NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25802 | 2kc8 | 16065 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 5.472 13.961 -8.821 2 HA MET 1 HA MET 1 5.044 13.140 -6.021 3 HB2 MET 1 HB2 MET 1 5.234 11.446 -8.525 4 HB3 MET 1 HB1 MET 1 4.911 10.880 -6.897 5 HG2 MET 1 HG2 MET 1 3.104 12.547 -8.624 6 HG3 MET 1 HG1 MET 1 2.886 10.862 -8.176 7 HE1 MET 1 HE1 MET 1 0.629 13.033 -7.896 8 HE2 MET 1 HE2 MET 1 -0.031 12.653 -6.308 9 HE3 MET 1 HE3 MET 1 0.418 11.351 -7.410 10 H ALA 2 HN ALA 2 6.921 12.602 -4.980 11 HA ALA 2 HA ALA 2 9.401 12.936 -6.417 12 HB1 ALA 2 HB1 ALA 2 8.863 12.127 -3.553 13 HB2 ALA 2 HB2 ALA 2 9.206 13.764 -4.117 14 HB3 ALA 2 HB3 ALA 2 10.446 12.514 -4.225 15 H TYR 3 HN TYR 3 7.738 10.413 -4.681 16 HA TYR 3 HA TYR 3 9.332 8.369 -6.011 17 HB2 TYR 3 HB2 TYR 3 7.370 8.352 -3.738 18 HB3 TYR 3 HB1 TYR 3 7.757 6.861 -4.574 19 HD1 TYR 3 HD1 TYR 3 9.548 9.753 -2.954 20 HD2 TYR 3 HD2 TYR 3 9.401 5.552 -3.620 21 HE1 TYR 3 HE1 TYR 3 11.466 9.446 -1.433 22 HE2 TYR 3 HE2 TYR 3 11.320 5.234 -2.115 23 HH TYR 3 HH TYR 3 13.122 6.382 -1.042 24 H PHE 4 HN PHE 4 8.460 7.002 -7.478 25 HA PHE 4 HA PHE 4 6.046 7.912 -8.777 26 HB2 PHE 4 HB2 PHE 4 7.713 5.462 -9.388 27 HB3 PHE 4 HB1 PHE 4 6.492 6.184 -10.429 28 HD1 PHE 4 HD2 PHE 4 6.892 8.550 -11.265 29 HD2 PHE 4 HD1 PHE 4 9.903 6.156 -9.471 30 HE1 PHE 4 HE2 PHE 4 8.623 9.990 -12.249 31 HE2 PHE 4 HE1 PHE 4 11.628 7.557 -10.426 32 HZ PHE 4 HZ PHE 4 11.002 9.509 -11.835 33 H LEU 5 HN LEU 5 4.395 5.977 -9.494 34 HA LEU 5 HA LEU 5 3.807 4.642 -6.982 35 HB2 LEU 5 HB2 LEU 5 2.280 6.458 -7.516 36 HB3 LEU 5 HB1 LEU 5 2.012 5.779 -9.100 37 HG LEU 5 HG LEU 5 0.906 3.861 -8.106 38 HD11 LEU 5 HD11 LEU 5 0.316 3.906 -5.701 39 HD12 LEU 5 HD12 LEU 5 1.304 5.354 -5.493 40 HD13 LEU 5 HD13 LEU 5 2.061 3.822 -5.929 41 HD21 LEU 5 HD21 LEU 5 -1.100 5.088 -7.376 42 HD22 LEU 5 HD22 LEU 5 -0.364 5.798 -8.810 43 HD23 LEU 5 HD23 LEU 5 -0.122 6.540 -7.238 44 H ASP 6 HN ASP 6 3.680 2.525 -7.055 45 HA ASP 6 HA ASP 6 3.081 1.177 -9.608 46 HB2 ASP 6 HB2 ASP 6 5.471 0.693 -7.901 47 HB3 ASP 6 HB1 ASP 6 4.601 -0.748 -8.402 48 H PHE 7 HN PHE 7 1.957 -0.726 -9.451 49 HA PHE 7 HA PHE 7 0.944 -1.473 -6.797 50 HB2 PHE 7 HB2 PHE 7 -0.662 -0.617 -9.150 51 HB3 PHE 7 HB1 PHE 7 -1.275 -1.909 -8.136 52 HD1 PHE 7 HD1 PHE 7 -0.487 1.661 -8.315 53 HD2 PHE 7 HD2 PHE 7 -2.067 -1.481 -5.931 54 HE1 PHE 7 HE1 PHE 7 -1.510 3.306 -6.805 55 HE2 PHE 7 HE2 PHE 7 -3.084 0.167 -4.422 56 HZ PHE 7 HZ PHE 7 -2.805 2.564 -4.861 57 H ASP 8 HN ASP 8 0.834 -3.535 -6.479 58 HA ASP 8 HA ASP 8 1.587 -5.575 -8.249 59 HB2 ASP 8 HB2 ASP 8 1.705 -6.257 -6.033 60 HB3 ASP 8 HB1 ASP 8 0.248 -5.393 -5.585 61 H GLU 9 HN GLU 9 0.422 -6.822 -9.664 62 HA GLU 9 HA GLU 9 -1.847 -5.833 -10.899 63 HB2 GLU 9 HB2 GLU 9 -0.315 -8.318 -11.025 64 HB3 GLU 9 HB1 GLU 9 -1.988 -8.469 -11.539 65 HG2 GLU 9 HG2 GLU 9 -0.310 -6.244 -12.604 66 HG3 GLU 9 HG1 GLU 9 -0.138 -7.866 -13.266 67 H ARG 10 HN ARG 10 -1.653 -8.095 -8.269 68 HA ARG 10 HA ARG 10 -4.412 -8.856 -8.396 69 HB2 ARG 10 HB2 ARG 10 -2.680 -8.894 -5.922 70 HB3 ARG 10 HB1 ARG 10 -4.031 -9.954 -6.303 71 HG2 ARG 10 HG2 ARG 10 -2.764 -11.062 -8.003 72 HG3 ARG 10 HG1 ARG 10 -1.453 -9.895 -7.841 73 HD2 ARG 10 HD2 ARG 10 -1.276 -10.675 -5.435 74 HD3 ARG 10 HD1 ARG 10 -2.305 -12.029 -5.913 75 HE ARG 10 HE ARG 10 -0.081 -11.600 -7.636 76 HH11 ARG 10 HH11 ARG 10 -1.130 -13.283 -4.709 77 HH12 ARG 10 HH12 ARG 10 0.173 -14.389 -4.729 78 HH21 ARG 10 HH21 ARG 10 1.740 -13.120 -7.601 79 HH22 ARG 10 HH22 ARG 10 1.788 -14.295 -6.356 80 H ALA 11 HN ALA 11 -2.506 -6.515 -6.602 81 HA ALA 11 HA ALA 11 -4.486 -5.365 -5.020 82 HB1 ALA 11 HB1 ALA 11 -2.091 -4.986 -4.656 83 HB2 ALA 11 HB2 ALA 11 -2.986 -3.466 -4.734 84 HB3 ALA 11 HB3 ALA 11 -2.032 -4.001 -6.117 85 H LEU 12 HN LEU 12 -3.660 -4.645 -8.388 86 HA LEU 12 HA LEU 12 -5.266 -2.349 -8.668 87 HB2 LEU 12 HB2 LEU 12 -4.548 -4.450 -10.699 88 HB3 LEU 12 HB1 LEU 12 -5.700 -3.206 -11.098 89 HG LEU 12 HG LEU 12 -3.805 -1.547 -10.499 90 HD11 LEU 12 HD11 LEU 12 -2.128 -3.952 -10.978 91 HD12 LEU 12 HD12 LEU 12 -2.379 -3.194 -9.412 92 HD13 LEU 12 HD13 LEU 12 -1.579 -2.300 -10.712 93 HD21 LEU 12 HD21 LEU 12 -2.861 -1.711 -12.739 94 HD22 LEU 12 HD22 LEU 12 -4.615 -1.888 -12.753 95 HD23 LEU 12 HD23 LEU 12 -3.584 -3.310 -12.923 96 H LYS 13 HN LYS 13 -6.095 -5.718 -8.753 97 HA LYS 13 HA LYS 13 -8.794 -5.197 -9.583 98 HB2 LYS 13 HB2 LYS 13 -7.907 -7.815 -8.394 99 HB3 LYS 13 HB1 LYS 13 -9.071 -7.547 -9.676 100 HG2 LYS 13 HG2 LYS 13 -6.063 -7.455 -9.835 101 HG3 LYS 13 HG1 LYS 13 -7.145 -8.600 -10.607 102 HD2 LYS 13 HD2 LYS 13 -7.852 -6.988 -12.212 103 HD3 LYS 13 HD1 LYS 13 -7.174 -5.646 -11.276 104 HE2 LYS 13 HE2 LYS 13 -4.933 -6.654 -11.575 105 HE3 LYS 13 HE1 LYS 13 -5.634 -7.831 -12.691 106 HZ1 LYS 13 HZ1 LYS 13 -4.520 -5.915 -13.703 107 HZ2 LYS 13 HZ2 LYS 13 -5.695 -4.878 -13.077 108 HZ3 LYS 13 HZ3 LYS 13 -6.124 -6.034 -14.211 109 H GLU 14 HN GLU 14 -7.002 -5.586 -6.682 110 HA GLU 14 HA GLU 14 -9.044 -6.061 -4.828 111 HB2 GLU 14 HB2 GLU 14 -6.399 -4.687 -4.508 112 HB3 GLU 14 HB1 GLU 14 -7.459 -5.072 -3.169 113 HG2 GLU 14 HG2 GLU 14 -6.314 -7.103 -5.074 114 HG3 GLU 14 HG1 GLU 14 -5.574 -6.667 -3.543 115 H TRP 15 HN TRP 15 -7.664 -2.997 -6.032 116 HA TRP 15 HA TRP 15 -9.420 -1.624 -4.276 117 HB2 TRP 15 HB2 TRP 15 -8.687 0.486 -5.087 118 HB3 TRP 15 HB1 TRP 15 -7.281 -0.548 -5.142 119 HD1 TRP 15 HD1 TRP 15 -10.000 0.667 -7.693 120 HE1 TRP 15 HE1 TRP 15 -8.815 1.293 -9.861 121 HE3 TRP 15 HE3 TRP 15 -5.216 -0.618 -6.429 122 HZ2 TRP 15 HZ2 TRP 15 -6.242 1.240 -10.934 123 HZ3 TRP 15 HZ3 TRP 15 -3.456 -0.286 -8.107 124 HH2 TRP 15 HH2 TRP 15 -3.956 0.623 -10.306 125 H ARG 16 HN ARG 16 -9.831 -3.003 -7.305 126 HA ARG 16 HA ARG 16 -12.080 -1.394 -8.091 127 HB2 ARG 16 HB2 ARG 16 -11.445 -4.186 -9.054 128 HB3 ARG 16 HB1 ARG 16 -12.519 -3.055 -9.839 129 HG2 ARG 16 HG2 ARG 16 -9.525 -2.972 -9.651 130 HG3 ARG 16 HG1 ARG 16 -10.527 -3.116 -11.083 131 HD2 ARG 16 HD2 ARG 16 -10.310 -0.711 -9.322 132 HD3 ARG 16 HD1 ARG 16 -9.512 -0.937 -10.864 133 HE ARG 16 HE ARG 16 -12.428 -0.995 -10.762 134 HH11 ARG 16 HH11 ARG 16 -9.442 0.512 -11.894 135 HH12 ARG 16 HH12 ARG 16 -10.188 1.847 -12.627 136 HH21 ARG 16 HH21 ARG 16 -13.503 0.864 -11.853 137 HH22 ARG 16 HH22 ARG 16 -12.549 2.041 -12.627 138 H LYS 17 HN LYS 17 -11.628 -4.192 -6.098 139 HA LYS 17 HA LYS 17 -14.444 -4.867 -6.180 140 HB2 LYS 17 HB2 LYS 17 -13.777 -6.794 -4.660 141 HB3 LYS 17 HB1 LYS 17 -13.092 -6.803 -6.273 142 HG2 LYS 17 HG2 LYS 17 -11.272 -7.388 -4.970 143 HG3 LYS 17 HG1 LYS 17 -11.073 -5.656 -5.169 144 HD2 LYS 17 HD2 LYS 17 -10.642 -5.918 -2.909 145 HD3 LYS 17 HD1 LYS 17 -12.354 -5.506 -2.915 146 HE2 LYS 17 HE2 LYS 17 -11.853 -7.378 -1.406 147 HE3 LYS 17 HE1 LYS 17 -12.963 -7.835 -2.700 148 HZ1 LYS 17 HZ1 LYS 17 -10.030 -8.336 -2.861 149 HZ2 LYS 17 HZ2 LYS 17 -11.258 -8.984 -3.819 150 HZ3 LYS 17 HZ3 LYS 17 -11.123 -9.450 -2.215 151 H LEU 18 HN LEU 18 -12.789 -2.648 -4.555 152 HA LEU 18 HA LEU 18 -14.593 -2.896 -2.285 153 HB2 LEU 18 HB2 LEU 18 -12.975 -1.520 -0.951 154 HB3 LEU 18 HB1 LEU 18 -12.410 -3.110 -1.396 155 HG LEU 18 HG LEU 18 -11.157 -1.929 -3.294 156 HD11 LEU 18 HD11 LEU 18 -12.245 0.235 -3.170 157 HD12 LEU 18 HD12 LEU 18 -10.508 0.370 -2.903 158 HD13 LEU 18 HD13 LEU 18 -11.620 0.466 -1.537 159 HD21 LEU 18 HD21 LEU 18 -10.352 -1.529 -0.426 160 HD22 LEU 18 HD22 LEU 18 -9.290 -1.384 -1.832 161 HD23 LEU 18 HD23 LEU 18 -10.029 -2.936 -1.451 162 H GLY 19 HN GLY 19 -15.059 -0.706 -1.233 163 HA2 GLY 19 HA2 GLY 19 -16.674 0.720 -2.952 164 HA3 GLY 19 HA1 GLY 19 -16.184 1.274 -1.359 165 H SER 20 HN SER 20 -16.630 2.575 -4.056 166 HA SER 20 HA SER 20 -14.301 3.437 -5.236 167 HB2 SER 20 HB2 SER 20 -16.927 4.905 -4.993 168 HB3 SER 20 HB1 SER 20 -15.689 5.177 -6.220 169 HG SER 20 HG SER 20 -17.441 3.809 -6.871 170 H THR 21 HN THR 21 -16.027 4.869 -2.454 171 HA THR 21 HA THR 21 -14.345 7.176 -2.392 172 HB THR 21 HB THR 21 -16.080 6.128 -0.140 173 HG1 THR 21 HG1 THR 21 -17.770 6.712 -1.218 174 HG21 THR 21 HG21 THR 21 -14.629 8.051 0.389 175 HG22 THR 21 HG22 THR 21 -16.329 8.529 0.359 176 HG23 THR 21 HG23 THR 21 -15.281 8.921 -1.002 177 H VAL 22 HN VAL 22 -14.265 3.997 -1.127 178 HA VAL 22 HA VAL 22 -12.438 4.392 0.989 179 HB VAL 22 HB VAL 22 -13.036 1.874 -0.615 180 HG11 VAL 22 HG11 VAL 22 -11.610 2.176 2.011 181 HG12 VAL 22 HG12 VAL 22 -10.868 1.721 0.476 182 HG13 VAL 22 HG13 VAL 22 -12.046 0.652 1.238 183 HG21 VAL 22 HG21 VAL 22 -14.419 1.253 1.308 184 HG22 VAL 22 HG22 VAL 22 -14.988 2.744 0.560 185 HG23 VAL 22 HG23 VAL 22 -14.067 2.809 2.062 186 H ARG 23 HN ARG 23 -12.055 3.510 -2.429 187 HA ARG 23 HA ARG 23 -9.254 3.164 -2.247 188 HB2 ARG 23 HB2 ARG 23 -9.188 2.917 -4.592 189 HB3 ARG 23 HB1 ARG 23 -10.793 2.328 -4.170 190 HG2 ARG 23 HG2 ARG 23 -11.761 4.417 -4.884 191 HG3 ARG 23 HG1 ARG 23 -10.163 5.085 -5.183 192 HD2 ARG 23 HD2 ARG 23 -9.966 3.013 -6.834 193 HD3 ARG 23 HD1 ARG 23 -11.717 3.080 -6.735 194 HE ARG 23 HE ARG 23 -10.605 5.646 -7.152 195 HH11 ARG 23 HH11 ARG 23 -11.687 2.727 -8.884 196 HH12 ARG 23 HH12 ARG 23 -11.877 3.538 -10.371 197 HH21 ARG 23 HH21 ARG 23 -10.857 6.703 -9.191 198 HH22 ARG 23 HH22 ARG 23 -11.377 5.829 -10.550 199 H GLU 24 HN GLU 24 -11.266 5.993 -2.798 200 HA GLU 24 HA GLU 24 -9.169 7.653 -3.761 201 HB2 GLU 24 HB2 GLU 24 -11.795 8.463 -2.509 202 HB3 GLU 24 HB1 GLU 24 -10.697 9.538 -3.358 203 HG2 GLU 24 HG2 GLU 24 -12.126 7.178 -4.531 204 HG3 GLU 24 HG1 GLU 24 -12.584 8.868 -4.759 205 H GLN 25 HN GLN 25 -10.437 6.972 -0.578 206 HA GLN 25 HA GLN 25 -8.975 8.913 0.839 207 HB2 GLN 25 HB2 GLN 25 -9.854 6.149 1.684 208 HB3 GLN 25 HB1 GLN 25 -9.147 7.327 2.774 209 HG2 GLN 25 HG2 GLN 25 -11.046 8.836 2.339 210 HG3 GLN 25 HG1 GLN 25 -11.736 7.605 1.280 211 HE21 GLN 25 HE21 GLN 25 -12.632 5.823 2.128 212 HE22 GLN 25 HE22 GLN 25 -12.947 5.582 3.819 213 H LEU 26 HN LEU 26 -8.216 5.591 -0.067 214 HA LEU 26 HA LEU 26 -5.669 5.407 1.072 215 HB2 LEU 26 HB2 LEU 26 -6.754 4.063 -1.404 216 HB3 LEU 26 HB1 LEU 26 -5.287 3.589 -0.575 217 HG LEU 26 HG LEU 26 -8.069 3.459 0.600 218 HD11 LEU 26 HD11 LEU 26 -7.769 1.835 -1.180 219 HD12 LEU 26 HD12 LEU 26 -7.813 1.040 0.392 220 HD13 LEU 26 HD13 LEU 26 -6.274 1.275 -0.434 221 HD21 LEU 26 HD21 LEU 26 -5.413 2.488 1.663 222 HD22 LEU 26 HD22 LEU 26 -6.982 2.156 2.388 223 HD23 LEU 26 HD23 LEU 26 -6.379 3.810 2.322 224 H LYS 27 HN LYS 27 -6.705 6.522 -2.086 225 HA LYS 27 HA LYS 27 -4.222 6.947 -3.286 226 HB2 LYS 27 HB2 LYS 27 -6.887 8.285 -3.694 227 HB3 LYS 27 HB1 LYS 27 -5.473 8.701 -4.652 228 HG2 LYS 27 HG2 LYS 27 -5.360 6.501 -5.582 229 HG3 LYS 27 HG1 LYS 27 -6.583 5.906 -4.461 230 HD2 LYS 27 HD2 LYS 27 -7.442 6.307 -6.763 231 HD3 LYS 27 HD1 LYS 27 -8.296 7.233 -5.538 232 HE2 LYS 27 HE2 LYS 27 -6.920 9.203 -6.126 233 HE3 LYS 27 HE1 LYS 27 -6.139 8.257 -7.392 234 HZ1 LYS 27 HZ1 LYS 27 -8.246 8.036 -8.512 235 HZ2 LYS 27 HZ2 LYS 27 -7.940 9.662 -8.220 236 HZ3 LYS 27 HZ3 LYS 27 -9.057 8.830 -7.250 237 H LYS 28 HN LYS 28 -6.058 9.062 -1.147 238 HA LYS 28 HA LYS 28 -4.133 11.131 -1.562 239 HB2 LYS 28 HB2 LYS 28 -6.646 11.042 0.035 240 HB3 LYS 28 HB1 LYS 28 -5.436 12.249 0.460 241 HG2 LYS 28 HG2 LYS 28 -7.053 13.165 -1.098 242 HG3 LYS 28 HG1 LYS 28 -5.453 13.097 -1.830 243 HD2 LYS 28 HD2 LYS 28 -6.275 10.816 -2.768 244 HD3 LYS 28 HD1 LYS 28 -7.881 11.432 -2.400 245 HE2 LYS 28 HE2 LYS 28 -5.812 12.697 -4.149 246 HE3 LYS 28 HE1 LYS 28 -7.268 11.880 -4.700 247 HZ1 LYS 28 HZ1 LYS 28 -7.619 14.266 -4.743 248 HZ2 LYS 28 HZ2 LYS 28 -7.134 14.426 -3.156 249 HZ3 LYS 28 HZ3 LYS 28 -8.581 13.623 -3.521 250 H LYS 29 HN LYS 29 -4.492 8.611 0.669 251 HA LYS 29 HA LYS 29 -2.500 9.664 2.422 252 HB2 LYS 29 HB2 LYS 29 -3.495 6.821 2.085 253 HB3 LYS 29 HB1 LYS 29 -2.421 7.358 3.366 254 HG2 LYS 29 HG2 LYS 29 -5.297 8.184 2.940 255 HG3 LYS 29 HG1 LYS 29 -4.673 7.154 4.226 256 HD2 LYS 29 HD2 LYS 29 -4.004 10.083 3.827 257 HD3 LYS 29 HD1 LYS 29 -5.130 9.445 5.015 258 HE2 LYS 29 HE2 LYS 29 -2.215 8.702 4.915 259 HE3 LYS 29 HE1 LYS 29 -2.833 10.023 5.885 260 HZ1 LYS 29 HZ1 LYS 29 -2.532 7.925 7.108 261 HZ2 LYS 29 HZ2 LYS 29 -3.764 7.197 6.211 262 HZ3 LYS 29 HZ3 LYS 29 -4.081 8.519 7.199 263 H LEU 30 HN LEU 30 -2.554 8.217 -0.636 264 HA LEU 30 HA LEU 30 0.135 7.233 -0.481 265 HB2 LEU 30 HB2 LEU 30 -1.786 7.421 -2.791 266 HB3 LEU 30 HB1 LEU 30 -0.146 6.834 -2.949 267 HG LEU 30 HG LEU 30 -2.304 5.561 -1.267 268 HD11 LEU 30 HD11 LEU 30 -1.075 4.712 -3.883 269 HD12 LEU 30 HD12 LEU 30 -2.713 5.322 -3.656 270 HD13 LEU 30 HD13 LEU 30 -2.238 3.784 -2.939 271 HD21 LEU 30 HD21 LEU 30 -0.095 5.189 -0.305 272 HD22 LEU 30 HD22 LEU 30 0.519 4.684 -1.876 273 HD23 LEU 30 HD23 LEU 30 -0.693 3.707 -1.051 274 H VAL 31 HN VAL 31 -1.528 10.065 -1.746 275 HA VAL 31 HA VAL 31 0.702 10.995 -3.187 276 HB VAL 31 HB VAL 31 -1.559 11.961 -3.590 277 HG11 VAL 31 HG11 VAL 31 -2.348 12.162 -1.312 278 HG12 VAL 31 HG12 VAL 31 -2.473 13.699 -2.168 279 HG13 VAL 31 HG13 VAL 31 -1.169 13.435 -1.008 280 HG21 VAL 31 HG21 VAL 31 -0.886 14.284 -3.930 281 HG22 VAL 31 HG22 VAL 31 0.413 13.172 -4.379 282 HG23 VAL 31 HG23 VAL 31 0.485 14.045 -2.851 283 H GLU 32 HN GLU 32 -0.126 11.328 0.194 284 HA GLU 32 HA GLU 32 2.017 13.130 0.662 285 HB2 GLU 32 HB2 GLU 32 1.671 12.586 3.099 286 HB3 GLU 32 HB1 GLU 32 0.279 13.247 2.257 287 HG2 GLU 32 HG2 GLU 32 -0.717 11.068 2.116 288 HG3 GLU 32 HG1 GLU 32 0.724 10.334 2.817 289 H VAL 33 HN VAL 33 1.824 9.584 0.720 290 HA VAL 33 HA VAL 33 4.446 9.396 1.885 291 HB VAL 33 HB VAL 33 4.393 7.050 1.623 292 HG11 VAL 33 HG11 VAL 33 2.234 6.374 2.384 293 HG12 VAL 33 HG12 VAL 33 1.662 7.975 1.838 294 HG13 VAL 33 HG13 VAL 33 2.836 7.869 3.169 295 HG21 VAL 33 HG21 VAL 33 3.933 6.906 -0.734 296 HG22 VAL 33 HG22 VAL 33 2.236 7.330 -0.455 297 HG23 VAL 33 HG23 VAL 33 2.900 5.812 0.187 298 H LEU 34 HN LEU 34 3.200 9.745 -1.226 299 HA LEU 34 HA LEU 34 5.472 8.853 -2.555 300 HB2 LEU 34 HB2 LEU 34 3.324 10.718 -3.568 301 HB3 LEU 34 HB1 LEU 34 4.635 10.169 -4.588 302 HG LEU 34 HG LEU 34 2.527 8.407 -3.314 303 HD11 LEU 34 HD11 LEU 34 1.740 8.086 -5.587 304 HD12 LEU 34 HD12 LEU 34 2.970 9.206 -6.170 305 HD13 LEU 34 HD13 LEU 34 1.667 9.793 -5.134 306 HD21 LEU 34 HD21 LEU 34 3.462 6.643 -4.716 307 HD22 LEU 34 HD22 LEU 34 4.640 7.238 -3.550 308 HD23 LEU 34 HD23 LEU 34 4.741 7.740 -5.238 309 H GLU 35 HN GLU 35 4.970 11.530 -0.760 310 HA GLU 35 HA GLU 35 7.058 13.192 -1.919 311 HB2 GLU 35 HB2 GLU 35 4.919 14.124 -1.000 312 HB3 GLU 35 HB1 GLU 35 5.390 13.530 0.580 313 HG2 GLU 35 HG2 GLU 35 5.832 15.866 0.444 314 HG3 GLU 35 HG1 GLU 35 7.362 14.990 0.496 315 H SER 36 HN SER 36 6.236 11.440 1.033 316 HA SER 36 HA SER 36 8.995 10.835 1.645 317 HB2 SER 36 HB2 SER 36 7.195 12.332 3.597 318 HB3 SER 36 HB1 SER 36 8.765 11.653 4.012 319 HG SER 36 HG SER 36 9.293 13.636 3.549 320 HA PRO 37 HA PRO 37 6.065 7.454 2.379 321 HB2 PRO 37 HB2 PRO 37 7.412 5.496 1.268 322 HB3 PRO 37 HB1 PRO 37 6.719 6.789 0.276 323 HG2 PRO 37 HG2 PRO 37 9.547 6.419 1.186 324 HG3 PRO 37 HG1 PRO 37 8.946 6.921 -0.403 325 HD2 PRO 37 HD2 PRO 37 9.860 8.662 1.558 326 HD3 PRO 37 HD1 PRO 37 8.760 9.094 0.230 327 H ARG 38 HN ARG 38 8.996 7.952 3.907 328 HA ARG 38 HA ARG 38 8.977 5.298 5.117 329 HB2 ARG 38 HB2 ARG 38 10.931 7.555 5.592 330 HB3 ARG 38 HB1 ARG 38 11.069 5.921 6.210 331 HG2 ARG 38 HG2 ARG 38 11.315 5.056 3.962 332 HG3 ARG 38 HG1 ARG 38 11.107 6.677 3.297 333 HD2 ARG 38 HD2 ARG 38 13.071 7.416 4.558 334 HD3 ARG 38 HD1 ARG 38 13.316 5.761 5.125 335 HE ARG 38 HE ARG 38 13.290 5.456 2.478 336 HH11 ARG 38 HH11 ARG 38 15.052 7.635 4.610 337 HH12 ARG 38 HH12 ARG 38 16.382 7.836 3.563 338 HH21 ARG 38 HH21 ARG 38 15.082 5.749 0.996 339 HH22 ARG 38 HH22 ARG 38 16.407 6.707 1.452 340 H ILE 39 HN ILE 39 7.025 5.531 6.180 341 HA ILE 39 HA ILE 39 7.042 7.504 8.320 342 HB ILE 39 HB ILE 39 4.666 5.851 7.395 343 HG12 ILE 39 HG12 ILE 39 5.435 8.682 6.558 344 HG13 ILE 39 HG11 ILE 39 5.475 7.263 5.524 345 HG21 ILE 39 HG21 ILE 39 3.378 7.591 8.594 346 HG22 ILE 39 HG22 ILE 39 4.890 8.378 9.050 347 HG23 ILE 39 HG23 ILE 39 4.517 6.770 9.665 348 HD11 ILE 39 HD11 ILE 39 3.078 7.055 5.673 349 HD12 ILE 39 HD12 ILE 39 3.565 8.649 5.085 350 HD13 ILE 39 HD13 ILE 39 3.011 8.453 6.753 351 H GLU 40 HN GLU 40 8.426 6.415 9.557 352 HA GLU 40 HA GLU 40 8.530 3.703 10.091 353 HB2 GLU 40 HB2 GLU 40 10.038 4.232 11.925 354 HB3 GLU 40 HB1 GLU 40 10.399 5.220 10.527 355 HG2 GLU 40 HG2 GLU 40 8.986 6.087 13.045 356 HG3 GLU 40 HG1 GLU 40 10.617 6.523 12.549 357 H ALA 41 HN ALA 41 6.551 6.098 11.609 358 HA ALA 41 HA ALA 41 5.671 4.648 13.838 359 HB1 ALA 41 HB1 ALA 41 4.069 6.569 12.147 360 HB2 ALA 41 HB2 ALA 41 5.148 7.023 13.465 361 HB3 ALA 41 HB3 ALA 41 3.694 6.084 13.801 362 H ASN 42 HN ASN 42 4.723 4.452 10.458 363 HA ASN 42 HA ASN 42 2.569 2.574 11.026 364 HB2 ASN 42 HB2 ASN 42 3.428 4.047 8.544 365 HB3 ASN 42 HB1 ASN 42 2.185 2.808 8.542 366 HD21 ASN 42 HD21 ASN 42 2.174 5.690 7.993 367 HD22 ASN 42 HD22 ASN 42 0.904 6.344 8.968 368 H LYS 43 HN LYS 43 5.693 2.098 10.972 369 HA LYS 43 HA LYS 43 6.295 0.399 8.825 370 HB2 LYS 43 HB2 LYS 43 8.141 -0.417 10.082 371 HB3 LYS 43 HB1 LYS 43 7.960 1.289 10.474 372 HG2 LYS 43 HG2 LYS 43 6.843 0.679 12.575 373 HG3 LYS 43 HG1 LYS 43 7.038 -1.025 12.177 374 HD2 LYS 43 HD2 LYS 43 9.259 0.964 12.623 375 HD3 LYS 43 HD1 LYS 43 8.742 -0.280 13.759 376 HE2 LYS 43 HE2 LYS 43 9.948 -0.748 11.023 377 HE3 LYS 43 HE1 LYS 43 10.766 -0.929 12.564 378 HZ1 LYS 43 HZ1 LYS 43 8.468 -2.620 11.631 379 HZ2 LYS 43 HZ2 LYS 43 9.272 -2.778 13.111 380 HZ3 LYS 43 HZ3 LYS 43 10.087 -3.035 11.698 381 H LEU 44 HN LEU 44 6.326 -1.801 8.557 382 HA LEU 44 HA LEU 44 4.216 -3.244 9.873 383 HB2 LEU 44 HB2 LEU 44 4.636 -3.374 7.411 384 HB3 LEU 44 HB1 LEU 44 6.188 -4.102 7.734 385 HG LEU 44 HG LEU 44 5.079 -6.107 8.626 386 HD11 LEU 44 HD11 LEU 44 3.057 -5.062 9.516 387 HD12 LEU 44 HD12 LEU 44 2.676 -6.385 8.418 388 HD13 LEU 44 HD13 LEU 44 2.517 -4.716 7.873 389 HD21 LEU 44 HD21 LEU 44 4.063 -5.237 5.928 390 HD22 LEU 44 HD22 LEU 44 4.063 -6.889 6.534 391 HD23 LEU 44 HD23 LEU 44 5.590 -6.057 6.260 392 H ARG 45 HN ARG 45 4.737 -5.514 10.618 393 HA ARG 45 HA ARG 45 6.986 -5.327 12.477 394 HB2 ARG 45 HB2 ARG 45 4.632 -5.605 13.284 395 HB3 ARG 45 HB1 ARG 45 4.598 -7.148 12.459 396 HG2 ARG 45 HG2 ARG 45 6.330 -7.976 13.900 397 HG3 ARG 45 HG1 ARG 45 6.378 -6.432 14.769 398 HD2 ARG 45 HD2 ARG 45 3.909 -6.741 15.213 399 HD3 ARG 45 HD1 ARG 45 4.067 -8.355 14.545 400 HE ARG 45 HE ARG 45 5.984 -8.223 16.459 401 HH11 ARG 45 HH11 ARG 45 2.439 -7.900 16.411 402 HH12 ARG 45 HH12 ARG 45 2.264 -8.331 18.055 403 HH21 ARG 45 HH21 ARG 45 5.701 -8.791 18.697 404 HH22 ARG 45 HH22 ARG 45 4.126 -8.825 19.367 405 H GLY 46 HN GLY 46 8.575 -5.995 10.942 406 HA2 GLY 46 HA2 GLY 46 9.729 -8.278 10.933 407 HA3 GLY 46 HA1 GLY 46 8.307 -8.776 10.022 408 H MET 47 HN MET 47 7.948 -6.511 8.479 409 HA MET 47 HA MET 47 10.287 -6.687 6.691 410 HB2 MET 47 HB2 MET 47 7.498 -5.735 6.034 411 HB3 MET 47 HB1 MET 47 8.803 -5.962 4.897 412 HG2 MET 47 HG2 MET 47 7.390 -8.135 6.423 413 HG3 MET 47 HG1 MET 47 7.150 -7.731 4.727 414 HE1 MET 47 HE1 MET 47 8.841 -11.162 4.391 415 HE2 MET 47 HE2 MET 47 7.574 -10.086 3.810 416 HE3 MET 47 HE3 MET 47 7.567 -10.616 5.491 417 HA PRO 48 HA PRO 48 10.651 -2.459 8.343 418 HB2 PRO 48 HB2 PRO 48 13.174 -1.999 7.495 419 HB3 PRO 48 HB1 PRO 48 12.823 -2.969 8.926 420 HG2 PRO 48 HG2 PRO 48 13.487 -3.871 6.150 421 HG3 PRO 48 HG1 PRO 48 14.073 -4.506 7.697 422 HD2 PRO 48 HD2 PRO 48 12.104 -5.697 6.270 423 HD3 PRO 48 HD1 PRO 48 12.173 -5.764 8.040 424 H ASP 49 HN ASP 49 10.821 -3.577 5.137 425 HA ASP 49 HA ASP 49 11.098 -0.928 3.935 426 HB2 ASP 49 HB2 ASP 49 10.632 -3.614 2.613 427 HB3 ASP 49 HB1 ASP 49 10.967 -2.106 1.781 428 H CYS 50 HN CYS 50 8.615 -2.685 5.269 429 HA CYS 50 HA CYS 50 6.673 -1.659 3.329 430 HB2 CYS 50 HB2 CYS 50 6.418 -4.116 5.060 431 HB3 CYS 50 HB1 CYS 50 5.248 -3.543 3.872 432 HG CYS 50 HG CYS 50 8.169 -3.881 2.445 433 H TYR 51 HN TYR 51 4.817 -0.741 4.115 434 HA TYR 51 HA TYR 51 4.594 -0.285 6.998 435 HB2 TYR 51 HB2 TYR 51 4.351 1.881 4.878 436 HB3 TYR 51 HB1 TYR 51 4.182 2.098 6.614 437 HD1 TYR 51 HD2 TYR 51 6.580 1.562 3.869 438 HD2 TYR 51 HD1 TYR 51 6.135 2.268 8.028 439 HE1 TYR 51 HE2 TYR 51 8.977 2.075 4.034 440 HE2 TYR 51 HE1 TYR 51 8.531 2.780 8.197 441 HH TYR 51 HH TYR 51 10.549 2.279 7.009 442 H LYS 52 HN LYS 52 2.328 0.498 7.516 443 HA LYS 52 HA LYS 52 0.378 -0.443 5.504 444 HB2 LYS 52 HB2 LYS 52 -0.348 -0.612 8.410 445 HB3 LYS 52 HB1 LYS 52 -0.964 -1.510 7.063 446 HG2 LYS 52 HG2 LYS 52 0.114 -3.069 8.440 447 HG3 LYS 52 HG1 LYS 52 1.208 -2.809 7.079 448 HD2 LYS 52 HD2 LYS 52 2.408 -2.880 9.202 449 HD3 LYS 52 HD1 LYS 52 2.564 -1.302 8.436 450 HE2 LYS 52 HE2 LYS 52 2.237 -0.965 10.781 451 HE3 LYS 52 HE1 LYS 52 0.752 -0.466 9.999 452 HZ1 LYS 52 HZ1 LYS 52 0.404 -1.764 12.012 453 HZ2 LYS 52 HZ2 LYS 52 1.237 -3.053 11.369 454 HZ3 LYS 52 HZ3 LYS 52 -0.267 -2.609 10.727 455 H ILE 53 HN ILE 53 -1.041 1.049 5.061 456 HA ILE 53 HA ILE 53 -1.509 3.174 7.009 457 HB ILE 53 HB ILE 53 -2.355 3.137 4.095 458 HG12 ILE 53 HG12 ILE 53 0.118 4.439 5.294 459 HG13 ILE 53 HG11 ILE 53 0.104 3.012 4.280 460 HG21 ILE 53 HG21 ILE 53 -2.053 5.352 6.124 461 HG22 ILE 53 HG22 ILE 53 -3.554 4.578 5.686 462 HG23 ILE 53 HG23 ILE 53 -2.683 5.545 4.474 463 HD11 ILE 53 HD11 ILE 53 -0.824 5.737 3.408 464 HD12 ILE 53 HD12 ILE 53 -0.781 4.270 2.425 465 HD13 ILE 53 HD13 ILE 53 0.723 4.979 3.009 466 H LYS 54 HN LYS 54 -3.745 3.525 7.524 467 HA LYS 54 HA LYS 54 -5.605 1.591 6.495 468 HB2 LYS 54 HB2 LYS 54 -6.289 1.062 8.854 469 HB3 LYS 54 HB1 LYS 54 -4.733 0.406 8.355 470 HG2 LYS 54 HG2 LYS 54 -3.716 2.472 9.407 471 HG3 LYS 54 HG1 LYS 54 -5.288 2.722 10.173 472 HD2 LYS 54 HD2 LYS 54 -3.558 0.288 10.369 473 HD3 LYS 54 HD1 LYS 54 -3.688 1.544 11.603 474 HE2 LYS 54 HE2 LYS 54 -6.119 1.006 11.827 475 HE3 LYS 54 HE1 LYS 54 -5.908 -0.305 10.670 476 HZ1 LYS 54 HZ1 LYS 54 -5.860 -1.078 12.987 477 HZ2 LYS 54 HZ2 LYS 54 -4.508 -0.126 13.287 478 HZ3 LYS 54 HZ3 LYS 54 -4.398 -1.407 12.230 479 H LEU 55 HN LEU 55 -7.721 2.147 6.907 480 HA LEU 55 HA LEU 55 -8.128 5.014 7.126 481 HB2 LEU 55 HB2 LEU 55 -9.918 2.797 6.125 482 HB3 LEU 55 HB1 LEU 55 -10.273 4.510 6.031 483 HG LEU 55 HG LEU 55 -8.049 3.085 4.579 484 HD11 LEU 55 HD11 LEU 55 -9.326 3.581 2.574 485 HD12 LEU 55 HD12 LEU 55 -10.611 4.283 3.559 486 HD13 LEU 55 HD13 LEU 55 -10.234 2.565 3.688 487 HD21 LEU 55 HD21 LEU 55 -8.897 5.979 4.511 488 HD22 LEU 55 HD22 LEU 55 -7.744 5.233 3.409 489 HD23 LEU 55 HD23 LEU 55 -7.368 5.346 5.126 490 H ARG 56 HN ARG 56 -8.896 5.759 8.900 491 HA ARG 56 HA ARG 56 -9.151 4.312 11.270 492 HB2 ARG 56 HB2 ARG 56 -10.395 6.998 10.717 493 HB3 ARG 56 HB1 ARG 56 -9.930 6.356 12.281 494 HG2 ARG 56 HG2 ARG 56 -8.039 7.075 10.045 495 HG3 ARG 56 HG1 ARG 56 -8.373 8.059 11.464 496 HD2 ARG 56 HD2 ARG 56 -7.197 5.281 11.537 497 HD3 ARG 56 HD1 ARG 56 -6.263 6.770 11.581 498 HE ARG 56 HE ARG 56 -8.283 6.244 13.642 499 HH11 ARG 56 HH11 ARG 56 -4.893 6.782 12.740 500 HH12 ARG 56 HH12 ARG 56 -4.328 6.922 14.329 501 HH21 ARG 56 HH21 ARG 56 -7.490 6.392 15.877 502 HH22 ARG 56 HH22 ARG 56 -5.840 6.684 16.155 503 H SER 57 HN SER 57 -11.703 5.701 9.226 504 HA SER 57 HA SER 57 -13.684 4.453 10.908 505 HB2 SER 57 HB2 SER 57 -15.244 5.832 9.490 506 HB3 SER 57 HB1 SER 57 -14.091 6.744 10.463 507 HG SER 57 HG SER 57 -14.514 7.060 8.035 508 H SER 58 HN SER 58 -12.518 4.331 7.573 509 HA SER 58 HA SER 58 -14.654 2.716 6.664 510 HB2 SER 58 HB2 SER 58 -11.950 3.109 5.399 511 HB3 SER 58 HB1 SER 58 -13.408 2.518 4.601 512 HG SER 58 HG SER 58 -14.090 4.738 5.779 513 H GLY 59 HN GLY 59 -11.479 1.879 8.019 514 HA2 GLY 59 HA2 GLY 59 -10.989 -0.152 9.026 515 HA3 GLY 59 HA1 GLY 59 -12.450 -0.828 8.335 516 H TYR 60 HN TYR 60 -10.884 0.606 5.855 517 HA TYR 60 HA TYR 60 -9.734 -1.942 5.004 518 HB2 TYR 60 HB2 TYR 60 -10.393 0.578 3.468 519 HB3 TYR 60 HB1 TYR 60 -9.477 -0.748 2.764 520 HD1 TYR 60 HD1 TYR 60 -12.760 0.084 4.319 521 HD2 TYR 60 HD2 TYR 60 -10.583 -2.575 1.820 522 HE1 TYR 60 HE1 TYR 60 -14.853 -1.026 3.682 523 HE2 TYR 60 HE2 TYR 60 -12.669 -3.698 1.178 524 HH TYR 60 HH TYR 60 -14.921 -4.030 2.188 525 H ARG 61 HN ARG 61 -7.594 -1.819 3.814 526 HA ARG 61 HA ARG 61 -5.876 0.248 4.892 527 HB2 ARG 61 HB2 ARG 61 -4.310 -1.431 5.763 528 HB3 ARG 61 HB1 ARG 61 -5.849 -1.440 6.615 529 HG2 ARG 61 HG2 ARG 61 -6.555 -3.396 5.378 530 HG3 ARG 61 HG1 ARG 61 -5.062 -3.363 4.444 531 HD2 ARG 61 HD2 ARG 61 -4.965 -4.994 6.171 532 HD3 ARG 61 HD1 ARG 61 -3.782 -3.719 6.459 533 HE ARG 61 HE ARG 61 -6.381 -3.848 7.879 534 HH11 ARG 61 HH11 ARG 61 -2.888 -3.312 7.943 535 HH12 ARG 61 HH12 ARG 61 -2.823 -3.167 9.648 536 HH21 ARG 61 HH21 ARG 61 -6.283 -3.646 10.184 537 HH22 ARG 61 HH22 ARG 61 -4.789 -3.353 10.938 538 H LEU 62 HN LEU 62 -3.605 -0.194 4.105 539 HA LEU 62 HA LEU 62 -3.412 -1.523 1.553 540 HB2 LEU 62 HB2 LEU 62 -4.253 0.717 1.027 541 HB3 LEU 62 HB1 LEU 62 -3.014 1.449 2.010 542 HG LEU 62 HG LEU 62 -2.279 -0.135 -0.445 543 HD11 LEU 62 HD11 LEU 62 -2.381 1.943 -1.717 544 HD12 LEU 62 HD12 LEU 62 -3.046 2.784 -0.316 545 HD13 LEU 62 HD13 LEU 62 -3.979 1.517 -1.111 546 HD21 LEU 62 HD21 LEU 62 -1.008 2.222 0.963 547 HD22 LEU 62 HD22 LEU 62 -0.362 1.389 -0.452 548 HD23 LEU 62 HD23 LEU 62 -0.481 0.543 1.092 549 H VAL 63 HN VAL 63 -1.322 -2.216 1.249 550 HA VAL 63 HA VAL 63 0.672 -1.530 3.314 551 HB VAL 63 HB VAL 63 0.404 -4.168 1.840 552 HG11 VAL 63 HG11 VAL 63 2.149 -3.406 4.177 553 HG12 VAL 63 HG12 VAL 63 2.674 -3.693 2.518 554 HG13 VAL 63 HG13 VAL 63 2.016 -5.020 3.474 555 HG21 VAL 63 HG21 VAL 63 -0.425 -3.510 4.660 556 HG22 VAL 63 HG22 VAL 63 -0.329 -5.130 3.964 557 HG23 VAL 63 HG23 VAL 63 -1.480 -3.963 3.311 558 H TYR 64 HN TYR 64 2.528 -0.769 2.455 559 HA TYR 64 HA TYR 64 3.020 -1.303 -0.376 560 HB2 TYR 64 HB2 TYR 64 3.644 1.014 -0.795 561 HB3 TYR 64 HB1 TYR 64 2.002 0.956 -0.178 562 HD1 TYR 64 HD2 TYR 64 1.539 1.710 2.157 563 HD2 TYR 64 HD1 TYR 64 5.379 2.141 0.382 564 HE1 TYR 64 HE2 TYR 64 2.172 3.306 3.913 565 HE2 TYR 64 HE1 TYR 64 6.023 3.720 2.118 566 HH TYR 64 HH TYR 64 5.104 5.142 3.776 567 H GLN 65 HN GLN 65 5.222 -0.917 -0.977 568 HA GLN 65 HA GLN 65 7.123 -1.264 1.225 569 HB2 GLN 65 HB2 GLN 65 6.691 -3.297 -0.210 570 HB3 GLN 65 HB1 GLN 65 7.269 -2.364 -1.580 571 HG2 GLN 65 HG2 GLN 65 9.450 -2.113 -0.438 572 HG3 GLN 65 HG1 GLN 65 8.856 -3.146 0.858 