 HB2 PHE 66 2HB PHE 66 -6.610 4.476 -2.743 545 HB3 PHE 66 1HB PHE 66 -8.099 4.656 -1.822 546 H ALA 67 H ALA 67 -10.432 3.597 -2.875 547 HA ALA 67 HA ALA 67 -11.298 2.122 -0.636 548 HB1 ALA 67 3HB ALA 67 -12.425 4.149 -1.477 549 HB2 ALA 67 1HB ALA 67 -13.539 2.792 -1.270 550 HB3 ALA 67 2HB ALA 67 -12.978 3.233 -2.884 551 H LEU 68 H LEU 68 -11.173 1.384 -4.061 552 HA LEU 68 HA LEU 68 -12.659 -1.052 -3.859 553 HG LEU 68 HG LEU 68 -12.727 1.306 -5.904 554 HB2 LEU 68 2HB LEU 68 -10.718 -0.097 -5.968 555 HB3 LEU 68 1HB LEU 68 -11.717 -1.530 -6.107 556 HD11 LEU 68 1HD1 LEU 68 -12.685 -0.609 -8.229 557 HD12 LEU 68 2HD1 LEU 68 -11.677 0.825 -8.052 558 HD13 LEU 68 3HD1 LEU 68 -13.425 0.990 -8.219 559 HD21 LEU 68 3HD2 LEU 68 -14.923 0.345 -6.351 560 HD22 LEU 68 1HD2 LEU 68 -14.243 -0.295 -4.853 561 HD23 LEU 68 2HD2 LEU 68 -14.227 -1.274 -6.320 562 H TRP 69 H TRP 69 -9.248 -0.145 -3.737 563 HA TRP 69 HA TRP 69 -8.118 -2.701 -3.717 564 HD1 TRP 69 HD1 TRP 69 -8.104 -0.801 -5.598 565 HE1 TRP 69 HE1 TRP 69 -6.399 -0.131 -7.400 566 HE3 TRP 69 HE3 TRP 69 -3.925 -0.520 -2.685 567 HZ2 TRP 69 HZ2 TRP 69 -3.642 0.436 -7.564 568 HZ3 TRP 69 HZ3 TRP 69 -1.795 0.093 -3.738 569 HH2 TRP 69 HH2 TRP 69 -1.655 0.559 -6.129 570 HB2 TRP 69 2HB TRP 69 -7.218 -0.131 -2.420 571 HB3 TRP 69 1HB TRP 69 -6.256 -1.602 -2.371 572 H ARG 70 H ARG 70 -9.045 -0.680 -0.921 573 HA ARG 70 HA ARG 70 -8.412 -2.637 1.000 574 HE ARG 70 HE ARG 70 -11.917 0.375 3.241 575 HB2 ARG 70 2HB ARG 70 -9.904 -1.278 2.522 576 HB3 ARG 70 1HB ARG 70 -8.586 -0.403 1.755 577 HG2 ARG 70 2HG ARG 70 -10.214 0.406 0.054 578 HG3 ARG 70 1HG ARG 70 -11.497 -0.345 1.005 579 HD2 ARG 70 2HD ARG 70 -9.583 1.707 2.097 580 HD3 ARG 70 1HD ARG 70 -11.159 2.104 1.416 581 HH11 ARG 70 1HH1 ARG 70 -9.485 2.883 3.512 582 HH12 ARG 70 2HH1 ARG 70 -9.758 3.156 5.205 583 HH21 ARG 70 1HH2 ARG 70 -12.278 0.719 5.474 584 HH22 ARG 70 2HH2 ARG 70 -11.308 1.874 6.339 585 H SER 71 H SER 71 -11.322 -2.109 -0.888 586 HA SER 71 HA SER 71 -12.920 -3.908 0.662 587 HG SER 71 HG SER 71 -13.456 -1.108 -0.769 588 HB2 SER 71 2HB SER 71 -13.353 -2.810 -2.122 589 HB3 SER 71 1HB SER 71 -14.560 -3.674 -1.169 590 H ALA 72 H ALA 72 -10.756 -4.236 -2.052 591 HA ALA 72 HA ALA 72 -11.761 -6.895 -2.685 592 HB1 ALA 72 3HB ALA 72 -11.184 -5.326 -4.501 593 HB2 ALA 72 1HB ALA 72 -10.282 -6.839 -4.584 594 HB3 ALA 72 2HB ALA 72 -9.502 -5.378 -3.976 595 H VAL 73 H VAL 73 -9.159 -5.426 -0.931 596 HA VAL 73 HA VAL 73 -7.769 -8.008 -0.784 597 HB VAL 73 HB VAL 73 -6.792 -5.289 0.109 598 HG11 VAL 73 1HG1 VAL 73 -5.827 -7.118 1.415 599 HG12 VAL 73 2HG1 VAL 73 -4.619 -6.367 0.371 600 HG13 VAL 73 3HG1 VAL 73 -5.323 -7.921 -0.073 601 HG21 VAL 73 3HG2 VAL 73 -6.965 -5.428 -2.317 602 HG22 VAL 73 1HG2 VAL 73 -6.034 -6.925 -2.312 603 HG23 VAL 73 2HG2 VAL 73 -5.275 -5.413 -1.810 604 H ALA 74 H ALA 74 -8.527 -5.320 1.440 605 HA ALA 74 HA ALA 74 -8.086 -6.947 3.739 606 HB1 ALA 74 3HB ALA 74 -7.707 -4.523 3.757 607 HB2 ALA 74 1HB ALA 74 -8.837 -5.019 5.018 608 HB3 ALA 74 2HB ALA 74 -9.437 -4.255 3.545 609 H ALA 75 H ALA 75 -10.956 -5.734 2.085 610 HA ALA 75 HA ALA 75 -12.704 -7.126 3.960 611 HB1 ALA 75 3HB ALA 75 -13.277 -4.847 3.259 612 HB2 ALA 75 1HB ALA 75 -14.525 -6.006 2.798 613 HB3 ALA 75 2HB ALA 75 -13.399 -5.397 1.586 614 H HIS 76 H HIS 76 -10.935 -8.600 2.110 615 HA HIS 76 HA HIS 76 -12.732 -9.707 0.117 616 HD1 HIS 76 HD1 HIS 76 -8.837 -11.563 -1.597 617 HD2 HIS 76 HD2 HIS 76 -12.964 -11.003 -1.644 618 HE1 HIS 76 HE1 HIS 76 -9.669 -12.760 -3.650 619 HE2 HIS 76 HE2 HIS 76 -12.179 -12.536 -3.573 620 HB2 HIS 76 2HB HIS 76 -10.201 -9.276 -0.183 621 HB3 HIS 76 1HB HIS 76 -9.982 -10.764 0.733 622 H GLY 77 H GLY 77 -12.922 -10.059 3.179 623 HA2 GLY 77 2HA GLY 77 -12.882 -12.918 3.510 624 HA3 GLY 77 1HA GLY 77 -13.618 -11.748 4.602 625 H GLU 78 H GLU 78 -14.044 -12.998 1.325 626 HA GLU 78 HA GLU 78 -16.714 -12.093 1.089 627 HB2 GLU 78 2HB GLU 78 -16.668 -13.340 -1.054 628 HB3 GLU 78 1HB GLU 78 -15.288 -12.270 -0.845 629 HG2 GLU 78 2HG GLU 78 -13.881 -14.138 -0.252 630 HG3 GLU 78 1HG GLU 78 -15.262 -15.231 -0.320 631 H LYS 79 H LYS 79 -15.809 -14.429 3.065 632 HA LYS 79 HA LYS 79 -17.821 -16.378 2.247 633 HB2 LYS 79 2HB LYS 79 -15.728 -16.518 4.423 634 HB3 LYS 79 1HB LYS 79 -16.847 -17.811 4.013 635 HG2 LYS 79 2HG LYS 79 -14.713 -16.654 2.226 636 HG3 LYS 79 1HG LYS 79 -14.700 -18.240 3.004 637 HD2 LYS 79 2HD LYS 79 -16.487 -19.016 1.671 638 HD3 LYS 79 1HD LYS 79 -16.870 -17.392 1.105 639 HE2 LYS 79 2HE LYS 79 -14.698 -17.326 -0.063 640 HE3 LYS 79 1HE LYS 79 -14.402 -18.988 0.445 641 HZ1 LYS 79 3HZ LYS 79 -15.382 -18.566 -1.869 642 HZ2 LYS 79 1HZ LYS 79 -16.843 -18.291 -1.054 643 HZ3 LYS 79 2HZ LYS 79 -16.067 -19.793 -0.923 644 H ALA 80 H ALA 80 -17.190 -13.983 4.714 645 HA ALA 80 HA ALA 80 -19.934 -14.057 5.532 646 HB1 ALA 80 3HB ALA 80 -19.586 -14.589 7.878 647 HB2 ALA 80 1HB ALA 80 -17.869 -14.866 7.578 648 HB3 ALA 80 2HB ALA 80 -19.076 -15.934 6.857 649 H LEU 81 H LEU 81 -19.895 -11.888 4.933 650 HA LEU 81 HA LEU 81 -18.111 -10.116 6.420 651 HG LEU 81 HG LEU 81 -17.144 -9.931 4.123 652 HB2 LEU 81 2HB LEU 81 -20.096 -9.455 4.241 653 HB3 LEU 81 1HB LEU 81 -19.011 -8.314 5.006 654 HD11 LEU 81 1HD1 LEU 81 -18.592 -11.684 3.309 655 HD12 LEU 81 2HD1 LEU 81 -17.757 -10.926 1.952 656 HD13 LEU 81 3HD1 LEU 81 -19.448 -10.540 2.276 657 HD21 LEU 81 3HD2 LEU 81 -17.400 -7.609 3.463 658 HD22 LEU 81 1HD2 LEU 81 -18.682 -8.052 2.337 659 HD23 LEU 81 2HD2 LEU 81 -17.035 -8.612 2.060 660 H LYS 82 H LYS 82 -19.415 -11.010 8.313 661 HA LYS 82 HA LYS 82 -21.983 -9.814 8.803 662 HB2 LYS 82 2HB LYS 82 -21.092 -11.982 9.808 663 HB3 LYS 82 1HB LYS 82 -20.062 -10.988 10.823 664 HG2 LYS 82 2HG LYS 82 -21.965 -11.615 12.095 665 HG3 LYS 82 1HG LYS 82 -22.113 -9.898 11.715 666 HD2 LYS 82 2HD LYS 82 -23.693 -10.354 9.973 667 HD3 LYS 82 1HD LYS 82 -23.445 -12.094 10.138 668 HE2 LYS 82 2HE LYS 82 -24.572 -10.294 12.281 669 HE3 LYS 82 1HE LYS 82 -25.536 -11.299 11.201 670 HZ1 LYS 82 3HZ LYS 82 -24.368 -13.256 12.102 671 HZ2 LYS 82 1HZ LYS 82 -25.240 -12.414 13.288 