573 HE21 GLN 65 HE21 GLN 65 8.172 -3.538 -2.517 574 HE22 GLN 65 HE22 GLN 65 9.030 -5.031 -2.730 575 H VAL 66 HN VAL 66 8.898 -0.005 1.036 576 HA VAL 66 HA VAL 66 8.765 2.092 -1.012 577 HB VAL 66 HB VAL 66 10.406 2.046 1.543 578 HG11 VAL 66 HG11 VAL 66 9.908 4.282 -0.421 579 HG12 VAL 66 HG12 VAL 66 11.432 3.422 -0.206 580 HG13 VAL 66 HG13 VAL 66 10.792 4.426 1.099 581 HG21 VAL 66 HG21 VAL 66 8.029 2.177 2.002 582 HG22 VAL 66 HG22 VAL 66 7.873 3.500 0.851 583 HG23 VAL 66 HG23 VAL 66 8.801 3.731 2.334 584 H ILE 67 HN ILE 67 9.881 1.594 -2.753 585 HA ILE 67 HA ILE 67 12.378 0.105 -2.507 586 HB ILE 67 HB ILE 67 10.815 0.878 -4.992 587 HG12 ILE 67 HG12 ILE 67 10.890 -1.767 -3.503 588 HG13 ILE 67 HG11 ILE 67 9.527 -0.659 -3.547 589 HG21 ILE 67 HG21 ILE 67 13.195 0.469 -5.406 590 HG22 ILE 67 HG22 ILE 67 12.209 -0.811 -6.116 591 HG23 ILE 67 HG23 ILE 67 13.075 -1.097 -4.603 592 HD11 ILE 67 HD11 ILE 67 9.304 -1.051 -5.957 593 HD12 ILE 67 HD12 ILE 67 9.189 -2.549 -5.035 594 HD13 ILE 67 HD13 ILE 67 10.676 -2.157 -5.897 595 H ASP 68 HN ASP 68 14.086 1.414 -2.200 596 HA ASP 68 HA ASP 68 13.983 4.176 -2.972 597 HB2 ASP 68 HB2 ASP 68 16.124 2.567 -1.602 598 HB3 ASP 68 HB1 ASP 68 16.404 4.221 -2.130 599 H GLU 69 HN GLU 69 15.646 1.344 -4.124 600 HA GLU 69 HA GLU 69 17.435 2.612 -5.862 601 HB2 GLU 69 HB2 GLU 69 17.513 0.446 -7.107 602 HB3 GLU 69 HB1 GLU 69 17.762 0.294 -5.372 603 HG2 GLU 69 HG2 GLU 69 15.587 -0.563 -5.046 604 HG3 GLU 69 HG1 GLU 69 15.104 -0.150 -6.684 605 H LYS 70 HN LYS 70 14.127 1.586 -6.480 606 HA LYS 70 HA LYS 70 14.289 2.658 -9.208 607 HB2 LYS 70 HB2 LYS 70 12.138 0.992 -7.881 608 HB3 LYS 70 HB1 LYS 70 12.076 1.557 -9.543 609 HG2 LYS 70 HG2 LYS 70 14.059 0.223 -10.070 610 HG3 LYS 70 HG1 LYS 70 14.134 -0.339 -8.402 611 HD2 LYS 70 HD2 LYS 70 11.930 -1.376 -8.640 612 HD3 LYS 70 HD1 LYS 70 11.821 -0.786 -10.295 613 HE2 LYS 70 HE2 LYS 70 12.449 -3.111 -10.338 614 HE3 LYS 70 HE1 LYS 70 13.819 -2.149 -10.865 615 HZ1 LYS 70 HZ1 LYS 70 14.833 -2.469 -8.620 616 HZ2 LYS 70 HZ2 LYS 70 14.460 -3.920 -9.372 617 HZ3 LYS 70 HZ3 LYS 70 13.467 -3.364 -8.170 618 H VAL 71 HN VAL 71 13.599 3.708 -6.238 619 HA VAL 71 HA VAL 71 12.402 5.308 -5.195 620 HB VAL 71 HB VAL 71 12.224 6.793 -7.815 621 HG11 VAL 71 HG11 VAL 71 12.698 7.755 -5.008 622 HG12 VAL 71 HG12 VAL 71 11.149 7.707 -5.821 623 HG13 VAL 71 HG13 VAL 71 12.429 8.771 -6.435 624 HG21 VAL 71 HG21 VAL 71 14.469 5.936 -7.684 625 HG22 VAL 71 HG22 VAL 71 14.645 6.606 -6.048 626 HG23 VAL 71 HG23 VAL 71 14.437 7.688 -7.443 627 H VAL 72 HN VAL 72 10.608 3.703 -5.147 628 HA VAL 72 HA VAL 72 8.278 4.917 -6.262 629 HB VAL 72 HB VAL 72 9.104 3.627 -8.159 630 HG11 VAL 72 HG11 VAL 72 10.337 1.913 -7.061 631 HG12 VAL 72 HG12 VAL 72 9.159 1.193 -8.156 632 HG13 VAL 72 HG13 VAL 72 8.859 1.201 -6.412 633 HG21 VAL 72 HG21 VAL 72 7.082 2.326 -8.639 634 HG22 VAL 72 HG22 VAL 72 6.739 3.914 -7.960 635 HG23 VAL 72 HG23 VAL 72 6.607 2.474 -6.942 636 H VAL 73 HN VAL 73 6.475 4.441 -5.196 637 HA VAL 73 HA VAL 73 6.642 2.751 -2.864 638 HB VAL 73 HB VAL 73 4.502 4.648 -3.882 639 HG11 VAL 73 HG11 VAL 73 3.431 4.370 -1.701 640 HG12 VAL 73 HG12 VAL 73 4.639 3.164 -1.260 641 HG13 VAL 73 HG13 VAL 73 3.504 2.836 -2.569 642 HG21 VAL 73 HG21 VAL 73 5.201 6.028 -1.993 643 HG22 VAL 73 HG22 VAL 73 6.466 5.755 -3.193 644 HG23 VAL 73 HG23 VAL 73 6.502 4.871 -1.658 645 H PHE 74 HN PHE 74 6.303 0.769 -3.288 646 HA PHE 74 HA PHE 74 4.524 0.042 -5.470 647 HB2 PHE 74 HB2 PHE 74 6.730 -0.854 -5.733 648 HB3 PHE 74 HB1 PHE 74 6.734 -1.474 -4.088 649 HD1 PHE 74 HD2 PHE 74 4.121 -1.755 -6.725 650 HD2 PHE 74 HD1 PHE 74 6.991 -3.744 -4.304 651 HE1 PHE 74 HE2 PHE 74 3.295 -3.911 -7.524 652 HE2 PHE 74 HE1 PHE 74 6.159 -5.908 -5.100 653 HZ PHE 74 HZ PHE 74 4.310 -5.987 -6.709 654 H VAL 75 HN VAL 75 2.563 -0.052 -4.704 655 HA VAL 75 HA VAL 75 1.925 -1.023 -2.102 656 HB VAL 75 HB VAL 75 0.090 -0.524 -4.450 657 HG11 VAL 75 HG11 VAL 75 -1.653 -0.323 -2.729 658 HG12 VAL 75 HG12 VAL 75 -0.468 -0.774 -1.502 659 HG13 VAL 75 HG13 VAL 75 -0.918 -1.927 -2.754 660 HG21 VAL 75 HG21 VAL 75 1.328 1.486 -3.904 661 HG22 VAL 75 HG22 VAL 75 0.906 1.321 -2.203 662 HG23 VAL 75 HG23 VAL 75 -0.352 1.661 -3.399 663 H ILE 76 HN ILE 76 1.647 -3.023 -1.573 664 HA ILE 76 HA ILE 76 1.646 -5.046 -3.667 665 HB ILE 76 HB ILE 76 2.495 -5.147 -0.775 666 HG12 ILE 76 HG12 ILE 76 4.025 -5.444 -3.371 667 HG13 ILE 76 HG11 ILE 76 3.989 -4.009 -2.363 668 HG21 ILE 76 HG21 ILE 76 3.249 -7.473 -1.216 669 HG22 ILE 76 HG22 ILE 76 2.385 -7.439 -2.756 670 HG23 ILE 76 HG23 ILE 76 1.500 -7.297 -1.237 671 HD11 ILE 76 HD11 ILE 76 5.113 -5.231 -0.589 672 HD12 ILE 76 HD12 ILE 76 6.040 -5.265 -2.089 673 HD13 ILE 76 HD13 ILE 76 5.115 -6.684 -1.588 674 H SER 77 HN SER 77 -0.171 -4.075 -0.771 675 HA SER 77 HA SER 77 -2.221 -5.972 -1.644 676 HB2 SER 77 HB2 SER 77 -1.315 -5.626 1.217 677 HB3 SER 77 HB1 SER 77 -2.561 -6.735 0.630 678 HG SER 77 HG SER 77 -0.493 -7.194 -0.842 679 H VAL 78 HN VAL 78 -4.350 -5.318 -1.272 680 HA VAL 78 HA VAL 78 -4.840 -2.778 0.057 681 HB VAL 78 HB VAL 78 -5.772 -3.375 -2.790 682 HG11 VAL 78 HG11 VAL 78 -7.425 -2.167 -1.511 683 HG12 VAL 78 HG12 VAL 78 -6.737 -1.134 -2.765 684 HG13 VAL 78 HG13 VAL 78 -6.231 -0.940 -1.083 685 HG21 VAL 78 HG21 VAL 78 -3.851 -1.242 -1.863 686 HG22 VAL 78 HG22 VAL 78 -4.440 -1.460 -3.512 687 HG23 VAL 78 HG23 VAL 78 -3.420 -2.692 -2.764 688 H GLY 79 HN GLY 79 -6.646 -3.081 1.308 689 HA2 GLY 79 HA2 GLY 79 -9.084 -3.673 0.817 690 HA3 GLY 79 HA1 GLY 79 -8.434 -5.308 0.624 691 H LYS 80 HN LYS 80 -9.690 -6.022 2.417 692 HA LYS 80 HA LYS 80 -8.780 -4.889 4.945 693 HB2 LYS 80 HB2 LYS 80 -11.212 -6.621 4.471 694 HB3 LYS 80 HB1 LYS 80 -10.688 -6.013 6.029 695 HG2 LYS 80 HG2 LYS 80 -10.973 -3.705 5.144 696 HG3 LYS 80 HG1 LYS 80 -11.661 -4.409 3.682 697 HD2 LYS 80 HD2 LYS 80 -13.485 -3.788 5.052 698 HD3 LYS 80 HD1 LYS 80 -13.359 -5.542 5.188 699 HE2 LYS 80 HE2 LYS 80 -12.109 -5.236 7.318 700 HE3 LYS 80 HE1 LYS 80 -12.336 -3.501 7.161 701 HZ1 LYS 80 HZ1 LYS 80 -13.971 -4.395 8.632 702 HZ2 LYS 80 HZ2 LYS 80 -14.479 -5.524 7.527 703 HZ3 LYS 80 HZ3 LYS 80 -14.758 -3.878 7.242 704 H ALA 81 HN ALA 81 -7.562 -5.898 6.219 705 HA ALA 81 HA ALA 81 -7.453 -8.742 6.422 706 HB1 ALA 81 HB1 ALA 81 -5.576 -8.254 4.883 707 HB2 ALA 81 HB2 ALA 81 -4.939 -8.599 6.493 708 HB3 ALA 81 HB3 ALA 81 -5.044 -6.937 5.929 709 H GLU 82 HN GLU 82 -6.430 -9.072 8.682 710 HA GLU 82 HA GLU 82 -6.439 -6.688 10.269 711 HB2 GLU 82 HB2 GLU 82 -8.488 -7.193 11.565 712 HB3 GLU 82 HB1 GLU 82 -8.817 -6.836 9.884 713 HG2 GLU 82 HG2 GLU 82 -9.177 -9.171 9.405 714 HG3 GLU 82 HG1 GLU 82 -8.696 -9.607 11.045 715 H ALA 83 HN ALA 83 -7.178 -7.745 12.661 716 HA ALA 83 HA ALA 83 -5.227 -9.899 13.102 717 HB1 ALA 83 HB1 ALA 83 -6.092 -7.654 14.887 718 HB2 ALA 83 HB2 ALA 83 -4.558 -7.761 14.024 719 HB3 ALA 83 HB3 ALA 83 -4.936 -8.914 15.306 720 H SER 84 HN SER 84 -8.273 -8.417 14.105 721 HA SER 84 HA SER 84 -8.996 -10.031 16.160 722 HB2 SER 84 HB2 SER 84 -10.781 -8.643 14.190 723 HB3 SER 84 HB1 SER 84 -11.158 -9.081 15.858 724 HG SER 84 HG SER 84 -10.109 -7.434 16.542 725 H GLU 85 HN GLU 85 -10.579 -10.224 12.933 726 HA GLU 85 HA GLU 85 -11.656 -12.717 13.739 727 HB2 GLU 85 HB2 GLU 85 -11.875 -11.337 11.081 728 HB3 GLU 85 HB1 GLU 85 -12.803 -12.758 11.557 729 HG2 GLU 85 HG2 GLU 85 -12.900 -10.024 12.819 730 HG3 GLU 85 HG1 GLU 85 -14.160 -10.791 11.855 731 H VAL 86 HN VAL 86 -8.726 -12.029 12.537 732 HA VAL 86 HA VAL 86 -8.266 -14.358 10.955 733 HB VAL 86 HB VAL 86 -6.262 -12.728 12.552 734 HG11 VAL 86 HG11 VAL 86 -5.365 -14.885 11.838 735 HG12 VAL 86 HG12 VAL 86 -4.610 -13.573 10.937 736 HG13 VAL 86 HG13 VAL 86 -5.859 -14.559 10.178 737 HG21 VAL 86 HG21 VAL 86 -7.182 -12.412 9.710 738 HG22 VAL 86 HG22 VAL 86 -5.869 -11.515 10.473 739 HG23 VAL 86 HG23 VAL 86 -7.523 -11.328 11.054 740 H TYR 87 HN TYR 87 -8.182 -13.524 14.330 741 HA TYR 87 HA TYR 87 -7.161 -16.104 15.110 742 HB2 TYR 87 HB2 TYR 87 -6.605 -14.065 16.414 743 HB3 TYR 87 HB1 TYR 87 -8.307 -13.859 16.801 744 HD1 TYR 87 HD1 TYR 87 -9.400 -15.365 18.414 745 HD2 TYR 87 HD2 TYR 87 -5.262 -15.745 17.516 746 HE1 TYR 87 HE1 TYR 87 -9.109 -16.784 20.397 747 HE2 TYR 87 HE2 TYR 87 -4.963 -17.170 19.494 748 HH TYR 87 HH TYR 87 -7.524 -18.550 21.145 749 H SER 88 HN SER 88 -10.224 -14.321 15.169 750 HA SER 88 HA SER 88 -11.781 -16.140 16.561 751 HB2 SER 88 HB2 SER 88 -12.743 -14.339 14.347 752 HB3 SER 88 HB1 SER 88 -13.655 -14.922 15.733 753 HG SER 88 HG SER 88 -12.649 -12.701 15.688 754 H GLU 89 HN GLU 89 -11.621 -15.739 12.974 755 HA GLU 89 HA GLU 89 -13.148 -18.135 12.582 756 HB2 GLU 89 HB2 GLU 89 -11.566 -16.472 10.617 757 HB3 GLU 89 HB1 GLU 89 -12.697 -17.750 10.189 758 HG2 GLU 89 HG2 GLU 89 -13.376 -15.164 11.570 759 HG3 GLU 89 HG1 GLU 89 -13.701 -15.552 9.885 760 H ALA 90 HN ALA 90 -9.837 -17.110 12.323 761 HA ALA 90 HA ALA 90 -7.868 -18.086 12.249 762 HB1 ALA 90 HB1 ALA 90 -8.632 -19.063 14.370 763 HB2 ALA 90 HB2 ALA 90 -7.476 -20.093 13.528 764 HB3 ALA 90 HB3 ALA 90 -9.194 -20.488 13.497 765 H VAL 91 HN VAL 91 -9.644 -21.063 11.666 766 HA VAL 91 HA VAL 91 -8.293 -21.266 9.082 767 HB VAL 91 HB VAL 91 -7.816 -23.670 9.542 768 HG11 VAL 91 HG11 VAL 91 -5.855 -23.318 10.980 769 HG12 VAL 91 HG12 VAL 91 -6.494 -21.744 11.458 770 HG13 VAL 91 HG13 VAL 91 -6.021 -22.032 9.784 771 HG21 VAL 91 HG21 VAL 91 -7.853 -24.495 11.819 772 HG22 VAL 91 HG22 VAL 91 -9.467 -23.989 11.312 773 HG23 VAL 91 HG23 VAL 91 -8.517 -22.963 12.386 774 H LYS 92 HN LYS 92 -9.185 -23.056 7.823 775 HA LYS 92 HA LYS 92 -11.963 -23.722 8.460 776 HB2 LYS 92 HB2 LYS 92 -12.550 -23.206 6.087 777 HB3 LYS 92 HB1 LYS 92 -12.110 -21.791 7.030 778 HG2 LYS 92 HG2 LYS 92 -9.811 -21.962 6.034 779 HG3 LYS 92 HG1 LYS 92 -10.445 -23.210 4.963 780 HD2 LYS 92 HD2 LYS 92 -12.084 -21.628 4.078 781 HD3 LYS 92 HD1 LYS 92 -11.473 -20.381 5.167 782 HE2 LYS 92 HE2 LYS 92 -9.240 -20.624 4.076 783 HE3 LYS 92 HE1 LYS 92 -9.981 -21.718 2.913 784 HZ1 LYS 92 HZ1 LYS 92 -11.483 -19.904 2.264 785 HZ2 LYS 92 HZ2 LYS 92 -9.874 -19.477 2.028 786 HZ3 LYS 92 HZ3 LYS 92 -10.717 -18.884 3.356 787 H ARG 93 HN ARG 93 -9.059 -24.842 8.014 788 HA ARG 93 HA ARG 93 -9.821 -27.098 6.292 789 HB2 ARG 93 HB2 ARG 93 -7.958 -25.817 5.414 790 HB3 ARG 93 HB1 ARG 93 -7.110 -25.947 6.941 791 HG2 ARG 93 HG2 ARG 93 -6.800 -28.331 6.579 792 HG3 ARG 93 HG1 ARG 93 -7.706 -28.236 5.064 793 HD2 ARG 93 HD2 ARG 93 -6.080 -26.732 4.131 794 HD3 ARG 93 HD1 ARG 93 -5.238 -26.632 5.666 795 HE ARG 93 HE ARG 93 -4.974 -29.182 5.224 796 HH11 ARG 93 HH11 ARG 93 -4.867 -26.693 2.717 797 HH12 ARG 93 HH12 ARG 93 -3.559 -27.379 1.887 798 HH21 ARG 93 HH21 ARG 93 -3.174 -30.125 4.104 799 HH22 ARG 93 HH22 ARG 93 -2.558 -29.407 2.703 800 H ILE 94 HN ILE 94 -7.331 -26.717 8.826 801 HA ILE 94 HA ILE 94 -8.377 -29.172 10.000 802 HB ILE 94 HB ILE 94 -6.065 -29.398 11.029 803 HG12 ILE 94 HG12 ILE 94 -5.337 -27.380 8.879 804 HG13 ILE 94 HG11 ILE 94 -5.302 -27.073 10.609 805 HG21 ILE 94 HG21 ILE 94 -6.372 -29.646 8.049 806 HG22 ILE 94 HG22 ILE 94 -6.795 -30.850 9.267 807 HG23 ILE 94 HG23 ILE 94 -5.106 -30.413 9.004 808 HD11 ILE 94 HD11 ILE 94 -3.075 -27.478 9.730 809 HD12 ILE 94 HD12 ILE 94 -3.586 -29.057 9.129 810 HD13 ILE 94 HD13 ILE 94 -3.537 -28.745 10.866 811 H LEU 95 HN LEU 95 -9.330 -29.006 11.846 812 HA LEU 95 HA LEU 95 -9.058 -26.568 13.375 813 HB2 LEU 95 HB2 LEU 95 -10.947 -28.922 13.727 814 HB3 LEU 95 HB1 LEU 95 -10.938 -27.499 14.733 815 HG LEU 95 HG LEU 95 -12.780 -27.293 13.302 816 HD11 LEU 95 HD11 LEU 95 -12.335 -25.295 11.987 817 HD12 LEU 95 HD12 LEU 95 -10.607 -25.550 12.212 818 HD13 LEU 95 HD13 LEU 95 -11.641 -25.231 13.606 819 HD21 LEU 95 HD21 LEU 95 -10.978 -27.854 10.943 820 HD22 LEU 95 HD22 LEU 95 -12.681 -27.405 10.846 821 HD23 LEU 95 HD23 LEU 95 -12.214 -28.933 11.595 822 H LYS 47 H LYS 47 6.164 0.345 26.392 823 HA LYS 47 HA LYS 47 4.945 3.019 25.933 824 HB2 LYS 47 HB2 LYS 47 6.802 1.390 24.199 825 HB3 LYS 47 HB1 LYS 47 5.911 2.782 23.643 826 HG2 LYS 47 HG2 LYS 47 7.132 4.177 25.255 827 HG3 LYS 47 HG1 LYS 47 8.043 2.746 25.746 828 HD2 LYS 47 HD2 LYS 47 8.910 2.456 23.512 829 HD3 LYS 47 HD1 LYS 47 7.916 3.780 22.921 830 HE2 LYS 47 HE2 LYS 47 10.108 4.041 24.969 831 HE3 LYS 47 HE1 LYS 47 10.290 4.403 23.252 832 HZ1 LYS 47 HZ1 LYS 47 9.908 6.405 24.470 833 HZ2 LYS 47 HZ2 LYS 47 8.512 5.797 25.184 834 HZ3 LYS 47 HZ3 LYS 47 8.541 6.106 23.532 835 H GLN 48 HN GLN 48 5.183 -0.333 24.847 836 HA GLN 48 HA GLN 48 3.916 -1.701 23.739 837 HB2 GLN 48 HB2 GLN 48 1.672 0.321 24.071 838 HB3 GLN 48 HB1 GLN 48 1.469 -1.240 23.284 839 HG2 GLN 48 HG2 GLN 48 2.093 -2.375 25.343 840 HG3 GLN 48 HG1 GLN 48 2.322 -0.825 26.143 841 HE21 GLN 48 HE21 GLN 48 -0.302 -1.476 23.903 842 HE22 GLN 48 HE22 GLN 48 -1.543 -1.427 25.093 843 H THR 49 HN THR 49 3.502 -2.207 21.632 844 HA THR 49 HA THR 49 4.928 -0.446 19.913 845 HB THR 49 HB THR 49 4.618 -2.375 18.320 846 HG1 THR 49 HG1 THR 49 2.909 -3.502 19.016 847 HG21 THR 49 HG21 THR 49 5.817 -2.949 21.031 848 HG22 THR 49 HG22 THR 49 6.621 -2.103 19.710 849 HG23 THR 49 HG23 THR 49 6.196 -3.810 19.538 850 H LEU 50 HN LEU 50 4.182 0.487 17.981 851 HA LEU 50 HA LEU 50 1.418 1.100 17.859 852 HB2 LEU 50 HB2 LEU 50 3.620 1.547 15.872 853 HB3 LEU 50 HB1 LEU 50 2.010 2.233 15.792 854 HG LEU 50 HG LEU 50 4.166 2.858 17.796 855 HD11 LEU 50 HD11 LEU 50 3.851 5.105 16.932 856 HD12 LEU 50 HD12 LEU 50 2.613 4.440 15.847 857 HD13 LEU 50 HD13 LEU 50 4.301 3.941 15.662 858 HD21 LEU 50 HD21 LEU 50 2.053 2.714 19.016 859 HD22 LEU 50 HD22 LEU 50 1.278 3.748 17.820 860 HD23 LEU 50 HD23 LEU 50 2.557 4.395 18.845 861 H LEU 51 HN LEU 51 3.637 -1.053 16.328 862 HA LEU 51 HA LEU 51 1.713 -2.179 14.552 863 HB2 LEU 51 HB2 LEU 51 3.526 -3.953 14.236 864 HB3 LEU 51 HB1 LEU 51 3.925 -2.327 13.748 865 HG LEU 51 HG LEU 51 5.119 -2.131 16.019 866 HD11 LEU 51 HD11 LEU 51 4.967 -5.126 15.887 867 HD12 LEU 51 HD12 LEU 51 4.177 -4.102 17.082 868 HD13 LEU 51 HD13 LEU 51 5.939 -4.176 17.010 869 HD21 LEU 51 HD21 LEU 51 7.147 -3.179 15.132 870 HD22 LEU 51 HD22 LEU 51 6.295 -2.229 13.913 871 HD23 LEU 51 HD23 LEU 51 6.173 -3.991 13.906 872 H SER 52 HN SER 52 1.014 -4.509 14.718 873 HA SER 52 HA SER 52 0.648 -5.283 17.509 874 HB2 SER 52 HB2 SER 52 -1.028 -3.522 16.939 875 HB3 SER 52 HB1 SER 52 -1.628 -4.547 15.646 876 HG SER 52 HG SER 52 -2.140 -4.594 18.299 877 H ASP 53 HN ASP 53 -1.597 -6.989 16.873 878 HA ASP 53 HA ASP 53 -0.276 -9.224 15.595 879 HB2 ASP 53 HB2 ASP 53 -2.404 -10.382 16.168 880 HB3 ASP 53 HB1 ASP 53 -1.435 -9.861 17.558 881 H GLU 54 HN GLU 54 -2.184 -6.812 14.575 882 HA GLU 54 HA GLU 54 -3.365 -8.112 12.326 883 HB2 GLU 54 HB2 GLU 54 -3.429 -5.871 11.205 884 HB3 GLU 54 HB1 GLU 54 -4.121 -5.847 12.814 885 HG2 GLU 54 HG2 GLU 54 -2.354 -4.597 13.683 886 HG3 GLU 54 HG1 GLU 54 -1.267 -5.035 12.368 887 H ASP 55 HN ASP 55 -0.274 -6.574 12.838 888 HA ASP 55 HA ASP 55 0.806 -6.602 10.299 889 HB2 ASP 55 HB2 ASP 55 2.176 -6.886 12.961 890 HB3 ASP 55 HB1 ASP 55 2.972 -6.533 11.430 891 H ALA 56 HN ALA 56 0.570 -9.084 12.661 892 HA ALA 56 HA ALA 56 2.407 -10.931 11.630 893 HB1 ALA 56 HB1 ALA 56 1.180 -12.603 12.877 894 HB2 ALA 56 HB2 ALA 56 -0.168 -11.481 13.075 895 HB3 ALA 56 HB3 ALA 56 1.386 -11.135 13.844 896 H GLU 57 HN GLU 57 -0.796 -10.041 10.567 897 HA GLU 57 HA GLU 57 -0.892 -12.320 8.800 898 HB2 GLU 57 HB2 GLU 57 -2.998 -11.790 9.818 899 HB3 GLU 57 HB1 GLU 57 -2.864 -10.108 9.340 900 HG2 GLU 57 HG2 GLU 57 -3.118 -10.609 7.035 901 HG3 GLU 57 HG1 GLU 57 -2.926 -12.327 7.321 902 H LEU 58 HN LEU 58 -0.502 -8.853 8.720 903 HA LEU 58 HA LEU 58 -0.584 -8.691 5.917 904 HB2 LEU 58 HB2 LEU 58 0.564 -6.782 7.931 905 HB3 LEU 58 HB1 LEU 58 0.696 -6.490 6.214 906 HG LEU 58 HG LEU 58 -1.095 -5.192 6.964 907 HD11 LEU 58 HD11 LEU 58 -2.999 -5.985 5.749 908 HD12 LEU 58 HD12 LEU 58 -2.387 -7.626 5.798 909 HD13 LEU 58 HD13 LEU 58 -1.529 -6.404 4.862 910 HD21 LEU 58 HD21 LEU 58 -1.526 -6.217 9.108 911 HD22 LEU 58 HD22 LEU 58 -2.249 -7.615 8.313 912 HD23 LEU 58 HD23 LEU 58 -3.027 -6.032 8.197 913 H VAL 59 HN VAL 59 2.040 -9.539 8.023 914 HA VAL 59 HA VAL 59 4.057 -9.196 6.065 915 HB VAL 59 HB VAL 59 5.544 -10.578 7.437 916 HG11 VAL 59 HG11 VAL 59 3.941 -8.632 9.027 917 HG12 VAL 59 HG12 VAL 59 5.335 -8.291 8.002 918 HG13 VAL 59 HG13 VAL 59 5.529 -9.256 9.464 919 HG21 VAL 59 HG21 VAL 59 3.121 -11.117 9.164 920 HG22 VAL 59 HG22 VAL 59 4.785 -11.548 9.563 921 HG23 VAL 59 HG23 VAL 59 3.988 -12.298 8.179 922 H GLU 60 HN GLU 60 1.871 -11.854 6.697 923 HA GLU 60 HA GLU 60 3.355 -13.577 4.959 924 HB2 GLU 60 HB2 GLU 60 1.446 -15.196 5.233 925 HB3 GLU 60 HB1 GLU 60 2.242 -14.727 6.723 926 HG2 GLU 60 HG2 GLU 60 0.424 -13.315 7.331 927 HG3 GLU 60 HG1 GLU 60 -0.337 -13.525 5.751 928 H ILE 61 HN ILE 61 0.752 -11.383 4.632 929 HA ILE 61 HA ILE 61 -0.128 -12.301 2.067 930 HB ILE 61 HB ILE 61 -0.511 -9.586 3.378 931 HG12 ILE 61 HG12 ILE 61 -2.335 -12.006 3.273 932 HG13 ILE 61 HG11 ILE 61 -1.455 -11.453 4.690 933 HG21 ILE 61 HG21 ILE 61 -2.351 -9.269 1.814 934 HG22 ILE 61 HG22 ILE 61 -1.994 -10.824 1.075 935 HG23 ILE 61 HG23 ILE 61 -0.829 -9.502 0.944 936 HD11 ILE 61 HD11 ILE 61 -3.638 -9.953 3.260 937 HD12 ILE 61 HD12 ILE 61 -2.769 -9.391 4.686 938 HD13 ILE 61 HD13 ILE 61 -3.798 -10.820 4.787 939 H VAL 62 HN VAL 62 1.985 -9.696 3.186 940 HA VAL 62 HA VAL 62 2.469 -8.618 0.654 941 HB VAL 62 HB VAL 62 2.862 -7.330 2.735 942 HG11 VAL 62 HG11 VAL 62 5.321 -9.007 3.119 943 HG12 VAL 62 HG12 VAL 62 3.860 -9.051 4.094 944 HG13 VAL 62 HG13 VAL 62 4.860 -7.592 4.074 945 HG21 VAL 62 HG21 VAL 62 3.887 -6.529 0.718 946 HG22 VAL 62 HG22 VAL 62 5.295 -7.555 0.991 947 HG23 VAL 62 HG23 VAL 62 4.950 -6.218 2.090 948 H LYS 63 HN LYS 63 4.319 -10.996 2.524 949 HA LYS 63 HA LYS 63 6.427 -11.187 0.632 950 HB2 LYS 63 HB2 LYS 63 7.226 -13.059 1.917 951 HB3 LYS 63 HB1 LYS 63 6.645 -11.825 3.023 952 HG2 LYS 63 HG2 LYS 63 4.530 -13.113 3.249 953 HG3 LYS 63 HG1 LYS 63 5.273 -14.399 2.299 954 HD2 LYS 63 HD2 LYS 63 6.245 -13.328 4.959 955 HD3 LYS 63 HD1 LYS 63 5.494 -14.892 4.682 956 HE2 LYS 63 HE2 LYS 63 7.405 -15.437 3.146 957 HE3 LYS 63 HE1 LYS 63 8.151 -13.933 3.651 958 HZ1 LYS 63 HZ1 LYS 63 7.483 -16.192 5.444 959 HZ2 LYS 63 HZ2 LYS 63 8.132 -14.737 5.958 960 HZ3 LYS 63 HZ3 LYS 63 9.030 -15.741 4.951 961 H GLU 64 HN GLU 64 3.322 -12.662 0.895 962 HA GLU 64 HA GLU 64 3.705 -14.847 -0.812 963 HB2 GLU 64 HB2 GLU 64 1.743 -14.874 0.517 964 HB3 GLU 64 HB1 GLU 64 1.269 -13.270 -0.003 965 HG2 GLU 64 HG2 GLU 64 0.694 -14.062 -2.168 966 HG3 GLU 64 HG1 GLU 64 1.325 -15.658 -1.846 967 H ARG 65 HN ARG 65 2.412 -11.649 -1.403 968 HA ARG 65 HA ARG 65 2.144 -12.133 -4.202 969 HB2 ARG 65 HB2 ARG 65 2.050 -9.658 -2.580 970 HB3 ARG 65 HB1 ARG 65 1.620 -9.692 -4.300 971 HG2 ARG 65 HG2 ARG 65 -0.194 -11.307 -3.624 972 HG3 ARG 65 HG1 ARG 65 0.234 -10.966 -1.946 973 HD2 ARG 65 HD2 ARG 65 -0.121 -8.550 -2.415 974 HD3 ARG 65 HD1 ARG 65 -0.720 -8.997 -4.009 975 HE ARG 65 HE ARG 65 -1.995 -10.211 -1.720 976 HH11 ARG 65 HH11 ARG 65 -2.146 -7.761 -4.289 977 HH12 ARG 65 HH12 ARG 65 -3.785 -7.395 -4.040 978 HH21 ARG 65 HH21 ARG 65 -4.211 -9.662 -1.303 979 HH22 ARG 65 HH22 ARG 65 -5.056 -8.567 -2.271 980 H LEU 66 HN LEU 66 4.566 -10.747 -2.114 981 HA LEU 66 HA LEU 66 5.919 -9.075 -3.818 982 HB2 LEU 66 HB2 LEU 66 6.188 -9.333 -1.355 983 HB3 LEU 66 HB1 LEU 66 7.101 -10.767 -1.675 984 HG LEU 66 HG LEU 66 8.891 -9.582 -2.725 985 HD11 LEU 66 HD11 LEU 66 8.839 -7.121 -2.970 986 HD12 LEU 66 HD12 LEU 66 7.150 -7.133 -2.433 987 HD13 LEU 66 HD13 LEU 66 7.600 -7.919 -3.938 988 HD21 LEU 66 HD21 LEU 66 9.638 -8.178 -0.873 989 HD22 LEU 66 HD22 LEU 66 8.864 -9.656 -0.275 990 HD23 LEU 66 HD23 LEU 66 7.988 -8.132 -0.247 991 H ARG 67 HN ARG 67 6.161 -12.534 -3.561 992 HA ARG 67 HA ARG 67 8.611 -12.715 -4.982 993 HB2 ARG 67 HB2 ARG 67 8.185 -15.130 -5.075 994 HB3 ARG 67 HB1 ARG 67 8.048 -14.457 -3.463 995 HG2 ARG 67 HG2 ARG 67 5.546 -14.389 -3.859 996 HG3 ARG 67 HG1 ARG 67 5.851 -15.384 -5.285 997 HD2 ARG 67 HD2 ARG 67 5.263 -16.733 -3.330 998 HD3 ARG 67 HD1 ARG 67 6.904 -17.079 -3.893 999 HE ARG 67 HE ARG 67 7.424 -15.253 -2.067 1000 HH11 ARG 67 HH11 ARG 67 5.137 -17.912 -1.786 1001 HH12 ARG 67 HH12 ARG 67 5.397 -18.129 -0.121 1002 HH21 ARG 67 HH21 ARG 67 7.752 -15.507 0.133 1003 HH22 ARG 67 HH22 ARG 67 6.936 -16.728 1.019 1004 H ASN 68 HN ASN 68 5.394 -12.245 -6.071 1005 HA ASN 68 HA ASN 68 6.297 -11.955 -8.718 1006 HB2 ASN 68 HB2 ASN 68 6.111 -14.519 -8.556 1007 HB3 ASN 68 HB1 ASN 68 4.369 -14.248 -8.440 1008 HD21 ASN 68 HD21 ASN 68 6.567 -12.341 -10.432 1009 HD22 ASN 68 HD22 ASN 68 5.950 -12.862 -11.927 1010 HA PRO 69 HA PRO 69 2.307 -9.962 -7.652 1011 HB2 PRO 69 HB2 PRO 69 3.282 -7.409 -7.547 1012 HB3 PRO 69 HB1 PRO 69 3.098 -8.480 -6.157 1013 HG2 PRO 69 HG2 PRO 69 5.553 -7.525 -7.347 1014 HG3 PRO 69 HG1 PRO 69 5.360 -8.576 -5.941 1015 HD2 PRO 69 HD2 PRO 69 6.041 -9.250 -8.708 1016 HD3 PRO 69 HD1 PRO 69 6.260 -10.200 -7.229 1017 H LYS 70 HN LYS 70 4.729 -8.817 -9.950 1018 HA LYS 70 HA LYS 70 4.702 -7.789 -11.920 1019 HB2 LYS 70 HB2 LYS 70 1.773 -8.543 -12.072 1020 HB3 LYS 70 HB1 LYS 70 2.615 -7.697 -13.346 1021 HG2 LYS 70 HG2 LYS 70 2.503 -9.907 -14.048 1022 HG3 LYS 70 HG1 LYS 70 4.146 -9.723 -13.459 1023 HD2 LYS 70 HD2 LYS 70 3.701 -10.947 -11.513 1024 HD3 LYS 70 HD1 LYS 70 1.956 -10.863 -11.708 1025 HE2 LYS 70 HE2 LYS 70 2.347 -12.077 -13.920 1026 HE3 LYS 70 HE1 LYS 70 3.968 -12.374 -13.302 1027 HZ1 LYS 70 HZ1 LYS 70 2.312 -14.180 -12.910 1028 HZ2 LYS 70 HZ2 LYS 70 1.524 -13.207 -11.791 1029 HZ3 LYS 70 HZ3 LYS 70 3.112 -13.690 -11.535 1030 HA PRO 71 HA PRO 71 3.221 -3.954 -9.983 1031 HB2 PRO 71 HB2 PRO 71 5.519 -2.571 -10.334 1032 HB3 PRO 71 HB1 PRO 71 5.230 -3.659 -8.964 1033 HG2 PRO 71 HG2 PRO 71 6.758 -4.164 -11.498 1034 HG3 PRO 71 HG1 PRO 71 7.193 -4.600 -9.835 1035 HD2 PRO 71 HD2 PRO 71 6.086 -6.406 -11.580 1036 HD3 PRO 71 HD1 PRO 71 5.825 -6.449 -9.831 1037 H VAL 72 HN VAL 72 2.206 -2.457 -11.052 1038 HA VAL 72 HA VAL 72 2.861 -1.883 -13.851 1039 HB VAL 72 HB VAL 72 0.214 -1.511 -12.415 1040 HG11 VAL 72 HG11 VAL 72 0.520 0.010 -14.285 1041 HG12 VAL 72 HG12 VAL 72 -0.716 -1.192 -14.653 1042 HG13 VAL 72 HG13 VAL 72 0.899 -1.346 -15.346 1043 HG21 VAL 72 HG21 VAL 72 -0.600 -3.449 -13.660 1044 HG22 VAL 72 HG22 VAL 72 0.750 -3.895 -12.613 1045 HG23 VAL 72 HG23 VAL 72 1.005 -3.695 -14.347 1046 H ARG 73 HN ARG 73 3.687 0.052 -14.137 1047 HA ARG 73 HA ARG 73 3.906 1.956 -12.020 1048 HB2 ARG 73 HB2 ARG 73 5.773 1.588 -13.513 1049 HB3 ARG 73 HB1 ARG 73 4.798 2.005 -14.905 1050 HG2 ARG 73 HG2 ARG 73 6.352 3.779 -14.355 1051 HG3 ARG 73 HG1 ARG 73 4.691 4.316 -14.147 1052 HD2 ARG 73 HD2 ARG 73 6.176 5.094 -12.343 1053 HD3 ARG 73 HD1 ARG 73 4.868 4.078 -11.750 1054 HE ARG 73 HE ARG 73 6.395 2.411 -11.218 1055 HH11 ARG 73 HH11 ARG 73 8.123 5.072 -12.797 1056 HH12 ARG 73 HH12 ARG 73 9.631 4.595 -12.179 1057 HH21 ARG 73 HH21 ARG 73 8.330 1.824 -10.428 1058 HH22 ARG 73 HH22 ARG 73 9.798 2.681 -10.766 1059 H VAL 74 HN VAL 74 2.466 3.399 -11.523 1060 HA VAL 74 HA VAL 74 0.826 4.633 -13.587 1061 HB VAL 74 HB VAL 74 -1.189 4.460 -12.058 1062 HG11 VAL 74 HG11 VAL 74 -1.028 3.025 -14.005 1063 HG12 VAL 74 HG12 VAL 74 -1.762 2.147 -12.663 1064 HG13 VAL 74 HG13 VAL 74 -0.074 1.859 -13.088 1065 HG21 VAL 74 HG21 VAL 74 -1.201 2.667 -10.368 1066 HG22 VAL 74 HG22 VAL 74 -0.050 3.943 -9.980 1067 HG23 VAL 74 HG23 VAL 74 0.524 2.413 -10.646 1068 H THR 75 HN THR 75 -0.665 6.246 -12.267 1069 HA THR 75 HA THR 75 0.805 7.715 -10.235 1070 HB THR 75 HB THR 75 -0.011 9.844 -11.303 1071 HG1 THR 75 HG1 THR 75 -0.637 8.131 -13.508 1072 HG21 THR 75 HG21 THR 75 1.786 8.181 -13.066 1073 HG22 THR 75 HG22 THR 75 2.299 9.156 -11.687 1074 HG23 THR 75 HG23 THR 75 1.639 9.936 -13.126 1075 H LEU 76 HN LEU 76 -0.936 9.394 -9.261 1076 HA LEU 76 HA LEU 76 -3.149 7.695 -8.454 1077 HB2 LEU 76 HB2 LEU 76 -2.256 10.419 -7.568 1078 HB3 LEU 76 HB1 LEU 76 -3.622 9.558 -6.871 1079 HG LEU 76 HG LEU 76 -0.833 8.515 -6.917 1080 HD11 LEU 76 HD11 LEU 76 -2.318 9.970 -4.712 1081 HD12 LEU 76 HD12 LEU 76 -0.929 10.593 -5.609 1082 HD13 LEU 76 HD13 LEU 76 -0.739 9.206 -4.537 1083 HD21 LEU 76 HD21 LEU 76 -2.497 6.801 -6.638 1084 HD22 LEU 76 HD22 LEU 76 -3.264 7.702 -5.325 1085 HD23 LEU 76 HD23 LEU 76 -1.638 7.043 -5.126 1086 H ASP 77 HN ASP 77 -2.569 10.383 -10.456 1087 HA ASP 77 HA ASP 77 -5.193 11.467 -10.540 1088 HB2 ASP 77 HB2 ASP 77 -3.139 12.698 -11.244 1089 HB3 ASP 77 HB1 ASP 77 -3.035 11.644 -12.651 1090 H GLU 78 HN GLU 78 -3.583 8.886 -12.225 1091 HA GLU 78 HA GLU 78 -5.702 8.716 -14.187 1092 HB2 GLU 78 HB2 GLU 78 -4.403 6.923 -15.199 1093 HB3 GLU 78 HB1 GLU 78 -3.407 8.344 -14.930 1094 HG2 GLU 78 HG2 GLU 78 -2.507 7.270 -12.893 1095 HG3 GLU 78 HG1 GLU 78 -3.439 5.827 -13.284 1096 H LEU 79 HN LEU 79 -5.152 7.507 -11.065 1097 HA LEU 79 HA LEU 79 -6.493 5.005 -11.438 1098 HB2 LEU 79 HB2 LEU 79 -6.010 6.550 -8.891 1099 HB3 LEU 79 HB1 LEU 79 -6.553 4.889 -8.987 1100 HG LEU 79 HG LEU 79 -3.849 5.974 -9.731 1101 HD11 LEU 79 HD11 LEU 79 -4.213 5.696 -7.362 1102 HD12 LEU 79 HD12 LEU 79 -3.066 4.497 -7.965 1103 HD13 LEU 79 HD13 LEU 79 -4.728 4.029 -7.616 1104 HD21 LEU 79 HD21 LEU 79 -4.465 4.260 -11.350 1105 HD22 LEU 79 HD22 LEU 79 -4.890 3.158 -10.037 1106 HD23 LEU 79 HD23 LEU 79 -3.216 3.662 -10.256 Start of MODEL 2 1 H MET 1 H MET 1 5.148 15.462 -7.048 2 HA MET 1 HA MET 1 5.021 13.291 -5.054 3 HB2 MET 1 HB2 MET 1 4.926 13.185 -8.069 4 HB3 MET 1 HB1 MET 1 5.371 11.814 -7.083 5 HG2 MET 1 HG2 MET 1 3.083 11.633 -7.802 6 HG3 MET 1 HG1 MET 1 3.165 11.820 -6.057 7 HE1 MET 1 HE1 MET 1 0.547 12.213 -6.186 8 HE2 MET 1 HE2 MET 1 0.548 12.154 -7.945 9 HE3 MET 1 HE3 MET 1 -0.223 13.503 -7.109 10 H ALA 2 HN ALA 2 6.912 12.069 -4.896 11 HA ALA 2 HA ALA 2 9.253 13.115 -6.320 12 HB1 ALA 2 HB1 ALA 2 9.361 13.751 -3.935 13 HB2 ALA 2 HB2 ALA 2 10.612 12.576 -4.335 14 HB3 ALA 2 HB3 ALA 2 9.161 12.056 -3.481 15 H TYR 3 HN TYR 3 7.591 10.414 -4.838 16 HA TYR 3 HA TYR 3 9.270 8.502 -6.197 17 HB2 TYR 3 HB2 TYR 3 7.085 8.261 -4.150 18 HB3 TYR 3 HB1 TYR 3 7.738 6.850 -4.952 19 HD1 TYR 3 HD2 TYR 3 8.638 9.734 -2.783 20 HD2 TYR 3 HD1 TYR 3 9.738 5.847 -4.110 21 HE1 TYR 3 HE2 TYR 3 10.378 9.648 -1.059 22 HE2 TYR 3 HE1 TYR 3 11.494 5.750 -2.389 23 HH TYR 3 HH TYR 3 12.794 7.147 -0.917 24 H PHE 4 HN PHE 4 8.188 6.744 -7.438 25 HA PHE 4 HA PHE 4 5.860 7.725 -8.898 26 HB2 PHE 4 HB2 PHE 4 7.610 5.310 -9.439 27 HB3 PHE 4 HB1 PHE 4 6.351 5.929 -10.497 28 HD1 PHE 4 HD1 PHE 4 6.680 8.174 -11.558 29 HD2 PHE 4 HD2 PHE 4 9.771 6.121 -9.517 30 HE1 PHE 4 HE1 PHE 4 8.348 9.580 -12.679 31 HE2 PHE 4 HE2 PHE 4 11.442 7.487 -10.605 32 HZ PHE 4 HZ PHE 4 10.739 9.250 -12.212 33 H LEU 5 HN LEU 5 4.217 5.852 -9.401 34 HA LEU 5 HA LEU 5 3.822 4.498 -6.853 35 HB2 LEU 5 HB2 LEU 5 2.275 6.342 -7.201 36 HB3 LEU 5 HB1 LEU 5 1.898 5.750 -8.798 37 HG LEU 5 HG LEU 5 0.827 3.791 -7.808 38 HD11 LEU 5 HD11 LEU 5 0.307 3.791 -5.398 39 HD12 LEU 5 HD12 LEU 5 1.308 5.227 -5.182 40 HD13 LEU 5 HD13 LEU 5 2.043 3.700 -5.676 41 HD21 LEU 5 HD21 LEU 5 -0.152 6.475 -6.906 42 HD22 LEU 5 HD22 LEU 5 -1.131 5.019 -6.948 43 HD23 LEU 5 HD23 LEU 5 -0.487 5.694 -8.447 44 H ASP 6 HN ASP 6 3.286 2.413 -6.928 45 HA ASP 6 HA ASP 6 2.726 1.159 -9.517 46 HB2 ASP 6 HB2 ASP 6 5.026 0.380 -7.739 47 HB3 ASP 6 HB1 ASP 6 4.264 -0.782 -8.804 48 H PHE 7 HN PHE 7 1.666 -0.750 -9.386 49 HA PHE 7 HA PHE 7 0.838 -1.626 -6.722 50 HB2 PHE 7 HB2 PHE 7 -0.912 -0.938 -9.038 51 HB3 PHE 7 HB1 PHE 7 -1.424 -2.202 -7.941 52 HD1 PHE 7 HD2 PHE 7 -0.561 1.377 -8.197 53 HD2 PHE 7 HD1 PHE 7 -2.365 -1.663 -5.852 54 HE1 PHE 7 HE2 PHE 7 -1.543 3.088 -6.739 55 HE2 PHE 7 HE1 PHE 7 -3.358 0.045 -4.389 56 HZ PHE 7 HZ PHE 7 -2.947 2.426 -4.832 57 H ASP 8 HN ASP 8 0.730 -3.696 -6.433 58 HA ASP 8 HA ASP 8 1.750 -5.612 -8.211 59 HB2 ASP 8 HB2 ASP 8 1.923 -6.212 -5.970 60 HB3 ASP 8 HB1 ASP 8 0.332 -5.600 -5.575 61 H GLU 9 HN GLU 9 0.703 -7.160 -9.411 62 HA GLU 9 HA GLU 9 -1.458 -6.615 -10.945 63 HB2 GLU 9 HB2 GLU 9 -0.124 -9.126 -10.157 64 HB3 GLU 9 HB1 GLU 9 -1.638 -9.237 -11.037 65 HG2 GLU 9 HG2 GLU 9 0.701 -7.615 -12.002 66 HG3 GLU 9 HG1 GLU 9 0.457 -9.313 -12.422 67 H ARG 10 HN ARG 10 -1.596 -8.204 -7.760 68 HA ARG 10 HA ARG 10 -4.400 -8.848 -8.134 69 HB2 ARG 10 HB2 ARG 10 -2.787 -9.032 -5.567 70 HB3 ARG 10 HB1 ARG 10 -4.375 -9.705 -5.830 71 HG2 ARG 10 HG2 ARG 10 -2.894 -11.531 -5.878 72 HG3 ARG 10 HG1 ARG 10 -3.269 -11.206 -7.571 73 HD2 ARG 10 HD2 ARG 10 -1.178 -10.055 -7.864 74 HD3 ARG 10 HD1 ARG 10 -0.818 -10.179 -6.148 75 HE ARG 10 HE ARG 10 -1.190 -12.741 -7.202 76 HH11 ARG 10 HH11 ARG 10 1.180 -10.052 -7.260 77 HH12 ARG 10 HH12 ARG 10 2.465 -11.089 -7.676 78 HH21 ARG 10 HH21 ARG 10 0.635 -14.073 -7.699 79 HH22 ARG 10 HH22 ARG 10 2.184 -13.379 -7.936 80 H ALA 11 HN ALA 11 -2.366 -6.635 -6.364 81 HA ALA 11 HA ALA 11 -4.243 -5.295 -4.806 82 HB1 ALA 11 HB1 ALA 11 -2.635 -3.476 -4.652 83 HB2 ALA 11 HB2 ALA 11 -1.768 -4.103 -6.056 84 HB3 ALA 11 HB3 ALA 11 -1.812 -5.032 -4.559 85 H LEU 12 HN LEU 12 -3.482 -4.892 -8.171 86 HA LEU 12 HA LEU 12 -4.847 -2.511 -8.858 87 HB2 LEU 12 HB2 LEU 12 -4.743 -5.093 -10.394 88 HB3 LEU 12 HB1 LEU 12 -5.175 -3.537 -11.071 89 HG LEU 12 HG LEU 12 -2.438 -4.317 -10.034 90 HD11 LEU 12 HD11 LEU 12 -3.463 -4.041 -12.856 91 HD12 LEU 12 HD12 LEU 12 -3.092 -5.557 -12.041 92 HD13 LEU 12 HD13 LEU 12 -1.803 -4.403 -12.381 93 HD21 LEU 12 HD21 LEU 12 -3.356 -1.895 -11.586 94 HD22 LEU 12 HD22 LEU 12 -1.688 -2.285 -11.163 95 HD23 LEU 12 HD23 LEU 12 -2.854 -1.915 -9.894 96 H LYS 13 HN LYS 13 -6.035 -5.777 -8.599 97 HA LYS 13 HA LYS 13 -8.687 -5.092 -9.443 98 HB2 LYS 13 HB2 LYS 13 -7.941 -7.608 -7.975 99 HB3 LYS 13 HB1 LYS 13 -9.148 -7.397 -9.233 100 HG2 LYS 13 HG2 LYS 13 -6.147 -7.437 -9.578 101 HG3 LYS 13 HG1 LYS 13 -7.291 -8.665 -10.101 102 HD2 LYS 13 HD2 LYS 13 -8.188 -7.218 -11.781 103 HD3 LYS 13 HD1 LYS 13 -7.314 -5.829 -11.127 104 HE2 LYS 13 HE2 LYS 13 -5.205 -6.858 -11.677 105 HE3 LYS 13 HE1 LYS 13 -6.024 -8.284 -12.319 106 HZ1 LYS 13 HZ1 LYS 13 -5.396 -6.834 -14.121 107 HZ2 LYS 13 HZ2 LYS 13 -6.124 -5.511 -13.392 108 HZ3 LYS 13 HZ3 LYS 13 -7.064 -6.761 -13.980 109 H GLU 14 HN GLU 14 -6.900 -5.412 -6.543 110 HA GLU 14 HA GLU 14 -8.942 -5.679 -4.712 111 HB2 GLU 14 HB2 GLU 14 -6.182 -4.652 -4.476 112 HB3 GLU 14 HB1 GLU 14 -7.240 -4.792 -3.071 113 HG2 GLU 14 HG2 GLU 14 -6.299 -7.025 -4.891 114 HG3 GLU 14 HG1 GLU 14 -5.827 -6.765 -3.214 115 H TRP 15 HN TRP 15 -7.417 -2.619 -5.864 116 HA TRP 15 HA TRP 15 -9.068 -1.183 -4.031 117 HB2 TRP 15 HB2 TRP 15 -8.300 0.900 -4.915 118 HB3 TRP 15 HB1 TRP 15 -6.929 -0.177 -5.068 119 HD1 TRP 15 HD1 TRP 15 -9.740 1.313 -7.322 120 HE1 TRP 15 HE1 TRP 15 -8.769 1.671 -9.685 121 HE3 TRP 15 HE3 TRP 15 -5.087 -0.643 -6.612 122 HZ2 TRP 15 HZ2 TRP 15 -6.387 1.222 -11.036 123 HZ3 TRP 15 HZ3 TRP 15 -3.520 -0.613 -8.486 124 HH2 TRP 15 HH2 TRP 15 -4.153 0.292 -10.658 125 H ARG 16 HN ARG 16 -9.483 -2.446 -7.140 126 HA ARG 16 HA ARG 16 -11.743 -0.848 -7.816 127 HB2 ARG 16 HB2 ARG 16 -10.828 -3.432 -9.061 128 HB3 ARG 16 HB1 ARG 16 -11.910 -2.244 -9.785 129 HG2 ARG 16 HG2 ARG 16 -10.053 -0.574 -9.634 130 HG3 ARG 16 HG1 ARG 16 -9.026 -1.867 -9.068 131 HD2 ARG 16 HD2 ARG 16 -8.659 -1.449 -11.363 132 HD3 ARG 16 HD1 ARG 16 -9.326 -3.063 -11.171 133 HE ARG 16 HE ARG 16 -11.489 -2.074 -11.876 134 HH11 ARG 16 HH11 ARG 16 -8.473 -0.431 -12.786 135 HH12 ARG 16 HH12 ARG 16 -9.189 0.488 -14.028 136 HH21 ARG 16 HH21 ARG 16 -12.430 -0.833 -13.619 137 HH22 ARG 16 HH22 ARG 16 -11.477 0.274 -14.512 138 H LYS 17 HN LYS 17 -11.343 -3.700 -5.959 139 HA LYS 17 HA LYS 17 -14.172 -4.372 -6.190 140 HB2 LYS 17 HB2 LYS 17 -13.579 -6.449 -4.893 141 HB3 LYS 17 HB1 LYS 17 -12.762 -6.298 -6.436 142 HG2 LYS 17 HG2 LYS 17 -11.089 -7.069 -5.000 143 HG3 LYS 17 HG1 LYS 17 -10.819 -5.334 -5.115 144 HD2 LYS 17 HD2 LYS 17 -10.573 -5.682 -2.835 145 HD3 LYS 17 HD1 LYS 17 -12.274 -5.240 -2.941 146 HE2 LYS 17 HE2 LYS 17 -12.132 -7.123 -1.514 147 HE3 LYS 17 HE1 LYS 17 -12.796 -7.693 -3.043 148 HZ1 LYS 17 HZ1 LYS 17 -11.110 -9.230 -2.329 149 HZ2 LYS 17 HZ2 LYS 17 -9.988 -7.994 -2.112 150 HZ3 LYS 17 HZ3 LYS 17 -10.455 -8.385 -3.639 151 H LEU 18 HN LEU 18 -12.354 -2.420 -4.254 152 HA LEU 18 HA LEU 18 -13.962 -3.080 -1.940 153 HB2 LEU 18 HB2 LEU 18 -12.414 -1.621 -0.614 154 HB3 LEU 18 HB1 LEU 18 -11.761 -3.098 -1.270 155 HG LEU 18 HG LEU 18 -10.732 -1.708 -3.091 156 HD11 LEU 18 HD11 LEU 18 -12.073 0.313 -2.880 157 HD12 LEU 18 HD12 LEU 18 -10.359 0.660 -2.660 158 HD13 LEU 18 HD13 LEU 18 -11.429 0.573 -1.259 159 HD21 LEU 18 HD21 LEU 18 -9.889 -1.232 -0.252 160 HD22 LEU 18 HD22 LEU 18 -8.887 -0.974 -1.686 161 HD23 LEU 18 HD23 LEU 18 -9.446 -2.595 -1.284 162 H GLY 19 HN GLY 19 -13.633 -0.398 -4.140 163 HA2 GLY 19 HA2 GLY 19 -16.013 0.581 -4.098 164 HA3 GLY 19 HA1 GLY 19 -15.571 1.010 -2.455 165 H SER 20 HN SER 20 -16.312 2.639 -4.773 166 HA SER 20 HA SER 20 -14.091 3.922 -5.861 167 HB2 SER 20 HB2 SER 20 -16.950 4.840 -5.605 168 HB3 SER 20 HB1 SER 20 -15.741 5.524 -6.694 169 HG SER 20 HG SER 20 -16.115 3.998 -8.009 170 H THR 21 HN THR 21 -16.145 4.807 -3.048 171 HA THR 21 HA THR 21 -14.726 7.273 -2.696 172 HB THR 21 HB THR 21 -16.444 5.880 -0.636 173 HG1 THR 21 HG1 THR 21 -18.184 6.755 -1.643 174 HG21 THR 21 HG21 THR 21 -15.864 8.797 -1.185 175 HG22 THR 21 HG22 THR 21 -15.177 7.847 0.132 176 HG23 THR 21 HG23 THR 21 -16.912 8.170 0.087 177 H VAL 22 HN VAL 22 -14.458 4.035 -1.533 178 HA VAL 22 HA VAL 22 -12.684 4.558 0.607 179 HB VAL 22 HB VAL 22 -13.063 1.977 -0.952 180 HG11 VAL 22 HG11 VAL 22 -12.099 0.881 1.002 181 HG12 VAL 22 HG12 VAL 22 -11.859 2.452 1.764 182 HG13 VAL 22 HG13 VAL 22 -10.962 2.038 0.305 183 HG21 VAL 22 HG21 VAL 22 -14.327 2.906 1.625 184 HG22 VAL 22 HG22 VAL 22 -14.512 1.308 0.914 185 HG23 VAL 22 HG23 VAL 22 -15.151 2.725 0.072 186 H ARG 23 HN ARG 23 -12.208 3.629 -2.813 187 HA ARG 23 HA ARG 23 -9.420 3.399 -2.625 188 HB2 ARG 23 HB2 ARG 23 -9.326 3.386 -5.016 189 HB3 ARG 23 HB1 ARG 23 -10.796 2.533 -4.563 190 HG2 ARG 23 HG2 ARG 23 -12.106 4.502 -5.098 191 HG3 ARG 23 HG1 ARG 23 -10.636 5.388 -5.480 192 HD2 ARG 23 HD2 ARG 23 -10.184 3.623 -7.228 193 HD3 ARG 23 HD1 ARG 23 -11.835 3.057 -6.946 194 HE ARG 23 HE ARG 23 -12.188 5.673 -7.336 195 HH11 ARG 23 HH11 ARG 23 -10.757 3.131 -9.297 196 HH12 ARG 23 HH12 ARG 23 -10.727 4.036 -10.730 197 HH21 ARG 23 HH21 ARG 23 -12.183 6.932 -9.292 198 HH22 ARG 23 HH22 ARG 23 -11.562 6.255 -10.730 199 H GLU 24 HN GLU 24 -11.475 6.199 -3.116 200 HA GLU 24 HA GLU 24 -9.462 7.998 -3.921 201 HB2 GLU 24 HB2 GLU 24 -12.092 8.453 -2.535 202 HB3 GLU 24 HB1 GLU 24 -11.045 9.758 -3.064 203 HG2 GLU 24 HG2 GLU 24 -12.214 7.655 -4.848 204 HG3 GLU 24 HG1 GLU 24 -12.892 9.270 -4.628 205 H GLN 25 HN GLN 25 -10.694 7.078 -0.758 206 HA GLN 25 HA GLN 25 -9.246 8.923 0.784 207 HB2 GLN 25 HB2 GLN 25 -10.186 6.138 1.486 208 HB3 GLN 25 HB1 GLN 25 -9.508 7.265 2.645 209 HG2 GLN 25 HG2 GLN 25 -11.370 8.829 2.144 210 HG3 GLN 25 HG1 GLN 25 -12.033 7.600 1.060 211 HE21 GLN 25 HE21 GLN 25 -13.060 5.871 1.884 212 HE22 GLN 25 HE22 GLN 25 -13.465 5.715 3.563 213 H LEU 26 HN LEU 26 -8.425 5.793 -0.476 214 HA LEU 26 HA LEU 26 -5.922 5.485 0.810 215 HB2 LEU 26 HB2 LEU 26 -6.912 4.330 -1.794 216 HB3 LEU 26 HB1 LEU 26 -5.519 3.766 -0.894 217 HG LEU 26 HG LEU 26 -8.360 3.673 0.122 218 HD11 LEU 26 HD11 LEU 26 -6.632 1.485 -0.999 219 HD12 LEU 26 HD12 LEU 26 -8.035 2.193 -1.792 220 HD13 LEU 26 HD13 LEU 26 -8.233 1.283 -0.296 221 HD21 LEU 26 HD21 LEU 26 -5.801 2.473 1.180 222 HD22 LEU 26 HD22 LEU 26 -7.414 2.175 1.828 223 HD23 LEU 26 HD23 LEU 26 -6.713 3.790 1.917 224 H LYS 27 HN LYS 27 -6.920 6.777 -2.299 225 HA LYS 27 HA LYS 27 -4.390 7.272 -3.413 226 HB2 LYS 27 HB2 LYS 27 -7.090 8.506 -3.909 227 HB3 LYS 27 HB1 LYS 27 -5.660 8.924 -4.840 228 HG2 LYS 27 HG2 LYS 27 -5.484 6.741 -5.737 229 HG3 LYS 27 HG1 LYS 27 -6.662 6.106 -4.591 230 HD2 LYS 27 HD2 LYS 27 -7.575 6.417 -6.885 231 HD3 LYS 27 HD1 LYS 27 -8.447 7.326 -5.660 232 HE2 LYS 27 HE2 LYS 27 -7.215 9.356 -6.309 233 HE3 LYS 27 HE1 LYS 27 -6.355 8.431 -7.541 234 HZ1 LYS 27 HZ1 LYS 27 -9.299 8.718 -7.443 235 HZ2 LYS 27 HZ2 LYS 27 -8.362 8.079 -8.723 236 HZ3 LYS 27 HZ3 LYS 27 -8.283 9.728 -8.342 237 H LYS 28 HN LYS 28 -6.338 9.126 -1.207 238 HA LYS 28 HA LYS 28 -4.890 11.558 -1.438 239 HB2 LYS 28 HB2 LYS 28 -6.468 10.540 0.926 240 HB3 LYS 28 HB1 LYS 28 -5.943 12.194 0.672 241 HG2 LYS 28 HG2 LYS 28 -7.987 10.663 -0.933 242 HG3 LYS 28 HG1 LYS 28 -8.273 12.016 0.153 243 HD2 LYS 28 HD2 LYS 28 -6.772 12.086 -2.466 244 HD3 LYS 28 HD1 LYS 28 -8.369 12.753 -2.158 245 HE2 LYS 28 HE2 LYS 28 -5.769 13.662 -0.932 246 HE3 LYS 28 HE1 LYS 28 -6.692 14.508 -2.162 247 HZ1 LYS 28 HZ1 LYS 28 -8.501 14.784 -0.554 248 HZ2 LYS 28 HZ2 LYS 28 -7.049 15.435 0.028 249 HZ3 LYS 28 HZ3 LYS 28 -7.597 13.980 0.625 250 H LYS 29 HN LYS 29 -4.615 8.757 0.688 251 HA LYS 29 HA LYS 29 -2.509 9.936 2.178 252 HB2 LYS 29 HB2 LYS 29 -3.473 7.092 2.023 253 HB3 LYS 29 HB1 LYS 29 -2.424 7.767 3.277 254 HG2 LYS 29 HG2 LYS 29 -4.136 9.331 3.918 255 HG3 LYS 29 HG1 LYS 29 -5.183 8.746 2.637 256 HD2 LYS 29 HD2 LYS 29 -5.225 6.589 3.659 257 HD3 LYS 29 HD1 LYS 29 -4.220 7.174 5.006 258 HE2 LYS 29 HE2 LYS 29 -6.941 8.160 4.180 259 HE3 LYS 29 HE1 LYS 29 -6.583 7.237 5.642 260 HZ1 LYS 29 HZ1 LYS 29 -5.248 9.156 6.434 261 HZ2 LYS 29 HZ2 LYS 29 -6.817 9.620 6.099 262 HZ3 LYS 29 HZ3 LYS 29 -5.609 9.991 5.030 263 H LEU 30 HN LEU 30 -2.768 8.146 -0.679 264 HA LEU 30 HA LEU 30 -0.062 7.314 -0.761 265 HB2 LEU 30 HB2 LEU 30 -2.073 7.598 -2.977 266 HB3 LEU 30 HB1 LEU 30 -0.449 6.992 -3.229 267 HG LEU 30 HG LEU 30 -2.562 5.708 -1.490 268 HD11 LEU 30 HD11 LEU 30 -1.435 4.886 -4.161 269 HD12 LEU 30 HD12 LEU 30 -3.061 5.501 -3.862 270 HD13 LEU 30 HD13 LEU 30 -2.566 3.950 -3.188 271 HD21 LEU 30 HD21 LEU 30 -0.338 5.282 -0.596 272 HD22 LEU 30 HD22 LEU 30 0.231 4.806 -2.193 273 HD23 LEU 30 HD23 LEU 30 -0.975 3.824 -1.360 274 H VAL 31 HN VAL 31 -1.720 10.225 -1.930 275 HA VAL 31 HA VAL 31 0.538 11.153 -3.356 276 HB VAL 31 HB VAL 31 -1.702 12.129 -3.833 277 HG11 VAL 31 HG11 VAL 31 -1.436 13.548 -1.207 278 HG12 VAL 31 HG12 VAL 31 -2.604 12.290 -1.606 279 HG13 VAL 31 HG13 VAL 31 -2.674 13.851 -2.425 280 HG21 VAL 31 HG21 VAL 31 0.302 14.205 -2.976 281 HG22 VAL 31 HG22 VAL 31 -1.042 14.470 -4.089 282 HG23 VAL 31 HG23 VAL 31 0.272 13.380 -4.531 283 H GLU 32 HN GLU 32 -0.320 11.433 0.001 284 HA GLU 32 HA GLU 32 1.783 13.283 0.477 285 HB2 GLU 32 HB2 GLU 32 1.383 12.864 2.907 286 HB3 GLU 32 HB1 GLU 32 -0.034 13.381 2.011 287 HG2 GLU 32 HG2 GLU 32 -0.812 11.073 1.949 288 HG3 GLU 32 HG1 GLU 32 0.609 10.569 2.861 289 H VAL 33 HN VAL 33 1.621 9.748 0.633 290 HA VAL 33 HA VAL 33 4.237 9.611 1.853 291 HB VAL 33 HB VAL 33 4.134 7.282 1.829 292 HG11 VAL 33 HG11 VAL 33 1.431 8.305 1.925 293 HG12 VAL 33 HG12 VAL 33 2.579 8.244 3.285 294 HG13 VAL 33 HG13 VAL 33 1.888 6.733 2.599 295 HG21 VAL 33 HG21 VAL 33 3.694 6.853 -0.504 296 HG22 VAL 33 HG22 VAL 33 2.010 7.367 -0.313 297 HG23 VAL 33 HG23 VAL 33 2.612 5.919 0.525 298 H LEU 34 HN LEU 34 3.047 9.901 -1.221 299 HA LEU 34 HA LEU 34 5.213 8.754 -2.510 300 HB2 LEU 34 HB2 LEU 34 3.301 10.817 -3.573 301 HB3 LEU 34 HB1 LEU 34 4.621 10.232 -4.556 302 HG LEU 34 HG LEU 34 2.360 8.544 -3.456 303 HD11 LEU 34 HD11 LEU 34 3.006 9.443 -6.244 304 HD12 LEU 34 HD12 LEU 34 1.684 10.078 -5.253 305 HD13 LEU 34 HD13 LEU 34 1.667 8.391 -5.789 306 HD21 LEU 34 HD21 LEU 34 4.424 7.270 -3.671 307 HD22 LEU 34 HD22 LEU 34 4.612 7.844 -5.327 308 HD23 LEU 34 HD23 LEU 34 3.257 6.798 -4.904 309 H GLU 35 HN GLU 35 5.130 11.661 -0.775 310 HA GLU 35 HA GLU 35 7.710 12.280 -1.889 311 HB2 GLU 35 HB2 GLU 35 5.659 14.035 -0.613 312 HB3 GLU 35 HB1 GLU 35 7.340 14.524 -0.797 313 HG2 GLU 35 HG2 GLU 35 7.136 14.069 -3.241 314 HG3 GLU 35 HG1 GLU 35 5.430 13.742 -2.982 315 H SER 36 HN SER 36 6.208 10.901 0.770 316 HA SER 36 HA SER 36 8.664 10.679 2.158 317 HB2 SER 36 HB2 SER 36 7.854 12.929 2.955 318 HB3 SER 36 HB1 SER 36 6.393 12.151 3.545 319 HG SER 36 HG SER 36 7.732 12.325 5.234 320 HA PRO 37 HA PRO 37 5.734 7.227 2.827 321 HB2 PRO 37 HB2 PRO 37 6.977 5.324 1.524 322 HB3 PRO 37 HB1 PRO 37 6.135 6.609 0.652 323 HG2 PRO 37 HG2 PRO 37 9.056 6.210 1.061 324 HG3 PRO 37 HG1 PRO 37 8.202 6.920 -0.316 325 HD2 PRO 37 HD2 PRO 37 9.457 8.325 1.808 326 HD3 PRO 37 HD1 PRO 37 8.417 8.999 0.549 327 H ARG 38 HN ARG 38 8.761 7.811 4.125 328 HA ARG 38 HA ARG 38 9.015 5.124 5.222 329 HB2 ARG 38 HB2 ARG 38 10.782 7.524 5.758 330 HB3 ARG 38 HB1 ARG 38 11.122 5.855 6.183 331 HG2 ARG 38 HG2 ARG 38 11.272 5.268 3.822 332 HG3 ARG 38 HG1 ARG 38 10.895 6.935 3.381 333 HD2 ARG 38 HD2 ARG 38 12.900 7.653 4.663 334 HD3 ARG 38 HD1 ARG 38 13.304 5.955 4.897 335 HE ARG 38 HE ARG 38 13.013 6.293 2.180 336 HH11 ARG 38 HH11 ARG 38 15.094 7.634 4.703 337 HH12 ARG 38 HH12 ARG 38 16.421 7.899 3.662 338 HH21 ARG 38 HH21 ARG 38 14.806 6.695 0.742 339 HH22 ARG 38 HH22 ARG 38 16.241 7.387 1.357 340 H ILE 39 HN ILE 39 7.046 5.230 6.338 341 HA ILE 39 HA ILE 39 7.016 7.028 8.671 342 HB ILE 39 HB ILE 39 4.692 5.322 7.741 343 HG12 ILE 39 HG12 ILE 39 5.306 8.191 6.882 344 HG13 ILE 39 HG11 ILE 39 5.360 6.786 5.834 345 HG21 ILE 39 HG21 ILE 39 3.386 6.998 8.993 346 HG22 ILE 39 HG22 ILE 39 4.874 7.856 9.394 347 HG23 ILE 39 HG23 ILE 39 4.597 6.228 10.020 348 HD11 ILE 39 HD11 ILE 39 2.977 6.464 6.114 349 HD12 ILE 39 HD12 ILE 39 3.364 8.068 5.482 350 HD13 ILE 39 HD13 ILE 39 2.906 7.875 7.175 351 H GLU 40 HN GLU 40 8.302 6.121 9.982 352 HA GLU 40 HA GLU 40 8.786 3.500 10.596 353 HB2 GLU 40 HB2 GLU 40 10.377 4.698 11.575 354 HB3 GLU 40 HB1 GLU 40 9.383 6.127 11.573 355 HG2 GLU 40 HG2 GLU 40 10.052 5.814 13.765 356 HG3 GLU 40 HG1 GLU 40 8.373 5.281 13.672 357 H ALA 41 HN ALA 41 6.245 5.535 11.896 358 HA ALA 41 HA ALA 41 5.433 3.842 14.009 359 HB1 ALA 41 HB1 ALA 41 3.747 5.791 12.442 360 HB2 ALA 41 HB2 ALA 41 4.725 6.186 13.853 361 HB3 ALA 41 HB3 ALA 41 3.345 5.104 14.015 362 H ASN 42 HN ASN 42 4.875 3.693 10.586 363 HA ASN 42 HA ASN 42 2.724 1.745 10.909 364 HB2 ASN 42 HB2 ASN 42 3.707 3.307 8.535 365 HB3 ASN 42 HB1 ASN 42 2.427 2.104 8.474 366 HD21 ASN 42 HD21 ASN 42 2.480 4.951 7.938 367 HD22 ASN 42 HD22 ASN 42 1.225 5.665 8.886 368 H LYS 43 HN LYS 43 5.949 1.515 10.927 369 HA LYS 43 HA LYS 43 6.559 -0.098 8.687 370 HB2 LYS 43 HB2 LYS 43 8.682 -0.552 9.724 371 HB3 LYS 43 HB1 LYS 43 8.236 1.106 10.093 372 HG2 LYS 43 HG2 LYS 43 7.478 0.366 12.330 373 HG3 LYS 43 HG1 LYS 43 8.094 -1.249 11.960 374 HD2 LYS 43 HD2 LYS 43 10.342 -0.309 11.640 375 HD3 LYS 43 HD1 LYS 43 9.718 1.298 12.002 376 HE2 LYS 43 HE2 LYS 43 9.017 0.456 14.233 377 HE3 LYS 43 HE1 LYS 43 9.831 -1.067 13.871 378 HZ1 LYS 43 HZ1 LYS 43 11.909 0.187 13.637 379 HZ2 LYS 43 HZ2 LYS 43 11.230 0.400 15.173 380 HZ3 LYS 43 HZ3 LYS 43 11.081 1.616 14.017 381 H LEU 44 HN LEU 44 6.690 -2.236 8.371 382 HA LEU 44 HA LEU 44 4.819 -3.803 9.855 383 HB2 LEU 44 HB2 LEU 44 5.047 -3.873 7.368 384 HB3 LEU 44 HB1 LEU 44 6.629 -4.589 7.564 385 HG LEU 44 HG LEU 44 5.583 -6.571 8.614 386 HD11 LEU 44 HD11 LEU 44 3.167 -6.862 8.486 387 HD12 LEU 44 HD12 LEU 44 2.992 -5.209 7.906 388 HD13 LEU 44 HD13 LEU 44 3.592 -5.515 9.537 389 HD21 LEU 44 HD21 LEU 44 4.526 -7.451 6.578 390 HD22 LEU 44 HD22 LEU 44 6.029 -6.606 6.232 391 HD23 LEU 44 HD23 LEU 44 4.482 -5.820 5.906 392 H ARG 45 HN ARG 45 5.347 -5.866 10.771 393 HA ARG 45 HA ARG 45 7.297 -5.612 12.747 394 HB2 ARG 45 HB2 ARG 45 5.226 -6.876 12.993 395 HB3 ARG 45 HB1 ARG 45 5.825 -8.090 11.876 396 HG2 ARG 45 HG2 ARG 45 5.989 -8.820 14.203 397 HG3 ARG 45 HG1 ARG 45 7.583 -8.680 13.452 398 HD2 ARG 45 HD2 ARG 45 8.040 -6.652 14.593 399 HD3 ARG 45 HD1 ARG 45 6.354 -6.480 15.081 400 HE ARG 45 HE ARG 45 7.101 -8.799 16.189 401 HH11 ARG 45 HH11 ARG 45 8.551 -5.528 16.368 402 HH12 ARG 45 HH12 ARG 45 9.003 -5.674 17.981 403 HH21 ARG 45 HH21 ARG 45 7.755 -8.985 18.400 404 HH22 ARG 45 HH22 ARG 45 8.560 -7.698 19.176 405 H GLY 46 HN GLY 46 7.372 -7.570 9.797 406 HA2 GLY 46 HA2 GLY 46 10.161 -8.246 10.489 407 HA3 GLY 46 HA1 GLY 46 9.112 -9.285 9.542 408 H MET 47 HN MET 47 8.736 -6.025 8.747 409 HA MET 47 HA MET 47 10.748 -6.099 6.635 410 HB2 MET 47 HB2 MET 47 7.805 -5.630 6.091 411 HB3 MET 47 HB1 MET 47 9.091 -5.399 4.931 412 HG2 MET 47 HG2 MET 47 8.342 -8.042 6.154 413 HG3 MET 47 HG1 MET 47 7.757 -7.450 4.605 414 HE1 MET 47 HE1 MET 47 10.153 -10.320 3.568 415 HE2 MET 47 HE2 MET 47 8.544 -9.613 3.387 416 HE3 MET 47 HE3 MET 47 9.048 -10.251 4.946 417 HA PRO 48 HA PRO 48 10.321 -2.026 8.717 418 HB2 PRO 48 HB2 PRO 48 13.138 -1.779 7.878 419 HB3 PRO 48 HB1 PRO 48 12.425 -1.577 9.483 420 HG2 PRO 48 HG2 PRO 48 13.903 -3.722 8.929 421 HG3 PRO 48 HG1 PRO 48 12.440 -3.863 9.920 422 HD2 PRO 48 HD2 PRO 48 12.818 -4.483 7.011 423 HD3 PRO 48 HD1 PRO 48 12.006 -5.447 8.270 424 H ASP 49 HN ASP 49 11.051 -2.905 5.491 425 HA ASP 49 HA ASP 49 10.932 -0.099 4.607 426 HB2 ASP 49 HB2 ASP 49 11.525 -2.583 2.962 427 HB3 ASP 49 HB1 ASP 49 11.480 -0.947 2.336 428 H CYS 50 HN CYS 50 8.824 -2.342 5.426 429 HA CYS 50 HA CYS 50 6.919 -1.635 3.321 430 HB2 CYS 50 HB2 CYS 50 7.407 -4.090 3.576 431 HB3 CYS 50 HB1 CYS 50 6.862 -3.975 5.242 432 HG CYS 50 HG CYS 50 4.656 -2.887 3.002 433 H TYR 51 HN TYR 51 5.020 -0.660 4.007 434 HA TYR 51 HA TYR 51 4.737 -0.195 6.870 435 HB2 TYR 51 HB2 TYR 51 4.550 2.012 4.789 436 HB3 TYR 51 HB1 TYR 51 4.390 2.191 6.534 437 HD1 TYR 51 HD2 TYR 51 6.433 1.832 7.976 438 HD2 TYR 51 HD1 TYR 51 6.662 2.026 3.753 439 HE1 TYR 51 HE2 TYR 51 8.864 2.180 8.131 440 HE2 TYR 51 HE1 TYR 51 9.095 2.360 3.894 441 HH TYR 51 HH TYR 51 10.793 1.669 6.588 442 H LYS 52 HN LYS 52 2.573 0.437 7.426 443 HA LYS 52 HA LYS 52 0.552 -0.532 5.472 444 HB2 LYS 52 HB2 LYS 52 0.408 -0.659 8.446 445 HB3 LYS 52 HB1 LYS 52 -0.689 -1.412 7.306 446 HG2 LYS 52 HG2 LYS 52 1.025 -3.008 6.682 447 HG3 LYS 52 HG1 LYS 52 2.191 -2.200 7.739 448 HD2 LYS 52 HD2 LYS 52 -0.352 -3.596 8.598 449 HD3 LYS 52 HD1 LYS 52 1.296 -4.158 8.875 450 HE2 LYS 52 HE2 LYS 52 1.706 -2.098 10.242 451 HE3 LYS 52 HE1 LYS 52 0.018 -1.662 10.019 452 HZ1 LYS 52 HZ1 LYS 52 0.327 -2.725 12.114 453 HZ2 LYS 52 HZ2 LYS 52 1.024 -4.062 11.423 454 HZ3 LYS 52 HZ3 LYS 52 -0.627 -3.692 11.121 455 H ILE 53 HN ILE 53 -1.189 0.745 5.230 456 HA ILE 53 HA ILE 53 -1.602 2.908 7.159 457 HB ILE 53 HB ILE 53 -2.485 2.984 4.253 458 HG12 ILE 53 HG12 ILE 53 -0.025 4.277 5.480 459 HG13 ILE 53 HG11 ILE 53 -0.041 2.907 4.380 460 HG21 ILE 53 HG21 ILE 53 -3.714 4.352 5.855 461 HG22 ILE 53 HG22 ILE 53 -2.795 5.399 4.755 462 HG23 ILE 53 HG23 ILE 53 -2.217 5.083 6.404 463 HD11 ILE 53 HD11 ILE 53 -0.970 4.269 2.619 464 HD12 ILE 53 HD12 ILE 53 0.532 4.965 3.220 465 HD13 ILE 53 HD13 ILE 53 -1.017 5.672 3.691 466 H LYS 54 HN LYS 54 -3.841 3.260 7.643 467 HA LYS 54 HA LYS 54 -5.717 1.382 6.566 468 HB2 LYS 54 HB2 LYS 54 -6.399 0.663 8.863 469 HB3 LYS 54 HB1 LYS 54 -4.824 0.078 8.345 470 HG2 LYS 54 HG2 LYS 54 -3.884 2.097 9.606 471 HG3 LYS 54 HG1 LYS 54 -5.471 2.175 10.383 472 HD2 LYS 54 HD2 LYS 54 -3.628 -0.170 10.285 473 HD3 LYS 54 HD1 LYS 54 -3.816 0.914 11.659 474 HE2 LYS 54 HE2 LYS 54 -6.020 -0.825 10.496 475 HE3 LYS 54 HE1 LYS 54 -5.091 -1.233 11.930 476 HZ1 LYS 54 HZ1 LYS 54 -6.937 1.086 11.634 477 HZ2 LYS 54 HZ2 LYS 54 -5.970 0.769 12.992 478 HZ3 LYS 54 HZ3 LYS 54 -7.174 -0.296 12.557 479 H LEU 55 HN LEU 55 -7.506 2.329 6.222 480 HA LEU 55 HA LEU 55 -8.023 5.014 6.846 481 HB2 LEU 55 HB2 LEU 55 -9.866 2.818 5.947 482 HB3 LEU 55 HB1 LEU 55 -10.243 4.529 5.877 483 HG LEU 55 HG LEU 55 -8.155 3.063 4.267 484 HD11 LEU 55 HD11 LEU 55 -9.549 3.610 2.373 485 HD12 LEU 55 HD12 LEU 55 -10.700 4.428 3.426 486 HD13 LEU 55 HD13 LEU 55 -10.461 2.687 3.567 487 HD21 LEU 55 HD21 LEU 55 -7.334 5.265 4.781 488 HD22 LEU 55 HD22 LEU 55 -8.877 5.982 4.323 489 HD23 LEU 55 HD23 LEU 55 -7.862 5.222 3.095 490 H ARG 56 HN ARG 56 -8.503 5.699 8.767 491 HA ARG 56 HA ARG 56 -9.062 3.925 10.906 492 HB2 ARG 56 HB2 ARG 56 -9.034 6.937 10.848 493 HB3 ARG 56 HB1 ARG 56 -9.136 5.965 12.310 494 HG2 ARG 56 HG2 ARG 56 -6.944 4.993 11.829 495 HG3 ARG 56 HG1 ARG 56 -6.852 5.935 10.341 496 HD2 ARG 56 HD2 ARG 56 -6.975 8.011 11.692 497 HD3 ARG 56 HD1 ARG 56 -7.003 7.023 13.142 498 HE ARG 56 HE ARG 56 -4.789 6.266 12.604 499 HH11 ARG 56 HH11 ARG 56 -5.859 9.142 10.808 500 HH12 ARG 56 HH12 ARG 56 -4.298 9.770 10.602 501 HH21 ARG 56 HH21 ARG 56 -2.631 7.142 12.318 502 HH22 ARG 56 HH22 ARG 56 -2.420 8.597 11.452 503 H SER 57 HN SER 57 -11.113 5.656 8.787 504 HA SER 57 HA SER 57 -13.368 5.169 10.592 505 HB2 SER 57 HB2 SER 57 -12.780 7.581 10.116 506 HB3 SER 57 HB1 SER 57 -13.150 7.277 8.423 507 HG SER 57 HG SER 57 -15.266 6.791 9.017 508 H SER 58 HN SER 58 -12.136 3.304 8.710 509 HA SER 58 HA SER 58 -14.502 2.660 7.179 510 HB2 SER 58 HB2 SER 58 -13.272 4.030 5.584 511 HB3 SER 58 HB1 SER 58 -11.820 3.084 5.849 512 HG SER 58 HG SER 58 -14.170 2.406 4.482 513 H GLY 59 HN GLY 59 -11.087 1.650 7.751 514 HA2 GLY 59 HA2 GLY 59 -10.682 -0.422 8.889 515 HA3 GLY 59 HA1 GLY 59 -12.150 -1.058 8.158 516 H TYR 60 HN TYR 60 -11.195 0.396 5.606 517 HA TYR 60 HA TYR 60 -9.824 -1.879 4.553 518 HB2 TYR 60 HB2 TYR 60 -10.595 0.750 3.317 519 HB3 TYR 60 HB1 TYR 60 -9.682 -0.470 2.436 520 HD1 TYR 60 HD1 TYR 60 -12.932 0.383 3.906 521 HD2 TYR 60 HD2 TYR 60 -10.725 -2.503 1.725 522 HE1 TYR 60 HE1 TYR 60 -15.024 -0.727 3.281 523 HE2 TYR 60 HE2 TYR 60 -12.798 -3.622 1.087 524 HH TYR 60 HH TYR 60 -15.034 -3.827 1.876 525 H ARG 61 HN ARG 61 -7.722 -2.009 3.840 526 HA ARG 61 HA ARG 61 -5.945 0.009 5.023 527 HB2 ARG 61 HB2 ARG 61 -5.584 -2.982 4.940 528 HB3 ARG 61 HB1 ARG 61 -4.520 -1.813 5.715 529 HG2 ARG 61 HG2 ARG 61 -6.185 -1.278 7.343 530 HG3 ARG 61 HG1 ARG 61 -7.392 -2.235 6.489 531 HD2 ARG 61 HD2 ARG 61 -6.099 -4.208 6.877 532 HD3 ARG 61 HD1 ARG 61 -4.896 -3.286 7.791 533 HE ARG 61 HE ARG 61 -7.741 -3.428 8.600 534 HH11 ARG 61 HH11 ARG 61 -4.314 -3.653 9.530 535 HH12 ARG 61 HH12 ARG 61 -4.633 -3.911 11.157 536 HH21 ARG 61 HH21 ARG 61 -8.169 -3.757 10.834 537 HH22 ARG 61 HH22 ARG 61 -6.900 -3.960 11.955 538 H LEU 62 HN LEU 62 -3.750 -0.155 4.069 539 HA LEU 62 HA LEU 62 -3.574 -1.365 1.464 540 HB2 LEU 62 HB2 LEU 62 -4.479 0.892 1.055 541 HB3 LEU 62 HB1 LEU 62 -3.181 1.595 1.982 542 HG LEU 62 HG LEU 62 -2.627 0.067 -0.569 543 HD11 LEU 62 HD11 LEU 62 -4.283 1.796 -1.082 544 HD12 LEU 62 HD12 LEU 62 -2.704 2.200 -1.754 545 HD13 LEU 62 HD13 LEU 62 -3.268 3.001 -0.287 546 HD21 LEU 62 HD21 LEU 62 -0.702 0.615 0.868 547 HD22 LEU 62 HD22 LEU 62 -1.163 2.316 0.837 548 HD23 LEU 62 HD23 LEU 62 -0.649 1.516 -0.646 549 H VAL 63 HN VAL 63 -1.697 -2.325 1.386 550 HA VAL 63 HA VAL 63 0.354 -1.613 3.371 551 HB VAL 63 HB VAL 63 -0.054 -4.243 1.930 552 HG11 VAL 63 HG11 VAL 63 1.637 -3.555 4.325 553 HG12 VAL 63 HG12 VAL 63 2.208 -3.913 2.693 554 HG13 VAL 63 HG13 VAL 63 1.421 -5.170 3.644 555 HG21 VAL 63 HG21 VAL 63 -0.982 -5.107 4.041 556 HG22 VAL 63 HG22 VAL 63 -1.981 -3.864 3.301 557 HG23 VAL 63 HG23 VAL 63 -0.972 -3.467 4.698 558 H TYR 64 HN TYR 64 2.264 -0.919 2.509 559 HA TYR 64 HA TYR 64 2.793 -1.562 -0.289 560 HB2 TYR 64 HB2 TYR 64 3.460 0.733 -0.793 561 HB3 TYR 64 HB1 TYR 64 1.793 0.701 -0.248 562 HD1 TYR 64 HD2 TYR 64 1.279 1.444 2.116 563 HD2 TYR 64 HD1 TYR 64 5.093 2.043 0.332 564 HE1 TYR 64 HE2 TYR 64 1.815 3.139 3.816 565 HE2 TYR 64 HE1 TYR 64 5.620 3.727 2.039 566 HH TYR 64 HH TYR 64 4.509 5.196 3.602 567 H GLN 65 HN GLN 65 5.047 -0.834 -0.835 568 HA GLN 65 HA GLN 65 6.917 -1.175 1.386 569 HB2 GLN 65 HB2 GLN 65 6.667 -3.299 0.126 570 HB3 GLN 65 HB1 GLN 65 7.022 -2.429 -1.359 571 HG2 GLN 65 HG2 GLN 65 9.269 -1.868 -0.394 572 HG3 GLN 65 HG1 GLN 65 8.891 -2.939 0.953 573 HE21 GLN 65 HE21 GLN 65 7.915 -3.530 -2.317 574 HE22 GLN 65 HE22 GLN 65 8.934 -4.898 -2.596 575 H VAL 66 HN VAL 66 8.710 0.080 1.131 576 HA VAL 66 HA VAL 66 8.515 2.098 -0.971 577 HB VAL 66 HB VAL 66 10.112 2.152 1.615 578 HG11 VAL 66 HG11 VAL 66 10.509 4.512 1.114 579 HG12 VAL 66 HG12 VAL 66 9.624 4.358 -0.394 580 HG13 VAL 66 HG13 VAL 66 11.161 3.505 -0.183 581 HG21 VAL 66 HG21 VAL 66 7.744 2.263 1.993 582 HG22 VAL 66 HG22 VAL 66 7.592 3.532 0.784 583 HG23 VAL 66 HG23 VAL 66 8.465 3.849 2.289 584 H ILE 67 HN ILE 67 9.933 2.050 -2.540 585 HA ILE 67 HA ILE 67 12.386 0.474 -2.214 586 HB ILE 67 HB ILE 67 10.780 0.890 -4.762 587 HG12 ILE 67 HG12 ILE 67 11.030 -1.615 -3.073 588 HG13 ILE 67 HG11 ILE 67 9.615 -0.572 -3.112 589 HG21 ILE 67 HG21 ILE 67 12.282 -0.812 -5.717 590 HG22 ILE 67 HG22 ILE 67 13.158 -0.891 -4.192 591 HG23 ILE 67 HG23 ILE 67 13.183 0.593 -5.144 592 HD11 ILE 67 HD11 ILE 67 9.302 -1.108 -5.471 593 HD12 ILE 67 HD12 ILE 67 9.301 -2.559 -4.466 594 HD13 ILE 67 HD13 ILE 67 10.729 -2.141 -5.418 595 H ASP 68 HN ASP 68 13.886 2.025 -1.944 596 HA ASP 68 HA ASP 68 13.551 4.606 -3.123 597 HB2 ASP 68 HB2 ASP 68 15.647 3.446 -1.342 598 HB3 ASP 68 HB1 ASP 68 15.971 