672 HZ3 LYS 82 2HZ LYS 82 -23.554 -12.254 13.202 673 H VAL 83 H VAL 83 -22.398 -8.109 10.323 674 HA VAL 83 HA VAL 83 -21.004 -5.804 9.983 675 HB VAL 83 HB VAL 83 -23.218 -5.842 10.965 676 HG11 VAL 83 1HG1 VAL 83 -23.037 -7.755 12.432 677 HG12 VAL 83 2HG1 VAL 83 -23.550 -6.343 13.357 678 HG13 VAL 83 3HG1 VAL 83 -21.880 -6.901 13.452 679 HG21 VAL 83 3HG2 VAL 83 -21.909 -3.831 11.258 680 HG22 VAL 83 1HG2 VAL 83 -21.190 -4.481 12.733 681 HG23 VAL 83 2HG2 VAL 83 -22.913 -4.103 12.683 682 H THR 84 H THR 84 -20.429 -8.164 12.527 683 HA THR 84 HA THR 84 -18.461 -6.628 13.902 684 HB THR 84 HB THR 84 -18.834 -9.608 14.000 685 HG1 THR 84 HG1 THR 84 -20.173 -8.311 15.948 686 HG21 THR 84 3HG2 THR 84 -17.933 -7.612 16.086 687 HG22 THR 84 1HG2 THR 84 -16.887 -8.732 15.214 688 HG23 THR 84 2HG2 THR 84 -18.102 -9.350 16.333 689 H MET 85 H MET 85 -18.378 -9.255 11.555 690 HA MET 85 HA MET 85 -15.649 -9.885 11.785 691 HB2 MET 85 2HB MET 85 -17.739 -10.432 9.702 692 HB3 MET 85 1HB MET 85 -16.069 -10.904 9.434 693 HG2 MET 85 2HG MET 85 -17.346 -12.760 10.288 694 HG3 MET 85 1HG MET 85 -16.131 -12.263 11.462 695 HE1 MET 85 3HE MET 85 -19.102 -13.553 13.681 696 HE2 MET 85 1HE MET 85 -17.387 -13.725 13.306 697 HE3 MET 85 2HE MET 85 -18.601 -14.186 12.114 698 H ILE 86 H ILE 86 -17.342 -7.524 9.836 699 HA ILE 86 HA ILE 86 -15.386 -7.005 7.906 700 HB ILE 86 HB ILE 86 -17.308 -5.017 9.130 701 HG12 ILE 86 2HG1 ILE 86 -17.927 -6.136 6.503 702 HG13 ILE 86 1HG1 ILE 86 -17.913 -7.345 7.785 703 HG21 ILE 86 1HG2 ILE 86 -15.550 -3.920 7.866 704 HG22 ILE 86 2HG2 ILE 86 -17.078 -3.828 6.992 705 HG23 ILE 86 3HG2 ILE 86 -15.845 -4.984 6.493 706 HD11 ILE 86 3HD1 ILE 86 -19.516 -6.081 9.047 707 HD12 ILE 86 1HD1 ILE 86 -20.131 -6.380 7.420 708 HD13 ILE 86 2HD1 ILE 86 -19.492 -4.788 7.841 709 H GLN 87 H GLN 87 -15.752 -5.806 11.193 710 HA GLN 87 HA GLN 87 -13.830 -3.807 11.239 711 HB2 GLN 87 2HB GLN 87 -15.207 -4.073 13.143 712 HB3 GLN 87 1HB GLN 87 -14.768 -5.764 13.325 713 HG2 GLN 87 2HG GLN 87 -12.465 -5.037 13.912 714 HG3 GLN 87 1HG GLN 87 -13.033 -3.368 13.873 715 HE21 GLN 87 1HE2 GLN 87 -12.477 -3.134 16.058 716 HE22 GLN 87 2HE2 GLN 87 -13.472 -3.800 17.314 717 H LYS 88 H LYS 88 -13.465 -7.296 11.558 718 HA LYS 88 HA LYS 88 -10.610 -7.024 12.038 719 HB2 LYS 88 2HB LYS 88 -12.440 -9.423 12.013 720 HB3 LYS 88 1HB LYS 88 -10.701 -9.531 12.264 721 HG2 LYS 88 2HG LYS 88 -12.598 -7.948 13.989 722 HG3 LYS 88 1HG LYS 88 -11.973 -9.554 14.372 723 HD2 LYS 88 2HD LYS 88 -9.777 -8.759 14.616 724 HD3 LYS 88 1HD LYS 88 -10.142 -7.245 13.791 725 HE2 LYS 88 2HE LYS 88 -9.879 -6.957 16.219 726 HE3 LYS 88 1HE LYS 88 -11.490 -6.512 15.660 727 HZ1 LYS 88 3HZ LYS 88 -12.390 -8.500 16.530 728 HZ2 LYS 88 1HZ LYS 88 -11.407 -7.847 17.750 729 HZ3 LYS 88 2HZ LYS 88 -10.856 -9.166 16.828 730 H TYR 89 H TYR 89 -12.554 -7.088 9.391 731 HA TYR 89 HA TYR 89 -10.505 -8.264 7.683 732 HD1 TYR 89 HD2 TYR 89 -11.008 -10.056 7.113 733 HD2 TYR 89 HD1 TYR 89 -14.981 -8.586 6.704 734 HE1 TYR 89 HE2 TYR 89 -11.863 -12.359 7.216 735 HE2 TYR 89 HE1 TYR 89 -15.851 -10.884 6.808 736 HH TYR 89 HH TYR 89 -14.011 -13.502 7.837 737 HB2 TYR 89 2HB TYR 89 -13.216 -7.074 7.080 738 HB3 TYR 89 1HB TYR 89 -12.082 -7.555 5.821 739 H ARG 90 H ARG 90 -11.977 -5.164 8.487 740 HA ARG 90 HA ARG 90 -10.478 -3.472 6.846 741 HE ARG 90 HE ARG 90 -15.363 -2.378 8.209 742 HB2 ARG 90 2HB ARG 90 -11.373 -2.963 9.695 743 HB3 ARG 90 1HB ARG 90 -10.880 -1.733 8.542 744 HG2 ARG 90 2HG ARG 90 -12.787 -2.208 7.151 745 HG3 ARG 90 1HG ARG 90 -13.248 -3.557 8.193 746 HD2 ARG 90 2HD ARG 90 -13.507 -1.962 10.068 747 HD3 ARG 90 1HD ARG 90 -13.168 -0.641 8.950 748 HH11 ARG 90 1HH1 ARG 90 -14.345 0.556 9.804 749 HH12 ARG 90 2HH1 ARG 90 -15.901 1.313 9.686 750 HH21 ARG 90 1HH2 ARG 90 -17.436 -1.390 8.066 751 HH22 ARG 90 2HH2 ARG 90 -17.659 0.200 8.725 752 H GLN 91 H GLN 91 -9.809 -4.702 10.087 753 HA GLN 91 HA GLN 91 -6.951 -4.178 9.654 754 HB2 GLN 91 2HB GLN 91 -8.599 -4.567 12.140 755 HB3 GLN 91 1HB GLN 91 -6.865 -4.852 12.167 756 HG2 GLN 91 2HG GLN 91 -7.994 -2.277 11.148 757 HG3 GLN 91 1HG GLN 91 -7.750 -2.554 12.872 758 HE21 GLN 91 1HE2 GLN 91 -6.257 -0.853 12.901 759 HE22 GLN 91 2HE2 GLN 91 -4.645 -1.063 12.306 760 H LEU 92 H LEU 92 -7.523 -6.018 8.067 761 HA LEU 92 HA LEU 92 -8.034 -8.609 8.883 762 HG LEU 92 HG LEU 92 -5.067 -8.647 6.573 763 HB2 LEU 92 2HB LEU 92 -7.379 -9.316 6.760 764 HB3 LEU 92 1HB LEU 92 -7.922 -7.674 6.509 765 HD11 LEU 92 1HD1 LEU 92 -6.281 -9.160 4.525 766 HD12 LEU 92 2HD1 LEU 92 -5.035 -7.944 4.245 767 HD13 LEU 92 3HD1 LEU 92 -6.727 -7.462 4.358 768 HD21 LEU 92 3HD2 LEU 92 -4.469 -6.319 5.955 769 HD22 LEU 92 1HD2 LEU 92 -5.090 -6.485 7.602 770 HD23 LEU 92 2HD2 LEU 92 -6.127 -5.835 6.323 771 H HIS 93 H HIS 93 -6.899 -10.133 9.920 772 HA HIS 93 HA HIS 93 -4.038 -9.665 10.167 773 HD1 HIS 93 HD1 HIS 93 -5.164 -11.286 14.426 774 HD2 HIS 93 HD2 HIS 93 -7.964 -9.699 11.792 775 HE1 HIS 93 HE1 HIS 93 -7.414 -11.966 15.330 776 HE2 HIS 93 HE2 HIS 93 -9.069 -11.189 13.594 777 HB2 HIS 93 2HB HIS 93 -4.085 -10.107 12.585 778 HB3 HIS 93 1HB HIS 93 -5.018 -8.682 12.151 779 H HIS 94 H HIS 94 -3.375 -11.291 9.000 780 HA HIS 94 HA HIS 94 -3.380 -13.905 10.168 781 HD1 HIS 94 HD1 HIS 94 -6.428 -16.134 8.460 782 HD2 HIS 94 HD2 HIS 94 -2.284 -16.052 8.103 783 HE1 HIS 94 HE1 HIS 94 -5.708 -18.538 8.372 784 HE2 HIS 94 HE2 HIS 94 -3.190 -18.462 8.369 785 HB2 HIS 94 2HB HIS 94 -5.504 -13.833 8.740 786 HB3 HIS 94 1HB HIS 94 -4.442 -13.695 7.341 787 H HIS 95 H HIS 95 -2.870 -12.271 7.059 788 HA HIS 95 HA HIS 95 0.009 -12.636 7.425 789 HD1 HIS 95 HD1 HIS 95 1.734 -14.687 5.803 790 HD2 HIS 95 HD2 HIS 95 0.544 -11.531 3.364 791 HE1 HIS 95 HE1 HIS 95 3.750 -14.097 4.416 792 HE2 HIS 95 HE2 HIS 95 3.072 -12.054 3.112 793 HB2 HIS 95 2HB HIS 95 -0.814 -14.296 5.748 794 HB3 HIS 95 1HB HIS 95 -1.417 -12.963 4.771 Start of MODEL 20 1 HA MET 1 HA MET 1 13.557 18.602 5.265 2 H1 MET 1 1H MET 1 12.667 19.731 7.229 3 H2 MET 1 2H MET 1 14.357 19.642 7.228 4 H3 MET 1 3H MET 1 13.455 18.605 8.221 5 HB2 MET 1 2HB MET 1 14.541 16.688 7.381 6 HB3 MET 1 1HB MET 1 14.334 16.214 5.701 7 HG2 MET 1 2HG MET 1 16.625 16.752 6.067 8 HG3 MET 1 1HG MET 1 15.913 18.001 5.050 9 HE1 MET 1 3HE MET 1 18.568 19.989 7.120 10 HE2 MET 1 1HE MET 1 17.974 19.594 5.508 11 HE3 MET 1 2HE MET 1 18.710 18.341 6.508 12 H TYR 2 H TYR 2 12.225 16.934 8.135 13 HA TYR 2 HA TYR 2 10.215 15.643 6.541 14 HD1 TYR 2 HD2 TYR 2 10.193 13.118 7.047 15 HD2 TYR 2 HD1 TYR 2 12.598 14.924 10.056 16 HE1 TYR 2 HE2 TYR 2 11.791 11.256 6.880 17 HE2 TYR 2 HE1 TYR 2 14.207 13.071 9.891 18 HH TYR 2 HH TYR 2 14.316 10.954 7.358 19 HB2 TYR 2 2HB TYR 2 10.521 15.866 9.545 20 HB3 TYR 2 1HB TYR 2 9.303 14.883 8.735 21 H LEU 3 H LEU 3 8.471 16.549 5.819 22 HA LEU 3 HA LEU 3 6.891 18.425 7.291 23 HG LEU 3 HG LEU 3 6.760 20.912 7.003 24 HB2 LEU 3 2HB LEU 3 8.904 19.734 6.367 25 HB3 LEU 3 1HB LEU 3 8.209 19.463 4.783 26 HD11 LEU 3 1HD1 LEU 3 8.784 22.125 6.440 27 HD12 LEU 3 2HD1 LEU 3 7.368 22.966 5.807 28 HD13 LEU 3 3HD1 LEU 3 8.392 22.020 4.725 29 HD21 LEU 3 3HD2 LEU 3 5.369 21.756 5.180 30 HD22 LEU 3 1HD2 LEU 3 5.308 19.995 5.262 31 HD23 LEU 3 2HD2 LEU 3 6.286 20.786 4.026 32 H LYS 4 H LYS 4 7.714 17.669 3.921 33 HA LYS 4 HA LYS 4 4.902 17.251 3.274 34 HB2 LYS 4 2HB LYS 4 7.383 17.176 1.539 35 HB3 LYS 4 1HB LYS 4 5.732 17.035 0.950 36 HG2 LYS 4 2HG LYS 4 5.233 19.275 1.643 37 HG3 LYS 4 1HG LYS 4 6.813 19.431 2.418 38 HD2 LYS 4 2HD LYS 4 7.906 19.195 0.245 39 HD3 LYS 4 1HD LYS 4 6.332 19.012 -0.533 40 HE2 LYS 4 2HE LYS 4 5.706 21.255 0.128 41 HE3 LYS 4 1HE LYS 4 7.212 21.435 1.027 42 HZ1 LYS 4 3HZ LYS 4 7.057 20.993 -1.903 43 HZ2 LYS 4 1HZ LYS 4 8.451 21.327 -0.994 44 HZ3 LYS 4 2HZ LYS 4 7.247 22.515 -1.168 45 H ARG 5 H ARG 5 6.508 15.488 5.016 46 HA ARG 5 HA ARG 5 5.668 12.956 4.027 47 HE ARG 5 HE ARG 5 8.248 12.065 1.156 48 HB2 ARG 5 2HB ARG 5 7.841 13.416 2.770 49 HB3 ARG 5 1HB ARG 5 8.652 13.339 4.326 50 HG2 ARG 5 2HG ARG 5 8.006 11.044 4.610 51 HG3 ARG 5 1HG ARG 5 7.027 11.100 3.142 52 HD2 ARG 5 2HD ARG 5 10.025 11.417 3.322 53 HD3 ARG 5 1HD ARG 5 9.158 10.018 2.690 54 HH11 ARG 5 1HH1 ARG 5 11.461 10.904 1.961 55 HH12 ARG 5 2HH1 ARG 5 12.153 11.422 0.449 56 HH21 ARG 5 1HH2 ARG 5 9.174 12.754 -0.820 57 HH22 ARG 5 2HH2 ARG 5 10.865 12.490 -1.116 58 H VAL 6 H VAL 6 4.835 12.229 5.867 59 HA VAL 6 HA VAL 6 5.534 13.264 8.396 60 HB VAL 6 HB VAL 6 3.278 12.482 7.947 61 HG11 VAL 6 1HG1 VAL 6 4.463 9.718 7.788 62 HG12 VAL 6 2HG1 VAL 6 3.784 10.639 6.446 63 HG13 VAL 6 3HG1 VAL 6 2.742 10.107 7.767 64 HG21 VAL 6 3HG2 VAL 6 4.635 10.873 10.106 65 HG22 VAL 6 1HG2 VAL 6 2.896 11.139 9.976 66 HG23 VAL 6 2HG2 VAL 6 3.978 12.502 10.266 67 H ASP 7 H ASP 7 6.853 12.566 9.977 68 HA ASP 7 HA ASP 7 8.680 10.398 9.392 69 HB2 ASP 7 2HB ASP 7 9.412 12.523 10.524 70 HB3 ASP 7 1HB ASP 7 8.475 12.036 11.933 71 H GLY 8 H GLY 8 7.126 8.716 9.316 72 HA2 GLY 8 2HA GLY 8 6.084 7.899 11.949 73 HA3 GLY 8 1HA GLY 8 5.427 7.380 10.401 74 HA PRO 9 HA PRO 9 8.175 3.985 11.830 75 HB2 PRO 9 2HB PRO 9 6.632 1.990 10.798 76 HB3 PRO 9 1HB PRO 9 6.388 2.669 12.413 77 HG2 PRO 9 2HG PRO 9 4.931 3.248 9.868 78 HG3 PRO 9 1HG PRO 9 4.289 3.057 11.510 79 HD2 PRO 9 2HD PRO 9 4.668 5.480 10.351 80 HD3 PRO 9 1HD PRO 9 4.816 5.221 12.101 81 H ARG 10 H ARG 10 9.736 3.059 10.625 82 HA ARG 10 HA ARG 10 9.735 3.567 7.765 83 HE ARG 10 HE ARG 10 12.971 6.779 8.842 84 HB2 ARG 10 2HB ARG 10 11.787 2.680 9.757 85 HB3 ARG 10 1HB ARG 10 12.055 2.347 8.053 86 HG2 ARG 10 2HG ARG 10 13.175 4.379 8.646 87 HG3 ARG 10 1HG ARG 10 11.830 4.757 7.575 88 HD2 ARG 10 2HD ARG 10 10.502 5.516 9.442 89 HD3 ARG 10 1HD ARG 10 11.750 5.010 10.582 90 HH11 ARG 10 1HH1 ARG 10 10.299 6.915 11.114 91 HH12 ARG 10 2HH1 ARG 10 10.555 8.591 11.503 92 HH21 ARG 10 1HH2 ARG 10 13.290 8.980 9.343 93 HH22 ARG 10 2HH2 ARG 10 12.212 9.774 10.461 94 H GLN 11 H GLN 11 9.075 1.045 9.963 95 HA GLN 11 HA GLN 11 8.454 -0.748 7.758 96 HB2 GLN 11 2HB GLN 11 9.594 -2.644 8.733 97 HB3 GLN 11 1HB GLN 11 10.759 -1.348 8.493 98 HG2 GLN 11 2HG GLN 11 10.696 -0.788 10.826 99 HG3 GLN 11 1HG GLN 11 9.404 -1.953 11.112 100 HE21 GLN 11 1HE2 GLN 11 10.542 -3.122 12.607 101 HE22 GLN 11 2HE2 GLN 11 11.910 -4.107 12.193 102 H VAL 12 H VAL 12 6.830 -2.224 8.233 103 HA VAL 12 HA VAL 12 5.795 -2.270 10.983 104 HB VAL 12 HB VAL 12 3.475 -2.451 10.073 105 HG11 VAL 12 1HG1 VAL 12 4.237 -0.374 11.038 106 HG12 VAL 12 2HG1 VAL 12 3.187 -0.047 9.661 107 HG13 VAL 12 3HG1 VAL 12 4.934 0.120 9.496 108 HG21 VAL 12 3HG2 VAL 12 4.765 -1.543 7.498 109 HG22 VAL 12 1HG2 VAL 12 3.028 -1.614 7.805 110 HG23 VAL 12 2HG2 VAL 12 3.983 -3.099 7.787 111 H THR 13 H THR 13 4.062 -4.169 11.061 112 HA THR 13 HA THR 13 5.422 -6.484 9.835 113 HB THR 13 HB THR 13 4.028 -6.470 12.521 114 HG1 THR 13 HG1 THR 13 6.317 -5.332 11.918 115 HG21 THR 13 3HG2 THR 13 5.963 -8.432 11.274 116 HG22 THR 13 1HG2 THR 13 4.220 -8.668 11.426 117 HG23 THR 13 2HG2 THR 13 5.228 -8.571 12.871 118 H LEU 14 H LEU 14 4.180 -8.114 9.009 119 HA LEU 14 HA LEU 14 1.332 -7.548 8.665 120 HG LEU 14 HG LEU 14 2.480 -8.514 5.244 121 HB2 LEU 14 2HB LEU 14 3.146 -9.605 7.391 122 HB3 LEU 14 1HB LEU 14 1.424 -9.517 7.099 123 HD11 LEU 14 1HD1 LEU 14 1.528 -6.315 7.056 124 HD12 LEU 14 2HD1 LEU 14 0.519 -7.328 6.021 125 HD13 LEU 14 3HD1 LEU 14 1.688 -6.221 5.303 126 HD21 LEU 14 3HD2 LEU 14 4.670 -8.145 6.281 127 HD22 LEU 14 1HD2 LEU 14 4.009 -6.752 7.138 128 HD23 LEU 14 2HD2 LEU 14 4.101 -6.743 5.376 129 HA PRO 15 HA PRO 15 0.066 -10.684 11.616 130 HB2 PRO 15 2HB PRO 15 -2.159 -11.209 9.743 131 HB3 PRO 15 1HB PRO 15 -2.214 -10.704 11.435 132 HG2 PRO 15 2HG PRO 15 -2.835 -9.017 9.445 133 HG3 PRO 15 1HG PRO 15 -2.015 -8.466 10.916 134 HD2 PRO 15 2HD PRO 15 -0.887 -8.971 8.193 135 HD3 PRO 15 1HD PRO 15 -0.489 -7.700 9.367 136 H ASP 16 H ASP 16 0.856 -11.083 8.378 137 HA ASP 16 HA ASP 16 0.557 -13.930 8.172 138 HB2 ASP 16 2HB ASP 16 0.446 -12.423 6.213 139 HB3 ASP 16 1HB ASP 16 2.122 -11.964 6.482 140 H GLY 17 H GLY 17 2.810 -11.802 9.587 141 HA2 GLY 17 2HA GLY 17 4.622 -12.548 10.931 142 HA3 GLY 17 1HA GLY 17 4.715 -14.005 9.950 143 H THR 18 H THR 18 4.301 -11.431 