4.940 -2.206 599 H GLU 69 HN GLU 69 15.468 1.797 -3.901 600 HA GLU 69 HA GLU 69 17.262 3.099 -5.656 601 HB2 GLU 69 HB2 GLU 69 17.740 0.870 -6.626 602 HB3 GLU 69 HB1 GLU 69 17.779 0.867 -4.871 603 HG2 GLU 69 HG2 GLU 69 15.670 -0.220 -4.753 604 HG3 GLU 69 HG1 GLU 69 15.400 -0.007 -6.475 605 H LYS 70 HN LYS 70 14.102 1.709 -6.296 606 HA LYS 70 HA LYS 70 14.343 2.505 -9.111 607 HB2 LYS 70 HB2 LYS 70 12.315 0.728 -7.762 608 HB3 LYS 70 HB1 LYS 70 12.256 1.145 -9.465 609 HG2 LYS 70 HG2 LYS 70 14.474 0.092 -9.732 610 HG3 LYS 70 HG1 LYS 70 14.414 -0.398 -8.044 611 HD2 LYS 70 HD2 LYS 70 12.312 -1.640 -8.561 612 HD3 LYS 70 HD1 LYS 70 12.565 -1.250 -10.265 613 HE2 LYS 70 HE2 LYS 70 14.460 -2.794 -8.501 614 HE3 LYS 70 HE1 LYS 70 13.405 -3.483 -9.739 615 HZ1 LYS 70 HZ1 LYS 70 14.672 -2.271 -11.418 616 HZ2 LYS 70 HZ2 LYS 70 15.679 -3.237 -10.504 617 HZ3 LYS 70 HZ3 LYS 70 15.645 -1.588 -10.227 618 H VAL 71 HN VAL 71 13.350 3.736 -6.297 619 HA VAL 71 HA VAL 71 11.988 5.342 -5.560 620 HB VAL 71 HB VAL 71 12.018 6.259 -8.461 621 HG11 VAL 71 HG11 VAL 71 10.346 7.371 -7.267 622 HG12 VAL 71 HG12 VAL 71 11.688 8.513 -7.487 623 HG13 VAL 71 HG13 VAL 71 11.421 7.729 -5.918 624 HG21 VAL 71 HG21 VAL 71 14.271 5.947 -7.613 625 HG22 VAL 71 HG22 VAL 71 13.903 6.938 -6.205 626 HG23 VAL 71 HG23 VAL 71 13.928 7.666 -7.816 627 H VAL 72 HN VAL 72 10.377 3.746 -5.092 628 HA VAL 72 HA VAL 72 7.936 3.953 -6.717 629 HB VAL 72 HB VAL 72 8.904 1.315 -5.720 630 HG11 VAL 72 HG11 VAL 72 6.618 1.381 -6.104 631 HG12 VAL 72 HG12 VAL 72 7.387 0.370 -7.333 632 HG13 VAL 72 HG13 VAL 72 6.858 2.004 -7.737 633 HG21 VAL 72 HG21 VAL 72 10.614 1.977 -7.300 634 HG22 VAL 72 HG22 VAL 72 9.398 2.334 -8.514 635 HG23 VAL 72 HG23 VAL 72 9.642 0.672 -7.971 636 H VAL 73 HN VAL 73 6.162 3.936 -5.412 637 HA VAL 73 HA VAL 73 6.369 2.742 -2.772 638 HB VAL 73 HB VAL 73 4.278 4.644 -3.934 639 HG11 VAL 73 HG11 VAL 73 3.245 4.628 -1.714 640 HG12 VAL 73 HG12 VAL 73 4.425 3.445 -1.164 641 HG13 VAL 73 HG13 VAL 73 3.253 3.004 -2.405 642 HG21 VAL 73 HG21 VAL 73 5.076 6.158 -2.148 643 HG22 VAL 73 HG22 VAL 73 6.272 5.778 -3.394 644 HG23 VAL 73 HG23 VAL 73 6.374 4.998 -1.810 645 H PHE 74 HN PHE 74 6.168 0.716 -3.270 646 HA PHE 74 HA PHE 74 4.334 -0.113 -5.364 647 HB2 PHE 74 HB2 PHE 74 6.577 -0.947 -5.604 648 HB3 PHE 74 HB1 PHE 74 6.578 -1.563 -3.958 649 HD1 PHE 74 HD1 PHE 74 4.066 -1.905 -6.700 650 HD2 PHE 74 HD2 PHE 74 6.824 -3.844 -4.104 651 HE1 PHE 74 HE1 PHE 74 3.315 -4.083 -7.526 652 HE2 PHE 74 HE2 PHE 74 6.067 -6.029 -4.931 653 HZ PHE 74 HZ PHE 74 4.304 -6.143 -6.645 654 H VAL 75 HN VAL 75 2.398 -0.349 -4.665 655 HA VAL 75 HA VAL 75 1.773 -1.246 -2.035 656 HB VAL 75 HB VAL 75 -0.072 -0.905 -4.408 657 HG11 VAL 75 HG11 VAL 75 -1.028 -2.263 -2.637 658 HG12 VAL 75 HG12 VAL 75 -1.820 -0.687 -2.716 659 HG13 VAL 75 HG13 VAL 75 -0.634 -1.018 -1.450 660 HG21 VAL 75 HG21 VAL 75 -0.589 1.304 -3.431 661 HG22 VAL 75 HG22 VAL 75 1.085 1.171 -3.962 662 HG23 VAL 75 HG23 VAL 75 0.697 1.058 -2.245 663 H ILE 76 HN ILE 76 1.577 -3.187 -1.400 664 HA ILE 76 HA ILE 76 2.022 -5.456 -3.127 665 HB ILE 76 HB ILE 76 1.560 -5.340 -0.141 666 HG12 ILE 76 HG12 ILE 76 3.497 -3.965 -0.774 667 HG13 ILE 76 HG11 ILE 76 3.998 -5.394 0.122 668 HG21 ILE 76 HG21 ILE 76 2.797 -7.511 -1.835 669 HG22 ILE 76 HG22 ILE 76 1.217 -7.563 -1.048 670 HG23 ILE 76 HG23 ILE 76 2.683 -7.507 -0.071 671 HD11 ILE 76 HD11 ILE 76 4.179 -4.995 -2.861 672 HD12 ILE 76 HD12 ILE 76 4.670 -6.450 -1.999 673 HD13 ILE 76 HD13 ILE 76 5.513 -4.931 -1.711 674 H SER 77 HN SER 77 -0.478 -4.446 -0.742 675 HA SER 77 HA SER 77 -2.506 -5.765 -2.295 676 HB2 SER 77 HB2 SER 77 -1.546 -7.579 -0.817 677 HB3 SER 77 HB1 SER 77 -2.022 -6.617 0.584 678 HG SER 77 HG SER 77 -3.808 -7.742 0.356 679 H VAL 78 HN VAL 78 -4.664 -5.225 -1.407 680 HA VAL 78 HA VAL 78 -4.761 -2.905 0.366 681 HB VAL 78 HB VAL 78 -6.220 -2.922 -2.285 682 HG11 VAL 78 HG11 VAL 78 -5.585 -0.708 -0.379 683 HG12 VAL 78 HG12 VAL 78 -7.129 -1.532 -0.564 684 HG13 VAL 78 HG13 VAL 78 -6.485 -0.551 -1.888 685 HG21 VAL 78 HG21 VAL 78 -4.615 -1.307 -3.203 686 HG22 VAL 78 HG22 VAL 78 -3.864 -2.873 -2.887 687 HG23 VAL 78 HG23 VAL 78 -3.596 -1.530 -1.779 688 H GLY 79 HN GLY 79 -6.672 -3.156 1.633 689 HA2 GLY 79 HA2 GLY 79 -9.124 -3.652 1.017 690 HA3 GLY 79 HA1 GLY 79 -8.477 -5.276 0.793 691 H LYS 80 HN LYS 80 -10.038 -5.751 2.514 692 HA LYS 80 HA LYS 80 -9.085 -4.886 5.112 693 HB2 LYS 80 HB2 LYS 80 -11.596 -6.343 4.306 694 HB3 LYS 80 HB1 LYS 80 -11.128 -6.063 5.976 695 HG2 LYS 80 HG2 LYS 80 -11.180 -3.653 5.588 696 HG3 LYS 80 HG1 LYS 80 -11.640 -3.934 3.915 697 HD2 LYS 80 HD2 LYS 80 -13.614 -3.341 5.120 698 HD3 LYS 80 HD1 LYS 80 -13.715 -5.053 4.753 699 HE2 LYS 80 HE2 LYS 80 -12.763 -3.997 7.420 700 HE3 LYS 80 HE1 LYS 80 -14.453 -4.319 7.083 701 HZ1 LYS 80 HZ1 LYS 80 -12.236 -6.318 7.228 702 HZ2 LYS 80 HZ2 LYS 80 -13.749 -6.660 6.600 703 HZ3 LYS 80 HZ3 LYS 80 -13.605 -6.178 8.188 704 H ALA 81 HN ALA 81 -7.331 -5.971 5.496 705 HA ALA 81 HA ALA 81 -7.171 -8.834 5.222 706 HB1 ALA 81 HB1 ALA 81 -5.352 -6.852 6.624 707 HB2 ALA 81 HB2 ALA 81 -5.137 -7.470 4.987 708 HB3 ALA 81 HB3 ALA 81 -4.989 -8.558 6.370 709 H GLU 82 HN GLU 82 -7.162 -10.264 7.059 710 HA GLU 82 HA GLU 82 -8.982 -9.234 8.981 711 HB2 GLU 82 HB2 GLU 82 -9.179 -11.477 9.859 712 HB3 GLU 82 HB1 GLU 82 -9.490 -11.420 8.128 713 HG2 GLU 82 HG2 GLU 82 -7.116 -12.234 7.840 714 HG3 GLU 82 HG1 GLU 82 -7.104 -12.513 9.577 715 H ALA 83 HN ALA 83 -8.301 -8.088 10.507 716 HA ALA 83 HA ALA 83 -5.874 -8.887 11.928 717 HB1 ALA 83 HB1 ALA 83 -5.899 -6.639 12.882 718 HB2 ALA 83 HB2 ALA 83 -7.401 -6.294 12.015 719 HB3 ALA 83 HB3 ALA 83 -5.913 -6.599 11.119 720 H SER 84 HN SER 84 -9.242 -8.814 12.104 721 HA SER 84 HA SER 84 -9.189 -9.245 14.974 722 HB2 SER 84 HB2 SER 84 -11.750 -9.093 14.649 723 HB3 SER 84 HB1 SER 84 -10.797 -7.616 14.490 724 HG SER 84 HG SER 84 -12.181 -9.078 12.547 725 H GLU 85 HN GLU 85 -10.487 -10.700 12.008 726 HA GLU 85 HA GLU 85 -11.423 -13.033 13.220 727 HB2 GLU 85 HB2 GLU 85 -10.484 -12.723 10.350 728 HB3 GLU 85 HB1 GLU 85 -11.345 -14.094 10.988 729 HG2 GLU 85 HG2 GLU 85 -12.892 -12.747 9.777 730 HG3 GLU 85 HG1 GLU 85 -13.261 -12.605 11.487 731 H VAL 86 HN VAL 86 -8.244 -12.130 12.248 732 HA VAL 86 HA VAL 86 -7.095 -14.660 12.123 733 HB VAL 86 HB VAL 86 -5.996 -12.581 11.285 734 HG11 VAL 86 HG11 VAL 86 -6.389 -11.066 13.090 735 HG12 VAL 86 HG12 VAL 86 -4.657 -11.194 12.773 736 HG13 VAL 86 HG13 VAL 86 -5.365 -12.019 14.162 737 HG21 VAL 86 HG21 VAL 86 -4.339 -14.248 13.167 738 HG22 VAL 86 HG22 VAL 86 -3.700 -13.231 11.875 739 HG23 VAL 86 HG23 VAL 86 -4.707 -14.625 11.485 740 H TYR 87 HN TYR 87 -7.572 -12.531 14.955 741 HA TYR 87 HA TYR 87 -6.145 -14.420 16.571 742 HB2 TYR 87 HB2 TYR 87 -6.745 -13.012 18.545 743 HB3 TYR 87 HB1 TYR 87 -5.889 -12.141 17.290 744 HD1 TYR 87 HD2 TYR 87 -9.427 -12.818 18.370 745 HD2 TYR 87 HD1 TYR 87 -6.640 -10.023 16.805 746 HE1 TYR 87 HE2 TYR 87 -11.146 -11.068 18.450 747 HE2 TYR 87 HE1 TYR 87 -8.349 -8.260 16.896 748 HH TYR 87 HH TYR 87 -11.261 -8.678 18.582 749 H SER 88 HN SER 88 -9.356 -14.065 15.560 750 HA SER 88 HA SER 88 -10.341 -15.677 17.693 751 HB2 SER 88 HB2 SER 88 -12.473 -15.758 16.341 752 HB3 SER 88 HB1 SER 88 -11.917 -14.138 16.755 753 HG SER 88 HG SER 88 -10.932 -15.011 14.340 754 H GLU 89 HN GLU 89 -9.103 -16.261 14.458 755 HA GLU 89 HA GLU 89 -9.762 -19.050 14.483 756 HB2 GLU 89 HB2 GLU 89 -7.606 -17.584 12.929 757 HB3 GLU 89 HB1 GLU 89 -8.176 -19.213 12.606 758 HG2 GLU 89 HG2 GLU 89 -9.768 -16.673 12.321 759 HG3 GLU 89 HG1 GLU 89 -9.095 -17.644 11.015 760 H ALA 90 HN ALA 90 -6.982 -17.030 15.136 761 HA ALA 90 HA ALA 90 -5.230 -17.116 16.447 762 HB1 ALA 90 HB1 ALA 90 -5.149 -18.556 18.413 763 HB2 ALA 90 HB2 ALA 90 -6.470 -19.535 17.775 764 HB3 ALA 90 HB3 ALA 90 -6.758 -17.857 18.232 765 H VAL 91 HN VAL 91 -3.604 -17.398 15.194 766 HA VAL 91 HA VAL 91 -1.961 -18.214 14.023 767 HB VAL 91 HB VAL 91 -0.576 -19.986 14.958 768 HG11 VAL 91 HG11 VAL 91 -1.683 -18.147 17.047 769 HG12 VAL 91 HG12 VAL 91 -0.381 -17.806 15.910 770 HG13 VAL 91 HG13 VAL 91 -0.157 -19.024 17.168 771 HG21 VAL 91 HG21 VAL 91 -1.207 -21.208 17.004 772 HG22 VAL 91 HG22 VAL 91 -2.272 -21.609 15.659 773 HG23 VAL 91 HG23 VAL 91 -2.822 -20.504 16.920 774 H LYS 92 HN LYS 92 -0.924 -20.591 13.311 775 HA LYS 92 HA LYS 92 -2.755 -21.302 11.218 776 HB2 LYS 92 HB2 LYS 92 0.008 -22.405 11.814 777 HB3 LYS 92 HB1 LYS 92 -0.907 -22.646 10.335 778 HG2 LYS 92 HG2 LYS 92 -0.789 -20.309 9.806 779 HG3 LYS 92 HG1 LYS 92 -0.034 -19.969 11.360 780 HD2 LYS 92 HD2 LYS 92 1.913 -21.299 10.699 781 HD3 LYS 92 HD1 LYS 92 1.164 -21.627 9.139 782 HE2 LYS 92 HE2 LYS 92 1.886 -18.891 10.205 783 HE3 LYS 92 HE1 LYS 92 2.818 -19.797 9.017 784 HZ1 LYS 92 HZ1 LYS 92 0.967 -19.675 7.501 785 HZ2 LYS 92 HZ2 LYS 92 1.365 -18.108 7.989 786 HZ3 LYS 92 HZ3 LYS 92 0.018 -18.871 8.637 787 H ARG 93 HN ARG 93 -1.225 -22.964 13.951 788 HA ARG 93 HA ARG 93 -3.543 -24.647 14.225 789 HB2 ARG 93 HB2 ARG 93 -2.267 -25.847 12.483 790 HB3 ARG 93 HB1 ARG 93 -0.885 -25.933 13.555 791 HG2 ARG 93 HG2 ARG 93 -2.022 -28.068 13.480 792 HG3 ARG 93 HG1 ARG 93 -2.192 -27.372 15.090 793 HD2 ARG 93 HD2 ARG 93 -4.310 -27.156 12.944 794 HD3 ARG 93 HD1 ARG 93 -4.273 -28.459 14.126 795 HE ARG 93 HE ARG 93 -4.337 -26.523 15.803 796 HH11 ARG 93 HH11 ARG 93 -6.118 -26.565 12.734 797 HH12 ARG 93 HH12 ARG 93 -7.290 -25.443 13.270 798 HH21 ARG 93 HH21 ARG 93 -5.958 -25.045 16.504 799 HH22 ARG 93 HH22 ARG 93 -7.212 -24.568 15.447 800 H ILE 94 HN ILE 94 -0.137 -24.253 15.219 801 HA ILE 94 HA ILE 94 -0.989 -24.860 17.967 802 HB ILE 94 HB ILE 94 1.311 -25.702 18.358 803 HG12 ILE 94 HG12 ILE 94 1.578 -25.487 15.345 804 HG13 ILE 94 HG11 ILE 94 2.419 -24.484 16.515 805 HG21 ILE 94 HG21 ILE 94 -0.487 -27.276 17.937 806 HG22 ILE 94 HG22 ILE 94 1.007 -27.860 17.201 807 HG23 ILE 94 HG23 ILE 94 -0.239 -27.124 16.198 808 HD11 ILE 94 HD11 ILE 94 3.601 -26.442 17.344 809 HD12 ILE 94 HD12 ILE 94 3.851 -26.230 15.610 810 HD13 ILE 94 HD13 ILE 94 2.721 -27.451 16.201 811 H LEU 95 HN LEU 95 0.476 -23.937 19.615 812 HA LEU 95 HA LEU 95 1.192 -21.192 18.913 813 HB2 LEU 95 HB2 LEU 95 0.777 -22.524 21.598 814 HB3 LEU 95 HB1 LEU 95 1.136 -20.825 21.356 815 HG LEU 95 HG LEU 95 -1.396 -22.223 20.475 816 HD11 LEU 95 HD11 LEU 95 -0.883 -20.357 22.790 817 HD12 LEU 95 HD12 LEU 95 -1.229 -22.080 22.901 818 HD13 LEU 95 HD13 LEU 95 -2.459 -20.973 22.295 819 HD21 LEU 95 HD21 LEU 95 -0.829 -20.310 19.055 820 HD22 LEU 95 HD22 LEU 95 -0.639 -19.299 20.486 821 HD23 LEU 95 HD23 LEU 95 -2.226 -19.948 20.071 822 H LYS 47 H LYS 47 8.359 -1.284 26.746 823 HA LYS 47 HA LYS 47 7.477 0.765 25.993 824 HB2 LYS 47 HB2 LYS 47 9.446 0.464 23.699 825 HB3 LYS 47 HB1 LYS 47 8.228 1.710 23.852 826 HG2 LYS 47 HG2 LYS 47 9.358 2.639 25.777 827 HG3 LYS 47 HG1 LYS 47 10.549 1.337 25.730 828 HD2 LYS 47 HD2 LYS 47 11.251 2.088 23.505 829 HD3 LYS 47 HD1 LYS 47 10.079 3.407 23.596 830 HE2 LYS 47 HE2 LYS 47 11.237 4.346 25.499 831 HE3 LYS 47 HE1 LYS 47 12.358 2.986 25.530 832 HZ1 LYS 47 HZ1 LYS 47 13.091 3.631 23.313 833 HZ2 LYS 47 HZ2 LYS 47 13.385 4.838 24.447 834 HZ3 LYS 47 HZ3 LYS 47 12.097 4.999 23.362 835 H GLN 48 HN GLN 48 5.624 0.477 24.837 836 HA GLN 48 HA GLN 48 5.399 -2.131 23.592 837 HB2 GLN 48 HB2 GLN 48 3.273 -0.267 24.626 838 HB3 GLN 48 HB1 GLN 48 2.941 -1.781 23.789 839 HG2 GLN 48 HG2 GLN 48 4.129 -3.011 25.489 840 HG3 GLN 48 HG1 GLN 48 4.513 -1.514 26.327 841 HE21 GLN 48 HE21 GLN 48 1.411 -2.128 24.836 842 HE22 GLN 48 HE22 GLN 48 0.509 -2.258 26.289 843 H THR 49 HN THR 49 4.775 -2.426 21.564 844 HA THR 49 HA THR 49 5.075 -0.155 19.811 845 HB THR 49 HB THR 49 5.118 -1.941 18.055 846 HG1 THR 49 HG1 THR 49 3.898 -3.405 19.786 847 HG21 THR 49 HG21 THR 49 7.175 -1.149 19.124 848 HG22 THR 49 HG22 THR 49 7.287 -2.876 18.765 849 HG23 THR 49 HG23 THR 49 6.956 -2.328 20.414 850 H LEU 50 HN LEU 50 3.552 -0.276 17.742 851 HA LEU 50 HA LEU 50 0.833 -0.514 18.729 852 HB2 LEU 50 HB2 LEU 50 1.997 1.067 16.445 853 HB3 LEU 50 HB1 LEU 50 0.307 1.003 16.860 854 HG LEU 50 HG LEU 50 0.996 3.036 17.705 855 HD11 LEU 50 HD11 LEU 50 1.232 1.173 20.040 856 HD12 LEU 50 HD12 LEU 50 -0.248 1.855 19.376 857 HD13 LEU 50 HD13 LEU 50 0.945 2.910 20.135 858 HD21 LEU 50 HD21 LEU 50 3.401 2.812 17.393 859 HD22 LEU 50 HD22 LEU 50 3.501 1.751 18.798 860 HD23 LEU 50 HD23 LEU 50 3.049 3.444 19.002 861 H LEU 51 HN LEU 51 2.884 -2.391 17.294 862 HA LEU 51 HA LEU 51 1.345 -3.186 14.981 863 HB2 LEU 51 HB2 LEU 51 3.160 -4.862 14.673 864 HB3 LEU 51 HB1 LEU 51 3.729 -3.211 14.738 865 HG LEU 51 HG LEU 51 4.160 -3.811 17.259 866 HD11 LEU 51 HD11 LEU 51 4.953 -6.098 17.564 867 HD12 LEU 51 HD12 LEU 51 4.278 -6.528 15.990 868 HD13 LEU 51 HD13 LEU 51 3.216 -5.995 17.290 869 HD21 LEU 51 HD21 LEU 51 6.473 -4.503 16.599 870 HD22 LEU 51 HD22 LEU 51 5.867 -3.038 15.843 871 HD23 LEU 51 HD23 LEU 51 5.909 -4.533 14.919 872 H SER 52 HN SER 52 0.787 -5.585 14.760 873 HA SER 52 HA SER 52 0.077 -6.804 17.294 874 HB2 SER 52 HB2 SER 52 -1.686 -5.043 16.766 875 HB3 SER 52 HB1 SER 52 -2.102 -5.989 15.342 876 HG SER 52 HG SER 52 -2.348 -6.625 18.057 877 H ASP 53 HN ASP 53 -1.913 -8.507 16.167 878 HA ASP 53 HA ASP 53 -0.371 -10.618 15.061 879 HB2 ASP 53 HB2 ASP 53 -3.357 -10.252 15.217 880 HB3 ASP 53 HB1 ASP 53 -2.527 -11.744 14.805 881 H GLU 54 HN GLU 54 -2.227 -8.119 13.653 882 HA GLU 54 HA GLU 54 -2.647 -9.190 11.113 883 HB2 GLU 54 HB2 GLU 54 -2.734 -6.800 10.366 884 HB3 GLU 54 HB1 GLU 54 -3.768 -7.178 11.737 885 HG2 GLU 54 HG2 GLU 54 -2.231 -6.150 13.261 886 HG3 GLU 54 HG1 GLU 54 -1.047 -5.921 11.976 887 H ASP 55 HN ASP 55 0.134 -7.575 12.514 888 HA ASP 55 HA ASP 55 1.617 -7.132 10.186 889 HB2 ASP 55 HB2 ASP 55 2.545 -7.538 13.029 890 HB3 ASP 55 HB1 ASP 55 3.572 -6.988 11.705 891 H ALA 56 HN ALA 56 1.338 -9.867 12.288 892 HA ALA 56 HA ALA 56 3.533 -11.344 11.282 893 HB1 ALA 56 HB1 ALA 56 2.581 -13.216 12.476 894 HB2 ALA 56 HB2 ALA 56 1.049 -12.356 12.635 895 HB3 ALA 56 HB3 ALA 56 2.481 -11.757 13.466 896 H GLU 57 HN GLU 57 0.300 -10.836 10.183 897 HA GLU 57 HA GLU 57 0.384 -13.134 8.441 898 HB2 GLU 57 HB2 GLU 57 -1.648 -10.961 8.861 899 HB3 GLU 57 HB1 GLU 57 -1.860 -12.278 7.693 900 HG2 GLU 57 HG2 GLU 57 -1.682 -12.425 10.689 901 HG3 GLU 57 HG1 GLU 57 -3.081 -12.781 9.676 902 H LEU 58 HN LEU 58 0.620 -9.666 8.333 903 HA LEU 58 HA LEU 58 0.707 -9.611 5.523 904 HB2 LEU 58 HB2 LEU 58 1.214 -7.531 7.588 905 HB3 LEU 58 HB1 LEU 58 1.733 -7.236 5.947 906 HG LEU 58 HG LEU 58 -0.394 -6.198 6.352 907 HD11 LEU 58 HD11 LEU 58 0.034 -7.031 4.114 908 HD12 LEU 58 HD12 LEU 58 -1.685 -7.124 4.496 909 HD13 LEU 58 HD13 LEU 58 -0.700 -8.580 4.524 910 HD21 LEU 58 HD21 LEU 58 -1.479 -8.949 6.954 911 HD22 LEU 58 HD22 LEU 58 -2.447 -7.486 6.772 912 HD23 LEU 58 HD23 LEU 58 -1.293 -7.624 8.100 913 H VAL 59 HN VAL 59 3.226 -10.091 7.875 914 HA VAL 59 HA VAL 59 5.364 -9.536 6.077 915 HB VAL 59 HB VAL 59 6.879 -10.730 7.520 916 HG11 VAL 59 HG11 VAL 59 6.507 -9.721 9.679 917 HG12 VAL 59 HG12 VAL 59 4.878 -9.272 9.166 918 HG13 VAL 59 HG13 VAL 59 6.283 -8.616 8.326 919 HG21 VAL 59 HG21 VAL 59 5.639 -12.772 7.907 920 HG22 VAL 59 HG22 VAL 59 4.472 -11.911 8.915 921 HG23 VAL 59 HG23 VAL 59 6.149 -12.081 9.450 922 H GLU 60 HN GLU 60 3.354 -12.374 6.483 923 HA GLU 60 HA GLU 60 5.033 -13.808 4.688 924 HB2 GLU 60 HB2 GLU 60 3.348 -15.648 4.797 925 HB3 GLU 60 HB1 GLU 60 4.037 -15.193 6.346 926 HG2 GLU 60 HG2 GLU 60 2.031 -14.091 6.980 927 HG3 GLU 60 HG1 GLU 60 1.367 -14.256 5.355 928 H ILE 61 HN ILE 61 1.978 -12.095 4.511 929 HA ILE 61 HA ILE 61 1.259 -12.908 1.920 930 HB ILE 61 HB ILE 61 0.584 -10.327 3.380 931 HG12 ILE 61 HG12 ILE 61 -1.015 -12.869 2.975 932 HG13 ILE 61 HG11 ILE 61 -0.187 -12.413 4.453 933 HG21 ILE 61 HG21 ILE 61 -0.679 -11.448 0.871 934 HG22 ILE 61 HG22 ILE 61 0.296 -9.981 0.977 935 HG23 ILE 61 HG23 ILE 61 -1.273 -10.062 1.785 936 HD11 ILE 61 HD11 ILE 61 -1.658 -10.486 4.696 937 HD12 ILE 61 HD12 ILE 61 -2.576 -11.985 4.589 938 HD13 ILE 61 HD13 ILE 61 -2.472 -10.914 3.192 939 H VAL 62 HN VAL 62 3.338 -10.254 2.993 940 HA VAL 62 HA VAL 62 3.630 -9.225 0.376 941 HB VAL 62 HB VAL 62 4.044 -7.736 2.288 942 HG11 VAL 62 HG11 VAL 62 6.044 -7.864 3.643 943 HG12 VAL 62 HG12 VAL 62 6.487 -9.382 2.856 944 HG13 VAL 62 HG13 VAL 62 5.033 -9.297 3.849 945 HG21 VAL 62 HG21 VAL 62 5.107 -7.161 0.184 946 HG22 VAL 62 HG22 VAL 62 6.526 -8.114 0.622 947 HG23 VAL 62 HG23 VAL 62 6.114 -6.668 1.547 948 H LYS 63 HN LYS 63 5.721 -11.348 2.316 949 HA LYS 63 HA LYS 63 7.728 -11.619 0.339 950 HB2 LYS 63 HB2 LYS 63 8.564 -13.493 1.626 951 HB3 LYS 63 HB1 LYS 63 8.057 -12.223 2.734 952 HG2 LYS 63 HG2 LYS 63 5.982 -13.390 3.123 953 HG3 LYS 63 HG1 LYS 63 6.477 -14.692 2.061 954 HD2 LYS 63 HD2 LYS 63 7.817 -13.874 4.658 955 HD3 LYS 63 HD1 LYS 63 6.858 -15.321 4.394 956 HE2 LYS 63 HE2 LYS 63 8.503 -16.016 2.644 957 HE3 LYS 63 HE1 LYS 63 9.492 -14.644 3.108 958 HZ1 LYS 63 HZ1 LYS 63 8.745 -16.906 4.878 959 HZ2 LYS 63 HZ2 LYS 63 9.628 -15.551 5.355 960 HZ3 LYS 63 HZ3 LYS 63 10.266 -16.605 4.195 961 H GLU 64 HN GLU 64 4.690 -13.212 0.879 962 HA GLU 64 HA GLU 64 4.866 -15.360 -0.871 963 HB2 GLU 64 HB2 GLU 64 3.024 -15.085 0.679 964 HB3 GLU 64 HB1 GLU 64 2.543 -13.595 -0.109 965 HG2 GLU 64 HG2 GLU 64 1.047 -15.222 -0.828 966 HG3 GLU 64 HG1 GLU 64 2.150 -14.897 -2.148 967 H ARG 65 HN ARG 65 3.432 -12.142 -1.422 968 HA ARG 65 HA ARG 65 3.202 -12.618 -4.203 969 HB2 ARG 65 HB2 ARG 65 2.983 -10.017 -2.692 970 HB3 ARG 65 HB1 ARG 65 2.598 -10.215 -4.399 971 HG2 ARG 65 HG2 ARG 65 0.903 -11.902 -3.768 972 HG3 ARG 65 HG1 ARG 65 1.241 -11.546 -2.074 973 HD2 ARG 65 HD2 ARG 65 0.596 -9.199 -2.479 974 HD3 ARG 65 HD1 ARG 65 0.184 -9.625 -4.142 975 HE ARG 65 HE ARG 65 -1.090 -11.304 -2.263 976 HH11 ARG 65 HH11 ARG 65 -1.379 -8.183 -3.946 977 HH12 ARG 65 HH12 ARG 65 -3.015 -7.972 -3.590 978 HH21 ARG 65 HH21 ARG 65 -3.390 -11.025 -1.790 979 HH22 ARG 65 HH22 ARG 65 -4.217 -9.645 -2.322 980 H LEU 66 HN LEU 66 5.768 -11.645 -2.301 981 HA LEU 66 HA LEU 66 7.155 -10.247 -4.403 982 HB2 LEU 66 HB2 LEU 66 8.194 -11.284 -1.778 983 HB3 LEU 66 HB1 LEU 66 9.230 -10.514 -2.954 984 HG LEU 66 HG LEU 66 6.910 -9.236 -1.501 985 HD11 LEU 66 HD11 LEU 66 8.856 -9.568 -0.092 986 HD12 LEU 66 HD12 LEU 66 8.638 -7.858 -0.459 987 HD13 LEU 66 HD13 LEU 66 9.879 -8.789 -1.297 988 HD21 LEU 66 HD21 LEU 66 7.071 -8.299 -3.741 989 HD22 LEU 66 HD22 LEU 66 8.807 -8.071 -3.545 990 HD23 LEU 66 HD23 LEU 66 7.683 -7.136 -2.563 991 H ARG 67 HN ARG 67 6.523 -13.474 -4.000 992 HA ARG 67 HA ARG 67 8.930 -14.571 -5.061 993 HB2 ARG 67 HB2 ARG 67 7.700 -16.638 -5.398 994 HB3 ARG 67 HB1 ARG 67 7.135 -15.933 -3.904 995 HG2 ARG 67 HG2 ARG 67 5.209 -14.958 -5.277 996 HG3 ARG 67 HG1 ARG 67 5.706 -16.078 -6.541 997 HD2 ARG 67 HD2 ARG 67 4.943 -16.852 -3.723 998 HD3 ARG 67 HD1 ARG 67 3.869 -16.904 -5.109 999 HE ARG 67 HE ARG 67 5.947 -18.451 -5.860 1000 HH11 ARG 67 HH11 ARG 67 3.926 -18.422 -2.923 1001 HH12 ARG 67 HH12 ARG 67 3.898 -20.102 -2.740 1002 HH21 ARG 67 HH21 ARG 67 5.827 -20.835 -5.622 1003 HH22 ARG 67 HH22 ARG 67 4.937 -21.503 -4.333 1004 H ASN 68 HN ASN 68 5.998 -13.314 -6.452 1005 HA ASN 68 HA ASN 68 7.220 -12.552 -8.901 1006 HB2 ASN 68 HB2 ASN 68 5.001 -14.644 -8.993 1007 HB3 ASN 68 HB1 ASN 68 5.455 -13.656 -10.364 1008 HD21 ASN 68 HD21 ASN 68 7.516 -14.044 -11.327 1009 HD22 ASN 68 HD22 ASN 68 8.289 -15.567 -11.177 1010 HA PRO 69 HA PRO 69 3.850 -9.949 -7.364 1011 HB2 PRO 69 HB2 PRO 69 5.329 -7.599 -7.792 1012 HB3 PRO 69 HB1 PRO 69 5.085 -8.435 -6.261 1013 HG2 PRO 69 HG2 PRO 69 7.498 -8.193 -7.738 1014 HG3 PRO 69 HG1 PRO 69 7.231 -9.130 -6.263 1015 HD2 PRO 69 HD2 PRO 69 7.410 -10.055 -9.067 1016 HD3 PRO 69 HD1 PRO 69 7.613 -10.957 -7.559 1017 H LYS 70 HN LYS 70 5.920 -8.616 -9.955 1018 HA LYS 70 HA LYS 70 5.519 -7.628 -11.889 1019 HB2 LYS 70 HB2 LYS 70 2.888 -9.141 -11.838 1020 HB3 LYS 70 HB1 LYS 70 3.312 -8.057 -13.140 1021 HG2 LYS 70 HG2 LYS 70 3.717 -10.331 -13.811 1022 HG3 LYS 70 HG1 LYS 70 5.249 -9.493 -13.671 1023 HD2 LYS 70 HD2 LYS 70 5.719 -10.571 -11.581 1024 HD3 LYS 70 HD1 LYS 70 4.106 -11.272 -11.518 1025 HE2 LYS 70 HE2 LYS 70 6.154 -11.855 -13.648 1026 HE3 LYS 70 HE1 LYS 70 5.861 -12.875 -12.242 1027 HZ1 LYS 70 HZ1 LYS 70 3.876 -12.243 -14.365 1028 HZ2 LYS 70 HZ2 LYS 70 3.575 -13.213 -13.029 1029 HZ3 LYS 70 HZ3 LYS 70 4.699 -13.693 -14.187 1030 HA PRO 71 HA PRO 71 3.271 -4.213 -9.975 1031 HB2 PRO 71 HB2 PRO 71 5.241 -2.400 -10.138 1032 HB3 PRO 71 HB1 PRO 71 5.158 -3.590 -8.832 1033 HG2 PRO 71 HG2 PRO 71 6.914 -3.527 -11.239 1034 HG3 PRO 71 HG1 PRO 71 7.263 -4.131 -9.613 1035 HD2 PRO 71 HD2 PRO 71 6.570 -5.700 -11.825 1036 HD3 PRO 71 HD1 PRO 71 6.523 -6.208 -10.127 1037 H VAL 72 HN VAL 72 2.460 -2.367 -10.932 1038 HA VAL 72 HA VAL 72 3.125 -1.958 -13.769 1039 HB VAL 72 HB VAL 72 0.430 -1.475 -12.456 1040 HG11 VAL 72 HG11 VAL 72 0.830 -0.032 -14.361 1041 HG12 VAL 72 HG12 VAL 72 -0.409 -1.228 -14.749 1042 HG13 VAL 72 HG13 VAL 72 1.232 -1.428 -15.359 1043 HG21 VAL 72 HG21 VAL 72 0.806 -3.877 -12.523 1044 HG22 VAL 72 HG22 VAL 72 1.284 -3.776 -14.212 1045 HG23 VAL 72 HG23 VAL 72 -0.383 -3.439 -13.753 1046 H ARG 73 HN ARG 73 4.026 0.018 -14.097 1047 HA ARG 73 HA ARG 73 4.225 2.027 -12.155 1048 HB2 ARG 73 HB2 ARG 73 4.655 1.987 -15.130 1049 HB3 ARG 73 HB1 ARG 73 4.777 3.476 -14.224 1050 HG2 ARG 73 HG2 ARG 73 6.475 1.013 -13.815 1051 HG3 ARG 73 HG1 ARG 73 6.962 2.487 -14.648 1052 HD2 ARG 73 HD2 ARG 73 6.420 3.719 -12.507 1053 HD3 ARG 73 HD1 ARG 73 6.308 2.142 -11.738 1054 HE ARG 73 HE ARG 73 8.735 2.444 -13.152 1055 HH11 ARG 73 HH11 ARG 73 7.162 2.929 -10.060 1056 HH12 ARG 73 HH12 ARG 73 8.531 3.579 -9.258 1057 HH21 ARG 73 HH21 ARG 73 10.697 3.201 -12.055 1058 HH22 ARG 73 HH22 ARG 73 10.654 3.648 -10.419 1059 H VAL 74 HN VAL 74 2.544 3.128 -11.393 1060 HA VAL 74 HA VAL 74 0.672 4.180 -13.347 1061 HB VAL 74 HB VAL 74 -1.206 3.933 -11.743 1062 HG11 VAL 74 HG11 VAL 74 -1.589 1.535 -12.061 1063 HG12 VAL 74 HG12 VAL 74 0.107 1.334 -12.508 1064 HG13 VAL 74 HG13 VAL 74 -0.964 2.309 -13.518 1065 HG21 VAL 74 HG21 VAL 74 0.728 2.234 -10.174 1066 HG22 VAL 74 HG22 VAL 74 -1.011 2.387 -9.871 1067 HG23 VAL 74 HG23 VAL 74 0.045 3.788 -9.684 1068 H THR 75 HN THR 75 -0.763 5.798 -12.175 1069 HA THR 75 HA THR 75 0.791 7.583 -10.479 1070 HB THR 75 HB THR 75 -0.249 9.477 -11.849 1071 HG1 THR 75 HG1 THR 75 -0.645 7.408 -13.753 1072 HG21 THR 75 HG21 THR 75 1.406 9.392 -13.667 1073 HG22 THR 75 HG22 THR 75 1.689 7.686 -13.322 1074 HG23 THR 75 HG23 THR 75 2.122 8.910 -12.127 1075 H LEU 76 HN LEU 76 -0.703 9.053 -9.341 1076 HA LEU 76 HA LEU 76 -3.122 7.722 -8.540 1077 HB2 LEU 76 HB2 LEU 76 -2.056 10.458 -7.924 1078 HB3 LEU 76 HB1 LEU 76 -3.521 9.805 -7.206 1079 HG LEU 76 HG LEU 76 -0.809 8.577 -6.963 1080 HD11 LEU 76 HD11 LEU 76 -0.830 9.484 -4.669 1081 HD12 LEU 76 HD12 LEU 76 -2.373 10.274 -5.005 1082 HD13 LEU 76 HD13 LEU 76 -0.914 10.781 -5.861 1083 HD21 LEU 76 HD21 LEU 76 -2.580 6.988 -6.678 1084 HD22 LEU 76 HD22 LEU 76 -3.393 8.035 -5.505 1085 HD23 LEU 76 HD23 LEU 76 -1.822 7.314 -5.131 1086 H ASP 77 HN ASP 77 -2.219 10.040 -10.795 1087 HA ASP 77 HA ASP 77 -4.627 11.363 -11.331 1088 HB2 ASP 77 HB2 ASP 77 -2.519 12.179 -12.179 1089 HB3 ASP 77 HB1 ASP 77 -2.287 10.716 -13.120 1090 H GLU 78 HN GLU 78 -3.384 8.247 -12.423 1091 HA GLU 78 HA GLU 78 -5.541 8.045 -14.346 1092 HB2 GLU 78 HB2 GLU 78 -4.454 6.001 -15.117 1093 HB3 GLU 78 HB1 GLU 78 -3.357 7.373 -15.114 1094 HG2 GLU 78 HG2 GLU 78 -2.423 6.583 -12.994 1095 HG3 GLU 78 HG1 GLU 78 -3.433 5.150 -13.069 1096 H LEU 79 HN LEU 79 -4.992 7.119 -11.115 1097 HA LEU 79 HA LEU 79 -6.447 4.673 -11.175 1098 HB2 LEU 79 HB2 LEU 79 -5.959 6.497 -8.822 1099 HB3 LEU 79 HB1 LEU 79 -6.507 4.841 -8.739 1100 HG LEU 79 HG LEU 79 -3.783 5.837 -9.542 1101 HD11 LEU 79 HD11 LEU 79 -4.722 4.096 -7.283 1102 HD12 LEU 79 HD12 LEU 79 -4.178 5.769 -7.169 1103 HD13 LEU 79 HD13 LEU 79 -3.046 4.502 -7.639 1104 HD21 LEU 79 HD21 LEU 79 -4.837 3.010 -9.631 1105 HD22 LEU 79 HD22 LEU 79 -3.151 3.481 -9.828 1106 HD23 LEU 79 HD23 LEU 79 -4.347 3.989 -11.016 Start of MODEL 3 1 H MET 1 H MET 1 4.892 15.346 -5.224 2 HA MET 1 HA MET 1 5.689 13.095 -4.954 3 HB2 MET 1 HB2 MET 1 3.861 13.564 -6.538 4 HB3 MET 1 HB1 MET 1 5.038 13.889 -7.803 5 HG2 MET 1 HG2 MET 1 5.779 11.573 -7.721 6 HG3 MET 1 HG1 MET 1 4.642 11.250 -6.418 7 HE1 MET 1 HE1 MET 1 3.458 12.198 -10.781 8 HE2 MET 1 HE2 MET 1 5.117 12.007 -10.217 9 HE3 MET 1 HE3 MET 1 4.170 13.405 -9.710 10 H ALA 2 HN ALA 2 7.781 12.630 -4.528 11 HA ALA 2 HA ALA 2 9.680 12.780 -6.745 12 HB1 ALA 2 HB1 ALA 2 10.459 13.611 -4.581 13 HB2 ALA 2 HB2 ALA 2 11.380 12.192 -5.078 14 HB3 ALA 2 HB3 ALA 2 10.119 12.041 -3.855 15 H TYR 3 HN TYR 3 8.084 10.558 -4.592 16 HA TYR 3 HA TYR 3 9.227 8.317 -6.004 17 HB2 TYR 3 HB2 TYR 3 7.487 8.545 -3.562 18 HB3 TYR 3 HB1 TYR 3 7.768 6.996 -4.346 19 HD1 TYR 3 HD2 TYR 3 9.437 9.820 -2.591 20 HD2 TYR 3 HD1 TYR 3 9.819 5.815 -3.980 21 HE1 TYR 3 HE2 TYR 3 11.537 9.581 -1.318 22 HE2 TYR 3 HE1 TYR 3 11.918 5.565 -2.719 23 HH TYR 3 HH TYR 3 13.702 6.946 -1.750 24 H PHE 4 HN PHE 4 8.095 7.013 -7.362 25 HA PHE 4 HA PHE 4 5.645 8.180 -8.381 26 HB2 PHE 4 HB2 PHE 4 7.163 5.763 -9.404 27 HB3 PHE 4 HB1 PHE 4 5.931 6.670 -10.266 28 HD1 PHE 4 HD1 PHE 4 6.504 9.219 -10.647 29 HD2 PHE 4 HD2 PHE 4 9.356 6.180 -9.812 30 HE1 PHE 4 HE1 PHE 4 8.279 10.614 -11.631 31 HE2 PHE 4 HE2 PHE 4 11.127 7.538 -10.779 32 HZ PHE 4 HZ PHE 4 10.598 9.785 -11.701 33 H LEU 5 HN LEU 5 4.158 6.062 -9.225 34 HA LEU 5 HA LEU 5 3.613 4.686 -6.708 35 HB2 LEU 5 HB2 LEU 5 1.951 6.375 -7.269 36 HB3 LEU 5 HB1 LEU 5 1.754 5.680 -8.859 37 HG LEU 5 HG LEU 5 0.751 3.698 -7.900 38 HD11 LEU 5 HD11 LEU 5 1.068 5.135 -5.244 39 HD12 LEU 5 HD12 LEU 5 1.923 3.671 -5.726 40 HD13 LEU 5 HD13 LEU 5 0.178 3.633 -5.496 41 HD21 LEU 5 HD21 LEU 5 -0.400 6.320 -7.021 42 HD22 LEU 5 HD22 LEU 5 -1.288 4.817 -6.983 43 HD23 LEU 5 HD23 LEU 5 -0.716 5.464 -8.530 44 H ASP 6 HN ASP 6 3.199 2.468 -6.842 45 HA ASP 6 HA ASP 6 3.069 1.298 -9.502 46 HB2 ASP 6 HB2 ASP 6 5.527 1.326 -8.358 47 HB3 ASP 6 HB1 ASP 6 4.861 -0.100 -7.556 48 H PHE 7 HN PHE 7 2.236 -0.863 -9.390 49 HA PHE 7 HA PHE 7 0.962 -1.601 -6.862 50 HB2 PHE 7 HB2 PHE 7 -0.535 -0.973 -9.360 51 HB3 PHE 7 HB1 PHE 7 -1.145 -2.216 -8.288 52 HD1 PHE 7 HD2 PHE 7 -1.874 -1.623 -6.017 53 HD2 PHE 7 HD1 PHE 7 -0.688 1.310 -8.830 54 HE1 PHE 7 HE2 PHE 7 -3.012 0.102 -4.683 55 HE2 PHE 7 HE1 PHE 7 -1.822 3.035 -7.526 56 HZ PHE 7 HZ PHE 7 -2.988 2.444 -5.438 57 H ASP 8 HN ASP 8 0.834 -3.584 -6.477 58 HA ASP 8 HA ASP 8 1.989 -5.651 -8.036 59 HB2 ASP 8 HB2 ASP 8 2.107 -6.026 -5.744 60 HB3 ASP 8 HB1 ASP 8 0.491 -5.404 -5.466 61 H GLU 9 HN GLU 9 0.997 -7.328 -9.168 62 HA GLU 9 HA GLU 9 -1.160 -6.944 -10.751 63 HB2 GLU 9 HB2 GLU 9 0.334 -9.288 -9.873 64 HB3 GLU 9 HB1 GLU 9 -1.293 -9.630 -10.441 65 HG2 GLU 9 HG2 GLU 9 0.759 -8.072 -11.966 66 HG3 GLU 9 HG1 GLU 9 0.416 -9.792 -12.208 67 H ARG 10 HN ARG 10 -1.294 -8.241 -7.451 68 HA ARG 10 HA ARG 10 -4.065 -9.030 -7.830 69 HB2 ARG 10 HB2 ARG 10 -2.878 -8.923 -5.098 70 HB3 ARG 10 HB1 ARG 10 -3.929 -10.134 -5.802 71 HG2 ARG 10 HG2 ARG 10 -0.981 -9.826 -6.304 72 HG3 ARG 10 HG1 ARG 10 -1.737 -11.031 -5.275 73 HD2 ARG 10 HD2 ARG 10 -2.691 -12.139 -7.142 74 HD3 ARG 10 HD1 ARG 10 -2.294 -10.792 -8.222 75 HE ARG 10 HE ARG 10 0.087 -11.376 -7.387 76 HH11 ARG 10 HH11 ARG 10 -2.406 -13.712 -8.341 77 HH12 ARG 10 HH12 ARG 10 -1.262 -14.863 -8.871 78 HH21 ARG 10 HH21 ARG 10 1.608 -12.947 -8.148 79 HH22 ARG 10 HH22 ARG 10 1.013 -14.436 -8.766 80 H ALA 11 HN ALA 11 -2.095 -6.660 -6.179 81 HA ALA 11 HA ALA 11 -3.996 -5.249 -4.721 82 HB1 ALA 11 HB1 ALA 11 -2.461 -3.368 -4.735 83 HB2 ALA 11 HB2 ALA 11 -1.578 -4.083 -6.086 84 HB3 ALA 11 HB3 ALA 11 -1.586 -4.884 -4.513 85 H LEU 12 HN LEU 12 -3.235 -4.993 -8.100 86 HA LEU 12 HA LEU 12 -4.676 -2.727 -8.904 87 HB2 LEU 12 HB2 LEU 12 -4.479 -5.398 -10.279 88 HB3 LEU 12 HB1 LEU 12 -4.963 -3.906 -11.060 89 HG LEU 12 HG LEU 12 -2.223 -4.439 -9.898 90 HD11 LEU 12 HD11 LEU 12 -3.177 -4.526 -12.754 91 HD12 LEU 12 HD12 LEU 12 -2.782 -5.927 -11.765 92 HD13 LEU 12 HD13 LEU 12 -1.521 -4.773 -12.189 93 HD21 LEU 12 HD21 LEU 12 -1.575 -2.497 -11.227 94 HD22 LEU 12 HD22 LEU 12 -2.802 -2.068 -10.038 95 HD23 LEU 12 HD23 LEU 12 -3.250 -2.274 -11.732 96 H LYS 13 HN LYS 13 -5.688 -6.035 -8.453 97 HA LYS 13 HA LYS 13 -8.397 -5.658 -9.338 98 HB2 LYS 13 HB2 LYS 13 -7.403 -8.013 -7.744 99 HB3 LYS 13 HB1 LYS 13 -8.589 -7.984 -9.039 100 HG2 LYS 13 HG2 LYS 13 -5.612 -7.582 -9.418 101 HG3 LYS 13 HG1 LYS 13 -6.468 -9.093 -9.665 102 HD2 LYS 13 HD2 LYS 13 -7.615 -8.254 -11.549 103 HD3 LYS 13 HD1 LYS 13 -7.199 -6.584 -11.156 104 HE2 LYS 13 HE2 LYS 13 -5.875 -7.537 -13.056 105 HE3 LYS 13 HE1 LYS 13 -4.893 -6.943 -11.726 106 HZ1 LYS 13 HZ1 LYS 13 -5.504 -9.798 -12.345 107 HZ2 LYS 13 HZ2 LYS 13 -4.690 -9.272 -10.967 108 HZ3 LYS 13 HZ3 LYS 13 -4.005 -9.019 -12.461 109 H GLU 14 HN GLU 14 -6.599 -5.434 -6.464 110 HA GLU 14 HA GLU 14 -8.586 -5.913 -4.518 111 HB2 GLU 14 HB2 GLU 14 -5.970 -4.501 -4.406 112 HB3 GLU 14 HB1 GLU 14 -7.000 -4.775 -3.013 113 HG2 GLU 14 HG2 GLU 14 -5.840 -6.946 -4.768 114 HG3 GLU 14 HG1 GLU 14 -5.122 -6.389 -3.264 115 H TRP 15 HN TRP 15 -7.482 -2.947 -6.087 116 HA TRP 15 HA TRP 15 -9.208 -1.505 -4.266 117 HB2 TRP 15 HB2 TRP 15 -8.503 0.591 -5.166 118 HB3 TRP 15 HB1 TRP 15 -7.070 -0.413 -5.211 119 HD1 TRP 15 HD1 TRP 15 -9.824 0.887 -7.688 120 HE1 TRP 15 HE1 TRP 15 -8.743 1.260 -9.976 121 HE3 TRP 15 HE3 TRP 15 -5.124 -0.855 -6.671 122 HZ2 TRP 15 HZ2 TRP 15 -6.271 0.881 -11.199 123 HZ3 TRP 15 HZ3 TRP 15 -3.466 -0.793 -8.473 124 HH2 TRP 15 HH2 TRP 15 -4.024 0.052 -10.688 125 H ARG 16 HN ARG 16 -9.413 -2.905 -7.292 126 HA ARG 16 HA ARG 16 -11.614 -1.330 -8.214 127 HB2 ARG 16 HB2 ARG 16 -10.566 -3.939 -9.294 128 HB3 ARG 16 HB1 ARG 16 -11.708 -2.871 -10.107 129 HG2 ARG 16 HG2 ARG 16 -10.002 -1.066 -10.031 130 HG3 ARG 16 HG1 ARG 16 -8.891 -2.220 -9.338 131 HD2 ARG 16 HD2 ARG 16 -8.537 -1.916 -11.693 132 HD3 ARG 16 HD1 ARG 16 -8.967 -3.592 -11.322 133 HE ARG 16 HE ARG 16 -11.305 -2.252 -11.936 134 HH11 ARG 16 HH11 ARG 16 -8.320 -3.086 -13.706 135 HH12 ARG 16 HH12 ARG 16 -9.112 -3.170 -15.213 136 HH21 ARG 16 HH21 ARG 16 -12.322 -2.358 -13.987 137 HH22 ARG 16 HH22 ARG 16 -11.396 -2.713 -15.384 138 H LYS 17 HN LYS 17 -11.387 -3.993 -6.181 139 HA LYS 17 HA LYS 17 -14.127 -4.932 -6.553 140 HB2 LYS 17 HB2 LYS 17 -13.596 -6.325 -4.550 141 HB3 LYS 17 HB1 LYS 17 -12.497 -6.576 -5.912 142 HG2 LYS 17 HG2 LYS 17 -10.768 -5.546 -4.911 143 HG3 LYS 17 HG1 LYS 17 -11.752 -4.519 -3.908 144 HD2 LYS 17 HD2 LYS 17 -10.572 -6.070 -2.570 145 HD3 LYS 17 HD1 LYS 17 -12.273 -6.445 -2.521 146 HE2 LYS 17 HE2 LYS 17 -12.086 -8.300 -3.898 147 HE3 LYS 17 HE1 LYS 17 -10.508 -7.788 -4.505 148 HZ1 LYS 17 HZ1 LYS 17 -9.487 -8.379 -2.516 149 HZ2 LYS 17 HZ2 LYS 17 -10.466 -9.705 -2.892 150 HZ3 LYS 17 HZ3 LYS 17 -10.934 -8.617 -1.685 151 H LEU 18 HN LEU 18 -12.463 -2.586 -4.628 152 HA LEU 18 HA LEU 18 -14.493 -2.824 -2.621 153 HB2 LEU 18 HB2 LEU 18 -12.962 -1.555 -1.114 154 HB3 LEU 18 HB1 LEU 18 -12.369 -3.088 -1.733 155 HG LEU 18 HG LEU 18 -11.004 -1.795 -3.393 156 HD11 LEU 18 HD11 LEU 18 -10.440 0.514 -2.899 157 HD12 LEU 18 HD12 LEU 18 -11.678 0.550 -1.641 158 HD13 LEU 18 HD13 LEU 18 -12.142 0.341 -3.330 159 HD21 LEU 18 HD21 LEU 18 -9.278 -1.203 -1.787 160 HD22 LEU 18 HD22 LEU 18 -9.983 -2.790 -1.497 161 HD23 LEU 18 HD23 LEU 18 -10.432 -1.419 -0.468 162 H GLY 19 HN GLY 19 -15.023 -0.629 -1.471 163 HA2 GLY 19 HA2 GLY 19 -16.519 0.952 -3.181 164 HA3 GLY 19 HA1 GLY 19 -16.078 1.376 -1.539 165 H SER 20 HN SER 20 -16.303 2.862 -4.146 166 HA SER 20 HA SER 20 -13.848 3.632 -5.157 167 HB2 SER 20 HB2 SER 20 -16.418 5.198 -5.031 168 HB3 SER 20 HB1 SER 20 -15.084 5.471 -6.151 169 HG SER 20 HG SER 20 -17.070 3.591 -6.194 170 H THR 21 HN THR 21 -15.782 5.157 -2.537 171 HA THR 21 HA THR 21 -14.054 7.361 -2.255 172 HB THR 21 HB THR 21 -15.929 6.198 -0.179 173 HG1 THR 21 HG1 THR 21 -17.415 7.686 -1.136 174 HG21 THR 21 HG21 THR 21 -16.074 8.535 0.603 175 HG22 THR 21 HG22 THR 21 -14.939 9.027 -0.654 176 HG23 THR 21 HG23 THR 21 -14.404 7.969 0.647 177 H VAL 22 HN VAL 22 -14.088 4.137 -0.949 178 HA VAL 22 HA VAL 22 -12.224 4.484 1.138 179 HB VAL 22 HB VAL 22 -12.845 2.017 -0.533 180 HG11 VAL 22 HG11 VAL 22 -11.746 0.711 1.222 181 HG12 VAL 22 HG12 VAL 22 -11.295 2.200 2.047 182 HG13 VAL 22 HG13 VAL 22 -10.612 1.832 0.462 183 HG21 VAL 22 HG21 VAL 22 -14.744 2.781 0.795 184 HG22 VAL 22 HG22 VAL 22 -13.722 2.814 2.239 185 HG23 VAL 22 HG23 VAL 22 -14.081 1.283 1.460 186 H ARG 23 HN ARG 23 -11.839 3.625 -2.288 187 HA ARG 23 HA ARG 23 -9.023 3.303 -2.101 188 HB2 ARG 23 HB2 ARG 23 -8.971 2.944 -4.403 189 HB3 ARG 23 HB1 ARG 23 -10.613 2.454 -4.003 190 HG2 ARG 23 HG2 ARG 23 -11.430 4.616 -4.786 191 HG3 ARG 23 HG1 ARG 23 -9.779 5.109 -5.152 192 HD2 ARG 23 HD2 ARG 23 -9.704 3.036 -6.649 193 HD3 ARG 23 HD1 ARG 23 -11.455 3.015 -6.453 194 HE ARG 23 HE ARG 23 -10.519 5.577 -7.197 195 HH11 ARG 23 HH11 ARG 23 -11.538 2.422 -8.444 196 HH12 ARG 23 HH12 ARG 23 -11.663 2.911 -10.067 197 HH21 ARG 23 HH21 ARG 23 -10.657 6.271 -9.498 198 HH22 ARG 23 HH22 ARG 23 -11.147 5.146 -10.669 199 H GLU 24 HN GLU 24 -11.097 6.027 -2.631 200 HA GLU 24 HA GLU 24 -9.093 7.736 -3.661 201 HB2 GLU 24 HB2 GLU 24 -11.765 8.368 -2.432 202 HB3 GLU 24 HB1 GLU 24 -10.718 9.563 -3.180 203 HG2 GLU 24 HG2 GLU 24 -11.938 7.170 -4.544 204 HG3 GLU 24 HG1 GLU 24 -12.481 8.842 -4.718 205 H GLN 25 HN GLN 25 -10.203 7.008 -0.416 206 HA GLN 25 HA GLN 25 -8.801 9.112 0.899 207 HB2 GLN 25 HB2 GLN 25 -9.344 6.349 2.007 208 HB3 GLN 25 HB1 GLN 25 -8.965 7.787 2.929 209 HG2 GLN 25 HG2 GLN 25 -11.111 8.764 2.221 210 HG3 GLN 25 HG1 GLN 25 -11.486 7.261 1.372 211 HE21 GLN 25 HE21 GLN 25 -13.206 6.668 2.615 212 HE22 GLN 25 HE22 GLN 25 -13.090 6.221 4.266 213 H LEU 26 HN LEU 26 -8.023 5.842 -0.047 214 HA LEU 26 HA LEU 26 -5.451 5.652 1.049 215 HB2 LEU 26 HB2 LEU 26 -6.617 4.318 -1.392 216 HB3 LEU 26 HB1 LEU 26 -5.111 3.853 -0.627 217 HG LEU 26 HG LEU 26 -7.835 3.706 0.671 218 HD11 LEU 26 HD11 LEU 26 -7.603 1.299 0.447 219 HD12 LEU 26 HD12 LEU 26 -6.085 1.518 -0.418 220 HD13 LEU 26 HD13 LEU 26 -7.596 2.085 -1.132 221 HD21 LEU 26 HD21 LEU 26 -5.122 2.772 1.605 222 HD22 LEU 26 HD22 LEU 26 -6.653 2.395 2.393 223 HD23 LEU 26 HD23 LEU 26 -6.092 4.061 2.320 224 H LYS 27 HN LYS 27 -6.579 6.745 -2.084 225 HA LYS 27 HA LYS 27 -4.090 7.268 -3.267 226 HB2 LYS 27 HB2 LYS 27 -6.828 8.418 -3.755 227 HB3 LYS 27 HB1 LYS 27 -5.426 8.866 -4.718 228 HG2 LYS 27 HG2 LYS 27 -5.177 6.652 -5.555 229 HG3 LYS 27 HG1 LYS 27 -6.341 6.018 -4.391 230 HD2 LYS 27 HD2 LYS 27 -7.243 6.248 -6.707 231 HD3 LYS 27 HD1 LYS 27 -8.156 7.151 -5.501 232 HE2 LYS 27 HE2 LYS 27 -6.922 9.178 -6.164 233 HE3 LYS 27 HE1 LYS 27 -6.119 8.257 -7.440 234 HZ1 LYS 27 HZ1 LYS 27 -8.236 7.927 -8.518 235 HZ2 LYS 27 HZ2 LYS 27 -8.094 9.566 -8.148 236 HZ3 LYS 27 HZ3 LYS 27 -9.050 8.568 -7.180 237 H LYS 28 HN LYS 28 -6.128 9.250 -1.211 238 HA LYS 28 HA LYS 28 -4.668 11.659 -1.432 239 HB2 LYS 28 HB2 LYS 28 -6.751 10.590 0.308 240 HB3 LYS 28 HB1 LYS 28 -5.631 11.626 1.167 241 HG2 LYS 28 HG2 LYS 28 -7.477 12.959 0.505 242 HG3 LYS 28 HG1 LYS 28 -6.117 13.419 -0.497 243 HD2 LYS 28 HD2 LYS 28 -8.275 11.514 -1.410 244 HD3 LYS 28 HD1 LYS 28 -8.386 13.254 -1.622 245 HE2 LYS 28 HE2 LYS 28 -6.221 13.117 -2.906 246 HE3 LYS 28 HE1 LYS 28 -6.381 11.361 -2.835 247 HZ1 LYS 28 HZ1 LYS 28 -8.529 11.571 -3.995 248 HZ2 LYS 28 HZ2 LYS 28 -7.278 12.281 -4.896 249 HZ3 LYS 28 HZ3 LYS 28 -8.324 13.238 -4.027 250 H LYS 29 HN LYS 29 -4.376 8.909 0.748 251 HA LYS 29 HA LYS 29 -2.239 10.119 2.188 252 HB2 LYS 29 HB2 LYS 29 -3.184 7.252 2.160 253 HB3 LYS 29 HB1 LYS 29 -1.980 7.900 3.272 254 HG2 LYS 29 HG2 LYS 29 -4.862 8.775 3.070 255 HG3 LYS 29 HG1 LYS 29 -4.163 7.781 4.353 256 HD2 LYS 29 HD2 LYS 29 -2.747 9.609 5.062 257 HD3 LYS 29 HD1 LYS 29 -3.264 10.603 3.708 258 HE2 LYS 29 HE2 LYS 29 -5.535 10.583 4.571 259 HE3 LYS 29 HE1 LYS 29 -4.993 9.645 5.968 260 HZ1 LYS 29 HZ1 LYS 29 -5.079 12.032 6.499 261 HZ2 LYS 29 HZ2 LYS 29 -4.022 12.369 5.240 262 HZ3 LYS 29 HZ3 LYS 29 -3.499 11.478 6.546 263 H LEU 30 HN LEU 30 -2.439 8.173 -0.595 264 HA LEU 30 HA LEU 30 0.263 7.414 -0.656 265 HB2 LEU 30 HB2 LEU 30 -1.718 7.692 -2.901 266 HB3 LEU 30 HB1 LEU 30 -0.094 7.077 -3.127 267 HG LEU 30 HG LEU 30 -2.235 5.812 -1.406 268 HD11 LEU 30 HD11 LEU 30 -2.241 4.045 -3.096 269 HD12 LEU 30 HD12 LEU 30 -1.098 4.971 -4.065 270 HD13 LEU 30 HD13 LEU 30 -2.719 5.599 -3.777 271 HD21 LEU 30 HD21 LEU 30 -0.016 5.377 -0.497 272 HD22 LEU 30 HD22 LEU 30 0.557 4.877 -2.085 273 HD23 LEU 30 HD23 LEU 30 -0.663 3.920 -1.246 274 H VAL 31 HN VAL 31 -1.394 10.262 -1.984 275 HA VAL 31 HA VAL 31 0.907 11.167 -3.334 276 HB VAL 31 HB VAL 31 -1.369 12.050 -3.871 277 HG11 VAL 31 HG11 VAL 31 -2.315 13.910 -2.607 278 HG12 VAL 31 HG12 VAL 31 -1.068 13.690 -1.378 279 HG13 VAL 31 HG13 VAL 31 -2.252 12.417 -1.671 280 HG21 VAL 31 HG21 VAL 31 0.577 13.199 -4.744 281 HG22 VAL 31 HG22 VAL 31 0.698 14.163 -3.273 282 HG23 VAL 31 HG23 VAL 31 -0.683 14.368 -4.348 283 H GLU 32 HN GLU 32 -0.088 11.594 -0.014 284 HA GLU 32 HA GLU 32 2.008 13.490 0.444 285 HB2 GLU 32 HB2 GLU 32 1.435 13.258 2.877 286 HB3 GLU 32 HB1 GLU 32 0.115 13.774 1.843 287 HG2 GLU 32 HG2 GLU 32 -0.770 11.502 1.863 288 HG3 GLU 32 HG1 GLU 32 0.547 11.001 2.922 289 H VAL 33 HN VAL 33 1.877 10.028 0.456 290 HA VAL 33 HA VAL 33 4.373 9.893 1.936 291 HB VAL 33 HB VAL 33 4.363 7.541 1.759 292 HG11 VAL 33 HG11 VAL 33 2.150 6.856 2.390 293 HG12 VAL 33 HG12 VAL 33 1.620 8.442 1.765 294 HG13 VAL 33 HG13 VAL 33 2.697 8.374 3.176 295 HG21 VAL 33 HG21 VAL 33 2.953 6.227 0.272 296 HG22 VAL 33 HG22 VAL 33 4.064 7.279 -0.615 297 HG23 VAL 33 HG23 VAL 33 2.356 7.718 -0.480 298 H LEU 34 HN LEU 34 3.311 10.289 -1.178 299 HA LEU 34 HA LEU 34 5.621 9.373 -2.420 300 HB2 LEU 34 HB2 LEU 34 3.689 11.434 -3.514 301 HB3 LEU 34 HB1 LEU 34 4.960 10.682 -4.456 302 HG LEU 34 HG LEU 34 2.549 9.305 -3.265 303 HD11 LEU 34 HD11 LEU 34 3.314 9.748 -6.124 304 HD12 LEU 34 HD12 LEU 34 2.087 10.663 -5.245 305 HD13 LEU 34 HD13 LEU 34 1.867 8.932 -5.536 306 HD21 LEU 34 HD21 LEU 34 3.318 7.306 -4.440 307 HD22 LEU 34 HD22 LEU 34 4.449 7.816 -3.189 308 HD23 LEU 34 HD23 LEU 34 4.805 8.144 -4.885 309 H GLU 35 HN GLU 35 5.089 12.008 -0.535 310 HA GLU 35 HA GLU 35 7.286 13.684 -1.429 311 HB2 GLU 35 HB2 GLU 35 5.162 14.606 -0.432 312 HB3 GLU 35 HB1 GLU 35 5.590 13.824 1.079 313 HG2 GLU 35 HG2 GLU 35 6.180 16.107 1.296 314 HG3 GLU 35 HG1 GLU 35 7.686 15.219 1.077 315 H SER 36 HN SER 36 6.352 11.618 1.268 316 HA SER 36 HA SER 36 9.056 10.834 1.831 317 HB2 SER 36 HB2 SER 36 8.858 12.945 3.140 318 HB3 SER 36 HB1 SER 36 7.404 12.322 3.914 319 HG SER 36 HG SER 36 8.617 11.382 5.278 320 HA PRO 37 HA PRO 37 6.020 7.577 2.652 321 HB2 PRO 37 HB2 PRO 37 7.291 5.588 1.401 322 HB3 PRO 37 HB1 PRO 37 6.388 6.829 0.530 323 HG2 PRO 37 HG2 PRO 37 9.299 6.433 0.717 324 HG3 PRO 37 HG1 PRO 37 8.364 7.315 -0.496 325 HD2 PRO 37 HD2 PRO 37 9.796 8.343 1.771 326 HD3 PRO 37 HD1 PRO 37 8.911 9.256 0.525 327 H ARG 38 HN ARG 38 8.967 8.044 4.016 328 HA ARG 38 HA ARG 38 9.062 5.422 5.252 329 HB2 ARG 38 HB2 ARG 38 10.850 7.810 5.779 330 HB3 ARG 38 HB1 ARG 38 11.082 6.202 6.437 331 HG2 ARG 38 HG2 ARG 38 11.389 5.332 4.144 332 HG3 ARG 38 HG1 ARG 38 11.235 6.974 3.524 333 HD2 ARG 38 HD2 ARG 38 13.372 5.952 5.402 334 HD3 ARG 38 HD1 ARG 38 13.578 6.358 3.698 335 HE ARG 38 HE ARG 38 12.581 8.534 5.256 336 HH11 ARG 38 HH11 ARG 38 15.570 6.894 4.250 337 HH12 ARG 38 HH12 ARG 38 16.552 8.245 4.568 338 HH21 ARG 38 HH21 ARG 38 13.967 10.364 5.694 339 HH22 ARG 38 HH22 ARG 38 15.633 10.248 5.397 340 H ILE 39 HN ILE 39 7.121 5.431 6.264 341 HA ILE 39 HA ILE 39 6.862 7.251 8.548 342 HB ILE 39 HB ILE 39 4.654 5.591 7.280 343 HG12 ILE 39 HG12 ILE 39 5.234 8.533 6.834 344 HG13 ILE 39 HG11 ILE 39 5.531 7.263 5.647 345 HG21 ILE 39 HG21 ILE 39 4.291 6.260 9.603 346 HG22 ILE 39 HG22 ILE 39 3.170 7.107 8.531 347 HG23 ILE 39 HG23 ILE 39 4.580 7.946 9.177 348 HD11 ILE 39 HD11 ILE 39 3.157 6.809 5.529 349 HD12 ILE 39 HD12 ILE 39 3.507 8.504 5.173 350 HD13 ILE 39 HD13 ILE 39 2.847 8.048 6.747 351 H GLU 40 HN GLU 40 8.163 5.948 9.919 352 HA GLU 40 HA GLU 40 7.728 3.120 9.920 353 HB2 GLU 40 HB2 GLU 40 9.440 2.924 11.598 354 HB3 GLU 40 HB1 GLU 40 9.978 4.002 10.318 355 HG2 GLU 40 HG2 GLU 40 9.628 5.883 11.747 356 HG3 GLU 40 HG1 GLU 40 8.898 4.847 12.981 357 H ALA 41 HN ALA 41 6.172 5.598 11.376 358 HA ALA 41 HA ALA 41 5.268 4.264 13.722 359 HB1 ALA 41 HB1 ALA 41 3.456 5.937 13.706 360 HB2 ALA 41 HB2 ALA 41 3.957 6.447 12.091 361 HB3 ALA 41 HB3 ALA 41 5.037 6.685 13.467 362 H ASN 42 HN ASN 42 4.709 3.833 10.382 363 HA ASN 42 HA ASN 42 2.298 2.249 10.943 364 HB2 ASN 42 HB2 ASN 42 3.079 3.654 8.370 365 HB3 ASN 42 HB1 ASN 42 1.794 2.469 8.463 366 HD21 ASN 42 HD21 ASN 42 2.465 4.966 10.867 367 HD22 ASN 42 HD22 ASN 42 1.022 5.868 10.615 368 H LYS 43 HN LYS 43 5.437 1.721 10.704 369 HA LYS 43 HA LYS 43 5.742 -0.102 8.519 370 HB2 LYS 43 HB2 LYS 43 7.827 -0.771 9.513 371 HB3 LYS 43 HB1 LYS 43 7.648 0.973 9.602 372 HG2 LYS 43 HG2 LYS 43 6.974 0.740 11.970 373 HG3 LYS 43 HG1 LYS 43 7.305 -0.992 11.853 374 HD2 LYS 43 HD2 LYS 43 9.588 -0.610 11.387 375 HD3 LYS 43 HD1 LYS 43 9.344 1.113 11.174 376 HE2 LYS 43 HE2 LYS 43 8.644 1.198 13.598 377 HE3 LYS 43 HE1 LYS 43 9.149 -0.485 13.725 378 HZ1 LYS 43 HZ1 LYS 43 11.383 0.271 12.942 379 HZ2 LYS 43 HZ2 LYS 43 10.929 0.856 14.453 380 HZ3 LYS 43 HZ3 LYS 43 10.866 1.875 13.135 381 H LEU 44 HN LEU 44 6.007 -2.293 8.489 382 HA LEU 44 HA LEU 44 4.178 -3.749 10.158 383 HB2 LEU 44 HB2 LEU 44 5.852 -4.435 7.771 384 HB3 LEU 44 HB1 LEU 44 5.005 -5.658 8.694 385 HG LEU 44 HG LEU 44 3.651 -3.345 7.286 386 HD11 LEU 44 HD11 LEU 44 3.949 -6.238 6.475 387 HD12 LEU 44 HD12 LEU 44 4.744 -4.869 5.699 388 HD13 LEU 44 HD13 LEU 44 2.989 -5.023 5.634 389 HD21 LEU 44 HD21 LEU 44 2.436 -4.324 9.223 390 HD22 LEU 44 HD22 LEU 44 2.557 -5.901 8.453 391 HD23 LEU 44 HD23 LEU 44 1.628 -4.617 7.684 392 H ARG 45 HN ARG 45 4.706 -5.269 11.518 393 HA ARG 45 HA ARG 45 7.251 -5.110 12.793 394 HB2 ARG 45 HB2 ARG 45 5.307 -5.464 14.179 395 HB3 ARG 45 HB1 ARG 45 4.874 -6.900 13.275 396 HG2 ARG 45 HG2 ARG 45 6.749 -8.101 14.156 397 HG3 ARG 45 HG1 ARG 45 7.352 -6.642 14.946 398 HD2 ARG 45 HD2 ARG 45 6.155 -8.277 16.430 399 HD3 ARG 45 HD1 ARG 45 5.555 -6.629 16.489 400 HE ARG 45 HE ARG 45 3.774 -7.401 14.948 401 HH11 ARG 45 HH11 ARG 45 5.360 -9.767 17.074 402 HH12 ARG 45 HH12 ARG 45 4.018 -10.791 17.150 403 HH21 ARG 45 HH21 ARG 45 1.898 -8.805 15.150 404 HH22 ARG 45 HH22 ARG 45 2.049 -10.259 16.050 405 H GLY 46 HN GLY 46 8.849 -5.778 11.526 406 HA2 GLY 46 HA2 GLY 46 10.317 -7.700 11.323 407 HA3 GLY 46 HA1 GLY 46 8.897 -8.668 10.964 408 H MET 47 HN MET 47 8.502 -5.822 9.342 409 HA MET 47 HA MET 47 9.982 -6.815 7.020 410 HB2 MET 47 HB2 MET 47 7.099 -5.906 7.022 411 HB3 MET 47 HB1 MET 47 8.044 -6.156 5.563 412 HG2 MET 47 HG2 MET 47 7.537 -8.288 7.616 413 HG3 MET 47 HG1 MET 47 6.515 -8.029 6.209 414 HE1 MET 47 HE1 MET 47 8.670 -9.090 3.238 415 HE2 MET 47 HE2 MET 47 8.325 -7.457 3.831 416 HE3 MET 47 HE3 MET 47 7.072 -8.702 3.887 417 HA PRO 48 HA PRO 48 11.215 -2.508 7.519 418 HB2 PRO 48 HB2 PRO 48 13.361 -2.685 5.847 419 HB3 PRO 48 HB1 PRO 48 13.418 -3.181 7.540 420 HG2 PRO 48 HG2 PRO 48 13.092 -4.849 5.084 421 HG3 PRO 48 HG1 PRO 48 14.054 -5.173 6.539 422 HD2 PRO 48 HD2 PRO 48 11.662 -6.324 6.090 423 HD3 PRO 48 HD1 PRO 48 12.231 -5.929 7.726 424 H ASP 49 HN ASP 49 10.775 -0.788 6.396 425 HA ASP 49 HA ASP 49 9.975 0.595 4.874 426 HB2 ASP 49 HB2 ASP 49 11.605 -1.129 3.028 427 HB3 ASP 49 HB1 ASP 49 10.704 0.265 2.440 428 H CYS 50 HN CYS 50 8.529 -1.951 5.470 429 HA CYS 50 HA CYS 50 6.540 -1.630 3.348 430 HB2 CYS 50 HB2 CYS 50 6.877 -3.908 5.323 431 HB3 CYS 50 HB1 CYS 50 5.703 -3.827 4.010 432 HG CYS 50 HG CYS 50 9.045 -3.794 3.483 433 H TYR 51 HN TYR 51 4.784 -0.576 4.009 434 HA TYR 51 HA TYR 51 4.334 -0.269 6.895 435 HB2 TYR 51 HB2 TYR 51 4.058 1.957 4.855 436 HB3 TYR 51 HB1 TYR 51 3.963 2.093 6.606 437 HD1 TYR 51 HD1 TYR 51 6.076 1.849 7.956 438 HD2 TYR 51 HD2 TYR 51 6.150 2.066 3.723 439 HE1 TYR 51 HE1 TYR 51 8.479 2.354 8.023 440 HE2 TYR 51 HE2 TYR 51 8.554 2.582 3.794 441 HH TYR 51 HH TYR 51 10.270 3.255 5.165 442 H LYS 52 HN LYS 52 2.093 0.185 7.384 443 HA LYS 52 HA LYS 52 0.304 -0.234 5.154 444 HB2 LYS 52 HB2 LYS 52 -1.099 -1.779 6.314 445 HB3 LYS 52 HB1 LYS 52 0.531 -2.384 6.479 446 HG2 LYS 52 HG2 LYS 52 -0.936 -0.856 8.631 447 HG3 LYS 52 HG1 LYS 52 -0.921 -2.607 8.509 448 HD2 LYS 52 HD2 LYS 52 1.494 -2.615 8.858 449 HD3 LYS 52 HD1 LYS 52 1.511 -0.852 8.885 450 HE2 LYS 52 HE2 LYS 52 0.147 -0.803 10.862 451 HE3 LYS 52 HE1 LYS 52 -0.088 -2.547 10.756 452 HZ1 LYS 52 HZ1 LYS 52 2.606 -1.323 11.210 453 HZ2 LYS 52 HZ2 LYS 52 2.150 -2.932 11.432 454 HZ3 LYS 52 HZ3 LYS 52 1.557 -1.759 12.448 455 H ILE 53 HN ILE 53 -0.972 1.376 4.957 456 HA ILE 53 HA ILE 53 -1.476 3.044 7.293 457 HB ILE 53 HB ILE 53 -2.195 3.647 4.403 458 HG12 ILE 53 HG12 ILE 53 0.170 4.621 6.044 459 HG13 ILE 53 HG11 ILE 53 0.248 3.418 4.772 460 HG21 ILE 53 HG21 ILE 53 -3.525 4.795 6.109 461 HG22 ILE 53 HG22 ILE 53 -2.460 5.965 5.302 462 HG23 ILE 53 HG23 ILE 53 -2.062 5.330 6.911 463 HD11 ILE 53 HD11 ILE 53 -0.565 6.294 4.402 464 HD12 ILE 53 HD12 ILE 53 -0.458 5.071 3.135 465 HD13 ILE 53 HD13 ILE 53 0.999 5.589 3.984 466 H LYS 54 HN LYS 54 -3.549 3.338 8.039 467 HA LYS 54 HA LYS 54 -5.523 1.496 6.907 468 HB2 LYS 54 HB2 LYS 54 -4.913 2.116 9.774 469 HB3 LYS 54 HB1 LYS 54 -6.228 1.087 9.213 470 HG2 LYS 54 HG2 LYS 54 -4.769 -0.562 8.444 471 HG3 LYS 54 HG1 LYS 54 -3.387 0.534 8.451 472 HD2 LYS 54 HD2 LYS 54 -3.214 -1.008 10.279 473 HD3 LYS 54 HD1 LYS 54 -3.505 0.645 10.838 474 HE2 LYS 54 HE2 LYS 54 -5.834 0.154 11.260 475 HE3 LYS 54 HE1 LYS 54 -5.667 -1.453 10.559 476 HZ1 LYS 54 HZ1 LYS 54 -4.242 -2.087 12.345 477 HZ2 LYS 54 HZ2 LYS 54 -5.641 -1.427 13.008 478 HZ3 LYS 54 HZ3 LYS 54 -4.230 -0.524 12.971 479 H LEU 55 HN LEU 55 -7.503 2.192 6.722 480 HA LEU 55 HA LEU 55 -8.077 4.997 7.210 481 HB2 LEU 55 HB2 LEU 55 -9.720 2.895 5.784 482 HB3 LEU 55 HB1 LEU 55 -10.057 4.605 5.836 483 HG LEU 55 HG LEU 55 -7.719 3.302 4.468 484 HD11 LEU 55 HD11 LEU 55 -9.802 2.917 3.340 485 HD12 LEU 55 HD12 LEU 55 -8.833 4.081 2.436 486 HD13 LEU 55 HD13 LEU 55 -10.195 4.632 3.411 487 HD21 LEU 55 HD21 LEU 55 -7.251 5.555 3.587 488 HD22 LEU 55 HD22 LEU 55 -7.087 5.492 5.340 489 HD23 LEU 55 HD23 LEU 55 -8.526 6.210 4.615 490 H ARG 56 HN ARG 56 -8.824 5.417 9.047 491 HA ARG 56 HA ARG 56 -9.594 3.621 11.060 492 HB2 ARG 56 HB2 ARG 56 -10.330 6.530 10.960 493 HB3 ARG 56 HB1 ARG 56 -10.045 5.536 12.379 494 HG2 ARG 56 HG2 ARG 56 -7.696 5.373 11.846 495 HG3 ARG 56 HG1 ARG 56 -7.947 6.262 10.350 496 HD2 ARG 56 HD2 ARG 56 -8.805 8.168 11.747 497 HD3 ARG 56 HD1 ARG 56 -8.238 7.278 13.160 498 HE ARG 56 HE ARG 56 -6.171 7.425 11.303 499 HH11 ARG 56 HH11 ARG 56 -7.890 9.491 13.595 500 HH12 ARG 56 HH12 ARG 56 -6.667 10.663 13.689 501 HH21 ARG 56 HH21 ARG 56 -4.468 9.034 11.426 502 HH22 ARG 56 HH22 ARG 56 -4.672 10.388 12.429 503 H SER 57 HN SER 57 -11.500 5.610 8.873 504 HA SER 57 HA SER 57 -13.994 4.934 10.139 505 HB2 SER 57 HB2 SER 57 -13.423 6.468 7.605 506 HB3 SER 57 HB1 SER 57 -14.930 6.454 8.521 507 HG SER 57 HG SER 57 -13.752 7.332 10.281 508 H SER 58 HN SER 58 -12.048 3.215 8.101 509 HA SER 58 HA SER 58 -14.396 2.103 6.744 510 HB2 SER 58 HB2 SER 58 -11.658 2.379 5.501 511 HB3 SER 58 HB1 SER 58 -13.125 1.787 4.719 512 HG SER 58 HG SER 58 -13.981 3.976 5.425 513 H GLY 59 HN GLY 59 -11.258 1.370 8.251 514 HA2 GLY 59 HA2 GLY 59 -10.698 -0.631 9.312 515 HA3 GLY 59 HA1 GLY 59 -12.129 -1.386 8.611 516 H TYR 60 HN TYR 60 -10.276 0.397 6.497 517 HA TYR 60 HA TYR 60 -9.357 -2.012 5.156 518 HB2 TYR 60 HB2 TYR 60 -9.972 0.759 4.224 519 HB3 TYR 60 HB1 TYR 60 -8.943 -0.297 3.261 520 HD1 TYR 60 HD2 TYR 60 -12.292 -0.227 4.920 521 HD2 TYR 60 HD1 TYR 60 -9.877 -1.752 1.803 522 HE1 TYR 60 HE2 TYR 60 -14.259 -1.342 3.961 523 HE2 TYR 60 HE1 TYR 60 -11.825 -2.892 0.830 524 HH TYR 60 HH TYR 60 -15.007 -2.265 1.908 525 H ARG 61 HN ARG 61 -7.222 -2.027 4.203 526 HA ARG 61 HA ARG 61 -5.388 -0.076 5.292 527 HB2 ARG 61 HB2 ARG 61 -3.713 -1.889 5.762 528 HB3 ARG 61 HB1 ARG 61 -5.083 -1.854 6.860 529 HG2 ARG 61 HG2 ARG 61 -5.292 -3.654 4.522 530 HG3 ARG 61 HG1 ARG 61 -4.161 -4.114 5.804 531 HD2 ARG 61 HD2 ARG 61 -7.058 -3.398 6.199 532 HD3 ARG 61 HD1 ARG 61 -6.424 -5.041 6.039 533 HE ARG 61 HE ARG 61 -4.954 -3.908 8.051 534 HH11 ARG 61 HH11 ARG 61 -8.462 -4.287 7.618 535 HH12 ARG 61 HH12 ARG 61 -8.742 -4.679 9.232 536 HH21 ARG 61 HH21 ARG 61 -5.376 -4.336 10.306 537 HH22 ARG 61 HH22 ARG 61 -6.964 -4.693 10.788 538 H LEU 62 HN LEU 62 -3.400 -0.104 4.249 539 HA LEU 62 HA LEU 62 -3.268 -1.354 1.634 540 HB2 LEU 62 HB2 LEU 62 -4.200 0.905 1.301 541 HB3 LEU 62 HB1 LEU 62 -2.876 1.611 2.191 542 HG LEU 62 HG LEU 62 -2.422 0.135 -0.414 543 HD11 LEU 62 HD11 LEU 62 -2.500 2.310 -1.527 544 HD12 LEU 62 HD12 LEU 62 -3.033 3.063 -0.024 545 HD13 LEU 62 HD13 LEU 62 -4.061 1.879 -0.840 546 HD21 LEU 62 HD21 LEU 62 -0.883 2.325 0.991 547 HD22 LEU 62 HD22 LEU 62 -0.444 1.566 -0.539 548 HD23 LEU 62 HD23 LEU 62 -0.441 0.617 0.950 549 H VAL 63 HN VAL 63 -1.481 -2.410 1.600 550 HA VAL 63 HA VAL 63 0.747 -1.712 3.379 551 HB VAL 63 HB VAL 63 0.263 -4.283 1.863 552 HG11 VAL 63 HG11 VAL 63 1.870 -5.255 3.444 553 HG12 VAL 63 HG12 VAL 63 2.127 -3.648 4.132 554 HG13 VAL 63 HG13 VAL 63 2.561 -3.970 2.453 555 HG21 VAL 63 HG21 VAL 63 -0.500 -5.267 3.996 556 HG22 VAL 63 HG22 VAL 63 -1.566 -3.996 3.402 557 HG23 VAL 63 HG23 VAL 63 -0.447 -3.657 4.726 558 H TYR 64 HN TYR 64 2.517 -0.912 2.396 559 HA TYR 64 HA TYR 64 2.992 -1.541 -0.420 560 HB2 TYR 64 HB2 TYR 64 3.528 0.783 -0.928 561 HB3 TYR 64 HB1 TYR 64 1.880 0.676 -0.331 562 HD1 TYR 64 HD2 TYR 64 1.319 1.577 1.919 563 HD2 TYR 64 HD1 TYR 64 5.227 2.003 0.288 564 HE1 TYR 64 HE2 TYR 64 1.831 3.306 3.585 565 HE2 TYR 64 HE1 TYR 64 5.739 3.726 1.951 566 HH TYR 64 HH TYR 64 4.616 5.280 3.406 567 H GLN 65 HN GLN 65 5.227 -1.091 -1.019 568 HA GLN 65 HA GLN 65 7.022 -0.905 1.266 569 HB2 GLN 65 HB2 GLN 65 7.119 -3.199 0.457 570 HB3 GLN 65 HB1 GLN 65 7.399 -2.638 -1.189 571 HG2 GLN 65 HG2 GLN 65 9.534 -1.659 -0.509 572 HG3 GLN 65 HG1 GLN 65 9.251 -2.175 1.146 573 HE21 GLN 65 HE21 GLN 65 8.183 -4.669 0.413 574 HE22 GLN 65 HE22 GLN 65 9.483 -5.681 -0.129 575 H VAL 66 HN VAL 66 8.711 0.340 1.020 576 HA VAL 66 HA VAL 66 8.580 2.240 -1.193 577 HB VAL 66 HB VAL 66 10.300 2.333 1.307 578 HG11 VAL 66 HG11 VAL 66 10.617 4.692 0.762 579 HG12 VAL 66 HG12 VAL 66 9.656 4.498 -0.696 580 HG13 VAL 66 HG13 VAL 66 11.214 3.674 -0.551 581 HG21 VAL 66 HG21 VAL 66 8.682 3.989 2.111 582 HG22 VAL 66 HG22 VAL 66 7.937 2.406 1.831 583 HG23 VAL 66 HG23 VAL 66 7.708 3.705 0.666 584 H ILE 67 HN ILE 67 9.589 1.542 -2.914 585 HA ILE 67 HA ILE 67 12.139 0.114 -2.651 586 HB ILE 67 HB ILE 67 10.499 0.620 -5.139 587 HG12 ILE 67 HG12 ILE 67 10.539 -1.836 -3.349 588 HG13 ILE 67 HG11 ILE 67 9.187 -0.732 -3.554 589 HG21 ILE 67 HG21 ILE 67 12.734 -1.340 -4.540 590 HG22 ILE 67 HG22 ILE 67 12.862 0.113 -5.533 591 HG23 ILE 67 HG23 ILE 67 11.858 -1.234 -6.069 592 HD11 ILE 67 HD11 ILE 67 8.846 -2.791 -4.797 593 HD12 ILE 67 HD12 ILE 67 10.349 -2.518 -5.683 594 HD13 ILE 67 HD13 ILE 67 8.989 -1.416 -5.894 595 H ASP 68 HN ASP 68 13.839 1.459 -2.670 596 HA ASP 68 HA ASP 68 13.498 4.135 -3.702 597 HB2 ASP 68 HB2 ASP 68 14.615 3.754 -1.534 598 HB3 ASP 68 HB1 ASP 68 15.898 2.888 -2.370 599 H GLU 69 HN GLU 69 15.078 1.205 -4.687 600 HA GLU 69 HA GLU 69 16.789 2.363 -6.622 601 HB2 GLU 69 HB2 GLU 69 16.913 0.072 -7.635 602 HB3 GLU 69 HB1 GLU 69 17.275 0.127 -5.921 603 HG2 GLU 69 HG2 GLU 69 15.086 -0.750 -5.390 604 HG3 GLU 69 HG1 GLU 69 14.641 -0.690 -7.091 605 H LYS 70 HN LYS 70 13.470 1.352 -6.800 606 HA LYS 70 HA LYS 70 13.352 1.978 -9.677 607 HB2 LYS 70 HB2 LYS 70 11.280 0.829 -7.833 608 HB3 LYS 70 HB1 LYS 70 11.061 0.986 -9.569 609 HG2 LYS 70 HG2 LYS 70 13.003 -0.577 -9.840 610 HG3 LYS 70 HG1 LYS 70 13.039 -0.732 -8.086 611 HD2 LYS 70 HD2 LYS 70 10.627 -1.465 -8.230 612 HD3 LYS 70 HD1 LYS 70 10.880 -1.618 -9.970 613 HE2 LYS 70 HE2 LYS 70 12.442 -2.990 -7.816 614 HE3 LYS 70 HE1 LYS 70 11.209 -3.754 -8.829 615 HZ1 LYS 70 HZ1 LYS 70 12.696 -3.268 -10.759 616 HZ2 LYS 70 HZ2 LYS 70 13.350 -4.320 -9.646 617 HZ3 LYS 70 HZ3 LYS 70 13.882 -2.725 -9.677 618 H VAL 71 HN VAL 71 12.772 3.241 -6.649 619 HA VAL 71 HA VAL 71 11.922 5.064 -5.760 620 HB VAL 71 HB VAL 71 11.776 6.275 -8.547 621 HG11 VAL 71 HG11 VAL 71 12.081 7.478 -5.818 622 HG12 VAL 71 HG12 VAL 71 10.646 7.466 -6.845 623 HG13 VAL 71 HG13 VAL 71 12.074 8.393 -7.344 624 HG21 VAL 