7.941 144 HA THR 18 HA THR 18 7.134 -11.437 7.221 145 HB THR 18 HB THR 18 4.756 -10.432 5.629 146 HG1 THR 18 HG1 THR 18 4.365 -12.499 5.313 147 HG21 THR 18 3HG2 THR 18 7.570 -11.143 4.785 148 HG22 THR 18 1HG2 THR 18 6.878 -9.523 4.842 149 HG23 THR 18 2HG2 THR 18 6.256 -10.703 3.694 150 H VAL 19 H VAL 19 7.947 -9.276 6.307 151 HA VAL 19 HA VAL 19 7.095 -7.114 8.120 152 HB VAL 19 HB VAL 19 9.872 -7.612 7.011 153 HG11 VAL 19 1HG1 VAL 19 10.565 -5.800 8.521 154 HG12 VAL 19 2HG1 VAL 19 8.877 -5.530 8.959 155 HG13 VAL 19 3HG1 VAL 19 9.416 -5.235 7.306 156 HG21 VAL 19 3HG2 VAL 19 9.284 -9.243 8.720 157 HG22 VAL 19 1HG2 VAL 19 8.801 -7.947 9.812 158 HG23 VAL 19 2HG2 VAL 19 10.488 -8.110 9.333 159 H LEU 20 H LEU 20 6.610 -5.182 7.262 160 HA LEU 20 HA LEU 20 7.073 -4.826 4.369 161 HG LEU 20 HG LEU 20 5.110 -2.226 4.408 162 HB2 LEU 20 2HB LEU 20 4.732 -5.197 4.767 163 HB3 LEU 20 1HB LEU 20 4.708 -4.017 6.057 164 HD11 LEU 20 1HD1 LEU 20 4.838 -4.429 2.372 165 HD12 LEU 20 2HD1 LEU 20 6.302 -3.508 2.717 166 HD13 LEU 20 3HD1 LEU 20 4.894 -2.701 2.027 167 HD21 LEU 20 3HD2 LEU 20 2.843 -2.775 5.066 168 HD22 LEU 20 1HD2 LEU 20 2.761 -4.018 3.816 169 HD23 LEU 20 2HD2 LEU 20 2.895 -2.318 3.364 170 H SER 21 H SER 21 8.738 -3.454 4.258 171 HA SER 21 HA SER 21 8.795 -1.153 6.062 172 HG SER 21 HG SER 21 11.943 -2.831 4.118 173 HB2 SER 21 2HB SER 21 11.140 -0.894 5.264 174 HB3 SER 21 1HB SER 21 10.844 -2.463 6.004 175 H ARG 22 H ARG 22 9.676 0.906 4.963 176 HA ARG 22 HA ARG 22 7.791 1.605 2.942 177 HE ARG 22 HE ARG 22 6.671 5.167 6.638 178 HB2 ARG 22 2HB ARG 22 10.054 3.085 4.257 179 HB3 ARG 22 1HB ARG 22 9.104 3.806 2.961 180 HG2 ARG 22 2HG ARG 22 7.066 3.442 4.294 181 HG3 ARG 22 1HG ARG 22 8.065 2.817 5.607 182 HD2 ARG 22 2HD ARG 22 8.976 4.889 6.073 183 HD3 ARG 22 1HD ARG 22 8.624 5.521 4.462 184 HH11 ARG 22 1HH1 ARG 22 7.650 6.596 3.603 185 HH12 ARG 22 2HH1 ARG 22 6.199 7.544 3.419 186 HH21 ARG 22 1HH2 ARG 22 4.762 6.438 6.421 187 HH22 ARG 22 2HH2 ARG 22 4.570 7.468 5.028 188 H ALA 23 H ALA 23 11.061 0.510 2.901 189 HA ALA 23 HA ALA 23 11.448 1.234 0.118 190 HB1 ALA 23 3HB ALA 23 13.134 -0.517 1.899 191 HB2 ALA 23 1HB ALA 23 13.347 1.217 1.678 192 HB3 ALA 23 2HB ALA 23 13.589 0.120 0.318 193 H ASP 24 H ASP 24 9.962 -1.271 1.852 194 HA ASP 24 HA ASP 24 10.394 -3.339 -0.124 195 HB2 ASP 24 2HB ASP 24 10.118 -3.878 2.282 196 HB3 ASP 24 1HB ASP 24 8.466 -3.276 2.205 197 H LEU 25 H LEU 25 8.148 -0.816 0.489 198 HA LEU 25 HA LEU 25 5.819 -1.586 -0.741 199 HG LEU 25 HG LEU 25 6.144 0.278 1.421 200 HB2 LEU 25 2HB LEU 25 7.255 1.054 -0.696 201 HB3 LEU 25 1HB LEU 25 5.714 0.870 -1.511 202 HD11 LEU 25 1HD1 LEU 25 4.976 2.394 1.821 203 HD12 LEU 25 2HD1 LEU 25 4.989 2.726 0.089 204 HD13 LEU 25 3HD1 LEU 25 6.507 2.645 0.984 205 HD21 LEU 25 3HD2 LEU 25 3.641 0.589 -0.237 206 HD22 LEU 25 1HD2 LEU 25 3.699 0.321 1.506 207 HD23 LEU 25 2HD2 LEU 25 4.278 -0.927 0.404 208 HA PRO 26 HA PRO 26 6.621 -2.498 -4.978 209 HB2 PRO 26 2HB PRO 26 4.319 -1.414 -6.080 210 HB3 PRO 26 1HB PRO 26 4.431 -3.020 -5.356 211 HG2 PRO 26 2HG PRO 26 3.424 -0.471 -4.174 212 HG3 PRO 26 1HG PRO 26 2.798 -2.121 -3.998 213 HD2 PRO 26 2HD PRO 26 4.239 -0.959 -2.061 214 HD3 PRO 26 1HD PRO 26 4.397 -2.692 -2.419 215 HA PRO 27 HA PRO 27 8.336 1.081 -6.909 216 HB2 PRO 27 2HB PRO 27 8.101 0.424 -9.539 217 HB3 PRO 27 1HB PRO 27 9.290 -0.309 -8.458 218 HG2 PRO 27 2HG PRO 27 6.623 -1.366 -9.330 219 HG3 PRO 27 1HG PRO 27 8.178 -2.213 -9.216 220 HD2 PRO 27 2HD PRO 27 6.286 -2.445 -7.317 221 HD3 PRO 27 1HD PRO 27 8.018 -2.450 -6.923 222 H LEU 28 H LEU 28 7.846 2.930 -8.195 223 HA LEU 28 HA LEU 28 5.011 3.568 -8.226 224 HG LEU 28 HG LEU 28 7.711 4.679 -6.760 225 HB2 LEU 28 2HB LEU 28 7.332 5.289 -9.113 226 HB3 LEU 28 1HB LEU 28 5.713 5.825 -8.712 227 HD11 LEU 28 1HD1 LEU 28 8.351 6.890 -7.538 228 HD12 LEU 28 2HD1 LEU 28 7.791 6.958 -5.867 229 HD13 LEU 28 3HD1 LEU 28 6.739 7.503 -7.173 230 HD21 LEU 28 3HD2 LEU 28 4.972 5.856 -6.312 231 HD22 LEU 28 1HD2 LEU 28 6.101 5.369 -5.050 232 HD23 LEU 28 2HD2 LEU 28 5.416 4.159 -6.135 233 H ASP 29 H ASP 29 7.081 2.067 -10.260 234 HA ASP 29 HA ASP 29 6.336 3.262 -12.766 235 HB2 ASP 29 2HB ASP 29 7.888 0.785 -12.031 236 HB3 ASP 29 1HB ASP 29 7.548 1.228 -13.700 237 H THR 30 H THR 30 5.009 0.907 -10.705 238 HA THR 30 HA THR 30 3.827 -0.737 -12.705 239 HB THR 30 HB THR 30 3.199 -0.463 -9.763 240 HG1 THR 30 HG1 THR 30 5.122 -1.784 -11.233 241 HG21 THR 30 3HG2 THR 30 2.084 -2.645 -10.011 242 HG22 THR 30 1HG2 THR 30 2.338 -2.565 -11.755 243 HG23 THR 30 2HG2 THR 30 1.290 -1.389 -10.962 244 H ARG 31 H ARG 31 2.257 -0.127 -14.000 245 HA ARG 31 HA ARG 31 0.084 1.521 -12.886 246 HE ARG 31 HE ARG 31 -0.691 4.132 -14.181 247 HB2 ARG 31 2HB ARG 31 0.738 1.025 -15.802 248 HB3 ARG 31 1HB ARG 31 -0.540 2.062 -15.193 249 HG2 ARG 31 2HG ARG 31 2.423 2.488 -15.079 250 HG3 ARG 31 1HG ARG 31 1.191 3.507 -15.824 251 HD2 ARG 31 2HD ARG 31 1.639 3.053 -12.877 252 HD3 ARG 31 1HD ARG 31 1.962 4.529 -13.779 253 HH11 ARG 31 1HH1 ARG 31 1.305 4.181 -11.314 254 HH12 ARG 31 2HH1 ARG 31 0.072 4.860 -10.294 255 HH21 ARG 31 1HH2 ARG 31 -2.338 5.006 -12.850 256 HH22 ARG 31 2HH2 ARG 31 -2.014 5.326 -11.176 257 H ARG 32 H ARG 32 0.820 -1.323 -14.878 258 HA ARG 32 HA ARG 32 -1.879 -2.318 -14.606 259 HE ARG 32 HE ARG 32 -2.717 -6.591 -16.801 260 HB2 ARG 32 2HB ARG 32 -0.391 -2.865 -16.578 261 HB3 ARG 32 1HB ARG 32 0.555 -3.877 -15.491 262 HG2 ARG 32 2HG ARG 32 -1.395 -5.257 -15.045 263 HG3 ARG 32 1HG ARG 32 -2.370 -4.234 -16.100 264 HD2 ARG 32 2HD ARG 32 -0.952 -4.845 -17.996 265 HD3 ARG 32 1HD ARG 32 0.022 -5.866 -16.940 266 HH11 ARG 32 1HH1 ARG 32 0.100 -6.856 -18.861 267 HH12 ARG 32 2HH1 ARG 32 -0.435 -8.328 -19.618 268 HH21 ARG 32 1HH2 ARG 32 -3.418 -8.508 -17.759 269 HH22 ARG 32 2HH2 ARG 32 -2.444 -9.286 -18.972 270 H TRP 33 H TRP 33 -1.990 -2.122 -12.338 271 HA TRP 33 HA TRP 33 -0.237 -3.392 -10.539 272 HD1 TRP 33 HD1 TRP 33 -2.224 -0.029 -11.145 273 HE1 TRP 33 HE1 TRP 33 -0.857 1.810 -9.985 274 HE3 TRP 33 HE3 TRP 33 -0.337 -2.760 -7.272 275 HZ2 TRP 33 HZ2 TRP 33 0.805 2.070 -7.715 276 HZ3 TRP 33 HZ3 TRP 33 1.131 -1.646 -5.646 277 HH2 TRP 33 HH2 TRP 33 1.693 0.719 -5.865 278 HB2 TRP 33 2HB TRP 33 -3.072 -2.425 -10.266 279 HB3 TRP 33 1HB TRP 33 -2.193 -3.145 -8.923 280 H VAL 34 H VAL 34 -0.412 -5.219 -9.313 281 HA VAL 34 HA VAL 34 -2.452 -7.186 -10.101 282 HB VAL 34 HB VAL 34 -0.853 -8.989 -9.567 283 HG11 VAL 34 1HG1 VAL 34 -1.092 -8.273 -11.885 284 HG12 VAL 34 2HG1 VAL 34 0.569 -8.759 -11.554 285 HG13 VAL 34 3HG1 VAL 34 0.154 -7.048 -11.650 286 HG21 VAL 34 3HG2 VAL 34 1.171 -6.766 -9.316 287 HG22 VAL 34 1HG2 VAL 34 1.528 -8.493 -9.302 288 HG23 VAL 34 2HG2 VAL 34 0.574 -7.779 -8.001 289 H ALA 35 H ALA 35 -2.883 -8.785 -8.293 290 HA ALA 35 HA ALA 35 -3.892 -7.333 -6.145 291 HB1 ALA 35 3HB ALA 35 -4.523 -9.443 -5.174 292 HB2 ALA 35 1HB ALA 35 -3.362 -10.296 -6.193 293 HB3 ALA 35 2HB ALA 35 -4.761 -9.504 -6.921 294 H SER 36 H SER 36 -0.932 -9.272 -6.305 295 HA SER 36 HA SER 36 -0.307 -9.252 -3.582 296 HG SER 36 HG SER 36 -0.192 -11.127 -5.070 297 HB2 SER 36 2HB SER 36 1.683 -9.228 -5.855 298 HB3 SER 36 1HB SER 36 1.900 -9.925 -4.247 299 H ARG 37 H ARG 37 0.495 -6.918 -6.132 300 HA ARG 37 HA ARG 37 2.182 -5.344 -4.435 301 HE ARG 37 HE ARG 37 4.689 -6.455 -8.728 302 HB2 ARG 37 2HB ARG 37 0.907 -4.600 -7.074 303 HB3 ARG 37 1HB ARG 37 2.196 -3.716 -6.269 304 HG2 ARG 37 2HG ARG 37 3.640 -5.713 -6.478 305 HG3 ARG 37 1HG ARG 37 2.353 -6.503 -7.389 306 HD2 ARG 37 2HD ARG 37 2.449 -4.581 -8.999 307 HD3 ARG 37 1HD ARG 37 3.896 -4.034 -8.153 308 HH11 ARG 37 1HH1 ARG 37 2.856 -4.266 -10.741 309 HH12 ARG 37 2HH1 ARG 37 3.372 -4.976 -12.238 310 HH21 ARG 37 1HH2 ARG 37 5.378 -7.417 -10.704 311 HH22 ARG 37 2HH2 ARG 37 4.812 -6.765 -12.215 312 H LYS 38 H LYS 38 -1.176 -5.207 -5.467 313 HA LYS 38 HA LYS 38 -1.854 -2.724 -4.339 314 HB2 LYS 38 2HB LYS 38 -3.553 -5.196 -4.720 315 HB3 LYS 38 1HB LYS 38 -4.183 -3.625 -4.248 316 HG2 LYS 38 2HG LYS 38 -3.275 -2.703 -6.381 317 HG3 LYS 38 1HG LYS 38 -2.875 -4.358 -6.854 318 HD2 LYS 38 2HD LYS 38 -5.241 -4.981 -6.597 319 HD3 LYS 38 1HD LYS 38 -5.623 -3.315 -6.169 320 HE2 LYS 38 2HE LYS 38 -4.845 -2.571 -8.365 321 HE3 LYS 38 1HE LYS 38 -4.456 -4.235 -8.792 322 HZ1 LYS 38 3HZ LYS 38 -6.541 -3.777 -9.745 323 HZ2 LYS 38 1HZ LYS 38 -7.140 -3.061 -8.324 324 HZ3 LYS 38 2HZ LYS 38 -6.872 -4.734 -8.384 325 H ALA 39 H ALA 39 -1.904 -5.993 -3.014 326 HA ALA 39 HA ALA 39 -3.007 -5.462 -0.523 327 HB1 ALA 39 3HB ALA 39 -2.641 -7.722 -1.409 328 HB2 ALA 39 1HB ALA 39 -1.976 -7.536 0.213 329 HB3 ALA 39 2HB ALA 39 -0.902 -7.521 -1.185 330 H ALA 40 H ALA 40 0.377 -5.327 -1.566 331 HA ALA 40 HA ALA 40 1.555 -4.829 0.912 332 HB1 ALA 40 3HB ALA 40 3.438 -3.924 -0.349 333 HB2 ALA 40 1HB ALA 40 2.431 -3.827 -1.793 334 HB3 ALA 40 2HB ALA 40 2.825 -5.398 -1.098 335 H VAL 41 H VAL 41 0.304 -2.539 -1.497 336 HA VAL 41 HA VAL 41 1.078 -0.187 -0.156 337 HB VAL 41 HB VAL 41 -1.216 -0.569 -2.079 338 HG11 VAL 41 1HG1 VAL 41 -1.413 1.519 -0.857 339 HG12 VAL 41 2HG1 VAL 41 -0.949 1.831 -2.530 340 HG13 VAL 41 3HG1 VAL 41 0.258 1.923 -1.249 341 HG21 VAL 41 3HG2 VAL 41 1.650 0.209 -2.576 342 HG22 VAL 41 1HG2 VAL 41 0.365 0.210 -3.785 343 HG23 VAL 41 2HG2 VAL 41 0.879 -1.307 -3.045 344 H VAL 42 H VAL 42 -2.044 -1.896 -0.224 345 HA VAL 42 HA VAL 42 -3.339 0.007 1.434 346 HB VAL 42 HB VAL 42 -4.555 -1.485 -0.122 347 HG11 VAL 42 1HG1 VAL 42 -5.081 -3.781 0.554 348 HG12 VAL 42 2HG1 VAL 42 -3.947 -3.634 1.897 349 HG13 VAL 42 3HG1 VAL 42 -3.362 -3.554 0.235 350 HG21 VAL 42 3HG2 VAL 42 -6.456 -1.936 1.347 351 HG22 VAL 42 1HG2 VAL 42 -5.752 -0.347 1.654 352 HG23 VAL 42 2HG2 VAL 42 -5.424 -1.685 2.755 353 H LYS 43 H LYS 43 -1.660 -3.038 2.133 354 HA LYS 43 HA LYS 43 -2.448 -3.168 4.860 355 HB2 LYS 43 2HB LYS 43 -0.102 -4.387 3.398 356 HB3 LYS 43 1HB LYS 43 -0.454 -4.701 5.093 357 HG2 LYS 43 2HG LYS 43 -2.559 -5.712 4.523 358 HG3 LYS 43 1HG LYS 43 -2.351 -5.275 2.826 359 HD2 LYS 43 2HD LYS 43 -0.334 -6.700 2.741 360 HD3 LYS 43 1HD LYS 43 -0.629 -7.179 4.415 361 HE2 LYS 43 2HE LYS 43 -2.541 -7.628 2.122 362 HE3 LYS 43 1HE LYS 43 -1.434 -8.839 2.768 363 HZ1 LYS 43 3HZ LYS 43 -3.734 -9.003 3.633 364 HZ2 LYS 43 1HZ LYS 43 -3.533 -7.494 4.369 365 HZ3 LYS 43 2HZ LYS 43 -2.566 -8.798 4.851 366 H ALA 44 H ALA 44 0.116 -1.531 3.148 367 HA ALA 44 HA ALA 44 1.708 -0.811 5.350 368 HB1 ALA 44 3HB ALA 44 2.462 -0.554 3.040 369 HB2 ALA 44 1HB ALA 44 2.575 0.969 3.919 370 HB3 ALA 44 2HB ALA 44 1.255 0.705 2.780 371 H VAL 45 H VAL 45 -1.075 0.751 3.829 372 HA VAL 45 HA VAL 45 -1.084 3.020 5.545 373 HB VAL 45 HB VAL 45 -3.349 1.864 3.909 374 HG11 VAL 45 1HG1 VAL 45 -4.298 4.129 4.031 375 HG12 VAL 45 2HG1 VAL 45 -3.009 4.594 5.142 376 HG13 VAL 45 3HG1 VAL 45 -4.180 3.364 5.617 377 HG21 VAL 45 3HG2 VAL 45 -1.424 2.413 2.530 378 HG22 VAL 45 1HG2 VAL 45 -1.349 4.021 3.248 379 HG23 VAL 45 2HG2 VAL 45 -2.732 3.565 2.254 380 H ILE 46 H ILE 46 -2.803 -0.071 5.565 381 HA ILE 46 HA ILE 46 -4.537 0.536 7.702 382 HB ILE 46 HB ILE 46 -3.593 -2.112 6.611 383 HG12 ILE 46 2HG1 ILE 46 -6.193 -0.592 6.311 384 HG13 ILE 46 1HG1 ILE 46 -4.924 -0.693 5.095 385 HG21 ILE 46 1HG2 ILE 46 -5.452 -3.145 7.833 386 HG22 ILE 46 2HG2 ILE 46 -5.786 -1.601 8.615 387 HG23 ILE 46 3HG2 ILE 46 -4.264 -2.436 8.927 388 HD11 ILE 46 3HD1 ILE 46 -6.540 -3.006 6.141 389 HD12 ILE 46 1HD1 ILE 46 -5.299 -3.082 4.890 390 HD13 ILE 46 2HD1 ILE 46 -6.786 -2.178 4.601 391 H HIS 47 H HIS 47 -1.249 -0.741 7.632 392 HA HIS 47 HA HIS 47 -1.304 -1.259 10.491 393 HD1 HIS 47 HD1 HIS 47 -1.368 -3.434 10.807 394 HD2 HIS 47 HD2 HIS 47 0.983 -3.995 7.423 395 HE1 HIS 47 HE1 HIS 47 -1.767 -5.805 10.089 396 HE2 HIS 47 HE2 HIS 47 -0.164 -6.175 8.187 397 HB2 HIS 47 2HB HIS 47 0.892 -1.501 8.441 398 HB3 HIS 47 1HB HIS 47 1.146 -1.791 10.157 399 H GLY 48 H GLY 48 -0.924 1.439 8.597 400 HA2 GLY 48 2HA GLY 48 -0.550 3.604 9.327 401 HA3 GLY 48 1HA GLY 48 -0.031 2.965 10.879 402 H LEU 49 H LEU 49 1.376 1.752 7.959 403 HA LEU 49 HA LEU 49 3.997 2.696 8.673 404 HG LEU 49 HG LEU 49 5.140 2.486 5.783 405 HB2 LEU 49 2HB LEU 49 3.699 0.534 7.577 406 HB3 LEU 49 1HB LEU 49 2.952 1.311 6.195 407 HD11 LEU 49 1HD1 LEU 49 7.139 1.511 6.811 408 HD12 LEU 49 2HD1 LEU 49 6.113 0.520 7.848 409 HD13 LEU 49 3HD1 LEU 49 6.091 2.276 8.007 410 HD21 LEU 49 3HD2 LEU 49 6.203 0.522 4.783 411 HD22 LEU 49 1HD2 LEU 49 4.462 0.536 4.492 412 HD23 LEU 49 2HD2 LEU 49 5.144 -0.525 5.724 413 H ILE 50 H ILE 50 1.853 3.175 5.909 414 HA ILE 50 HA ILE 50 2.921 5.901 5.607 415 HB ILE 50 HB ILE 50 2.523 5.803 3.225 416 HG12 ILE 50 2HG1 ILE 50 1.674 2.919 3.549 417 HG13 ILE 50 1HG1 ILE 50 0.535 4.255 3.410 418 HG21 ILE 50 1HG2 ILE 50 4.053 3.375 4.154 419 HG22 ILE 50 2HG2 ILE 50 4.692 5.005 3.939 420 HG23 ILE 50 3HG2 ILE 50 4.147 4.080 2.540 421 HD11 ILE 50 3HD1 ILE 50 0.855 3.122 1.282 422 HD12 ILE 50 1HD1 ILE 50 2.582 3.474 1.348 423 HD13 ILE 50 2HD1 ILE 50 1.417 4.794 1.208 424 H THR 51 H THR 51 1.252 7.399 4.626 425 HA THR 51 HA THR 51 -1.349 6.717 5.759 426 HB THR 51 HB THR 51 -0.466 8.908 6.394 427 HG1 THR 51 HG1 THR 51 -2.354 10.030 5.996 428 HG21 THR 51 3HG2 THR 51 -0.688 9.671 3.483 429 HG22 THR 51 1HG2 THR 51 0.831 9.363 4.325 430 HG23 THR 51 2HG2 THR 51 -0.195 10.710 4.816 431 H GLU 52 H GLU 52 -3.278 6.951 4.553 432 HA GLU 52 HA GLU 52 -3.353 5.658 2.121 433 HB2 GLU 52 2HB GLU 52 -5.296 5.948 3.586 434 HB3 GLU 52 1HB GLU 52 -5.324 7.667 3.225 435 HG2 GLU 52 2HG GLU 52 -5.698 7.044 0.818 436 HG3 GLU 52 1HG GLU 52 -5.932 5.384 1.371 437 H ARG 53 H ARG 53 -3.250 9.105 2.790 438 HA ARG 53 HA ARG 53 -3.745 9.948 0.120 439 HE ARG 53 HE ARG 53 -5.634 12.483 0.665 440 HB2 ARG 53 2HB ARG 53 -2.323 11.595 2.199 441 HB3 ARG 53 1HB ARG 53 -3.385 12.141 0.912 442 HG2 ARG 53 2HG ARG 53 -4.148 10.726 3.451 443 HG3 ARG 53 1HG ARG 53 -4.566 12.365 2.955 444 HD2 ARG 53 2HD ARG 53 -5.461 9.889 1.494 445 HD3 ARG 53 1HD ARG 53 -6.412 10.684 2.747 446 HH11 ARG 53 1HH1 ARG 53 -7.910 9.957 1.496 447 HH12 ARG 53 2HH1 ARG 53 -9.181 10.593 0.491 448 HH21 ARG 53 1HH2 ARG 53 -7.295 13.331 -0.644 449 HH22 ARG 53 2HH2 ARG 53 -8.828 12.518 -0.727 450 H GLU 54 H GLU 54 -0.943 8.990 1.876 451 HA GLU 54 HA GLU 54 1.012 10.181 0.169 452 HB2 GLU 54 2HB GLU 54 1.561 9.603 2.463 453 HB3 GLU 54 1HB GLU 54 1.170 7.915 2.166 454 HG2 GLU 54 2HG GLU 54 3.046 7.713 0.659 455 HG3 GLU 54 1HG GLU 54 3.419 9.425 0.856 456 H ALA 55 H ALA 55 -0.494 7.004 0.474 457 HA ALA 55 HA ALA 55 0.896 5.753 -1.640 458 HB1 ALA 55 3HB ALA 55 -1.896 5.188 -0.636 459 HB2 ALA 55 1HB ALA 55 -0.408 4.517 0.036 460 HB3 ALA 55 2HB ALA 55 -0.897 4.105 -1.608 461 H LEU 56 H LEU 56 -2.178 7.504 -1.523 462 HA LEU 56 HA LEU 56 -2.917 7.282 -4.217 463 HG LEU 56 HG LEU 56 -4.246 7.493 -1.381 464 HB2 LEU 56 2HB LEU 56 -3.381 9.620 -2.354 465 HB3 LEU 56 1HB LEU 56 -4.279 9.271 -3.819 466 HD11 LEU 56 1HD1 LEU 56 -5.316 9.596 -0.850 467 HD12 LEU 56 2HD1 LEU 56 -6.530 8.325 -1.007 468 HD13 LEU 56 3HD1 LEU 56 -6.300 9.491 -2.310 469 HD21 LEU 56 3HD2 LEU 56 -4.691 6.319 -3.481 470 HD22 LEU 56 1HD2 LEU 56 -5.986 7.459 -3.843 471 HD23 LEU 56 2HD2 LEU 56 -6.123 6.379 -2.454 472 H ASP 57 H ASP 57 -0.759 9.533 -2.577 473 HA ASP 57 HA ASP 57 -0.452 11.292 -4.795 474 HB2 ASP 57 2HB ASP 57 -0.075 11.996 -2.457 475 HB3 ASP 57 1HB ASP 57 1.323 10.932 -2.371 476 H ARG 58 H ARG 58 1.762 8.891 -3.344 477 HA ARG 58 HA ARG 58 3.768 9.405 -5.283 478 HE ARG 58 HE ARG 58 4.227 6.925 -0.432 479 HB2 ARG 58 2HB ARG 58 5.004 7.570 -4.279 480 HB3 ARG 58 1HB ARG 58 4.326 8.613 -3.040 481 HG2 ARG 58 2HG ARG 58 2.633 7.014 -2.516 482 HG3 ARG 58 1HG ARG 58 3.081 6.016 -3.902 483 HD2 ARG 58 2HD ARG 58 4.000 5.020 -1.921 484 HD3 ARG 58 1HD ARG 58 5.318 5.689 -2.879 485 HH11 ARG 58 1HH1 ARG 58 6.848 6.395 -2.691 486 HH12 ARG 58 2HH1 ARG 58 8.037 7.176 -1.698 487 HH21 ARG 58 1HH2 ARG 58 5.811 7.928 0.911 488 HH22 ARG 58 2HH2 ARG 58 7.465 7.994 0.360 489 H TYR 59 H TYR 59 1.244 6.945 -5.052 490 HA TYR 59 HA TYR 59 2.343 5.584 -7.393 491 HD1 TYR 59 HD2 TYR 59 2.915 3.120 -7.112 492 HD2 TYR 59 HD1 TYR 59 0.954 4.310 -3.532 493 HE1 TYR 59 HE2 TYR 59 4.526 1.806 -5.804 494 HE2 TYR 59 HE1 TYR 59 2.556 2.989 -2.209 495 HH TYR 59 HH TYR 59 5.351 1.466 -3.701 496 HB2 TYR 59 2HB TYR 59 0.029 4.898 -5.573 497 HB3 TYR 59 1HB TYR 59 0.452 3.967 -7.005 498 H SER 60 H SER 60 0.459 8.183 -6.885 499 HA SER 60 HA SER 60 -1.113 9.335 -8.029 500 HG SER 60 HG SER 60 -1.858 9.838 -10.076 501 HB2 SER 60 2HB SER 60 0.697 8.978 -9.805 502 HB3 SER 60 1HB SER 60 -0.336 7.705 -10.454 503 H LEU 61 H LEU 61 -2.540 7.973 -6.637 504 HA LEU 61 HA LEU 61 -4.371 6.375 -8.315 505 HG LEU 61 HG LEU 61 -1.909 5.036 -6.944 506 HB2 LEU 61 2HB LEU 61 -3.668 5.898 -5.414 507 HB3 LEU 61 1HB LEU 61 -4.862 5.002 -6.332 508 HD11 LEU 61 1HD1 LEU 61 -3.581 2.916 -5.602 509 HD12 LEU 61 2HD1 LEU 61 -2.407 3.959 -4.798 510 HD13 LEU 61 3HD1 LEU 61 -1.869 2.795 -6.010 511 HD21 LEU 61 3HD2 LEU 61 -3.301 4.621 -8.903 512 HD22 LEU 61 1HD2 LEU 61 -4.162 3.349 -8.033 513 HD23 LEU 61 2HD2 LEU 61 -2.450 3.155 -8.414 514 H SER 62 H SER 62 -6.559 6.629 -7.897 515 HA SER 62 HA SER 62 -7.264 8.994 -6.331 516 HG SER 62 HG SER 62 -8.313 9.894 -8.960 517 HB2 SER 62 2HB SER 62 -8.939 7.336 -8.240 518 HB3 SER 62 1HB SER 62 -9.421 8.866 -7.505 519 H GLU 63 H GLU 63 -9.302 8.844 -5.004 520 HA GLU 63 HA GLU 63 -9.032 6.813 -3.077 521 HB2 GLU 63 2HB GLU 63 -11.264 8.771 -3.597 522 HB3 GLU 63 1HB GLU 63 -11.239 7.680 -2.216 523 HG2 GLU 63 2HG GLU 63 -9.234 8.680 -1.384 524 HG3 GLU 63 1HG GLU 63 -9.081 9.677 -2.832 525 H GLU 64 H GLU 64 -11.218 7.170 -5.812 526 HA GLU 64 HA GLU 64 -12.939 5.037 -5.282 527 HB2 GLU 64 2HB GLU 64 -13.369 5.024 -7.707 528 HB3 GLU 64 1HB GLU 64 -13.372 6.654 -7.042 529 HG2 GLU 64 2HG GLU 64 -10.971 6.829 -7.814 530 HG3 GLU 64 1HG GLU 64 -11.249 5.330 -8.700 531 H GLU 65 H GLU 65 -9.642 5.039 -6.240 532 HA GLU 65 HA GLU 65 -9.638 2.291 -7.161 533 HB2 GLU 65 2HB GLU 65 -8.146 3.991 -8.166 534 HB3 GLU 65 1HB GLU 65 -7.363 4.217 -6.611 535 HG2 GLU 65 2HG GLU 65 -5.964 2.861 -7.966 536 HG3 GLU 65 1HG GLU 65 -6.640 1.845 -6.696 537 H PHE 66 H PHE 66 -8.011 4.101 -4.558 538 HA PHE 66 HA PHE 66 -7.001 1.863 -3.217 539 HD1 PHE 66 HD2 PHE 66 -4.452 2.823 -2.014 540 HD2 PHE 66 HD1 PHE 66 -7.950 3.696 0.246 541 HE1 PHE 66 HE2 PHE 66 -3.323 2.042 0.029 542 HE2 PHE 66 HE1 PHE 66 -6.827 2.920 2.290 543 HZ PHE 66 HZ PHE 66 -4.513 2.093 2.181 544 HB2 PHE 66 2HB PHE 66 -6.219 4.214 -2.921 545 HB3 PHE 66 1HB PHE 66 -7.678 4.545 -1.995 546 H ALA 67 H ALA 67 -10.085 3.538 -2.888 547 HA ALA 67 HA ALA 67 -10.931 2.328 -0.496 548 HB1 ALA 67 3HB ALA 67 -13.185 2.974 -1.148 549 HB2 ALA 67 1HB ALA 67 -12.635 3.272 -2.796 550 HB3 ALA 67 2HB ALA 67 -12.044 4.282 -1.475 551 H LEU 68 H LEU 68 -10.961 1.224 -3.825 552 HA LEU 68 HA LEU 68 -12.556 -1.097 -3.298 553 HG LEU 68 HG LEU 68 -12.519 1.059 -5.643 554 HB2 LEU 68 2HB LEU 68 -10.677 -0.508 -5.584 555 HB3 LEU 68 1HB LEU 68 -11.792 -1.859 -5.515 556 HD11 LEU 68 1HD1 LEU 68 -12.895 -1.189 -7.613 557 HD12 LEU 68 2HD1 LEU 68 -11.730 0.127 -7.750 558 HD13 LEU 68 3HD1 LEU 68 -13.460 0.470 -7.812 559 HD21 LEU 68 3HD2 LEU 68 -14.095 -0.139 -4.227 560 HD22 LEU 68 1HD2 LEU 68 -14.308 -1.362 -5.478 561 HD23 LEU 68 2HD2 LEU 68 -14.840 0.294 -5.767 562 H TRP 69 H TRP 69 -9.106 -0.380 -3.541 563 HA TRP 69 HA TRP 69 -8.053 -2.939 -3.287 564 HD1 TRP 69 HD1 TRP 69 -8.162 -1.075 -5.245 565 HE1 TRP 69 HE1 TRP 69 -6.610 -0.431 -7.187 566 HE3 TRP 69 HE3 TRP 69 -3.761 -0.725 -2.667 567 HZ2 TRP 69 HZ2 TRP 69 -3.872 0.141 -7.574 568 HZ3 TRP 69 HZ3 TRP 69 -1.721 -0.122 -3.899 569 HH2 TRP 69 HH2 TRP 69 -1.778 0.298 -6.299 570 HB2 TRP 69 2HB TRP 69 -7.013 -0.333 -2.157 571 HB3 TRP 69 1HB TRP 69 -6.090 -1.831 -2.168 572 H ARG 70 H ARG 70 -8.851 -0.665 -0.660 573 HA ARG 70 HA ARG 70 -8.186 -2.494 1.390 574 HE ARG 70 HE ARG 70 -10.573 0.746 4.013 575 HB2 ARG 70 2HB ARG 70 -9.309 -0.941 2.920 576 HB3 ARG 70 1HB ARG 70 -8.226 -0.105 1.821 577 HG2 ARG 70 2HG ARG 70 -10.272 0.404 0.417 578 HG3 ARG 70 1HG ARG 70 -11.223 -0.166 1.789 579 HD2 ARG 70 2HD ARG 70 -9.187 2.053 1.892 580 HD3 ARG 70 1HD ARG 70 -10.927 2.288 1.770 581 HH11 ARG 70 1HH1 ARG 70 -9.427 3.851 2.900 582 HH12 ARG 70 2HH1 ARG 70 -9.299 4.536 4.490 583 HH21 ARG 70 1HH2 ARG 70 -10.405 1.639 6.147 584 HH22 ARG 70 2HH2 ARG 70 -9.842 3.271 6.328 585 H SER 71 H SER 71 -11.158 -1.929 -0.389 586 HA SER 71 HA SER 71 -12.817 -3.416 1.388 587 HG SER 71 HG SER 71 -13.267 -0.824 -0.426 588 HB2 SER 71 2HB SER 71 -13.234 -2.697 -1.522 589 HB3 SER 71 1HB SER 71 -14.471 -3.368 -0.458 590 H ALA 72 H ALA 72 -10.729 -4.274 -1.269 591 HA ALA 72 HA ALA 72 -11.895 -6.942 -1.469 592 HB1 ALA 72 3HB ALA 72 -9.670 -5.663 -3.050 593 HB2 ALA 72 1HB ALA 72 -11.365 -5.761 -3.529 594 HB3 ALA 72 2HB ALA 72 -10.403 -7.232 -3.383 595 H VAL 73 H VAL 73 -8.853 -5.413 -0.481 596 HA VAL 73 HA VAL 73 -7.576 -7.976 -0.087 597 HB VAL 73 HB VAL 73 -6.582 -5.200 0.572 598 HG11 VAL 73 1HG1 VAL 73 -5.097 -7.826 0.471 599 HG12 VAL 73 2HG1 VAL 73 -5.473 -6.898 1.924 600 HG13 VAL 73 3HG1 VAL 73 -4.371 -6.237 0.716 601 HG21 VAL 73 3HG2 VAL 73 -5.223 -5.441 -1.450 602 HG22 VAL 73 1HG2 VAL 73 -6.946 -5.522 -1.816 603 HG23 VAL 73 2HG2 VAL 73 -5.983 -7.000 -1.774 604 H ALA 74 H ALA 74 -8.837 -5.390 2.005 605 HA ALA 74 HA ALA 74 -7.836 -6.600 4.395 606 HB1 ALA 74 3HB ALA 74 -9.105 -4.912 5.580 607 HB2 ALA 74 1HB ALA 74 -9.965 -4.489 4.098 608 HB3 ALA 74 2HB ALA 74 -8.232 -4.187 4.229 609 H ALA 75 H ALA 75 -10.823 -6.802 2.588 610 HA ALA 75 HA ALA 75 -12.240 -8.182 4.692 611 HB1 ALA 75 3HB ALA 75 -12.994 -7.839 1.788 612 HB2 ALA 75 1HB ALA 75 -13.438 -6.744 3.099 613 HB3 ALA 75 2HB ALA 75 -14.050 -8.398 3.088 614 H HIS 76 H HIS 76 -9.807 -9.076 2.717 615 HA HIS 76 HA HIS 76 -10.754 -11.695 1.976 616 HD1 HIS 76 HD1 HIS 76 -6.427 -12.306 0.594 617 HD2 HIS 76 HD2 HIS 76 -10.475 -13.117 0.085 618 HE1 HIS 76 HE1 HIS 76 -6.530 -14.395 -0.803 619 HE2 HIS 76 HE2 HIS 76 -8.982 -14.762 -1.249 620 HB2 HIS 76 2HB HIS 76 -9.017 -10.245 0.723 621 HB3 HIS 76 1HB HIS 76 -7.880 -10.791 1.948 622 H GLY 77 H GLY 77 -11.043 -13.139 3.505 623 HA2 GLY 77 2HA GLY 77 -9.210 -14.354 5.102 624 HA3 GLY 77 1HA GLY 77 -9.704 -12.960 6.058 625 H GLU 78 H GLU 78 -11.278 -15.368 3.997 626 HA GLU 78 HA GLU 78 -13.672 -15.216 5.631 627 HB2 GLU 78 2HB GLU 78 -14.648 -16.642 3.843 628 HB3 GLU 78 1HB GLU 78 -13.953 -15.144 3.233 629 HG2 GLU 78 2HG GLU 78 -11.918 -16.393 2.599 630 HG3 GLU 78 1HG GLU 78 -12.702 -17.881 3.122 631 H LYS 79 H LYS 79 -10.905 -16.892 5.927 632 HA LYS 79 HA LYS 79 -11.966 -19.526 6.372 633 HB2 LYS 79 2HB LYS 79 -9.266 -18.338 7.022 634 HB3 LYS 79 1HB LYS 79 -9.689 -20.030 7.249 635 HG2 LYS 79 2HG LYS 79 -10.143 -20.203 4.825 636 HG3 LYS 79 1HG LYS 79 -9.597 -18.534 4.640 637 HD2 LYS 79 2HD LYS 79 -7.791 -20.054 4.084 638 HD3 LYS 79 1HD LYS 79 -7.401 -19.179 5.567 639 HE2 LYS 79 2HE LYS 79 -8.156 -21.125 6.880 640 HE3 LYS 79 1HE LYS 79 -8.471 -21.996 5.382 641 HZ1 LYS 79 3HZ LYS 79 -6.111 -21.790 4.830 642 HZ2 LYS 79 1HZ LYS 79 -6.334 -22.618 6.293 643 HZ3 LYS 79 2HZ LYS 79 -5.826 -21.002 6.303 644 H ALA 80 H ALA 80 -10.784 -16.907 8.472 645 HA ALA 80 HA ALA 80 -12.443 -17.910 10.631 646 HB1 ALA 80 3HB ALA 80 -10.357 -19.167 10.915 647 HB2 ALA 80 1HB ALA 80 -10.622 -18.037 12.241 648 HB3 ALA 80 2HB ALA 80 -9.457 -17.652 10.975 649 H LEU 81 H LEU 81 -13.198 -16.308 11.874 650 HA LEU 81 HA LEU 81 -12.011 -13.637 11.489 651 HG LEU 81 HG LEU 81 -13.517 -12.766 9.754 652 HB2 LEU 81 2HB LEU 81 -14.885 -14.451 11.851 653 HB3 LEU 81 1HB LEU 81 -14.345 -12.812 12.149 654 HD11 LEU 81 1HD1 LEU 81 -15.180 -15.271 9.570 655 HD12 LEU 81 2HD1 LEU 81 -13.435 -15.155 9.333 656 HD13 LEU 81 3HD1 LEU 81 -14.537 -14.363 8.204 657 HD21 LEU 81 3HD2 LEU 81 -16.461 -13.132 10.273 658 HD22 LEU 81 1HD2 LEU 81 -15.764 -12.372 8.845 659 HD23 LEU 81 2HD2 LEU 81 -15.543 -11.634 10.431 660 H LYS 82 H LYS 82 -10.611 -14.327 13.277 661 HA LYS 82 HA LYS 82 -11.794 -14.434 15.915 662 HB2 LYS 82 2HB LYS 82 -9.698 -15.697 15.181 663 HB3 LYS 82 1HB LYS 82 -8.868 -14.151 15.215 664 HG2 LYS 82 2HG LYS 82 -9.338 -13.927 17.590 665 HG3 LYS 82 1HG LYS 82 -10.215 -15.457 17.568 666 HD2 LYS 82 2HD LYS 82 -8.006 -15.841 18.431 667 HD3 LYS 82 1HD LYS 82 -8.129 -16.585 16.835 668 HE2 LYS 82 2HE LYS 82 -7.020 -14.604 15.866 669 HE3 LYS 82 1HE LYS 82 -6.843 -13.937 17.489 670 HZ1 LYS 82 3HZ LYS 82 -5.623 -16.441 16.458 671 HZ2 LYS 82 1HZ LYS 82 -5.532 -15.927 18.072 672 HZ3 LYS 82 2HZ LYS 82 -4.812 -15.003 16.843 673 H VAL 83 H VAL 83 -10.847 -12.862 17.620 674 HA VAL 83 HA VAL 83 -11.739 -10.317 17.190 675 HB VAL 83 HB VAL 83 -11.267 -11.186 19.408 676 HG11 VAL 83 1HG1 VAL 83 -8.352 -10.817 18.731 677 HG12 VAL 83 2HG1 VAL 83 -9.181 -12.357 18.948 678 HG13 VAL 83 3HG1 VAL 83 -8.997 -11.257 20.313 679 HG21 VAL 83 3HG2 VAL 83 -11.482 -8.784 19.173 680 HG22 VAL 83 1HG2 VAL 83 -9.761 -8.642 18.816 681 HG23 VAL 83 2HG2 VAL 83 -10.290 -9.166 20.415 682 H THR 84 H THR 84 -8.455 -11.481 16.621 683 HA THR 84 HA THR 84 -7.203 -9.052 16.029 684 HB THR 84 HB THR 84 -6.560 -11.629 14.623 685 HG1 THR 84 HG1 THR 84 -5.303 -11.341 17.028 686 HG21 THR 84 3HG2 THR 84 -4.821 -9.450 15.794 687 HG22 THR 84 1HG2 THR 84 -5.214 -9.642 14.086 688 HG23 THR 84 2HG2 THR 84 -4.252 -10.868 14.914 689 H MET 85 H MET 85 -9.251 -11.144 14.115 690 HA MET 85 HA MET 85 -8.508 -10.059 11.575 691 HB2 MET 85 2HB MET 85 -10.751 -11.878 12.441 692 HB3 MET 85 1HB MET 85 -10.506 -11.381 10.769 693 HG2 MET 85 2HG MET 85 -8.517 -12.886 12.452 694 HG3 MET 85 1HG MET 85 -9.584 -13.599 11.245 695 HE1 MET 85 3HE MET 85 -6.070 -13.842 9.546 696 HE2 MET 85 1HE MET 85 -7.508 -14.727 10.059 697 HE3 MET 85 2HE MET 85 -6.430 -14.022 11.265 698 H ILE 86 H ILE 86 -10.924 -9.352 13.972 699 HA ILE 86 HA ILE 86 -12.736 -7.969 12.337 700 HB ILE 86 HB ILE 86 -12.163 -7.807 15.282 701 HG12 ILE 86 2HG1 ILE 86 -14.752 -8.482 15.042 702 HG13 ILE 86 1HG1 ILE 86 -14.166 -9.050 13.480 703 HG21 ILE 86 1HG2 ILE 86 -12.808 -5.544 14.611 704 HG22 ILE 86 2HG2 ILE 86 -14.076 -6.315 15.563 705 HG23 ILE 86 3HG2 ILE 86 -14.243 -6.188 13.812 706 HD11 ILE 86 3HD1 ILE 86 -13.186 -9.904 16.185 707 HD12 ILE 86 1HD1 ILE 86 -12.481 -10.408 14.649 708 HD13 ILE 86 2HD1 ILE 86 -14.141 -10.851 15.048 709 H GLN 87 H GLN 87 -9.691 -6.969 13.769 710 HA GLN 87 HA GLN 87 -9.834 -4.212 13.479 711 HB2 GLN 87 2HB GLN 87 -7.912 -5.314 14.515 712 HB3 GLN 87 1HB GLN 87 -7.455 -6.015 12.969 713 HG2 GLN 87 2HG GLN 87 -7.099 -3.740 12.076 714 HG3 GLN 87 1HG GLN 87 -7.470 -3.086 13.671 715 HE21 GLN 87 1HE2 GLN 87 -5.991 -3.324 15.326 716 HE22 GLN 87 2HE2 GLN 87 -4.347 -3.777 15.040 717 H LYS 88 H LYS 88 -9.041 -6.675 11.085 718 HA LYS 88 HA LYS 88 -8.353 -5.020 8.939 719 HB2 LYS 88 2HB LYS 88 -9.730 -7.714 8.859 720 HB3 LYS 88 1HB LYS 88 -8.889 -6.952 7.520 721 HG2 LYS 88 2HG LYS 88 -6.795 -7.300 8.471 722 HG3 LYS 88 1HG LYS 88 -7.467 -7.573 10.082 723 HD2 LYS 88 2HD LYS 88 -6.699 -9.658 9.006 724 HD3 LYS 88 1HD LYS 88 -8.426 -9.678 9.363 725 HE2 LYS 88 2HE LYS 88 -8.816 -8.967 6.985 726 HE3 LYS 88 1HE LYS 88 -7.100 -9.244 6.694 727 HZ1 LYS 88 3HZ LYS 88 -7.406 -11.555 7.364 728 HZ2 LYS 88 1HZ LYS 88 -8.402 -11.158 6.054 729 HZ3 LYS 88 2HZ LYS 88 -9.061 -11.277 7.609 730 H TYR 89 H TYR 89 -11.494 -6.338 9.912 731 HA TYR 89 HA TYR 89 -12.760 -5.329 7.522 732 HD1 TYR 89 HD2 TYR 89 -12.617 -7.450 6.544 733 HD2 TYR 89 HD1 TYR 89 -13.543 -8.812 10.467 734 HE1 TYR 89 HE2 TYR 89 -11.502 -9.584 6.060 735 HE2 TYR 89 HE1 TYR 89 -12.417 -10.948 9.993 736 HH TYR 89 HH TYR 89 -11.838 -12.316 7.924 737 HB2 TYR 89 2HB TYR 89 -14.107 -6.646 9.883 738 HB3 TYR 89 1HB TYR 89 -14.692 -6.552 8.224 739 H ARG 90 H ARG 90 -12.553 -4.445 10.904 740 HA ARG 90 HA ARG 90 -14.733 -2.564 10.744 741 HE ARG 90 HE ARG 90 -13.734 -1.112 14.613 742 HB2 ARG 90 2HB ARG 90 -14.276 -2.035 13.016 743 HB3 ARG 90 1HB ARG 90 -14.061 -3.770 12.851 744 HG2 ARG 90 2HG ARG 90 -11.674 -3.538 12.852 745 HG3 ARG 90 1HG ARG 90 -11.806 -1.779 12.807 746 HD2 ARG 90 2HD ARG 90 -12.771 -3.555 15.044 747 HD3 ARG 90 1HD ARG 90 -11.281 -2.613 15.057 748 HH11 ARG 90 1HH1 ARG 90 -11.282 -2.194 16.867 749 HH12 ARG 90 2HH1 ARG 90 -11.690 -1.010 18.078 750 HH21 ARG 90 1HH2 ARG 90 -14.279 0.457 16.205 751 HH22 ARG 90 2HH2 ARG 90 -13.374 0.509 17.696 752 H GLN 91 H GLN 91 -11.337 -2.523 10.149 753 HA GLN 91 HA GLN 91 -11.175 0.383 10.236 754 HB2 GLN 91 2HB GLN 91 -9.299 -1.149 10.975 755 HB3 GLN 91 1HB GLN 91 -9.083 -1.579 9.287 756 HG2 GLN 91 2HG GLN 91 -8.446 0.649 8.727 757 HG3 GLN 91 1HG GLN 91 -8.879 1.228 10.336 758 HE21 GLN 91 1HE2 GLN 91 -6.327 1.380 8.931 759 HE22 GLN 91 2HE2 GLN 91 -5.177 0.577 9.945 760 H LEU 92 H LEU 92 -11.669 -2.207 8.056 761 HA LEU 92 HA LEU 92 -11.210 -0.959 5.586 762 HG LEU 92 HG LEU 92 -11.937 -2.482 3.654 763 HB2 LEU 92 2HB LEU 92 -11.634 -3.401 6.009 764 HB3 LEU 92 1HB LEU 92 -13.317 -3.015 6.289 765 HD11 LEU 92 1HD1 LEU 92 -11.809 -4.865 4.200 766 HD12 LEU 92 2HD1 LEU 92 -12.923 -4.563 2.870 767 HD13 LEU 92 3HD1 LEU 92 -13.547 -4.893 4.486 768 HD21 LEU 92 3HD2 LEU 92 -14.852 -2.768 4.389 769 HD22 LEU 92 1HD2 LEU 92 -14.210 -2.456 2.778 770 HD23 LEU 92 2HD2 LEU 92 -14.027 -1.248 4.051 771 H HIS 93 H HIS 93 -14.171 -1.316 7.511 772 HA HIS 93 HA HIS 93 -15.636 0.455 5.756 773 HD1 HIS 93 HD1 HIS 93 -18.796 -0.741 5.491 774 HD2 HIS 93 HD2 HIS 93 -18.042 1.349 9.005 775 HE1 HIS 93 HE1 HIS 93 -20.813 0.720 5.863 776 HE2 HIS 93 HE2 HIS 93 -20.259 2.095 7.911 777 HB2 HIS 93 2HB HIS 93 -16.726 -1.535 6.685 778 HB3 HIS 93 1HB HIS 93 -16.451 -0.940 8.318 779 H HIS 94 H HIS 94 -15.316 2.585 5.955 780 HA HIS 94 HA HIS 94 -15.292 3.688 8.689 781 HD1 HIS 94 HD1 HIS 94 -14.752 7.427 6.879 782 HD2 HIS 94 HD2 HIS 94 -12.876 5.265 9.904 783 HE1 HIS 94 HE1 HIS 94 -14.156 9.108 8.658 784 HE2 HIS 94 HE2 HIS 94 -13.166 7.754 10.537 785 HB2 HIS 94 2HB HIS 94 -13.199 4.086 7.340 786 HB3 HIS 94 1HB HIS 94 -14.173 5.025 6.213 787 H HIS 95 H HIS 95 -17.548 3.742 8.794 788 HA HIS 95 HA HIS 95 -18.760 6.141 8.075 789 HD1 HIS 95 HD1 HIS 95 -22.191 4.160 6.239 790 HD2 HIS 95 HD2 HIS 95 -20.132 7.771 6.032 791 HE1 HIS 95 HE1 HIS 95 -23.938 5.919 5.810 792 HE2 HIS 95 HE2 HIS 95 -22.683 8.100 5.736 793 HB2 HIS 95 2HB HIS 95 -18.737 5.197 5.762 794 HB3 HIS 95 1HB HIS 95 -19.714 3.847 6.336
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