71 HG21 VAL 71 14.019 5.391 -8.164 625 HG22 VAL 71 HG22 VAL 71 14.099 6.289 -6.643 626 HG23 VAL 71 HG23 VAL 71 14.005 7.158 -8.181 627 H VAL 72 HN VAL 72 10.165 3.396 -5.619 628 HA VAL 72 HA VAL 72 7.712 4.594 -6.591 629 HB VAL 72 HB VAL 72 6.803 2.357 -7.230 630 HG11 VAL 72 HG11 VAL 72 7.853 2.221 -9.448 631 HG12 VAL 72 HG12 VAL 72 9.088 3.363 -8.906 632 HG13 VAL 72 HG13 VAL 72 7.396 3.856 -8.988 633 HG21 VAL 72 HG21 VAL 72 9.669 1.558 -7.071 634 HG22 VAL 72 HG22 VAL 72 8.416 0.591 -7.862 635 HG23 VAL 72 HG23 VAL 72 8.332 0.907 -6.120 636 H VAL 73 HN VAL 73 6.010 4.243 -5.346 637 HA VAL 73 HA VAL 73 6.327 2.781 -2.875 638 HB VAL 73 HB VAL 73 4.153 4.654 -3.915 639 HG11 VAL 73 HG11 VAL 73 3.169 2.924 -2.472 640 HG12 VAL 73 HG12 VAL 73 3.141 4.507 -1.696 641 HG13 VAL 73 HG13 VAL 73 4.346 3.311 -1.216 642 HG21 VAL 73 HG21 VAL 73 4.915 6.115 -2.107 643 HG22 VAL 73 HG22 VAL 73 6.170 5.788 -3.302 644 HG23 VAL 73 HG23 VAL 73 6.206 4.965 -1.741 645 H PHE 74 HN PHE 74 6.166 0.753 -3.391 646 HA PHE 74 HA PHE 74 4.354 -0.110 -5.469 647 HB2 PHE 74 HB2 PHE 74 6.611 -0.932 -5.584 648 HB3 PHE 74 HB1 PHE 74 6.537 -1.516 -3.930 649 HD1 PHE 74 HD1 PHE 74 4.143 -1.938 -6.763 650 HD2 PHE 74 HD2 PHE 74 6.844 -3.787 -4.048 651 HE1 PHE 74 HE1 PHE 74 3.479 -4.135 -7.597 652 HE2 PHE 74 HE2 PHE 74 6.171 -5.997 -4.886 653 HZ PHE 74 HZ PHE 74 4.482 -6.167 -6.662 654 H VAL 75 HN VAL 75 2.397 -0.127 -4.736 655 HA VAL 75 HA VAL 75 1.698 -1.023 -2.120 656 HB VAL 75 HB VAL 75 -0.121 -0.514 -4.473 657 HG11 VAL 75 HG11 VAL 75 -0.646 -0.606 -1.512 658 HG12 VAL 75 HG12 VAL 75 -1.172 -1.789 -2.710 659 HG13 VAL 75 HG13 VAL 75 -1.823 -0.149 -2.740 660 HG21 VAL 75 HG21 VAL 75 0.795 1.397 -2.319 661 HG22 VAL 75 HG22 VAL 75 -0.460 1.725 -3.514 662 HG23 VAL 75 HG23 VAL 75 1.204 1.467 -4.033 663 H ILE 76 HN ILE 76 1.613 -2.995 -1.605 664 HA ILE 76 HA ILE 76 1.479 -5.086 -3.607 665 HB ILE 76 HB ILE 76 2.360 -5.032 -0.724 666 HG12 ILE 76 HG12 ILE 76 3.866 -5.510 -3.296 667 HG13 ILE 76 HG11 ILE 76 3.780 -3.973 -2.453 668 HG21 ILE 76 HG21 ILE 76 1.368 -7.228 -1.066 669 HG22 ILE 76 HG22 ILE 76 3.117 -7.389 -1.061 670 HG23 ILE 76 HG23 ILE 76 2.237 -7.414 -2.588 671 HD11 ILE 76 HD11 ILE 76 5.011 -6.506 -1.415 672 HD12 ILE 76 HD12 ILE 76 4.952 -4.960 -0.560 673 HD13 ILE 76 HD13 ILE 76 5.867 -5.110 -2.060 674 H SER 77 HN SER 77 -0.281 -3.935 -0.752 675 HA SER 77 HA SER 77 -2.400 -5.779 -1.541 676 HB2 SER 77 HB2 SER 77 -1.467 -5.411 1.313 677 HB3 SER 77 HB1 SER 77 -2.789 -6.445 0.767 678 HG SER 77 HG SER 77 -0.716 -7.068 -0.685 679 H VAL 78 HN VAL 78 -4.455 -5.010 -1.266 680 HA VAL 78 HA VAL 78 -4.875 -2.446 0.051 681 HB VAL 78 HB VAL 78 -5.956 -3.098 -2.729 682 HG11 VAL 78 HG11 VAL 78 -6.105 -0.549 -1.160 683 HG12 VAL 78 HG12 VAL 78 -7.400 -1.716 -1.385 684 HG13 VAL 78 HG13 VAL 78 -6.771 -0.822 -2.775 685 HG21 VAL 78 HG21 VAL 78 -3.572 -2.627 -2.918 686 HG22 VAL 78 HG22 VAL 78 -3.797 -1.116 -2.039 687 HG23 VAL 78 HG23 VAL 78 -4.533 -1.329 -3.631 688 H GLY 79 HN GLY 79 -6.847 -2.540 1.125 689 HA2 GLY 79 HA2 GLY 79 -9.225 -3.298 0.851 690 HA3 GLY 79 HA1 GLY 79 -8.531 -4.855 0.450 691 H LYS 80 HN LYS 80 -9.816 -5.699 2.182 692 HA LYS 80 HA LYS 80 -8.658 -5.087 4.785 693 HB2 LYS 80 HB2 LYS 80 -11.230 -6.540 4.121 694 HB3 LYS 80 HB1 LYS 80 -10.578 -6.333 5.740 695 HG2 LYS 80 HG2 LYS 80 -10.771 -3.889 5.472 696 HG3 LYS 80 HG1 LYS 80 -11.505 -4.143 3.890 697 HD2 LYS 80 HD2 LYS 80 -13.223 -3.744 5.542 698 HD3 LYS 80 HD1 LYS 80 -13.335 -5.414 4.982 699 HE2 LYS 80 HE2 LYS 80 -12.140 -6.160 7.009 700 HE3 LYS 80 HE1 LYS 80 -12.024 -4.487 7.551 701 HZ1 LYS 80 HZ1 LYS 80 -14.444 -4.421 7.700 702 HZ2 LYS 80 HZ2 LYS 80 -13.842 -5.701 8.611 703 HZ3 LYS 80 HZ3 LYS 80 -14.541 -5.997 7.126 704 H ALA 81 HN ALA 81 -7.851 -6.675 6.037 705 HA ALA 81 HA ALA 81 -6.768 -8.948 4.594 706 HB1 ALA 81 HB1 ALA 81 -5.378 -9.156 6.602 707 HB2 ALA 81 HB2 ALA 81 -6.281 -7.837 7.357 708 HB3 ALA 81 HB3 ALA 81 -5.300 -7.531 5.930 709 H GLU 82 HN GLU 82 -6.523 -10.628 6.806 710 HA GLU 82 HA GLU 82 -9.052 -11.946 6.371 711 HB2 GLU 82 HB2 GLU 82 -6.572 -12.872 6.257 712 HB3 GLU 82 HB1 GLU 82 -6.823 -13.129 7.975 713 HG2 GLU 82 HG2 GLU 82 -8.854 -14.138 6.065 714 HG3 GLU 82 HG1 GLU 82 -7.319 -15.004 6.205 715 H ALA 83 HN ALA 83 -10.621 -12.062 7.810 716 HA ALA 83 HA ALA 83 -10.023 -11.656 10.642 717 HB1 ALA 83 HB1 ALA 83 -12.085 -10.080 9.139 718 HB2 ALA 83 HB2 ALA 83 -10.552 -9.453 9.765 719 HB3 ALA 83 HB3 ALA 83 -11.810 -10.018 10.883 720 H SER 84 HN SER 84 -10.914 -13.877 8.927 721 HA SER 84 HA SER 84 -13.594 -14.309 10.034 722 HB2 SER 84 HB2 SER 84 -13.493 -14.092 7.546 723 HB3 SER 84 HB1 SER 84 -12.419 -15.485 7.501 724 HG SER 84 HG SER 84 -14.002 -16.785 8.035 725 H GLU 85 HN GLU 85 -10.461 -15.771 9.337 726 HA GLU 85 HA GLU 85 -11.194 -17.988 11.164 727 HB2 GLU 85 HB2 GLU 85 -9.560 -18.199 8.644 728 HB3 GLU 85 HB1 GLU 85 -9.519 -19.417 9.896 729 HG2 GLU 85 HG2 GLU 85 -10.972 -20.221 8.221 730 HG3 GLU 85 HG1 GLU 85 -11.993 -19.699 9.543 731 H VAL 86 HN VAL 86 -8.670 -15.849 10.099 732 HA VAL 86 HA VAL 86 -6.424 -16.913 11.089 733 HB VAL 86 HB VAL 86 -6.521 -14.872 9.764 734 HG11 VAL 86 HG11 VAL 86 -7.273 -13.470 12.307 735 HG12 VAL 86 HG12 VAL 86 -8.279 -13.687 10.876 736 HG13 VAL 86 HG13 VAL 86 -6.831 -12.686 10.788 737 HG21 VAL 86 HG21 VAL 86 -4.611 -13.690 10.787 738 HG22 VAL 86 HG22 VAL 86 -4.417 -15.440 10.805 739 HG23 VAL 86 HG23 VAL 86 -4.881 -14.593 12.280 740 H TYR 87 HN TYR 87 -8.720 -15.153 13.093 741 HA TYR 87 HA TYR 87 -7.074 -15.053 15.410 742 HB2 TYR 87 HB2 TYR 87 -9.179 -14.463 16.641 743 HB3 TYR 87 HB1 TYR 87 -8.865 -13.454 15.236 744 HD1 TYR 87 HD1 TYR 87 -11.061 -16.013 16.682 745 HD2 TYR 87 HD2 TYR 87 -10.298 -13.581 13.277 746 HE1 TYR 87 HE1 TYR 87 -13.301 -16.531 15.813 747 HE2 TYR 87 HE2 TYR 87 -12.527 -14.086 12.409 748 HH TYR 87 HH TYR 87 -14.170 -15.990 12.657 749 H SER 88 HN SER 88 -8.947 -17.562 14.054 750 HA SER 88 HA SER 88 -8.991 -19.044 16.546 751 HB2 SER 88 HB2 SER 88 -10.991 -19.082 15.049 752 HB3 SER 88 HB1 SER 88 -10.009 -19.834 13.795 753 HG SER 88 HG SER 88 -10.020 -21.656 14.830 754 H GLU 89 HN GLU 89 -7.405 -18.848 13.456 755 HA GLU 89 HA GLU 89 -5.950 -21.255 13.506 756 HB2 GLU 89 HB2 GLU 89 -5.391 -18.596 12.214 757 HB3 GLU 89 HB1 GLU 89 -4.391 -20.015 11.953 758 HG2 GLU 89 HG2 GLU 89 -7.324 -19.810 11.320 759 HG3 GLU 89 HG1 GLU 89 -6.006 -19.662 10.154 760 H ALA 90 HN ALA 90 -5.253 -18.025 14.668 761 HA ALA 90 HA ALA 90 -2.676 -18.475 15.682 762 HB1 ALA 90 HB1 ALA 90 -3.114 -16.475 17.044 763 HB2 ALA 90 HB2 ALA 90 -4.823 -16.568 16.619 764 HB3 ALA 90 HB3 ALA 90 -3.622 -16.240 15.370 765 H VAL 91 HN VAL 91 -2.017 -19.070 17.779 766 HA VAL 91 HA VAL 91 -3.940 -20.849 18.884 767 HB VAL 91 HB VAL 91 -2.235 -21.729 20.378 768 HG11 VAL 91 HG11 VAL 91 -2.634 -22.786 18.257 769 HG12 VAL 91 HG12 VAL 91 -0.899 -22.836 18.579 770 HG13 VAL 91 HG13 VAL 91 -1.554 -21.659 17.440 771 HG21 VAL 91 HG21 VAL 91 -0.757 -19.792 20.602 772 HG22 VAL 91 HG22 VAL 91 -0.331 -19.897 18.894 773 HG23 VAL 91 HG23 VAL 91 0.153 -21.178 20.006 774 H LYS 92 HN LYS 92 -5.346 -20.029 19.837 775 HA LYS 92 HA LYS 92 -5.183 -18.027 21.913 776 HB2 LYS 92 HB2 LYS 92 -7.695 -18.558 22.023 777 HB3 LYS 92 HB1 LYS 92 -7.075 -17.882 20.516 778 HG2 LYS 92 HG2 LYS 92 -6.942 -20.163 19.582 779 HG3 LYS 92 HG1 LYS 92 -7.649 -20.780 21.075 780 HD2 LYS 92 HD2 LYS 92 -9.695 -19.712 20.611 781 HD3 LYS 92 HD1 LYS 92 -8.974 -18.748 19.312 782 HE2 LYS 92 HE2 LYS 92 -8.517 -20.745 18.039 783 HE3 LYS 92 HE1 LYS 92 -9.131 -21.744 19.331 784 HZ1 LYS 92 HZ1 LYS 92 -10.823 -19.724 17.973 785 HZ2 LYS 92 HZ2 LYS 92 -11.325 -20.987 18.981 786 HZ3 LYS 92 HZ3 LYS 92 -10.734 -21.314 17.444 787 H ARG 93 HN ARG 93 -4.158 -20.941 22.028 788 HA ARG 93 HA ARG 93 -5.456 -21.921 24.442 789 HB2 ARG 93 HB2 ARG 93 -3.089 -23.038 22.922 790 HB3 ARG 93 HB1 ARG 93 -3.946 -23.846 24.226 791 HG2 ARG 93 HG2 ARG 93 -5.060 -23.152 21.517 792 HG3 ARG 93 HG1 ARG 93 -4.577 -24.756 22.064 793 HD2 ARG 93 HD2 ARG 93 -6.803 -23.079 23.237 794 HD3 ARG 93 HD1 ARG 93 -7.009 -24.465 22.169 795 HE ARG 93 HE ARG 93 -5.731 -25.676 24.028 796 HH11 ARG 93 HH11 ARG 93 -8.180 -23.147 24.543 797 HH12 ARG 93 HH12 ARG 93 -8.653 -23.735 26.061 798 HH21 ARG 93 HH21 ARG 93 -6.428 -26.481 26.125 799 HH22 ARG 93 HH22 ARG 93 -7.643 -25.657 26.980 800 H ILE 94 HN ILE 94 -2.811 -20.000 23.480 801 HA ILE 94 HA ILE 94 -1.590 -20.195 26.124 802 HB ILE 94 HB ILE 94 0.390 -19.084 25.188 803 HG12 ILE 94 HG12 ILE 94 -1.047 -19.219 22.523 804 HG13 ILE 94 HG11 ILE 94 -0.749 -17.756 23.444 805 HG21 ILE 94 HG21 ILE 94 -0.448 -21.490 23.583 806 HG22 ILE 94 HG22 ILE 94 0.346 -21.501 25.158 807 HG23 ILE 94 HG23 ILE 94 1.205 -20.893 23.743 808 HD11 ILE 94 HD11 ILE 94 0.820 -17.987 21.592 809 HD12 ILE 94 HD12 ILE 94 1.376 -19.525 22.251 810 HD13 ILE 94 HD13 ILE 94 1.652 -18.032 23.146 811 H LEU 95 HN LEU 95 -1.162 -18.231 27.244 812 HA LEU 95 HA LEU 95 -2.414 -15.866 26.175 813 HB2 LEU 95 HB2 LEU 95 -4.139 -17.048 27.514 814 HB3 LEU 95 HB1 LEU 95 -3.074 -16.977 28.902 815 HG LEU 95 HG LEU 95 -3.195 -14.512 28.856 816 HD11 LEU 95 HD11 LEU 95 -5.212 -14.955 26.656 817 HD12 LEU 95 HD12 LEU 95 -3.645 -14.158 26.493 818 HD13 LEU 95 HD13 LEU 95 -4.911 -13.425 27.474 819 HD21 LEU 95 HD21 LEU 95 -5.861 -15.902 28.941 820 HD22 LEU 95 HD22 LEU 95 -5.486 -14.338 29.668 821 HD23 LEU 95 HD23 LEU 95 -4.701 -15.803 30.265 822 H LYS 47 H LYS 47 5.019 -1.041 24.403 823 HA LYS 47 HA LYS 47 2.378 -0.631 25.658 824 HB2 LYS 47 HB2 LYS 47 4.855 1.100 25.895 825 HB3 LYS 47 HB1 LYS 47 3.263 1.513 26.502 826 HG2 LYS 47 HG2 LYS 47 3.333 -0.461 27.971 827 HG3 LYS 47 HG1 LYS 47 4.967 -0.785 27.394 828 HD2 LYS 47 HD2 LYS 47 5.751 1.303 28.294 829 HD3 LYS 47 HD1 LYS 47 4.112 1.755 28.772 830 HE2 LYS 47 HE2 LYS 47 5.719 -0.574 29.822 831 HE3 LYS 47 HE1 LYS 47 5.375 0.922 30.688 832 HZ1 LYS 47 HZ1 LYS 47 3.356 -1.099 29.829 833 HZ2 LYS 47 HZ2 LYS 47 2.991 0.339 30.607 834 HZ3 LYS 47 HZ3 LYS 47 3.879 -0.832 31.395 835 H GLN 48 HN GLN 48 4.755 1.125 23.686 836 HA GLN 48 HA GLN 48 2.490 2.143 22.220 837 HB2 GLN 48 HB2 GLN 48 4.159 3.529 20.919 838 HB3 GLN 48 HB1 GLN 48 4.048 3.901 22.623 839 HG2 GLN 48 HG2 GLN 48 6.115 2.745 23.051 840 HG3 GLN 48 HG1 GLN 48 6.189 2.186 21.380 841 HE21 GLN 48 HE21 GLN 48 8.038 3.822 22.961 842 HE22 GLN 48 HE22 GLN 48 8.283 5.261 22.036 843 H THR 49 HN THR 49 1.830 0.160 21.425 844 HA THR 49 HA THR 49 3.503 -0.924 19.384 845 HB THR 49 HB THR 49 1.370 -2.530 19.335 846 HG1 THR 49 HG1 THR 49 0.145 -2.341 21.025 847 HG21 THR 49 HG21 THR 49 3.515 -2.600 21.466 848 HG22 THR 49 HG22 THR 49 3.681 -3.223 19.823 849 HG23 THR 49 HG23 THR 49 2.547 -3.976 20.944 850 H LEU 50 HN LEU 50 3.458 0.501 17.742 851 HA LEU 50 HA LEU 50 0.946 1.284 16.542 852 HB2 LEU 50 HB2 LEU 50 3.845 1.761 15.819 853 HB3 LEU 50 HB1 LEU 50 2.529 2.295 14.813 854 HG LEU 50 HG LEU 50 3.289 4.178 15.997 855 HD11 LEU 50 HD11 LEU 50 0.785 3.232 17.350 856 HD12 LEU 50 HD12 LEU 50 0.909 4.099 15.818 857 HD13 LEU 50 HD13 LEU 50 1.378 4.892 17.319 858 HD21 LEU 50 HD21 LEU 50 4.552 3.108 17.783 859 HD22 LEU 50 HD22 LEU 50 3.054 2.603 18.562 860 HD23 LEU 50 HD23 LEU 50 3.455 4.316 18.455 861 H LEU 51 HN LEU 51 2.405 -1.357 16.807 862 HA LEU 51 HA LEU 51 1.588 -2.496 14.305 863 HB2 LEU 51 HB2 LEU 51 3.618 -4.022 14.532 864 HB3 LEU 51 HB1 LEU 51 3.950 -2.390 14.012 865 HG LEU 51 HG LEU 51 4.572 -1.923 16.472 866 HD11 LEU 51 HD11 LEU 51 5.418 -3.834 17.741 867 HD12 LEU 51 HD12 LEU 51 4.663 -4.913 16.557 868 HD13 LEU 51 HD13 LEU 51 3.665 -3.847 17.536 869 HD21 LEU 51 HD21 LEU 51 6.284 -3.744 14.788 870 HD22 LEU 51 HD22 LEU 51 6.843 -2.778 16.149 871 HD23 LEU 51 HD23 LEU 51 6.214 -1.981 14.709 872 H SER 52 HN SER 52 0.926 -4.751 14.727 873 HA SER 52 HA SER 52 0.681 -5.482 17.516 874 HB2 SER 52 HB2 SER 52 -1.149 -3.784 17.117 875 HB3 SER 52 HB1 SER 52 -1.810 -4.855 15.889 876 HG SER 52 HG SER 52 -1.647 -5.263 18.693 877 H ASP 53 HN ASP 53 -1.448 -7.222 17.117 878 HA ASP 53 HA ASP 53 -0.243 -9.537 16.176 879 HB2 ASP 53 HB2 ASP 53 -2.004 -9.701 17.736 880 HB3 ASP 53 HB1 ASP 53 -3.107 -8.824 16.680 881 H GLU 54 HN GLU 54 -2.529 -7.369 14.530 882 HA GLU 54 HA GLU 54 -2.915 -8.889 12.228 883 HB2 GLU 54 HB2 GLU 54 -3.601 -6.817 11.113 884 HB3 GLU 54 HB1 GLU 54 -4.292 -6.933 12.720 885 HG2 GLU 54 HG2 GLU 54 -2.575 -5.389 13.546 886 HG3 GLU 54 HG1 GLU 54 -1.929 -5.257 11.912 887 H ASP 55 HN ASP 55 -0.171 -6.962 13.144 888 HA ASP 55 HA ASP 55 1.031 -6.668 10.630 889 HB2 ASP 55 HB2 ASP 55 2.210 -6.852 13.375 890 HB3 ASP 55 HB1 ASP 55 3.223 -6.742 11.937 891 H ALA 56 HN ALA 56 0.828 -9.372 12.753 892 HA ALA 56 HA ALA 56 2.974 -10.828 11.533 893 HB1 ALA 56 HB1 ALA 56 2.238 -11.283 13.827 894 HB2 ALA 56 HB2 ALA 56 2.141 -12.737 12.832 895 HB3 ALA 56 HB3 ALA 56 0.677 -11.827 13.220 896 H GLU 57 HN GLU 57 -0.284 -10.220 10.815 897 HA GLU 57 HA GLU 57 -0.773 -12.524 9.145 898 HB2 GLU 57 HB2 GLU 57 -2.403 -11.379 10.661 899 HB3 GLU 57 HB1 GLU 57 -2.275 -9.979 9.617 900 HG2 GLU 57 HG2 GLU 57 -3.199 -11.309 7.779 901 HG3 GLU 57 HG1 GLU 57 -3.413 -12.658 8.909 902 H LEU 58 HN LEU 58 -0.367 -9.032 8.928 903 HA LEU 58 HA LEU 58 -0.579 -8.952 6.117 904 HB2 LEU 58 HB2 LEU 58 0.232 -6.921 8.152 905 HB3 LEU 58 HB1 LEU 58 0.444 -6.589 6.453 906 HG LEU 58 HG LEU 58 -1.975 -6.828 6.079 907 HD11 LEU 58 HD11 LEU 58 -3.557 -6.927 7.915 908 HD12 LEU 58 HD12 LEU 58 -2.228 -7.191 9.044 909 HD13 LEU 58 HD13 LEU 58 -2.583 -8.393 7.803 910 HD21 LEU 58 HD21 LEU 58 -1.264 -4.903 8.270 911 HD22 LEU 58 HD22 LEU 58 -2.692 -4.800 7.246 912 HD23 LEU 58 HD23 LEU 58 -1.085 -4.635 6.537 913 H VAL 59 HN VAL 59 2.200 -9.324 8.222 914 HA VAL 59 HA VAL 59 4.155 -8.736 6.219 915 HB VAL 59 HB VAL 59 5.839 -9.770 7.624 916 HG11 VAL 59 HG11 VAL 59 5.269 -7.584 8.189 917 HG12 VAL 59 HG12 VAL 59 5.628 -8.495 9.659 918 HG13 VAL 59 HG13 VAL 59 3.955 -8.131 9.232 919 HG21 VAL 59 HG21 VAL 59 5.286 -10.878 9.760 920 HG22 VAL 59 HG22 VAL 59 4.689 -11.763 8.359 921 HG23 VAL 59 HG23 VAL 59 3.572 -10.800 9.332 922 H GLU 60 HN GLU 60 2.293 -11.590 6.855 923 HA GLU 60 HA GLU 60 4.037 -13.037 5.127 924 HB2 GLU 60 HB2 GLU 60 2.413 -14.946 5.345 925 HB3 GLU 60 HB1 GLU 60 3.176 -14.423 6.831 926 HG2 GLU 60 HG2 GLU 60 1.149 -13.232 7.449 927 HG3 GLU 60 HG1 GLU 60 0.400 -13.714 5.926 928 H ILE 61 HN ILE 61 0.966 -11.421 4.885 929 HA ILE 61 HA ILE 61 0.219 -12.392 2.339 930 HB ILE 61 HB ILE 61 -0.408 -9.680 3.565 931 HG12 ILE 61 HG12 ILE 61 -2.031 -12.246 3.553 932 HG13 ILE 61 HG11 ILE 61 -1.157 -11.612 4.939 933 HG21 ILE 61 HG21 ILE 61 -1.735 -11.149 1.292 934 HG22 ILE 61 HG22 ILE 61 -0.763 -9.679 1.154 935 HG23 ILE 61 HG23 ILE 61 -2.313 -9.640 2.004 936 HD11 ILE 61 HD11 ILE 61 -2.615 -9.642 4.949 937 HD12 ILE 61 HD12 ILE 61 -3.535 -11.140 5.099 938 HD13 ILE 61 HD13 ILE 61 -3.487 -10.286 3.559 939 H VAL 62 HN VAL 62 2.139 -9.616 3.340 940 HA VAL 62 HA VAL 62 2.504 -8.599 0.750 941 HB VAL 62 HB VAL 62 2.828 -7.171 2.727 942 HG11 VAL 62 HG11 VAL 62 4.855 -7.309 4.090 943 HG12 VAL 62 HG12 VAL 62 5.222 -8.851 3.289 944 HG13 VAL 62 HG13 VAL 62 3.765 -8.689 4.258 945 HG21 VAL 62 HG21 VAL 62 5.343 -7.417 1.101 946 HG22 VAL 62 HG22 VAL 62 4.911 -6.042 2.116 947 HG23 VAL 62 HG23 VAL 62 3.922 -6.445 0.714 948 H LYS 63 HN LYS 63 4.487 -10.830 2.670 949 HA LYS 63 HA LYS 63 6.539 -10.948 0.689 950 HB2 LYS 63 HB2 LYS 63 7.563 -12.672 2.004 951 HB3 LYS 63 HB1 LYS 63 6.970 -11.424 3.088 952 HG2 LYS 63 HG2 LYS 63 4.972 -12.836 3.486 953 HG3 LYS 63 HG1 LYS 63 5.751 -14.109 2.557 954 HD2 LYS 63 HD2 LYS 63 6.784 -12.871 5.114 955 HD3 LYS 63 HD1 LYS 63 6.119 -14.484 4.918 956 HE2 LYS 63 HE2 LYS 63 7.963 -14.992 3.312 957 HE3 LYS 63 HE1 LYS 63 8.649 -13.421 3.673 958 HZ1 LYS 63 HZ1 LYS 63 8.850 -14.070 5.994 959 HZ2 LYS 63 HZ2 LYS 63 9.731 -15.085 4.988 960 HZ3 LYS 63 HZ3 LYS 63 8.272 -15.616 5.639 961 H GLU 64 HN GLU 64 3.599 -12.710 1.316 962 HA GLU 64 HA GLU 64 3.881 -14.882 -0.400 963 HB2 GLU 64 HB2 GLU 64 1.971 -14.847 1.014 964 HB3 GLU 64 HB1 GLU 64 1.509 -13.238 0.486 965 HG2 GLU 64 HG2 GLU 64 0.841 -14.080 -1.655 966 HG3 GLU 64 HG1 GLU 64 1.405 -15.692 -1.263 967 H ARG 65 HN ARG 65 2.553 -11.688 -0.980 968 HA ARG 65 HA ARG 65 2.250 -12.155 -3.740 969 HB2 ARG 65 HB2 ARG 65 2.151 -9.721 -2.057 970 HB3 ARG 65 HB1 ARG 65 1.826 -9.645 -3.802 971 HG2 ARG 65 HG2 ARG 65 0.001 -11.305 -3.399 972 HG3 ARG 65 HG1 ARG 65 0.324 -11.157 -1.669 973 HD2 ARG 65 HD2 ARG 65 -0.136 -8.748 -1.828 974 HD3 ARG 65 HD1 ARG 65 -0.538 -8.959 -3.531 975 HE ARG 65 HE ARG 65 -1.995 -10.653 -1.736 976 HH11 ARG 65 HH11 ARG 65 -1.956 -7.584 -3.435 977 HH12 ARG 65 HH12 ARG 65 -3.636 -7.309 -3.331 978 HH21 ARG 65 HH21 ARG 65 -4.246 -10.323 -1.521 979 HH22 ARG 65 HH22 ARG 65 -5.026 -8.928 -2.121 980 H LEU 66 HN LEU 66 4.855 -10.998 -1.796 981 HA LEU 66 HA LEU 66 6.333 -9.827 -3.916 982 HB2 LEU 66 HB2 LEU 66 7.187 -10.803 -1.218 983 HB3 LEU 66 HB1 LEU 66 8.352 -10.235 -2.387 984 HG LEU 66 HG LEU 66 6.079 -8.561 -1.304 985 HD11 LEU 66 HD11 LEU 66 7.819 -7.401 -0.028 986 HD12 LEU 66 HD12 LEU 66 9.018 -8.559 -0.608 987 HD13 LEU 66 HD13 LEU 66 7.712 -9.096 0.447 988 HD21 LEU 66 HD21 LEU 66 6.794 -7.870 -3.530 989 HD22 LEU 66 HD22 LEU 66 8.476 -7.883 -3.008 990 HD23 LEU 66 HD23 LEU 66 7.352 -6.710 -2.324 991 H ARG 67 HN ARG 67 5.706 -13.119 -3.291 992 HA ARG 67 HA ARG 67 8.210 -14.054 -4.300 993 HB2 ARG 67 HB2 ARG 67 7.296 -16.295 -4.383 994 HB3 ARG 67 HB1 ARG 67 6.772 -15.539 -2.888 995 HG2 ARG 67 HG2 ARG 67 4.578 -15.097 -3.972 996 HG3 ARG 67 HG1 ARG 67 5.140 -16.004 -5.374 997 HD2 ARG 67 HD2 ARG 67 4.883 -17.078 -2.562 998 HD3 ARG 67 HD1 ARG 67 3.758 -17.376 -3.882 999 HE ARG 67 HE ARG 67 6.494 -18.139 -4.401 1000 HH11 ARG 67 HH11 ARG 67 3.357 -19.208 -3.188 1001 HH12 ARG 67 HH12 ARG 67 3.624 -20.849 -3.510 1002 HH21 ARG 67 HH21 ARG 67 6.905 -20.422 -4.795 1003 HH22 ARG 67 HH22 ARG 67 5.719 -21.564 -4.419 1004 H ASN 68 HN ASN 68 5.159 -13.240 -5.777 1005 HA ASN 68 HA ASN 68 6.467 -12.987 -8.335 1006 HB2 ASN 68 HB2 ASN 68 3.933 -14.674 -8.132 1007 HB3 ASN 68 HB1 ASN 68 4.714 -14.183 -9.624 1008 HD21 ASN 68 HD21 ASN 68 6.803 -15.178 -10.126 1009 HD22 ASN 68 HD22 ASN 68 7.176 -16.705 -9.459 1010 HA PRO 69 HA PRO 69 3.479 -9.760 -7.114 1011 HB2 PRO 69 HB2 PRO 69 5.335 -7.736 -7.823 1012 HB3 PRO 69 HB1 PRO 69 4.870 -8.259 -6.202 1013 HG2 PRO 69 HG2 PRO 69 7.374 -8.604 -7.417 1014 HG3 PRO 69 HG1 PRO 69 6.810 -9.388 -5.935 1015 HD2 PRO 69 HD2 PRO 69 7.021 -10.471 -8.693 1016 HD3 PRO 69 HD1 PRO 69 7.073 -11.311 -7.134 1017 H LYS 70 HN LYS 70 5.707 -8.945 -9.772 1018 HA LYS 70 HA LYS 70 5.454 -8.003 -11.725 1019 HB2 LYS 70 HB2 LYS 70 2.903 -9.622 -11.770 1020 HB3 LYS 70 HB1 LYS 70 3.325 -8.560 -13.103 1021 HG2 LYS 70 HG2 LYS 70 4.007 -10.778 -13.647 1022 HG3 LYS 70 HG1 LYS 70 5.452 -9.817 -13.370 1023 HD2 LYS 70 HD2 LYS 70 5.441 -10.776 -11.009 1024 HD3 LYS 70 HD1 LYS 70 4.217 -11.912 -11.578 1025 HE2 LYS 70 HE2 LYS 70 6.303 -12.998 -11.765 1026 HE3 LYS 70 HE1 LYS 70 5.800 -12.566 -13.393 1027 HZ1 LYS 70 HZ1 LYS 70 7.287 -10.617 -13.289 1028 HZ2 LYS 70 HZ2 LYS 70 8.144 -12.050 -13.050 1029 HZ3 LYS 70 HZ3 LYS 70 7.795 -11.076 -11.753 1030 HA PRO 71 HA PRO 71 3.286 -4.450 -10.059 1031 HB2 PRO 71 HB2 PRO 71 5.316 -2.757 -10.210 1032 HB3 PRO 71 HB1 PRO 71 5.209 -3.966 -8.931 1033 HG2 PRO 71 HG2 PRO 71 6.848 -3.964 -11.415 1034 HG3 PRO 71 HG1 PRO 71 7.273 -4.431 -9.750 1035 HD2 PRO 71 HD2 PRO 71 6.559 -6.221 -11.748 1036 HD3 PRO 71 HD1 PRO 71 6.406 -6.542 -10.011 1037 H VAL 72 HN VAL 72 2.687 -2.518 -10.930 1038 HA VAL 72 HA VAL 72 3.081 -2.045 -13.793 1039 HB VAL 72 HB VAL 72 0.444 -1.673 -12.346 1040 HG11 VAL 72 HG11 VAL 72 -0.507 -1.451 -14.588 1041 HG12 VAL 72 HG12 VAL 72 1.102 -1.644 -15.279 1042 HG13 VAL 72 HG13 VAL 72 0.745 -0.246 -14.269 1043 HG21 VAL 72 HG21 VAL 72 0.872 -4.095 -12.429 1044 HG22 VAL 72 HG22 VAL 72 1.170 -3.976 -14.164 1045 HG23 VAL 72 HG23 VAL 72 -0.430 -3.635 -13.520 1046 H ARG 73 HN ARG 73 4.321 -0.268 -13.528 1047 HA ARG 73 HA ARG 73 4.148 1.647 -11.469 1048 HB2 ARG 73 HB2 ARG 73 6.096 1.145 -13.074 1049 HB3 ARG 73 HB1 ARG 73 5.245 2.098 -14.261 1050 HG2 ARG 73 HG2 ARG 73 6.315 3.114 -11.617 1051 HG3 ARG 73 HG1 ARG 73 7.093 3.314 -13.178 1052 HD2 ARG 73 HD2 ARG 73 4.486 4.512 -12.248 1053 HD3 ARG 73 HD1 ARG 73 5.986 5.365 -12.600 1054 HE ARG 73 HE ARG 73 4.778 3.870 -14.784 1055 HH11 ARG 73 HH11 ARG 73 5.452 7.048 -13.416 1056 HH12 ARG 73 HH12 ARG 73 4.722 7.890 -14.717 1057 HH21 ARG 73 HH21 ARG 73 3.871 4.988 -16.532 1058 HH22 ARG 73 HH22 ARG 73 3.805 6.699 -16.534 1059 H VAL 74 HN VAL 74 2.594 3.116 -11.166 1060 HA VAL 74 HA VAL 74 1.190 4.238 -13.468 1061 HB VAL 74 HB VAL 74 -0.996 4.072 -12.270 1062 HG11 VAL 74 HG11 VAL 74 -0.495 2.442 -13.987 1063 HG12 VAL 74 HG12 VAL 74 -1.426 1.702 -12.684 1064 HG13 VAL 74 HG13 VAL 74 0.311 1.415 -12.802 1065 HG21 VAL 74 HG21 VAL 74 0.503 2.261 -10.392 1066 HG22 VAL 74 HG22 VAL 74 -1.247 2.524 -10.409 1067 HG23 VAL 74 HG23 VAL 74 -0.159 3.849 -9.999 1068 H THR 75 HN THR 75 -0.542 5.849 -12.285 1069 HA THR 75 HA THR 75 0.881 7.471 -10.317 1070 HB THR 75 HB THR 75 -0.077 9.484 -11.557 1071 HG1 THR 75 HG1 THR 75 -0.158 7.835 -13.816 1072 HG21 THR 75 HG21 THR 75 1.725 9.573 -13.241 1073 HG22 THR 75 HG22 THR 75 2.002 7.844 -13.027 1074 HG23 THR 75 HG23 THR 75 2.317 8.957 -11.700 1075 H LEU 76 HN LEU 76 -0.752 9.069 -9.322 1076 HA LEU 76 HA LEU 76 -3.162 7.653 -8.586 1077 HB2 LEU 76 HB2 LEU 76 -2.229 10.456 -7.965 1078 HB3 LEU 76 HB1 LEU 76 -3.616 9.670 -7.236 1079 HG LEU 76 HG LEU 76 -0.846 8.599 -7.029 1080 HD11 LEU 76 HD11 LEU 76 -0.944 10.848 -6.003 1081 HD12 LEU 76 HD12 LEU 76 -0.821 9.610 -4.756 1082 HD13 LEU 76 HD13 LEU 76 -2.376 10.368 -5.093 1083 HD21 LEU 76 HD21 LEU 76 -3.358 8.083 -5.451 1084 HD22 LEU 76 HD22 LEU 76 -1.769 7.393 -5.103 1085 HD23 LEU 76 HD23 LEU 76 -2.589 6.993 -6.608 1086 H ASP 77 HN ASP 77 -2.127 10.098 -10.665 1087 HA ASP 77 HA ASP 77 -4.470 11.416 -11.364 1088 HB2 ASP 77 HB2 ASP 77 -2.276 12.244 -11.932 1089 HB3 ASP 77 HB1 ASP 77 -1.973 10.849 -12.955 1090 H GLU 78 HN GLU 78 -3.147 8.331 -12.515 1091 HA GLU 78 HA GLU 78 -5.255 8.199 -14.495 1092 HB2 GLU 78 HB2 GLU 78 -4.227 6.150 -15.283 1093 HB3 GLU 78 HB1 GLU 78 -3.058 7.458 -15.225 1094 HG2 GLU 78 HG2 GLU 78 -2.109 6.529 -13.209 1095 HG3 GLU 78 HG1 GLU 78 -3.341 5.266 -13.187 1096 H LEU 79 HN LEU 79 -5.050 7.446 -11.265 1097 HA LEU 79 HA LEU 79 -6.607 5.029 -11.457 1098 HB2 LEU 79 HB2 LEU 79 -6.000 6.744 -9.049 1099 HB3 LEU 79 HB1 LEU 79 -6.730 5.154 -9.012 1100 HG LEU 79 HG LEU 79 -3.902 5.819 -9.812 1101 HD11 LEU 79 HD11 LEU 79 -3.303 4.540 -7.832 1102 HD12 LEU 79 HD12 LEU 79 -5.013 4.321 -7.455 1103 HD13 LEU 79 HD13 LEU 79 -4.304 5.937 -7.433 1104 HD21 LEU 79 HD21 LEU 79 -5.293 3.139 -9.726 1105 HD22 LEU 79 HD22 LEU 79 -3.565 3.389 -9.964 1106 HD23 LEU 79 HD23 LEU 79 -4.710 3.968 -11.171 Start of MODEL 4 1 H MET 1 H MET 1 4.866 11.617 -8.202 2 HA MET 1 HA MET 1 4.790 13.775 -7.474 3 HB2 MET 1 HB2 MET 1 3.482 13.441 -5.394 4 HB3 MET 1 HB1 MET 1 4.855 12.642 -4.653 5 HG2 MET 1 HG2 MET 1 6.128 14.728 -4.739 6 HG3 MET 1 HG1 MET 1 4.766 15.536 -5.507 7 HE1 MET 1 HE1 MET 1 2.479 16.065 -4.307 8 HE2 MET 1 HE2 MET 1 2.084 15.558 -2.667 9 HE3 MET 1 HE3 MET 1 2.259 14.353 -3.939 10 H ALA 2 HN ALA 2 6.776 12.477 -4.842 11 HA ALA 2 HA ALA 2 9.124 13.130 -6.400 12 HB1 ALA 2 HB1 ALA 2 8.767 12.198 -3.535 13 HB2 ALA 2 HB2 ALA 2 9.048 13.858 -4.055 14 HB3 ALA 2 HB3 ALA 2 10.311 12.644 -4.254 15 H TYR 3 HN TYR 3 7.538 10.514 -4.768 16 HA TYR 3 HA TYR 3 9.172 8.525 -6.110 17 HB2 TYR 3 HB2 TYR 3 6.989 8.323 -4.028 18 HB3 TYR 3 HB1 TYR 3 7.769 6.925 -4.746 19 HD1 TYR 3 HD1 TYR 3 8.417 9.972 -2.712 20 HD2 TYR 3 HD2 TYR 3 9.783 6.106 -3.835 21 HE1 TYR 3 HE1 TYR 3 10.151 10.090 -0.985 22 HE2 TYR 3 HE2 TYR 3 11.528 6.209 -2.112 23 HH TYR 3 HH TYR 3 12.766 8.015 -0.866 24 H PHE 4 HN PHE 4 8.311 7.081 -7.536 25 HA PHE 4 HA PHE 4 5.933 7.920 -8.966 26 HB2 PHE 4 HB2 PHE 4 7.647 5.450 -9.409 27 HB3 PHE 4 HB1 PHE 4 6.473 6.124 -10.526 28 HD1 PHE 4 HD1 PHE 4 6.957 8.459 -11.479 29 HD2 PHE 4 HD2 PHE 4 9.859 6.069 -9.494 30 HE1 PHE 4 HE1 PHE 4 8.756 9.762 -12.538 31 HE2 PHE 4 HE2 PHE 4 11.652 7.351 -10.529 32 HZ PHE 4 HZ PHE 4 11.117 9.212 -12.060 33 H LEU 5 HN LEU 5 4.454 5.746 -9.611 34 HA LEU 5 HA LEU 5 3.945 4.512 -7.036 35 HB2 LEU 5 HB2 LEU 5 2.364 6.308 -7.511 36 HB3 LEU 5 HB1 LEU 5 1.992 5.578 -9.054 37 HG LEU 5 HG LEU 5 1.018 3.665 -7.923 38 HD11 LEU 5 HD11 LEU 5 1.547 5.254 -5.392 39 HD12 LEU 5 HD12 LEU 5 2.316 3.727 -5.829 40 HD13 LEU 5 HD13 LEU 5 0.591 3.774 -5.485 41 HD21 LEU 5 HD21 LEU 5 -0.025 6.350 -7.094 42 HD22 LEU 5 HD22 LEU 5 -0.949 4.857 -7.058 43 HD23 LEU 5 HD23 LEU 5 -0.379 5.501 -8.596 44 H ASP 6 HN ASP 6 3.693 2.381 -7.095 45 HA ASP 6 HA ASP 6 3.205 1.067 -9.671 46 HB2 ASP 6 HB2 ASP 6 5.387 0.329 -7.702 47 HB3 ASP 6 HB1 ASP 6 4.629 -0.925 -8.662 48 H PHE 7 HN PHE 7 1.876 -0.615 -9.612 49 HA PHE 7 HA PHE 7 0.842 -1.473 -6.999 50 HB2 PHE 7 HB2 PHE 7 -0.646 -0.296 -9.270 51 HB3 PHE 7 HB1 PHE 7 -1.361 -1.713 -8.529 52 HD1 PHE 7 HD2 PHE 7 -0.275 1.767 -7.897 53 HD2 PHE 7 HD1 PHE 7 -2.466 -1.578 -6.482 54 HE1 PHE 7 HE2 PHE 7 -1.341 3.179 -6.174 55 HE2 PHE 7 HE1 PHE 7 -3.531 -0.177 -4.772 56 HZ PHE 7 HZ PHE 7 -2.967 2.209 -4.621 57 H ASP 8 HN ASP 8 1.158 -3.579 -6.849 58 HA ASP 8 HA ASP 8 1.650 -5.390 -8.936 59 HB2 ASP 8 HB2 ASP 8 2.143 -5.985 -6.616 60 HB3 ASP 8 HB1 ASP 8 0.434 -5.900 -6.200 61 H GLU 9 HN GLU 9 0.280 -6.948 -9.958 62 HA GLU 9 HA GLU 9 -2.125 -6.058 -10.964 63 HB2 GLU 9 HB2 GLU 9 -1.096 -8.854 -10.731 64 HB3 GLU 9 HB1 GLU 9 -2.667 -8.517 -11.432 65 HG2 GLU 9 HG2 GLU 9 -1.518 -7.030 -13.070 66 HG3 GLU 9 HG1 GLU 9 0.018 -7.619 -12.430 67 H ARG 10 HN ARG 10 -1.649 -7.982 -8.057 68 HA ARG 10 HA ARG 10 -4.410 -8.624 -7.775 69 HB2 ARG 10 HB2 ARG 10 -2.282 -8.534 -5.634 70 HB3 ARG 10 HB1 ARG 10 -3.817 -9.383 -5.542 71 HG2 ARG 10 HG2 ARG 10 -3.105 -10.831 -7.380 72 HG3 ARG 10 HG1 ARG 10 -1.557 -9.994 -7.425 73 HD2 ARG 10 HD2 ARG 10 -1.290 -10.656 -4.998 74 HD3 ARG 10 HD1 ARG 10 -2.676 -11.722 -5.232 75 HE ARG 10 HE ARG 10 -0.478 -11.914 -7.085 76 HH11 ARG 10 HH11 ARG 10 -2.148 -13.391 -4.304 77 HH12 ARG 10 HH12 ARG 10 -1.342 -14.881 -4.463 78 HH21 ARG 10 HH21 ARG 10 0.624 -13.969 -7.262 79 HH22 ARG 10 HH22 ARG 10 0.286 -15.214 -6.172 80 H ALA 11 HN ALA 11 -2.326 -6.040 -6.781 81 HA ALA 11 HA ALA 11 -4.139 -4.836 -4.944 82 HB1 ALA 11 HB1 ALA 11 -1.703 -3.669 -6.294 83 HB2 ALA 11 HB2 ALA 11 -1.714 -4.539 -4.764 84 HB3 ALA 11 HB3 ALA 11 -2.542 -2.990 -4.898 85 H LEU 12 HN LEU 12 -3.525 -4.601 -8.352 86 HA LEU 12 HA LEU 12 -4.931 -2.202 -8.967 87 HB2 LEU 12 HB2 LEU 12 -4.756 -4.698 -10.664 88 HB3 LEU 12 HB1 LEU 12 -5.197 -3.108 -11.228 89 HG LEU 12 HG LEU 12 -2.446 -3.894 -10.236 90 HD11 LEU 12 HD11 LEU 12 -3.123 -5.008 -12.350 91 HD12 LEU 12 HD12 LEU 12 -1.804 -3.862 -12.553 92 HD13 LEU 12 HD13 LEU 12 -3.437 -3.416 -13.045 93 HD21 LEU 12 HD21 LEU 12 -3.415 -1.427 -11.666 94 HD22 LEU 12 HD22 LEU 12 -1.748 -1.779 -11.200 95 HD23 LEU 12 HD23 LEU 12 -2.976 -1.514 -9.962 96 H LYS 13 HN LYS 13 -5.926 -5.527 -9.032 97 HA LYS 13 HA LYS 13 -8.635 -4.948 -9.710 98 HB2 LYS 13 HB2 LYS 13 -7.636 -7.521 -8.498 99 HB3 LYS 13 HB1 LYS 13 -8.974 -7.296 -9.618 100 HG2 LYS 13 HG2 LYS 13 -6.036 -7.013 -10.252 101 HG3 LYS 13 HG1 LYS 13 -7.098 -8.323 -10.753 102 HD2 LYS 13 HD2 LYS 13 -8.299 -6.909 -12.222 103 HD3 LYS 13 HD1 LYS 13 -7.582 -5.451 -11.529 104 HE2 LYS 13 HE2 LYS 13 -5.413 -6.072 -12.368 105 HE3 LYS 13 HE1 LYS 13 -6.045 -7.586 -13.012 106 HZ1 LYS 13 HZ1 LYS 13 -6.802 -4.848 -13.916 107 HZ2 LYS 13 HZ2 LYS 13 -7.470 -6.265 -14.498 108 HZ3 LYS 13 HZ3 LYS 13 -5.849 -5.943 -14.766 109 H GLU 14 HN GLU 14 -6.811 -5.006 -6.896 110 HA GLU 14 HA GLU 14 -8.680 -5.741 -4.949 111 HB2 GLU 14 HB2 GLU 14 -6.045 -5.260 -5.058 112 HB3 GLU 14 HB1 GLU 14 -6.603 -3.790 -4.309 113 HG2 GLU 14 HG2 GLU 14 -6.035 -5.286 -2.553 114 HG3 GLU 14 HG1 GLU 14 -7.786 -5.104 -2.586 115 H TRP 15 HN TRP 15 -7.629 -2.485 -6.219 116 HA TRP 15 HA TRP 15 -9.410 -1.210 -4.381 117 HB2 TRP 15 HB2 TRP 15 -8.857 0.921 -5.350 118 HB3 TRP 15 HB1 TRP 15 -7.371 -0.003 -5.345 119 HD1 TRP 15 HD1 TRP 15 -10.179 0.955 -7.887 120 HE1 TRP 15 HE1 TRP 15 -9.100 1.305 -10.192 121 HE3 TRP 15 HE3 TRP 15 -5.351 -0.225 -6.716 122 HZ2 TRP 15 HZ2 TRP 15 -6.559 1.136 -11.351 123 HZ3 TRP 15 HZ3 TRP 15 -3.663 -0.075 -8.487 124 HH2 TRP 15 HH2 TRP 15 -4.258 0.585 -10.754 125 H ARG 16 HN ARG 16 -9.655 -2.620 -7.383 126 HA ARG 16 HA ARG 16 -12.011 -1.243 -8.245 127 HB2 ARG 16 HB2 ARG 16 -10.801 -3.802 -9.301 128 HB3 ARG 16 HB1 ARG 16 -12.000 -2.801 -10.121 129 HG2 ARG 16 HG2 ARG 16 -10.365 -0.943 -10.165 130 HG3 ARG 16 HG1 ARG 16 -9.204 -1.988 -9.386 131 HD2 ARG 16 HD2 ARG 16 -8.767 -1.863 -11.753 132 HD3 ARG 16 HD1 ARG 16 -9.216 -3.500 -11.306 133 HE ARG 16 HE ARG 16 -11.551 -2.648 -12.112 134 HH11 ARG 16 HH11 ARG 16 -8.421 -1.933 -13.622 135 HH12 ARG 16 HH12 ARG 16 -9.072 -1.615 -15.157 136 HH21 ARG 16 HH21 ARG 16 -12.439 -2.248 -14.230 137 HH22 ARG 16 HH22 ARG 16 -11.415 -1.795 -15.513 138 H LYS 17 HN LYS 17 -11.416 -3.923 -6.156 139 HA LYS 17 HA LYS 17 -14.176 -4.821 -6.440 140 HB2 LYS 17 HB2 LYS 17 -13.467 -6.783 -4.989 141 HB3 LYS 17 HB1 LYS 17 -12.718 -6.702 -6.569 142 HG2 LYS 17 HG2 LYS 17 -10.939 -7.271 -5.212 143 HG3 LYS 17 HG1 LYS 17 -10.783 -5.530 -5.335 144 HD2 LYS 17 HD2 LYS 17 -10.451 -5.870 -3.074 145 HD3 LYS 17 HD1 LYS 17 -12.180 -5.524 -3.126 146 HE2 LYS 17 HE2 LYS 17 -11.729 -7.437 -1.692 147 HE3 LYS 17 HE1 LYS 17 -12.644 -7.942 -3.113 148 HZ1 LYS 17 HZ1 LYS 17 -9.688 -8.137 -2.970 149 HZ2 LYS 17 HZ2 LYS 17 -10.703 -8.906 -4.073 150 HZ3 LYS 17 HZ3 LYS 17 -10.696 -9.376 -2.455 151 H LEU 18 HN LEU 18 -12.597 -2.615 -4.680 152 HA LEU 18 HA LEU 18 -14.423 -3.001 -2.445 153 HB2 LEU 18 HB2 LEU 18 -12.861 -1.579 -1.078 154 HB3 LEU 18 HB1 LEU 18 -12.248 -3.148 -1.532 155 HG LEU 18 HG LEU 18 -10.994 -1.942 -3.391 156 HD11 LEU 18 HD11 LEU 18 -11.638 0.458 -1.700 157 HD12 LEU 18 HD12 LEU 18 -12.140 0.181 -3.370 158 HD13 LEU 18 HD13 LEU 18 -10.431 0.397 -2.981 159 HD21 LEU 18 HD21 LEU 18 -10.268 -1.392 -0.535 160 HD22 LEU 18 HD22 LEU 18 -9.171 -1.322 -1.920 161 HD23 LEU 18 HD23 LEU 18 -9.906 -2.854 -1.456 162 H GLY 19 HN GLY 19 -14.673 -0.683 -1.291 163 HA2 GLY 19 HA2 GLY 19 -16.525 0.668 -2.883 164 HA3 GLY 19 HA1 GLY 19 -15.846 1.236 -1.363 165 H SER 20 HN SER 20 -16.515 2.524 -4.016 166 HA SER 20 HA SER 20 -14.060 3.281 -5.177 167 HB2 SER 20 HB2 SER 20 -16.264 3.254 -6.392 168 HB3 SER 20 HB1 SER 20 -16.738 4.678 -5.468 169 HG SER 20 HG SER 20 -15.183 5.857 -6.463 170 H THR 21 HN THR 21 -16.137 4.682 -2.668 171 HA THR 21 HA THR 21 -14.747 7.155 -2.508 172 HB THR 21 HB THR 21 -16.148 5.774 -0.236 173 HG1 THR 21 HG1 THR 21 -18.039 6.186 -1.109 174 HG21 THR 21 HG21 THR 21 -15.072 7.912 0.267 175 HG22 THR 21 HG22 THR 21 -16.827 8.081 0.348 176 HG23 THR 21 HG23 THR 21 -15.946 8.679 -1.057 177 H VAL 22 HN VAL 22 -14.454 3.978 -1.113 178 HA VAL 22 HA VAL 22 -12.528 4.458 0.871 179 HB VAL 22 HB VAL 22 -13.067 1.929 -0.714 180 HG11 VAL 22 HG11 VAL 22 -11.900 0.746 1.092 181 HG12 VAL 22 HG12 VAL 22 -11.494 2.291 1.834 182 HG13 VAL 22 HG13 VAL 22 -10.821 1.869 0.260 183 HG21 VAL 22 HG21 VAL 22 -13.968 2.800 2.030 184 HG22 VAL 22 HG22 VAL 22 -14.276 1.225 1.308 185 HG23 VAL 22 HG23 VAL 22 -14.984 2.676 0.591 186 H ARG 23 HN ARG 23 -12.142 3.451 -2.515 187 HA ARG 23 HA ARG 23 -9.336 3.324 -2.334 188 HB2 ARG 23 HB2 ARG 23 -9.228 3.174 -4.742 189 HB3 ARG 23 HB1 ARG 23 -10.565 2.199 -4.166 190 HG2 ARG 23 HG2 ARG 23 -12.138 3.901 -4.868 191 HG3 ARG 23 HG1 ARG 23 -10.808 4.947 -5.363 192 HD2 ARG 23 HD2 ARG 23 -10.097 3.217 -6.984 193 HD3 ARG 23 HD1 ARG 23 -11.482 2.253 -6.508 194 HE ARG 23 HE ARG 23 -12.896 4.067 -7.333 195 HH11 ARG 23 HH11 ARG 23 -9.540 3.996 -8.517 196 HH12 ARG 23 HH12 ARG 23 -9.872 4.697 -10.023 197 HH21 ARG 23 HH21 ARG 23 -13.394 4.966 -9.453 198 HH22 ARG 23 HH22 ARG 23 -12.146 5.187 -10.589 199 H GLU 24 HN GLU 24 -11.464 6.024 -3.004 200 HA GLU 24 HA GLU 24 -9.298 7.624 -3.879 201 HB2 GLU 24 HB2 GLU 24 -12.077 8.495 -3.074 202 HB3 GLU 24 HB1 GLU 24 -10.870 9.525 -3.842 203 HG2 GLU 24 HG2 GLU 24 -10.805 7.769 -5.694 204 HG3 GLU 24 HG1 GLU 24 -12.277 7.147 -4.960 205 H GLN 25 HN GLN 25 -10.734 7.019 -0.784 206 HA GLN 25 HA GLN 25 -9.397 9.084 0.624 207 HB2 GLN 25 HB2 GLN 25 -10.241 6.328 1.551 208 HB3 GLN 25 HB1 GLN 25 -9.663 7.590 2.620 209 HG2 GLN 25 HG2 GLN 25 -11.579 8.977 2.017 210 HG3 GLN 25 HG1 GLN 25 -12.143 7.714 0.927 211 HE21 GLN 25 HE21 GLN 25 -13.067 5.907 1.753 212 HE22 GLN 25 HE22 GLN 25 -13.508 5.703 3.417 213 H LEU 26 HN LEU 26 -8.553 5.789 -0.240 214 HA LEU 26 HA LEU 26 -6.034 5.622 0.972 215 HB2 LEU 26 HB2 LEU 26 -7.076 4.290 -1.521 216 HB3 LEU 26 HB1 LEU 26 -5.576 3.854 -0.733 217 HG LEU 26 HG LEU 26 -8.302 3.635 0.552 218 HD11 LEU 26 HD11 LEU 26 -8.079 2.091 -1.327 219 HD12 LEU 26 HD12 LEU 26 -8.056 1.238 0.213 220 HD13 LEU 26 HD13 LEU 26 -6.556 1.507 -0.665 221 HD21 LEU 26 HD21 LEU 26 -7.110 2.267 2.208 222 HD22 LEU 26 HD22 LEU 26 -6.507 3.920 2.171 223 HD23 LEU 26 HD23 LEU 26 -5.583 2.629 1.404 224 H LYS 27 HN LYS 27 -7.022 6.856 -2.173 225 HA LYS 27 HA LYS 27 -4.499 7.264 -3.286 226 HB2 LYS 27 HB2 LYS 27 -7.051 8.809 -3.731 227 HB3 LYS 27 HB1 LYS 27 -5.586 9.038 -4.675 228 HG2 LYS 27 HG2 LYS 27 -5.696 6.735 -5.448 229 HG3 LYS 27 HG1 LYS 27 -7.129 6.459 -4.459 230 HD2 LYS 27 HD2 LYS 27 -7.725 6.852 -6.808 231 HD3 LYS 27 HD1 LYS 27 -8.355 8.129 -5.770 232 HE2 LYS 27 HE2 LYS 27 -6.529 9.596 -6.428 233 HE3 LYS 27 HE1 LYS 27 -5.813 8.310 -7.393 234 HZ1 LYS 27 HZ1 LYS 27 -7.056 9.858 -8.757 235 HZ2 LYS 27 HZ2 LYS 27 -8.451 9.569 -7.851 236 HZ3 LYS 27 HZ3 LYS 27 -7.802 8.343 -8.792 237 H LYS 28 HN LYS 28 -6.234 9.211 -0.956 238 HA LYS 28 HA LYS 28 -4.360 11.339 -1.224 239 HB2 LYS 28 HB2 LYS 28 -6.644 10.901 0.646 240 HB3 LYS 28 HB1 LYS 28 -5.425 12.102 1.065 241 HG2 LYS 28 HG2 LYS 28 -7.211 13.196 -0.093 242 HG3 LYS 28 HG1 LYS 28 -5.785 13.177 -1.125 243 HD2 LYS 28 HD2 LYS 28 -6.897 10.963 -2.027 244 HD3 LYS 28 HD1 LYS 28 -8.363 11.726 -1.409 245 HE2 LYS 28 HE2 LYS 28 -6.418 12.865 -3.377 246 HE3 LYS 28 HE1 LYS 28 -8.029 12.266 -3.742 247 HZ1 LYS 28 HZ1 LYS 28 -8.019 14.655 -3.626 248 HZ2 LYS 28 HZ2 LYS 28 -7.394 14.656 -2.068 249 HZ3 LYS 28 HZ3 LYS 28 -8.949 14.072 -2.354 250 H LYS 29 HN LYS 29 -4.540 8.528 0.718 251 HA LYS 29 HA LYS 29 -2.355 9.382 2.362 252 HB2 LYS 29 HB2 LYS 29 -3.864 6.800 2.121 253 HB3 LYS 29 HB1 LYS 29 -2.297 6.797 2.920 254 HG2 LYS 29 HG2 LYS 29 -4.140 7.034 4.519 255 HG3 LYS 29 HG1 LYS 29 -3.074 8.438 4.525 256 HD2 LYS 29 HD2 LYS 29 -4.738 9.470 2.882 257 HD3 LYS 29 HD1 LYS 29 -5.830 8.176 3.367 258 HE2 LYS 29 HE2 LYS 29 -6.195 10.233 4.600 259 HE3 LYS 29 HE1 LYS 29 -5.711 8.898 5.660 260 HZ1 LYS 29 HZ1 LYS 29 -4.586 11.078 6.112 261 HZ2 LYS 29 HZ2 LYS 29 -3.731 10.916 4.650 262 HZ3 LYS 29 HZ3 LYS 29 -3.560 9.792 5.867 263 H LEU 30 HN LEU 30 -2.715 8.273 -0.683 264 HA LEU 30 HA LEU 30 -0.025 7.234 -0.802 265 HB2 LEU 30 HB2 LEU 30 -2.100 7.469 -2.971 266 HB3 LEU 30 HB1 LEU 30 -0.497 6.798 -3.198 267 HG LEU 30 HG LEU 30 -2.631 5.648 -1.391 268 HD11 LEU 30 HD11 LEU 30 -3.182 5.386 -3.747 269 HD12 LEU 30 HD12 LEU 30 -2.735 3.840 -3.023 270 HD13 LEU 30 HD13 LEU 30 -1.587 4.694 -4.052 271 HD21 LEU 30 HD21 LEU 30 -0.395 5.181 -0.539 272 HD22 LEU 30 HD22 LEU 30 0.111 4.609 -2.127 273 HD23 LEU 30 HD23 LEU 30 -1.108 3.717 -1.218 274 H VAL 31 HN VAL 31 -1.780 10.142 -1.610 275 HA VAL 31 HA VAL 31 0.310 11.175 -3.251 276 HB VAL 31 HB VAL 31 -2.104 11.992 -3.320 277 HG11 VAL 31 HG11 VAL 31 -1.312 13.595 -0.912 278 HG12 VAL 31 HG12 VAL 31 -2.493 12.294 -0.957 279 HG13 VAL 31 HG13 VAL 31 -2.797 13.790 -1.843 280 HG21 VAL 31 HG21 VAL 31 -1.521 14.325 -3.860 281 HG22 VAL 31 HG22 VAL 31 -0.380 13.163 -4.538 282 HG23 VAL 31 HG23 VAL 31 0.052 14.084 -3.098 283 H GLU 32 HN GLU 32 -0.178 10.938 0.128 284 HA GLU 32 HA GLU 32 1.816 12.965 0.664 285 HB2 GLU 32 HB2 GLU 32 1.260 12.476 3.073 286 HB3 GLU 32 HB1 GLU 32 -0.097 13.058 2.128 287 HG2 GLU 32 HG2 GLU 32 -0.869 10.740 1.885 288 HG3 GLU 32 HG1 GLU 32 0.444 10.212 2.930 289 H VAL 33 HN VAL 33 1.392 9.591 0.350 290 HA VAL 33 HA VAL 33 3.745 8.853 1.760 291 HB VAL 33 HB VAL 33 1.553 7.495 1.092 292 HG11 VAL 33 HG11 VAL 33 3.436 6.636 -1.062 293 HG12 VAL 33 HG12 VAL 33 1.920 7.484 -1.296 294 HG13 VAL 33 HG13 VAL 33 1.918 5.838 -0.642 295 HG21 VAL 33 HG21 VAL 33 3.183 6.827 2.639 296 HG22 VAL 33 HG22 VAL 33 4.231 6.244 1.310 297 HG23 VAL 33 HG23 VAL 33 2.669 5.473 1.624 298 H LEU 34 HN LEU 34 2.940 9.824 -1.432 299 HA LEU 34 HA LEU 34 5.363 8.906 -2.651 300 HB2 LEU 34 HB2 LEU 34 3.329 10.885 -3.657 301 HB3 LEU 34 HB1 LEU 34 4.696 10.319 -4.593 302 HG LEU 34 HG LEU 34 2.416 8.622 -3.586 303 HD11 LEU 34 HD11 LEU 34 3.171 9.527 -6.355 304 HD12 LEU 34 HD12 LEU 34 1.791 10.107 -5.421 305 HD13 LEU 34 HD13 LEU 34 1.850 8.426 -5.966 306 HD21 LEU 34 HD21 LEU 34 3.397 6.855 -4.972 307 HD22 LEU 34 HD22 LEU 34 4.468 7.338 -3.662 308 HD23 LEU 34 HD23 LEU 34 4.782 7.894 -5.307 309 H GLU 35 HN GLU 35 4.788 11.324 -0.563 310 HA GLU 35 HA GLU 35 6.885 13.116 -1.460 311 HB2 GLU 35 HB2 GLU 35 4.942 14.063 -0.355 312 HB3 GLU 35 HB1 GLU 35 5.151 12.991 1.015 313 HG2 GLU 35 HG2 GLU 35 7.248 14.137 1.566 314 HG3 GLU 35 HG1 GLU 35 6.988 15.233 0.210 315 H SER 36 HN SER 36 6.211 10.760 1.060 316 HA SER 36 HA SER 36 8.859 9.863 1.279 317 HB2 SER 36 HB2 SER 36 9.122 11.930 2.630 318 HB3 SER 36 HB1 SER 36 7.744 11.475 3.618 319 HG SER 36 HG SER 36 10.293 10.810 3.909 320 HA PRO 37 HA PRO 37 5.745 6.886 2.533 321 HB2 PRO 37 HB2 PRO 37 6.795 4.773 1.297 322 HB3 PRO 37 HB1 PRO 37 6.012 6.069 0.391 323 HG2 PRO 37 HG2 PRO 37 8.886 5.437 0.664 324 HG3 PRO 37 HG1 PRO 37 8.032 6.228 -0.668 325 HD2 PRO 37 HD2 PRO 37 9.527 7.452 1.425 326 HD3 PRO 37 HD1 PRO 37 8.569 8.244 0.156 327 H ARG 38 HN ARG 38 8.775 7.297 3.655 328 HA ARG 38 HA ARG 38 8.889 4.767 5.083 329 HB2 ARG 38 HB2 ARG 38 10.797 7.094 5.075 330 HB3 ARG 38 HB1 ARG 38 11.053 5.604 5.979 331 HG2 ARG 38 HG2 ARG 38 11.147 4.347 3.908 332 HG3 ARG 38 HG1 ARG 38 10.796 5.809 2.987 333 HD2 ARG 38 HD2 ARG 38 13.248 5.305 4.679 334 HD3 ARG 38 HD1 ARG 38 13.150 5.314 2.914 335 HE ARG 38 HE ARG 38 12.579 7.673 4.554 336 HH11 ARG 38 HH11 ARG 38 14.367 6.204 1.856 337 HH12 ARG 38 HH12 ARG 38 14.876 7.713 1.236 338 HH21 ARG 38 HH21 ARG 38 13.334 9.696 3.688 339 HH22 ARG 38 HH22 ARG 38 14.270 9.710 2.260 340 H ILE 39 HN ILE 39 7.006 5.103 6.205 341 HA ILE 39 HA ILE 39 7.138 7.127 8.310 342 HB ILE 39 HB ILE 39 4.752 5.432 7.482 343 HG12 ILE 39 HG12 ILE 39 5.329 8.313 6.731 344 HG13 ILE 39 HG11 ILE 39 5.545 6.946 5.646 345 HG21 ILE 39 HG21 ILE 39 4.951 7.944 9.157 346 HG22 ILE 39 HG22 ILE 39 4.665 6.318 9.770 347 HG23 ILE 39 HG23 ILE 39 3.460 7.099 8.743 348 HD11 ILE 39 HD11 ILE 39 3.463 8.123 5.210 349 HD12 ILE 39 HD12 ILE 39 2.942 7.825 6.872 350 HD13 ILE 39 HD13 ILE 39 3.159 6.475 5.760 351 H GLU 40 HN GLU 40 8.369 6.148 9.814 352 HA GLU 40 HA GLU 40 8.289 3.326 10.140 353 HB2 GLU 40 HB2 GLU 40 10.154 3.586 11.665 354 HB3 GLU 40 HB1 GLU 40 10.387 4.625 10.277 355 HG2 GLU 40 HG2 GLU 40 11.040 6.000 11.961 356 HG3 GLU 40 HG1 GLU 40 9.330 6.413 11.885 357 H ALA 41 HN ALA 41 6.417 5.738 11.361 358 HA ALA 41 HA ALA 41 5.669 4.431 13.806 359 HB1 ALA 41 HB1 ALA 41 5.368 6.848 13.516 360 HB2 ALA 41 HB2 ALA 41 3.831 6.049 13.858 361 HB3 ALA 41 HB3 ALA 41 4.219 6.551 12.210 362 H ASN 42 HN ASN 42 5.218 3.722 10.592 363 HA ASN 42 HA ASN 42 2.880 2.042 11.158 364 HB2 ASN 42 HB2 ASN 42 3.373 3.794 8.752 365 HB3 ASN 42 HB1 ASN 42 2.293 2.413 8.675 366 HD21 ASN 42 HD21 ASN 42 2.756 5.628 9.931 367 HD22 ASN 42 HD22 ASN 42 1.138 5.849 10.460 368 H LYS 43 HN LYS 43 5.863 1.669 11.039 369 HA LYS 43 HA LYS 43 6.399 0.054 8.719 370 HB2 LYS 43 HB2 LYS 43 8.515 -0.500 9.808 371 HB3 LYS 43 HB1 LYS 43 8.225 1.228 9.873 372 HG2 LYS 43 HG2 LYS 43 7.371 0.872 12.224 373 HG3 LYS 43 HG1 LYS 43 8.012 -0.769 12.111 374 HD2 LYS 43 HD2 LYS 43 10.241 0.087 11.728 375 HD3 LYS 43 HD1 LYS 43 9.627 1.738 11.677 376 HE2 LYS 43 HE2 LYS 43 8.805 1.353 14.054 377 HE3 LYS 43 HE1 LYS 43 9.760 -0.125 14.042 378 HZ1 LYS 43 HZ1 LYS 43 11.086 1.537 15.015 379 HZ2 LYS 43 HZ2 LYS 43 10.723 2.675 13.854 380 HZ3 LYS 43 HZ3 LYS 43 11.719 1.372 13.452 381 H LEU 44 HN LEU 44 6.547 -2.142 8.534 382 HA LEU 44 HA LEU 44 4.741 -3.572 10.157 383 HB2 LEU 44 HB2 LEU 44 6.623 -4.420 8.008 384 HB3 LEU 44 HB1 LEU 44 5.540 -5.538 8.798 385 HG LEU 44 HG LEU 44 4.841 -3.242 6.974 386 HD11 LEU 44 HD11 LEU 44 4.289 -6.195 6.828 387 HD12 LEU 44 HD12 LEU 44 5.502 -5.325 5.894 388 HD13 LEU 44 HD13 LEU 44 3.787 -4.990 5.644 389 HD21 LEU 44 HD21 LEU 44 3.243 -3.198 8.790 390 HD22 LEU 44 HD22 LEU 44 3.002 -4.935 8.651 391 HD23 LEU 44 HD23 LEU 44 2.479 -3.868 7.348 392 H ARG 45 HN ARG 45 5.312 -5.664 11.036 393 HA ARG 45 HA ARG 45 7.195 -5.198 13.138 394 HB2 ARG 45 HB2 ARG 45 4.903 -6.237 13.320 395 HB3 ARG 45 HB1 ARG 45 5.582 -7.678 12.598 396 HG2 ARG 45 HG2 ARG 45 7.008 -8.027 14.469 397 HG3 ARG 45 HG1 ARG 45 6.587 -6.452 15.150 398 HD2 ARG 45 HD2 ARG 45 4.231 -7.214 15.307 399 HD3 ARG 45 HD1 ARG 45 4.751 -8.811 14.775 400 HE ARG 45 HE ARG 45 6.323 -8.509 16.821 401 HH11 ARG 45 HH11 ARG 45 2.877 -7.662 16.606 402 HH12 ARG 45 HH12 ARG 45 2.551 -7.943 18.256 403 HH21 ARG 45 HH21 ARG 45 5.846 -8.883 19.145 404 HH22 ARG 45 HH22 ARG 45 4.279 -8.656 19.725 405 H GLY 46 HN GLY 46 7.329 -6.912 10.179 406 HA2 GLY 46 HA2 GLY 46 10.012 -7.867 10.953 407 HA3 GLY 46 HA1 GLY 46 8.900 -8.936 10.114 408 H MET 47 HN MET 47 8.729 -5.663 9.193 409 HA MET 47 HA MET 47 10.536 -6.064 6.941 410 HB2 MET 47 HB2 MET 47 7.598 -5.378 6.653 411 HB3 MET 47 HB1 MET 47 8.788 -5.133 5.392 412 HG2 MET 47 HG2 MET 47 8.134 -7.811 6.578 413 HG3 MET 47 HG1 MET 47 7.317 -7.145 5.170 414 HE1 MET 47 HE1 MET 47 7.868 -9.184 3.689 415 HE2 MET 47 HE2 MET 47 8.601 -9.968 5.083 416 HE3 MET 47 HE3 MET 47 9.467 -9.908 3.543 417 HA PRO 48 HA PRO 48 10.923 -1.857 8.683 418 HB2 PRO 48 HB2 PRO 48 13.541 -1.951 7.331 419 HB3 PRO 48 HB1 PRO 48 13.179 -1.671 9.037 420 HG2 PRO 48 HG2 PRO 48 14.308 -3.955 8.224 421 HG3 PRO 48 HG1 PRO 48 13.110 -3.933 9.531 422 HD2 PRO 48 HD2 PRO 48 12.737 -4.657 6.640 423 HD3 PRO 48 HD1 PRO 48 12.147 -5.491 8.097 424 H ASP 49 HN ASP 49 11.273 -3.064 5.481 425 HA ASP 49 HA ASP 49 11.287 -0.391 4.266 426 HB2 ASP 49 HB2 ASP 49 11.453 -3.103 2.940 427 HB3 ASP 49 HB1 ASP 49 11.595 -1.553 2.126 428 H CYS 50 HN CYS 50 8.978 -2.350 5.449 429 HA CYS 50 HA CYS 50 7.137 -1.629 3.301 430 HB2 CYS 50 HB2 CYS 50 7.694 -4.111 3.363 431 HB3 CYS 50 HB1 CYS 50 6.969 -4.140 4.958 432 HG CYS 50 HG CYS 50 4.927 -2.791 2.764 433 H TYR 51 HN TYR 51 5.257 -0.733 3.962 434 HA TYR 51 HA TYR 51 4.873 -0.431 6.839 435 HB2 TYR 51 HB2 TYR 51 4.650 1.828 4.825 436 HB3 TYR 51 HB1 TYR 51 4.516 1.946 6.575 437 HD1 TYR 51 HD1 TYR 51 6.544 1.877 7.970 438 HD2 TYR 51 HD2 TYR 51 6.799 1.682 3.752 439 HE1 TYR 51 HE1 TYR 51 8.958 2.335 8.096 440 HE2 TYR 51 HE2 TYR 51 9.209 2.142 3.867 441 HH TYR 51 HH TYR 51 10.967 1.824 6.581 442 H LYS 52 HN LYS 52 2.661 0.171 7.319 443 HA LYS 52 HA LYS 52 0.777 -0.326 5.145 444 HB2 LYS 52 HB2 LYS 52 -0.619 -1.701 6.616 445 HB3 LYS 52 HB1 LYS 52 0.967 -2.417 6.440 446 HG2 LYS 52 HG2 LYS 52 0.452 -2.711 8.709 447 HG3 LYS 52 HG1 LYS 52 1.500 -1.294 8.704 448 HD2 LYS 52 HD2 LYS 52 -0.562 0.122 8.691 449 HD3 LYS 52 HD1 LYS 52 -1.504 -1.351 8.901 450 HE2 LYS 52 HE2 LYS 52 0.615 -0.339 10.787 451 HE3 LYS 52 HE1 LYS 52 -1.131 -0.125 10.939 452 HZ1 LYS 52 HZ1 LYS 52 0.351 -2.705 10.961 453 HZ2 LYS 52 HZ2 LYS 52 -1.339 -2.592 11.131 454 HZ3 LYS 52 HZ3 LYS 52 -0.312 -1.988 12.302 455 H ILE 53 HN ILE 53 -1.108 0.816 5.227 456 HA ILE 53 HA ILE 53 -1.392 2.656 7.470 457 HB ILE 53 HB ILE 53 -1.884 3.422 4.554 458 HG12 ILE 53 HG12 ILE 53 0.225 4.463 6.476 459 HG13 ILE 53 HG11 ILE 53 0.538 3.334 5.171 460 HG21 ILE 53 HG21 ILE 53 -3.460 4.434 6.109 461 HG22 ILE 53 HG22 ILE 53 -2.352 5.682 5.507 462 HG23 ILE 53 HG23 ILE 53 -2.139 4.983 7.122 463 HD11 ILE 53 HD11 ILE 53 -0.123 5.041 3.538 464 HD12 ILE 53 HD12 ILE 53 1.194 5.605 4.568 465 HD13 ILE 53 HD13 ILE 53 -0.454 6.165 4.857 466 H LYS 54 HN LYS 54 -3.527 2.974 8.057 467 HA LYS 54 HA LYS 54 -5.478 1.267 6.672 468 HB2 LYS 54 HB2 LYS 54 -5.051 1.676 9.627 469 HB3 LYS 54 HB1 LYS 54 -6.391 0.787 8.920 470 HG2 LYS 54 HG2 LYS 54 -5.052 -0.968 8.241 471 HG3 LYS 54 HG1 LYS 54 -3.586 0.015 8.266 472 HD2 LYS 54 HD2 LYS 54 -3.555 -1.536 10.109 473 HD3 LYS 54 HD1 LYS 54 -3.721 0.138 10.655 474 HE2 LYS 54 HE2 LYS 54 -6.081 -0.179 11.080 475 HE3 LYS 54 HE1 LYS 54 -6.029 -1.804 10.400 476 HZ1 LYS 54 HZ1 LYS 54 -4.607 -2.498 12.202 477 HZ2 LYS 54 HZ2 LYS 54 -5.979 -1.778 12.862 478 HZ3 LYS 54 HZ3 LYS 54 -4.528 -0.935 12.810 479 H LEU 55 HN LEU 55 -7.270 2.327 6.152 480 HA LEU 55 HA LEU 55 -7.700 5.064 6.811 481 HB2 LEU 55 HB2 LEU 55 -9.650 3.007 5.751 482 HB3 LEU 55 HB1 LEU 55 -9.980 4.718 5.880 483 HG LEU 55 HG LEU 55 -7.938 3.437 4.080 484 HD11 LEU 55 HD11 LEU 55 -10.230 3.055 3.383 485 HD12 LEU 55 HD12 LEU 55 -9.427 4.191 2.297 486 HD13 LEU 55 HD13 LEU 55 -10.569 4.781 3.503 487 HD21 LEU 55 HD21 LEU 55 -8.727 6.338 4.409 488 HD22 LEU 55 HD22 LEU 55 -7.688 5.707 3.136 489 HD23 LEU 55 HD23 LEU 55 -7.163 5.632 4.815 490 H ARG 56 HN ARG 56 -8.432 5.796 8.615 491 HA ARG 56 HA ARG 56 -9.264 3.888 10.624 492 HB2 ARG 56 HB2 ARG 56 -8.651 6.840 10.862 493 HB3 ARG 56 HB1 ARG 56 -8.877 5.711 12.204 494 HG2 ARG 56 HG2 ARG 56 -6.955 4.441 11.558 495 HG3 ARG 56 HG1 ARG 56 -6.776 5.375 10.086 496 HD2 ARG 56 HD2 ARG 56 -6.310 7.373 11.509 497 HD3 ARG 56 HD1 ARG 56 -6.325 6.303 12.915 498 HE ARG 56 HE ARG 56 -4.622 5.031 11.362 499 HH11 ARG 56 HH11 ARG 56 -4.681 8.447 12.297 500 HH12 ARG 56 HH12 ARG 56 -3.039 8.699 11.931 501 HH21 ARG 56 HH21 ARG 56 -2.375 5.398 10.876 502 HH22 ARG 56 HH22 ARG 56 -1.697 6.934 11.110 503 H SER 57 HN SER 57 -10.694 5.840 8.389 504 HA SER 57 HA SER 57 -13.125 6.366 9.806 505 HB2 SER 57 HB2 SER 57 -13.773 7.065 7.435 506 HB3 SER 57 HB1 SER 57 -12.448 7.956 8.202 507 HG SER 57 HG SER 57 -12.074 7.180 5.957 508 H SER 58 HN SER 58 -12.357 4.614 6.846 509 HA SER 58 HA SER 58 -14.759 3.084 6.972 510 HB2 SER 58 HB2 SER 58 -12.441 2.829 5.060 511 HB3 SER 58 HB1 SER 58 -14.094 2.260 4.808 512 HG SER 58 HG SER 58 -14.572 4.630 5.277 513 H GLY 59 HN GLY 59 -11.321 2.344 7.592 514 HA2 GLY 59 HA2 GLY 59 -10.566 0.617 8.964 515 HA3 GLY 59 HA1 GLY 59 -12.144 -0.145 8.852 516 H TYR 60 HN TYR 60 -9.883 0.894 6.369 517 HA TYR 60 HA TYR 60 -9.764 -1.865 5.344 518 HB2 TYR 60 HB2 TYR 60 -9.807 0.759 3.830 519 HB3 TYR 60 HB1 TYR 60 -9.270 -0.743 3.100 520 HD1 TYR 60 HD1 TYR 60 -12.219 0.571 4.999 521 HD2 TYR 60 HD2 TYR 60 -10.816 -1.917 1.864 522 HE1 TYR 60 HE1 TYR 60 -14.528 0.087 4.364 523 HE2 TYR 60 HE2 TYR 60 -13.130 -2.417 1.210 524 HH TYR 60 HH TYR 60 -15.763 -0.645 2.360 525 H ARG 61 HN ARG 61 -7.674 -2.495 4.531 526 HA ARG 61 HA ARG 61 -5.519 -0.827 5.640 527 HB2 ARG 61 HB2 ARG 61 -4.191 -2.957 5.690 528 HB3 ARG 61 HB1 ARG 61 -5.576 -2.935 6.774 529 HG2 ARG 61 HG2 ARG 61 -6.836 -4.335 5.339 530 HG3 ARG 61 HG1 ARG 61 -5.667 -4.142 4.038 531 HD2 ARG 61 HD2 ARG 61 -5.543 -6.317 5.125 532 HD3 ARG 61 HD1 ARG 61 -4.043 -5.409 5.237 533 HE ARG 61 HE ARG 61 -5.254 -4.810 7.572 534 HH11 ARG 61 HH11 ARG 61 -4.826 -8.060 6.104 535 HH12 ARG 61 HH12 ARG 61 -4.519 -8.766 7.640 536 HH21 ARG 61 HH21 ARG 61 -4.754 -5.949 9.593 537 HH22 ARG 61 HH22 ARG 61 -4.447 -7.656 9.475 538 H LEU 62 HN LEU 62 -3.567 -0.669 4.484 539 HA LEU 62 HA LEU 62 -3.462 -1.711 1.780 540 HB2 LEU 62 HB2 LEU 62 -4.381 0.655 1.711 541 HB3 LEU 62 HB1 LEU 62 -2.910 1.204 2.475 542 HG LEU 62 HG LEU 62 -2.896 -0.149 -0.237 543 HD11 LEU 62 HD11 LEU 62 -4.364 1.797 -0.358 544 HD12 LEU 62 HD12 LEU 62 -2.858 2.084 -1.225 545 HD13 LEU 62 HD13 LEU 62 -3.108 2.800 0.367 546 HD21 LEU 62 HD21 LEU 62 -0.962 1.757 1.095 547 HD22 LEU 62 HD22 LEU 62 -0.787 1.054 -0.518 548 HD23 LEU 62 HD23 LEU 62 -0.728 0.017 0.904 549 H VAL 63 HN VAL 63 -1.487 -2.465 1.368 550 HA VAL 63 HA VAL 63 0.664 -1.988 3.328 551 HB VAL 63 HB VAL 63 0.164 -4.538 1.774 552 HG11 VAL 63 HG11 VAL 63 1.725 -5.555 3.367 553 HG12 VAL 63 HG12 VAL 63 1.968 -3.979 4.118 554 HG13 VAL 63 HG13 VAL 63 2.467 -4.245 2.447 555 HG21 VAL 63 HG21 VAL 63 -0.559 -3.998 4.651 556 HG22 VAL 63 HG22 VAL 63 -0.682 -5.551 3.812 557 HG23 VAL 63 HG23 VAL 63 -1.688 -4.192 3.310 558 H TYR 64 HN TYR 64 2.531 -1.318 2.373 559 HA TYR 64 HA TYR 64 2.977 -1.897 -0.451 560 HB2 TYR 64 HB2 TYR 64 3.565 0.456 -0.924 561 HB3 TYR 64 HB1 TYR 64 1.880 0.308 -0.439 562 HD1 TYR 64 HD2 TYR 64 1.198 1.018 1.843 563 HD2 TYR 64 HD1 TYR 64 5.104 1.786 0.344 564 HE1 TYR 64 HE2 TYR 64 1.536 2.669 3.610 565 HE2 TYR 64 HE1 TYR 64 5.461 3.437 2.126 566 HH TYR 64 HH TYR 64 3.377 3.722 4.812 567 H GLN 65 HN GLN 65 5.188 -1.744 -1.017 568 HA GLN 65 HA GLN 65 6.975 -1.605 1.286 569 HB2 GLN 65 HB2 GLN 65 6.789 -3.851 0.058 570 HB3 GLN 65 HB1 GLN 65 7.524 -3.047 -1.320 571 HG2 GLN 65 HG2 GLN 65 9.515 -2.563 -0.000 572 HG3 GLN 65 HG1 GLN 65 8.779 -3.322 1.407 573 HE21 GLN 65 HE21 GLN 65 8.547 -4.520 -1.856 574 HE22 GLN 65 HE22 GLN 65 9.496 -5.949 -1.595 575 H VAL 66 HN VAL 66 8.815 -0.389 1.025 576 HA VAL 66 HA VAL 66 8.522 1.668 -1.013 577 HB VAL 66 HB VAL 66 10.085 1.660 1.576 578 HG11 VAL 66 HG11 VAL 66 10.484 4.048 1.133 579 HG12 VAL 66 HG12 VAL 66 9.722 3.878 -0.452 580 HG13 VAL 66 HG13 VAL 66 11.233 3.038 -0.107 581 HG21 VAL 66 HG21 VAL 66 7.715 1.765 1.874 582 HG22 VAL 66 HG22 VAL 66 7.588 3.035 0.668 583 HG23 VAL 66 HG23 VAL 66 8.407 3.360 2.203 584 H ILE 67 HN ILE 67 9.818 1.601 -2.698 585 HA ILE 67 HA ILE 67 12.389 0.221 -2.446 586 HB ILE 67 HB ILE 67 10.937 0.979 -4.986 587 HG12 ILE 67 HG12 ILE 67 10.919 -1.719 -3.581 588 HG13 ILE 67 HG11 ILE 67 9.553 -0.613 -3.650 589 HG21 ILE 67 HG21 ILE 67 13.343 0.579 -5.184 590 HG22 ILE 67 HG22 ILE 67 12.457 -0.728 -5.972 591 HG23 ILE 67 HG23 ILE 67 13.173 -0.982 -4.383 592 HD11 ILE 67 HD11 ILE 67 9.461 -0.896 -6.076 593 HD12 ILE 67 HD12 ILE 67 9.310 -2.442 -5.234 594 HD13 ILE 67 HD13 ILE 67 10.838 -1.995 -5.995 595 H ASP 68 HN ASP 68 13.847 1.774 -1.957 596 HA ASP 68 HA ASP 68 13.431 4.492 -2.799 597 HB2 ASP 68 HB2 ASP 68 15.296 5.101 -1.488 598 HB3 ASP 68 HB1 ASP 68 14.553 3.774 -0.607 599 H GLU 69 HN GLU 69 15.316 1.762 -3.864 600 HA GLU 69 HA GLU 69 17.156 3.229 -5.430 601 HB2 GLU 69 HB2 GLU 69 17.743 1.099 -6.498 602 HB3 GLU 69 HB1 GLU 69 17.658 0.952 -4.750 603 HG2 GLU 69 HG2 GLU 69 15.499 -0.138 -4.921 604 HG3 GLU 69 HG1 GLU 69 15.504 0.120 -6.663 605 H LYS 70 HN LYS 70 13.983 1.996 -6.146 606 HA LYS 70 HA LYS 70 14.195 2.853 -8.951 607 HB2 LYS 70 HB2 LYS 70 11.964 1.481 -7.463 608 HB3 LYS 70 HB1 LYS 70 11.949 1.840 -9.185 609 HG2 LYS 70 HG2 LYS 70 13.815 0.325 -9.502 610 HG3 LYS 70 HG1 LYS 70 13.858 0.016 -7.763 611 HD2 LYS 70 HD2 LYS 70 11.568 -0.865 -7.875 612 HD3 LYS 70 HD1 LYS 70 11.560 -0.589 -9.614 613 HE2 LYS 70 HE2 LYS 70 13.485 -2.369 -8.152 614 HE3 LYS 70 HE1 LYS 70 12.053 -2.934 -9.021 615 HZ1 LYS 70 HZ1 LYS 70 14.011 -3.184 -10.344 616 HZ2 LYS 70 HZ2 LYS 70 14.419 -1.559 -10.192 617 HZ3 LYS 70 HZ3 LYS 70 13.027 -2.014 -11.053 618 H VAL 71 HN VAL 71 13.415 3.993 -5.987 619 HA VAL 71 HA VAL 71 12.181 5.575 -5.009 620 HB VAL 71 HB VAL 71 12.049 7.068 -7.630 621 HG11 VAL 71 HG11 VAL 71 12.145 9.027 -6.210 622 HG12 VAL 71 HG12 VAL 71 12.444 7.979 -4.814 623 HG13 VAL 71 HG13 VAL 71 10.899 7.895 -5.635 624 HG21 VAL 71 HG21 VAL 71 14.332 6.271 -7.423 625 HG22 VAL 71 HG22 VAL 71 14.429 6.959 -5.789 626 HG23 VAL 71 HG23 VAL 71 14.229 8.021 -7.197 627 H VAL 72 HN VAL 72 10.435 3.916 -5.010 628 HA VAL 72 HA VAL 72 8.071 5.014 -6.177 629 HB VAL 72 HB VAL 72 9.061 3.706 -8.032 630 HG11 VAL 72 HG11 VAL 72 10.208 2.021 -6.781 631 HG12 VAL 72 HG12 VAL 72 9.132 1.283 -7.971 632 HG13 VAL 72 HG13 VAL 72 8.680 1.312 -6.263 633 HG21 VAL 72 HG21 VAL 72 7.070 2.396 -8.600 634 HG22 VAL 72 HG22 VAL 72 6.676 3.993 -7.963 635 HG23 VAL 72 HG23 VAL 72 6.503 2.566 -6.938 636 H VAL 73 HN VAL 73 6.221 4.256 -5.217 637 HA VAL 73 HA VAL 73 6.507 2.640 -2.832 638 HB VAL 73 HB VAL 73 4.268 4.407 -3.880 639 HG11 VAL 73 HG11 VAL 73 4.533 3.029 -1.214 640 HG12 VAL 73 HG12 VAL 73 3.399 2.594 -2.491 641 HG13 VAL 73 HG13 VAL 73 3.250 4.147 -1.670 642 HG21 VAL 73 HG21 VAL 73 6.236 4.859 -1.650 643 HG22 VAL 73 HG22 VAL 73 4.924 5.951 -2.112 644 HG23 VAL 73 HG23 VAL 73 6.245 5.632 -3.232 645 H PHE 74 HN PHE 74 6.171 0.545 -3.250 646 HA PHE 74 HA PHE 74 4.480 -0.159 -5.511 647 HB2 PHE 74 HB2 PHE 74 6.773 -0.997 -5.606 648 HB3 PHE 74 HB1 PHE 74 6.586 -1.753 -4.035 649 HD1 PHE 74 HD2 PHE 74 3.914 -1.923 -6.561 650 HD2 PHE 74 HD1 PHE 74 7.273 -3.902 -4.852 651 HE1 PHE 74 HE2 PHE 74 3.237 -4.005 -7.650 652 HE2 PHE 74 HE1 PHE 74 6.595 -5.996 -5.952 653 HZ PHE 74 HZ PHE 74 4.567 -6.042 -7.356 654 H VAL 75 HN VAL 75 2.480 -0.284 -4.823 655 HA VAL 75 HA VAL 75 1.749 -1.286 -2.250 656 HB VAL 75 HB VAL 75 -0.047 -0.683 -4.615 657 HG11 VAL 75 HG11 VAL 75 -1.128 -2.060 -2.928 658 HG12 VAL 75 HG12 VAL 75 -1.803 -0.431 -2.914 659 HG13 VAL 75 HG13 VAL 75 -0.652 -0.922 -1.671 660 HG21 VAL 75 HG21 VAL 75 -0.419 1.496 -3.548 661 HG22 VAL 75 HG22 VAL 75 1.261 1.268 -4.035 662 HG23 VAL 75 HG23 VAL 75 0.808 1.102 -2.337 663 H ILE 76 HN ILE 76 1.093 -3.193 -1.731 664 HA ILE 76 HA ILE 76 1.372 -5.362 -3.687 665 HB ILE 76 HB ILE 76 1.715 -5.308 -0.686 666 HG12 ILE 76 HG12 ILE 76 3.450 -4.100 -1.949 667 HG13 ILE 76 HG11 ILE 76 4.120 -5.484 -1.115 668 HG21 ILE 76 HG21 ILE 76 0.964 -7.484 -1.311 669 HG22 ILE 76 HG22 ILE 76 2.691 -7.577 -0.966 670 HG23 ILE 76 HG23 ILE 76 2.123 -7.559 -2.635 671 HD11 ILE 76 HD11 ILE 76 4.055 -6.727 -3.243 672 HD12 ILE 76 HD12 ILE 76 5.071 -5.288 -3.295 673 HD13 ILE 76 HD13 ILE 76 3.478 -5.265 -4.046 674 H SER 77 HN SER 77 -0.474 -4.501 -0.736 675 HA SER 77 HA SER 77 -2.716 -6.077 -1.769 676 HB2 SER 77 HB2 SER 77 -1.749 -6.061 1.102 677 HB3 SER 77 HB1 SER 77 -3.096 -6.993 0.448 678 HG SER 77 HG SER 77 -1.748 -8.403 -0.346 679 H VAL 78 HN VAL 78 -4.807 -5.284 -1.047 680 HA VAL 78 HA VAL 78 -4.887 -2.809 0.472 681 HB VAL 78 HB VAL 78 -6.275 -3.046 -2.229 682 HG11 VAL 78 HG11 VAL 78 -6.611 -0.648 -2.061 683 HG12 VAL 78 HG12 VAL 78 -5.803 -0.661 -0.493 684 HG13 VAL 78 HG13 VAL 78 -7.322 -1.528 -0.707 685 HG21 VAL 78 HG21 VAL 78 -3.900 -2.960 -2.750 686 HG22 VAL 78 HG22 VAL 78 -3.719 -1.532 -1.727 687 HG23 VAL 78 HG23 VAL 78 -4.688 -1.445 -3.196 688 H GLY 79 HN GLY 79 -7.115 -2.547 1.266 689 HA2 GLY 79 HA2 GLY 79 -9.465 -2.949 0.892 690 HA3 GLY 79 HA1 GLY 79 -9.040 -4.526 0.265 691 H LYS 80 HN LYS 80 -10.732 -5.169 1.700 692 HA LYS 80 HA LYS 80 -9.665 -5.593 4.363 693 HB2 LYS 80 HB2 LYS 80 -12.551 -5.532 3.478 694 HB3 LYS 80 HB1 LYS 80 -12.023 -6.157 5.032 695 HG2 LYS 80 HG2 LYS 80 -11.043 -3.924 5.530 696 HG3 LYS 80 HG1 LYS 80 -11.725 -3.341 4.017 697 HD2 LYS 80 HD2 LYS 80 -13.169 -2.724 5.852 698 HD3 LYS 80 HD1 LYS 80 -13.979 -3.919 4.844 699 HE2 LYS 80 HE2 LYS 80 -14.311 -4.366 7.225 700 HE3 LYS 80 HE1 LYS 80 -13.418 -5.673 6.442 701 HZ1 LYS 80 HZ1 LYS 80 -12.201 -3.507 8.107 702 HZ2 LYS 80 HZ2 LYS 80 -11.372 -4.795 7.410 703 HZ3 LYS 80 HZ3 LYS 80 -12.492 -5.085 8.601 704 H ALA 81 HN ALA 81 -8.906 -7.369 4.632 705 HA ALA 81 HA ALA 81 -9.995 -9.810 3.367 706 HB1 ALA 81 HB1 ALA 81 -7.745 -9.278 2.511 707 HB2 ALA 81 HB2 ALA 81 -7.662 -10.666 3.597 708 HB3 ALA 81 HB3 ALA 81 -7.156 -9.075 4.161 709 H GLU 82 HN GLU 82 -8.636 -11.510 5.056 710 HA GLU 82 HA GLU 82 -9.975 -10.973 7.519 711 HB2 GLU 82 HB2 GLU 82 -8.783 -13.063 8.351 712 HB3 GLU 82 HB1 GLU 82 -9.901 -13.303 7.023 713 HG2 GLU 82 HG2 GLU 82 -6.947 -13.002 6.652 714 HG3 GLU 82 HG1 GLU 82 -7.717 -14.571 6.924 715 H ALA 83 HN ALA 83 -9.184 -9.991 9.272 716 HA ALA 83 HA ALA 83 -6.386 -9.270 9.196 717 HB1 ALA 83 HB1 ALA 83 -7.720 -7.430 8.303 718 HB2 ALA 83 HB2 ALA 83 -7.047 -7.034 9.881 719 HB3 ALA 83 HB3 ALA 83 -8.751 -7.475 9.736 720 H SER 84 HN SER 84 -5.495 -9.577 11.069 721 HA SER 84 HA SER 84 -5.147 -9.656 13.279 722 HB2 SER 84 HB2 SER 84 -8.093 -9.010 13.541 723 HB3 SER 84 HB1 SER 84 -6.978 -9.085 14.894 724 HG SER 84 HG SER 84 -5.745 -7.464 13.606 725 H GLU 85 HN GLU 85 -8.201 -11.185 12.440 726 HA GLU 85 HA GLU 85 -7.556 -13.498 14.107 727 HB2 GLU 85 HB2 GLU 85 -10.064 -12.569 12.739 728 HB3 GLU 85 HB1 GLU 85 -9.927 -14.144 13.502 729 HG2 GLU 85 HG2 GLU 85 -9.515 -11.514 14.900 730 HG3 GLU 85 HG1 GLU 85 -11.003 -12.464 14.935 731 H VAL 86 HN VAL 86 -6.080 -13.092 11.614 732 HA VAL 86 HA VAL 86 -7.023 -14.511 9.424 733 HB VAL 86 HB VAL 86 -4.985 -13.109 9.394 734 HG11 VAL 86 HG11 VAL 86 -2.808 -14.006 10.120 735 HG12 VAL 86 HG12 VAL 86 -3.640 -15.382 10.841 736 HG13 VAL 86 HG13 VAL 86 -3.929 -13.758 11.457 737 HG21 VAL 86 HG21 VAL 86 -4.534 -15.923 8.412 738 HG22 VAL 86 HG22 VAL 86 -3.622 -14.502 7.903 739 HG23 VAL 86 HG23 VAL 86 -5.344 -14.619 7.537 740 H TYR 87 HN TYR 87 -5.572 -15.742 12.311 741 HA TYR 87 HA TYR 87 -5.120 -18.423 11.384 742 HB2 TYR 87 HB2 TYR 87 -4.548 -18.895 13.741 743 HB3 TYR 87 HB1 TYR 87 -3.731 -17.449 13.162 744 HD1 TYR 87 HD1 TYR 87 -4.661 -15.177 13.849 745 HD2 TYR 87 HD2 TYR 87 -5.978 -18.814 15.639 746 HE1 TYR 87 HE1 TYR 87 -5.617 -13.910 15.713 747 HE2 TYR 87 HE2 TYR 87 -6.939 -17.539 17.513 748 HH TYR 87 HH TYR 87 -7.432 -14.239 17.329 749 H SER 88 HN SER 88 -7.807 -16.722 12.747 750 HA SER 88 HA SER 88 -8.987 -18.873 14.119 751 HB2 SER 88 HB2 SER 88 -10.229 -16.288 13.233 752 HB3 SER 88 HB1 SER 88 -10.761 -17.341 14.550 753 HG SER 88 HG SER 88 -9.477 -15.658 15.414 754 H GLU 89 HN GLU 89 -9.340 -17.654 10.811 755 HA GLU 89 HA GLU 89 -11.693 -19.316 10.410 756 HB2 GLU 89 HB2 GLU 89 -11.300 -17.094 9.243 757 HB3 GLU 89 HB1 GLU 89 -10.073 -17.910 8.278 758 HG2 GLU 89 HG2 GLU 89 -12.085 -17.802 7.008 759 HG3 GLU 89 HG1 GLU 89 -11.856 -19.478 7.514 760 H ALA 90 HN ALA 90 -8.326 -19.527 10.218 761 HA ALA 90 HA ALA 90 -8.115 -21.533 8.211 762 HB1 ALA 90 HB1 ALA 90 -6.143 -20.688 10.315 763 HB2 ALA 90 HB2 ALA 90 -6.301 -19.969 8.712 764 HB3 ALA 90 HB3 ALA 90 -5.771 -21.641 8.877 765 H VAL 91 HN VAL 91 -8.819 -21.545 11.536 766 HA VAL 91 HA VAL 91 -8.631 -24.480 11.588 767 HB VAL 91 HB VAL 91 -8.582 -24.332 14.074 768 HG11 VAL 91 HG11 VAL 91 -6.470 -24.501 12.887 769 HG12 VAL 91 HG12 VAL 91 -6.288 -23.498 14.328 770 HG13 VAL 91 HG13 VAL 91 -6.397 -22.744 12.736 771 HG21 VAL 91 HG21 VAL 91 -8.366 -21.352 13.622 772 HG22 VAL 91 HG22 VAL 91 -8.161 -22.161 15.177 773 HG23 VAL 91 HG23 VAL 91 -9.728 -22.191 14.366 774 H LYS 92 HN LYS 92 -10.404 -25.464 12.968 775 HA LYS 92 HA LYS 92 -12.834 -24.054 12.267 776 HB2 LYS 92 HB2 LYS 92 -14.139 -26.075 12.774 777 HB3 LYS 92 HB1 LYS 92 -12.842 -26.433 11.659 778 HG2 LYS 92 HG2 LYS 92 -12.698 -27.037 14.617 779 HG3 LYS 92 HG1 LYS 92 -13.350 -28.165 13.435 780 HD2 LYS 92 HD2 LYS 92 -11.183 -28.164 12.272 781 HD3 LYS 92 HD1 LYS 92 -10.540 -27.063 13.487 782 HE2 LYS 92 HE2 LYS 92 -10.971 -28.749 15.225 783 HE3 LYS 92 HE1 LYS 92 -11.586 -29.846 13.994 784 HZ1 LYS 92 HZ1 LYS 92 -9.420 -29.865 12.960 785 HZ2 LYS 92 HZ2 LYS 92 -9.251 -30.299 14.574 786 HZ3 LYS 92 HZ3 LYS 92 -8.827 -28.756 14.063 787 H ARG 93 HN ARG 93 -11.233 -25.179 15.188 788 HA ARG 93 HA ARG 93 -12.217 -23.229 16.856 789 HB2 ARG 93 HB2 ARG 93 -14.418 -24.231 16.682 790 HB3 ARG 93 HB1 ARG 93 -13.764 -25.833 16.977 791 HG2 ARG 93 HG2 ARG 93 -13.243 -25.224 19.268 792 HG3 ARG 93 HG1 ARG 93 -13.799 -23.576 18.977 793 HD2 ARG 93 HD2 ARG 93 -15.470 -24.989 20.143 794 HD3 ARG 93 HD1 ARG 93 -16.047 -24.332 18.617 795 HE ARG 93 HE ARG 93 -15.620 -26.527 17.634 796 HH11 ARG 93 HH11 ARG 93 -15.850 -26.432 21.171 797 HH12 ARG 93 HH12 ARG 93 -16.496 -27.988 21.303 798 HH21 ARG 93 HH21 ARG 93 -16.524 -28.668 17.850 799 HH22 ARG 93 HH22 ARG 93 -16.903 -29.290 19.395 800 H ILE 94 HN ILE 94 -10.495 -23.169 18.026 801 HA ILE 94 HA ILE 94 -9.177 -25.639 18.807 802 HB ILE 94 HB ILE 94 -7.293 -24.118 19.595 803 HG12 ILE 94 HG12 ILE 94 -8.830 -22.012 18.026 804 HG13 ILE 94 HG11 ILE 94 -8.630 -22.025 19.773 805 HG21 ILE 94 HG21 ILE 94 -8.045 -24.082 16.677 806 HG22 ILE 94 HG22 ILE 94 -7.115 -25.323 17.521 807 HG23 ILE 94 HG23 ILE 94 -6.445 -23.703 17.312 808 HD11 ILE 94 HD11 ILE 94 -6.424 -21.737 17.740 809 HD12 ILE 94 HD12 ILE 94 -6.221 -21.737 19.493 810 HD13 ILE 94 HD13 ILE 94 -7.124 -20.439 18.711 811 H LEU 95 HN LEU 95 -10.834 -26.193 20.252 812 HA LEU 95 HA LEU 95 -10.379 -25.501 22.936 813 HB2 LEU 95 HB2 LEU 95 -11.632 -23.460 22.234 814 HB3 LEU 95 HB1 LEU 95 -12.956 -24.478 21.715 815 HG LEU 95 HG LEU 95 -13.262 -25.200 24.083 816 HD11 LEU 95 HD11 LEU 95 -12.208 -23.912 25.856 817 HD12 LEU 95 HD12 LEU 95 -11.211 -23.078 24.664 818 HD13 LEU 95 HD13 LEU 95 -11.022 -24.814 24.914 819 HD21 LEU 95 HD21 LEU 95 -13.390 -22.237 23.563 820 HD22 LEU 95 HD22 LEU 95 -14.253 -23.098 24.834 821 HD23 LEU 95 HD23 LEU 95 -14.622 -23.427 23.138 822 H LYS 47 H LYS 47 8.063 0.378 24.288 823 HA LYS 47 HA LYS 47 9.310 -2.175 23.473 824 HB2 LYS 47 HB2 LYS 47 7.340 -1.540 25.658 825 HB3 LYS 47 HB1 LYS 47 7.624 -3.174 25.075 826 HG2 LYS 47 HG2 LYS 47 9.978 -2.956 25.768 827 HG3 LYS 47 HG1 LYS 47 9.611 -1.349 26.405 828 HD2 LYS 47 HD2 LYS 47 7.988 -2.307 27.937 829 HD3 LYS 47 HD1 LYS 47 8.269 -3.900 27.246 830 HE2 LYS 47 HE2 LYS 47 9.444 -3.716 29.357 831 HE3 LYS 47 HE1 LYS 47 10.592 -3.826 28.029 832 HZ1 LYS 47 HZ1 LYS 47 10.983 -1.468 28.188 833 HZ2 LYS 47 HZ2 LYS 47 11.210 -2.180 29.705 834 HZ3 LYS 47 HZ3 LYS 47 9.815 -1.303 29.391 835 H GLN 48 HN GLN 48 6.027 -0.912 24.027 836 HA GLN 48 HA GLN 48 5.225 -2.457 21.759 837 HB2 GLN 48 HB2 GLN 48 3.705 -2.399 23.659 838 HB3 GLN 48 HB1 GLN 48 3.564 -0.647 23.507 839 HG2 GLN 48 HG2 GLN 48 2.539 -0.867 21.350 840 HG3 GLN 48 HG1 GLN 48 2.777 -2.598 21.359 841 HE21 GLN 48 HE21 GLN 48 1.765 -0.837 24.211 842 HE22 GLN 48 HE22 GLN 48 0.175 -1.501 24.253 843 H THR 49 HN THR 49 5.960 -1.726 20.045 844 HA THR 49 HA THR 49 6.214 0.902 19.171 845 HB THR 49 HB THR 49 5.915 -1.684 17.648 846 HG1 THR 49 HG1 THR 49 7.761 -0.831 19.511 847 HG21 THR 49 HG21 THR 49 6.136 0.326 16.300 848 HG22 THR 49 HG22 THR 49 7.596 -0.673 16.176 849 HG23 THR 49 HG23 THR 49 7.587 0.782 17.197 850 H LEU 50 HN LEU 50 4.855 1.658 17.071 851 HA LEU 50 HA LEU 50 2.132 1.646 17.778 852 HB2 LEU 50 HB2 LEU 50 3.654 2.800 15.476 853 HB3 LEU 50 HB1 LEU 50 1.912 2.782 15.453 854 HG LEU 50 HG LEU 50 2.711 4.952 16.161 855 HD11 LEU 50 HD11 LEU 50 0.628 4.192 17.115 856 HD12 LEU 50 HD12 LEU 50 1.505 5.229 18.235 857 HD13 LEU 50 HD13 LEU 50 1.490 3.487 18.485 858 HD21 LEU 50 HD21 LEU 50 4.875 4.373 17.098 859 HD22 LEU 50 HD22 LEU 50 4.099 3.511 18.422 860 HD23 LEU 50 HD23 LEU 50 3.926 5.263 18.290 861 H LEU 51 HN LEU 51 3.893 -0.554 16.082 862 HA LEU 51 HA LEU 51 1.812 -1.568 14.412 863 HB2 LEU 51 HB2 LEU 51 3.367 -3.538 14.158 864 HB3 LEU 51 HB1 LEU 51 3.999 -1.996 13.640 865 HG LEU 51 HG LEU 51 5.188 -1.898 15.876 866 HD11 LEU 51 HD11 LEU 51 5.702 -4.037 16.966 867 HD12 LEU 51 HD12 LEU 51 4.541 -4.845 15.914 868 HD13 LEU 51 HD13 LEU 51 3.987 -3.637 17.074 869 HD21 LEU 51 HD21 LEU 51 7.020 -3.354 15.072 870 HD22 LEU 51 HD22 LEU 51 6.366 -2.262 13.850 871 HD23 LEU 51 HD23 LEU 51 5.903 -3.966 13.848 872 H SER 52 HN SER 52 1.269 -4.030 14.702 873 HA SER 52 HA SER 52 0.734 -4.616 17.509 874 HB2 SER 52 HB2 SER 52 -1.165 -3.266 16.690 875 HB3 SER 52 HB1 SER 52 -1.375 -4.359 15.333 876 HG SER 52 HG SER 52 -2.353 -4.522 17.820 877 H ASP 53 HN ASP 53 -0.971 -6.689 17.000 878 HA ASP 53 HA ASP 53 0.708 -8.878 16.345 879 HB2 ASP 53 HB2 ASP 53 -1.147 -9.141 17.887 880 HB3 ASP 53 HB1 ASP 53 -2.296 -8.687 16.636 881 H GLU 54 HN GLU 54 -1.726 -7.066 14.642 882 HA GLU 54 HA GLU 54 -2.039 -8.689 12.391 883 HB2 GLU 54 HB2 GLU 54 -2.866 -6.660 11.242 884 HB3 GLU 54 HB1 GLU 54 -3.612 -6.915 12.812 885 HG2 GLU 54 HG2 GLU 54 -2.335 -5.201 13.802 886 HG3 GLU 54 HG1 GLU 54 -1.287 -5.061 12.390 887 H ASP 55 HN ASP 55 0.532 -6.529 13.241 888 HA ASP 55 HA ASP 55 1.419 -6.209 10.555 889 HB2 ASP 55 HB2 ASP 55 2.794 -5.606 13.157 890 HB3 ASP 55 HB1 ASP 55 3.485 -5.234 11.572 891 H ALA 56 HN ALA 56 1.666 -8.681 12.737 892 HA ALA 56 HA ALA 56 3.981 -9.920 11.476 893 HB1 ALA 56 HB1 ALA 56 3.549 -10.332 13.861 894 HB2 ALA 56 HB2 ALA 56 3.443 -11.832 12.928 895 HB3 ALA 56 HB3 ALA 56 1.973 -11.011 13.446 896 H GLU 57 HN GLU 57 0.764 -9.460 10.838 897 HA GLU 57 HA GLU 57 0.255 -11.951 9.435 898 HB2 GLU 57 HB2 GLU 57 -1.415 -11.058 10.984 899 HB3 GLU 57 HB1 GLU 57 -1.354 -9.518 10.162 900 HG2 GLU 57 HG2 GLU 57 -2.362 -10.574 8.195 901 HG3 GLU 57 HG1 GLU 57 -2.503 -12.081 9.117 902 H LEU 58 HN LEU 58 0.428 -8.416 9.040 903 HA LEU 58 HA LEU 58 0.090 -8.420 6.277 904 HB2 LEU 58 HB2 LEU 58 1.517 -6.414 7.998 905 HB3 LEU 58 HB1 LEU 58 1.396 -6.233 6.265 906 HG LEU 58 HG LEU 58 -0.263 -4.922 6.900 907 HD11 LEU 58 HD11 LEU 58 -1.738 -7.512 6.851 908 HD12 LEU 58 HD12 LEU 58 -1.252 -6.542 5.468 909 HD13 LEU 58 HD13 LEU 58 -2.436 -5.913 6.617 910 HD21 LEU 58 HD21 LEU 58 -0.078 -5.118 9.267 911 HD22 LEU 58 HD22 LEU 58 -0.911 -6.673 9.243 912 HD23 LEU 58 HD23 LEU 58 -1.776 -5.199 8.808 913 H VAL 59 HN VAL 59 3.023 -8.936 8.148 914 HA VAL 59 HA VAL 59 4.748 -8.698 5.941 915 HB VAL 59 HB VAL 59 6.458 -9.933 7.183 916 HG11 VAL 59 HG11 VAL 59 4.973 -7.939 8.868 917 HG12 VAL 59 HG12 VAL 59 6.174 -7.585 7.628 918 HG13 VAL 59 HG13 VAL 59 6.649 -8.437 9.100 919 HG21 VAL 59 HG21 VAL 59 5.095 -11.631 8.238 920 HG22 VAL 59 HG22 VAL 59 4.301 -10.410 9.231 921 HG23 VAL 59 HG23 VAL 59 6.018 -10.753 9.458 922 H GLU 60 HN GLU 60 2.872 -11.478 7.035 923 HA GLU 60 HA GLU 60 4.226 -13.201 5.199 924 HB2 GLU 60 HB2 GLU 60 2.530 -14.912 5.835 925 HB3 GLU 60 HB1 GLU 60 3.406 -14.235 7.196 926 HG2 GLU 60 HG2 GLU 60 1.520 -12.862 7.773 927 HG3 GLU 60 HG1 GLU 60 0.651 -13.405 6.342 928 H ILE 61 HN ILE 61 1.611 -11.055 5.019 929 HA ILE 61 HA ILE 61 0.387 -12.248 2.703 930 HB ILE 61 HB ILE 61 0.026 -9.481 3.920 931 HG12 ILE 61 HG12 ILE 61 -1.720 -11.954 4.069 932 HG13 ILE 61 HG11 ILE 61 -0.703 -11.345 5.368 933 HG21 ILE 61 HG21 ILE 61 -1.620 -10.860 1.807 934 HG22 ILE 61 HG22 ILE 61 -0.551 -9.482 1.535 935 HG23 ILE 61 HG23 ILE 61 -1.992 -9.298 2.541 936 HD11 ILE 61 HD11 ILE 61 -3.032 -10.765 5.726 937 HD12 ILE 61 HD12 ILE 61 -3.080 -9.935 4.170 938 HD13 ILE 61 HD13 ILE 61 -2.065 -9.312 5.468 939 H VAL 62 HN VAL 62 2.566 -9.541 3.328 940 HA VAL 62 HA VAL 62 2.695 -8.771 0.631 941 HB VAL 62 HB VAL 62 3.241 -7.087 2.286 942 HG11 VAL 62 HG11 VAL 62 4.184 -8.474 4.016 943 HG12 VAL 62 HG12 VAL 62 5.267 -7.130 3.647 944 HG13 VAL 62 HG13 VAL 62 5.628 -8.752 3.046 945 HG21 VAL 62 HG21 VAL 62 5.300 -6.163 1.393 946 HG22 VAL 62 HG22 VAL 62 4.319 -6.898 0.110 947 HG23 VAL 62 HG23 VAL 62 5.726 -7.744 0.737 948 H LYS 63 HN LYS 63 4.879 -10.768 2.585 949 HA LYS 63 HA LYS 63 6.787 -11.181 0.540 950 HB2 LYS 63 HB2 LYS 63 7.660 -12.970 1.899 951 HB3 LYS 63 HB1 LYS 63 7.246 -11.607 2.924 952 HG2 LYS 63 HG2 LYS 63 5.155 -12.727 3.527 953 HG3 LYS 63 HG1 LYS 63 5.639 -14.125 2.571 954 HD2 LYS 63 HD2 LYS 63 7.093 -13.009 4.977 955 HD3 LYS 63 HD1 LYS 63 6.139 -14.491 4.931 956 HE2 LYS 63 HE2 LYS 63 7.711 -15.368 3.207 957 HE3 LYS 63 HE1 LYS 63 8.670 -13.922 3.411 958 HZ1 LYS 63 HZ1 LYS 63 8.117 -15.858 5.590 959 HZ2 LYS 63 HZ2 LYS 63 9.042 -14.456 5.701 960 HZ3 LYS 63 HZ3 LYS 63 9.570 -15.712 4.735 961 H GLU 64 HN GLU 64 3.708 -12.516 1.125 962 HA GLU 64 HA GLU 64 3.922 -14.921 -0.358 963 HB2 GLU 64 HB2 GLU 64 2.166 -14.369 1.300 964 HB3 GLU 64 HB1 GLU 64 1.515 -13.202 0.153 965 HG2 GLU 64 HG2 GLU 64 0.240 -15.086 -0.092 966 HG3 GLU 64 HG1 GLU 64 1.325 -15.073 -1.466 967 H ARG 65 HN ARG 65 2.453 -11.754 -1.022 968 HA ARG 65 HA ARG 65 2.042 -12.370 -3.759 969 HB2 ARG 65 HB2 ARG 65 1.933 -9.746 -2.288 970 HB3 ARG 65 HB1 ARG 65 1.481 -9.923 -3.983 971 HG2 ARG 65 HG2 ARG 65 -0.270 -11.547 -3.272 972 HG3 ARG 65 HG1 ARG 65 0.167 -11.217 -1.597 973 HD2 ARG 65 HD2 ARG 65 -0.447 -8.884 -1.856 974 HD3 ARG 65 HD1 ARG 65 -0.797 -9.130 -3.564 975 HE ARG 65 HE ARG 65 -2.295 -10.824 -1.789 976 HH11 ARG 65 HH11 ARG 65 -2.298 -7.562 -3.290 977 HH12 ARG 65 HH12 ARG 65 -4.024 -7.494 -3.300 978 HH21 ARG 65 HH21 ARG 65 -4.682 -10.555 -1.816 979 HH22 ARG 65 HH22 ARG 65 -5.308 -9.102 -2.476 980 H LEU 66 HN LEU 66 4.689 -11.378 -2.000 981 HA LEU 66 HA LEU 66 6.095 -10.201 -4.254 982 HB2 LEU 66 HB2 LEU 66 7.071 -10.928 -1.503 983 HB3 LEU 66 HB1 LEU 66 8.141 -10.344 -2.754 984 HG LEU 66 HG LEU 66 5.828 -8.798 -1.581 985 HD11 LEU 66 HD11 LEU 66 8.804 -8.506 -1.203 986 HD12 LEU 66 HD12 LEU 66 7.659 -9.090 0.007 987 HD13 LEU 66 HD13 LEU 66 7.574 -7.422 -0.557 988 HD21 LEU 66 HD21 LEU 66 6.258 -8.169 -3.904 989 HD22 LEU 66 HD22 LEU 66 7.973 -7.986 -3.547 990 HD23 LEU 66 HD23 LEU 66 6.800 -6.901 -2.810 991 H ARG 67 HN ARG 67 5.351 -13.348 -3.454 992 HA ARG 67 HA ARG 67 7.822 -14.541 -4.272 993 HB2 ARG 67 HB2 ARG 67 6.759 -16.652 -4.074 994 HB3 ARG 67 HB1 ARG 67 5.963 -15.670 -2.863 995 HG2 ARG 67 HG2 ARG 67 4.095 -15.318 -4.506 996 HG3 ARG 67 HG1 ARG 67 4.879 -16.508 -5.548 997 HD2 ARG 67 HD2 ARG 67 4.796 -18.079 -3.527 998 HD3 ARG 67 HD1 ARG 67 3.706 -16.902 -2.802 999 HE ARG 67 HE ARG 67 2.993 -17.789 -5.436 1000 HH11 ARG 67 HH11 ARG 67 2.291 -18.091 -1.959 1001 HH12 ARG 67 HH12 ARG 67 1.047 -19.226 -2.172 1002 HH21 ARG 67 HH21 ARG 67 1.215 -19.335 -5.707 1003 HH22 ARG 67 HH22 ARG 67 0.433 -19.969 -4.344 1004 H ASN 68 HN ASN 68 5.103 -13.176 -5.870 1005 HA ASN 68 HA ASN 68 6.403 -13.320 -8.380 1006 HB2 ASN 68 HB2 ASN 68 5.188 -15.490 -8.385 1007 HB3 ASN 68 HB1 ASN 68 3.701 -14.623 -8.012 1008 HD21 ASN 68 HD21 ASN 68 2.698 -15.319 -9.799 1009 HD22 ASN 68 HD22 ASN 68 3.063 -14.755 -11.378 1010 HA PRO 69 HA PRO 69 3.723 -9.702 -7.717 1011 HB2 PRO 69 HB2 PRO 69 5.608 -7.813 -7.546 1012 HB3 PRO 69 HB1 PRO 69 5.151 -8.819 -6.164 1013 HG2 PRO 69 HG2 PRO 69 7.624 -8.838 -7.739 1014 HG3 PRO 69 HG1 PRO 69 7.235 -9.484 -6.131 1015 HD2 PRO 69 HD2 PRO 69 7.347 -10.913 -8.677 1016 HD3 PRO 69 HD1 PRO 69 7.162 -11.575 -7.035 1017 H LYS 70 HN LYS 70 3.196 -8.145 -9.009 1018 HA LYS 70 HA LYS 70 4.603 -7.805 -11.586 1019 HB2 LYS 70 HB2 LYS 70 1.653 -8.185 -11.200 1020 HB3 LYS 70 HB1 LYS 70 2.308 -7.418 -12.627 1021 HG2 LYS 70 HG2 LYS 70 1.800 -9.637 -13.176 1022 HG3 LYS 70 HG1 LYS 70 3.549 -9.514 -13.075 1023 HD2 LYS 70 HD2 LYS 70 3.623 -10.719 -11.078 1024 HD3 LYS 70 HD1 LYS 70 1.901 -10.519 -10.764 1025 HE2 LYS 70 HE2 LYS 70 3.055 -11.961 -13.103 1026 HE3 LYS 70 HE1 LYS 70 2.549 -12.768 -11.612 1027 HZ1 LYS 70 HZ1 LYS 70 0.290 -12.056 -11.987 1028 HZ2 LYS 70 HZ2 LYS 70 0.791 -12.760 -13.441 1029 HZ3 LYS 70 HZ3 LYS 70 0.703 -11.092 -13.286 1030 HA PRO 71 HA PRO 71 3.720 -3.719 -9.809 1031 HB2 PRO 71 HB2 PRO 71 6.073 -2.562 -10.377 1032 HB3 PRO 71 HB1 PRO 71 5.789 -3.603 -8.966 1033 HG2 PRO 71 HG2 PRO 71 7.102 -4.273 -11.585 1034 HG3 PRO 71 HG1 PRO 71 7.609 -4.744 -9.950 1035 HD2 PRO 71 HD2 PRO 71 6.166 -6.419 -11.646 1036 HD3 PRO 71 HD1 PRO 71 6.140 -6.500 -9.883 1037 H VAL 72 HN VAL 72 2.277 -2.966 -11.172 1038 HA VAL 72 HA VAL 72 3.035 -2.224 -13.870 1039 HB VAL 72 HB VAL 72 0.341 -2.100 -12.458 1040 HG11 VAL 72 HG11 VAL 72 0.503 -0.425 -14.235 1041 HG12 VAL 72 HG12 VAL 72 -0.615 -1.712 -14.684 1042 HG13 VAL 72 HG13 VAL 72 1.009 -1.674 -15.373 1043 HG21 VAL 72 HG21 VAL 72 1.050 -4.393 -12.794 1044 HG22 VAL 72 HG22 VAL 72 1.409 -4.061 -14.484 1045 HG23 VAL 72 HG23 VAL 72 -0.258 -4.014 -13.919 1046 H ARG 73 HN ARG 73 3.630 -0.238 -14.298 1047 HA ARG 73 HA ARG 73 3.920 1.634 -12.187 1048 HB2 ARG 73 HB2 ARG 73 5.651 1.361 -13.858 1049 HB3 ARG 73 HB1 ARG 73 4.527 1.813 -15.128 1050 HG2 ARG 73 HG2 ARG 73 6.111 3.599 -14.554 1051 HG3 ARG 73 HG1 ARG 73 4.430 4.070 -14.314 1052 HD2 ARG 73 HD2 ARG 73 5.962 4.810 -12.483 1053 HD3 ARG 73 HD1 ARG 73 4.627 3.807 -11.942 1054 HE ARG 73 HE ARG 73 6.077 2.086 -11.472 1055 HH11 ARG 73 HH11 ARG 73 7.877 4.742 -12.975 1056 HH12 ARG 73 HH12 ARG 73 9.370 4.300 -12.283 1057 HH21 ARG 73 HH21 ARG 73 8.070 1.544 -10.471 1058 HH22 ARG 73 HH22 ARG 73 9.512 2.431 -10.820 1059 H VAL 74 HN VAL 74 2.537 3.036 -11.557 1060 HA VAL 74 HA VAL 74 0.654 4.201 -13.445 1061 HB VAL 74 HB VAL 74 -1.157 4.073 -11.699 1062 HG11 VAL 74 HG11 VAL 74 -1.750 1.714 -12.084 1063 HG12 VAL 74 HG12 VAL 74 -0.127 1.425 -12.714 1064 HG13 VAL 74 HG13 VAL 74 -1.220 2.529 -13.552 1065 HG21 VAL 74 HG21 VAL 74 -0.953 2.392 -9.924 1066 HG22 VAL 74 HG22 VAL 74 0.222 3.699 -9.754 1067 HG23 VAL 74 HG23 VAL 74 0.732 2.130 -10.380 1068 H THR 75 HN THR 75 -0.621 5.918 -12.148 1069 HA THR 75 HA THR 75 1.018 7.431 -10.300 1070 HB THR 75 HB THR 75 0.189 9.526 -11.448 1071 HG1 THR 75 HG1 THR 75 -0.407 7.899 -13.693 1072 HG21 THR 75 HG21 THR 75 1.883 7.739 -13.210 1073 HG22 THR 75 HG22 THR 75 2.477 8.776 -11.910 1074 HG23 THR 75 HG23 THR 75 1.758 9.491 -13.353 1075 H LEU 76 HN LEU 76 -0.587 9.108 -9.256 1076 HA LEU 76 HA LEU 76 -2.868 7.592 -8.393 1077 HB2 LEU 76 HB2 LEU 76 -2.024 10.407 -7.811 1078 HB3 LEU 76 HB1 LEU 76 -3.356 9.582 -7.020 1079 HG LEU 76 HG LEU 76 -0.542 8.636 -6.988 1080 HD11 LEU 76 HD11 LEU 76 -0.486 9.550 -4.677 1081 HD12 LEU 76 HD12 LEU 76 -2.094 10.234 -4.929 1082 HD13 LEU 76 HD13 LEU 76 -0.724 10.827 -5.871 1083 HD21 LEU 76 HD21 LEU 76 -2.163 6.909 -6.563 1084 HD22 LEU 76 HD22 LEU 76 -2.934 7.889 -5.312 1085 HD23 LEU 76 HD23 LEU 76 -1.284 7.292 -5.095 1086 H ASP 77 HN ASP 77 -2.207 10.030 -10.673 1087 HA ASP 77 HA ASP 77 -4.829 11.096 -10.848 1088 HB2 ASP 77 HB2 ASP 77 -2.763 12.266 -11.656 1089 HB3 ASP 77 HB1 ASP 77 -2.726 11.141 -13.012 1090 H GLU 78 HN GLU 78 -3.201 8.420 -12.367 1091 HA GLU 78 HA GLU 78 -5.440 7.994 -14.149 1092 HB2 GLU 78 HB2 GLU 78 -4.126 6.182 -15.105 1093 HB3 GLU 78 HB1 GLU 78 -3.206 7.673 -15.044 1094 HG2 GLU 78 HG2 GLU 78 -2.041 6.890 -13.074 1095 HG3 GLU 78 HG1 GLU 78 -2.955 5.387 -13.101 1096 H LEU 79 HN LEU 79 -4.965 7.320 -10.969 1097 HA LEU 79 HA LEU 79 -6.160 4.689 -11.054 1098 HB2 LEU 79 HB2 LEU 79 -5.769 6.537 -8.698 1099 HB3 LEU 79 HB1 LEU 79 -6.301 4.876 -8.609 1100 HG LEU 79 HG LEU 79 -3.577 5.887 -9.378 1101 HD11 LEU 79 HD11 LEU 79 -4.026 5.896 -7.018 1102 HD12 LEU 79 HD12 LEU 79 -2.880 4.611 -7.429 1103 HD13 LEU 79 HD13 LEU 79 -4.564 4.215 -7.093 1104 HD21 LEU 79 HD21 LEU 79 -4.114 3.987 -10.800 1105 HD22 LEU 79 HD22 LEU 79 -4.602 3.048 -9.388 1106 HD23 LEU 79 HD23 LEU 79 -2.918 3.534 -9.586 Start of MODEL 5 1 H MET 1 H MET 1 4.064 14.383 -6.056 2 HA MET 1 HA MET 1 5.004 12.177 -6.093 3 HB2 MET 1 HB2 MET 1 3.921 13.081 -8.156 4 HB3 MET 1 HB1 MET 1 5.486 13.670 -8.696 5 HG2 MET 1 HG2 MET 1 6.286 11.280 -8.651 6 HG3 MET 1 HG1 MET 1 4.617 10.800 -8.367 7 HE1 MET 1 HE1 MET 1 2.908 12.050 -11.719 8 HE2 MET 1 HE2 MET 1 3.059 12.955 -10.212 9 HE3 MET 1 HE3 MET 1 2.645 11.240 -10.175 10 H ALA 2 HN ALA 2 6.961 12.747 -4.589 11 HA ALA 2 HA ALA 2 9.455 12.915 -5.974 12 HB1 ALA 2 HB1 ALA 2 10.465 12.425 -3.781 13 HB2 ALA 2 HB2 ALA 2 8.864 12.058 -3.134 14 HB3 ALA 2 HB3 ALA 2 9.248 13.697 -3.658 15 H TYR 3 HN TYR 3 7.401 10.420 -4.766 16 HA TYR 3 HA TYR 3 9.071 8.414 -6.102 17 HB2 TYR 3 HB2 TYR 3 7.077 8.103 -3.836 18 HB3 TYR 3 HB1 TYR 3 7.766 6.742 -4.707 19 HD1 TYR 3 HD1 TYR 3 8.583 9.580 -2.475 20 HD2 TYR 3 HD2 TYR 3 9.909 5.908 -4.146 21 HE1 TYR 3 HE1 TYR 3 10.476 9.564 -0.917 22 HE2 TYR 3 HE2 TYR 3 11.810 5.878 -2.591 23 HH TYR 3 HH TYR 3 13.109 7.530 -1.319 24 H PHE 4 HN PHE 4 7.989 6.927 -7.455 25 HA PHE 4 HA PHE 4 5.590 7.998 -8.701 26 HB2 PHE 4 HB2 PHE 4 7.042 5.426 -9.387 27 HB3 PHE 4 HB1 PHE 4 5.948 6.346 -10.414 28 HD1 PHE 4 HD2 PHE 4 6.781 8.934 -10.678 29 HD2 PHE 4 HD1 PHE 4 9.241 5.560 -9.906 30 HE1 PHE 4 HE2 PHE 4 8.725 10.139 -11.587 31 HE2 PHE 4 HE1 PHE 4 11.175 6.747 -10.796 32 HZ PHE 4 HZ PHE 4 10.922 9.052 -11.648 33 H LEU 5 HN LEU 5 4.062 5.724 -9.445 34 HA LEU 5 HA LEU 5 3.448 4.587 -6.834 35 HB2 LEU 5 HB2 LEU 5 1.874 6.324 -7.468 36 HB3 LEU 5 HB1 LEU 5 1.608 5.544 -9.010 37 HG LEU 5 HG LEU 5 0.556 3.661 -7.886 38 HD11 LEU 5 HD11 LEU 5 -0.009 3.826 -5.495 39 HD12 LEU 5 HD12 LEU 5 0.947 5.301 -5.373 40 HD13 LEU 5 HD13 LEU 5 1.735 3.765 -5.740 41 HD21 LEU 5 HD21 LEU 5 -0.493 6.387 -7.238 42 HD22 LEU 5 HD22 LEU 5 -1.428 4.918 -7.072 43 HD23 LEU 5 HD23 LEU 5 -0.847 5.416 -8.670 44 H ASP 6 HN ASP 6 3.339 2.421 -6.802 45 HA ASP 6 HA ASP 6 3.021 0.971 -9.379 46 HB2 ASP 6 HB2 ASP 6 5.014 0.322 -7.189 47 HB3 ASP 6 HB1 ASP 6 4.393 -0.941 -8.227 48 H PHE 7 HN PHE 7 1.822 -0.873 -9.323 49 HA PHE 7 HA PHE 7 0.741 -1.713 -6.735 50 HB2 PHE 7 HB2 PHE 7 -0.842 -0.890 -9.121 51 HB3 PHE 7 HB1 PHE 7 -1.435 -2.199 -8.114 52 HD1 PHE 7 HD2 PHE 7 -0.630 1.384 -8.204 53 HD2 PHE 7 HD1 PHE 7 -2.336 -1.789 -5.960 54 HE1 PHE 7 HE2 PHE 7 -1.674 3.012 -6.696 55 HE2 PHE 7 HE1 PHE 7 -3.384 -0.157 -4.446 56 HZ PHE 7 HZ PHE 7 -3.055 2.246 -4.817 57 H ASP 8 HN ASP 8 0.594 -3.776 -6.432 58 HA ASP 8 HA ASP 8 1.677 -5.663 -8.276 59 HB2 ASP 8 HB2 ASP 8 1.820 -5.994 -5.838 60 HB3 ASP 8 HB1 ASP 8 0.066 -6.018 -5.726 61 H GLU 9 HN GLU 9 0.540 -7.165 -9.491 62 HA GLU 9 HA GLU 9 -1.791 -6.414 -10.737 63 HB2 GLU 9 HB2 GLU 9 -0.255 -8.906 -10.586 64 HB3 GLU 9 HB1 GLU 9 -1.928 -9.080 -11.095 65 HG2 GLU 9 HG2 GLU 9 0.032 -7.182 -12.360 66 HG3 GLU 9 HG1 GLU 9 -0.307 -8.807 -12.957 67 H ARG 10 HN ARG 10 -1.538 -8.241 -7.750 68 HA ARG 10 HA ARG 10 -4.298 -9.072 -7.847 69 HB2 ARG 10 HB2 ARG 10 -2.370 -9.067 -5.530 70 HB3 ARG 10 HB1 ARG 10 -3.884 -9.957 -5.629 71 HG2 ARG 10 HG2 ARG 10 -3.038 -11.416 -7.264 72 HG3 ARG 10 HG1 ARG 10 -1.638 -10.383 -7.564 73 HD2 ARG 10 HD2 ARG 10 -0.978 -10.795 -5.178 74 HD3 ARG 10 HD1 ARG 10 -2.233 -12.036 -5.134 75 HE ARG 10 HE ARG 10 -0.987 -13.357 -6.503 76 HH11 ARG 10 HH11 ARG 10 0.547 -10.109 -6.393 77 HH12 ARG 10 HH12 ARG 10 2.035 -10.630 -6.877 78 HH21 ARG 10 HH21 ARG 10 1.159 -14.093 -7.207 79 HH22 ARG 10 HH22 ARG 10 2.418 -12.959 -7.351 80 H ALA 11 HN ALA 11 -2.371 -6.590 -6.284 81 HA ALA 11 HA ALA 11 -4.346 -5.594 -4.479 82 HB1 ALA 11 HB1 ALA 11 -1.917 -4.222 -5.631 83 HB2 ALA 11 HB2 ALA 11 -1.950 -5.195 -4.162 84 HB3 ALA 11 HB3 ALA 11 -2.837 -3.671 -4.234 85 H LEU 12 HN LEU 12 -3.462 -4.947 -7.691 86 HA LEU 12 HA LEU 12 -4.875 -2.578 -8.328 87 HB2 LEU 12 HB2 LEU 12 -3.027 -4.091 -9.455 88 HB3 LEU 12 HB1 LEU 12 -4.408 -4.907 -10.128 89 HG LEU 12 HG LEU 12 -3.933 -1.970 -10.518 90 HD11 LEU 12 HD11 LEU 12 -1.996 -3.210 -11.239 91 HD12 LEU 12 HD12 LEU 12 -2.879 -2.594 -12.644 92 HD13 LEU 12 HD13 LEU 12 -3.009 -4.300 -12.179 93 HD21 LEU 12 HD21 LEU 12 -5.326 -2.316 -12.488 94 HD22 LEU 12 HD22 LEU 12 -6.189 -2.810 -11.023 95 HD23 LEU 12 HD23 LEU 12 -5.486 -4.029 -12.090 96 H LYS 13 HN LYS 13 -5.780 -5.985 -8.378 97 HA LYS 13 HA LYS 13 -8.403 -5.374 -9.430 98 HB2 LYS 13 HB2 LYS 13 -7.601 -7.995 -8.170 99 HB3 LYS 13 HB1 LYS 13 -8.813 -7.707 -9.410 100 HG2 LYS 13 HG2 LYS 13 -5.827 -7.538 -9.738 101 HG3 LYS 13 HG1 LYS 13 -6.894 -8.790 -10.361 102 HD2 LYS 13 HD2 LYS 13 -7.859 -7.329 -11.935 103 HD3 LYS 13 HD1 LYS 13 -7.196 -5.903 -11.138 104 HE2 LYS 13 HE2 LYS 13 -5.946 -6.444 -13.183 105 HE3 LYS 13 HE1 LYS 13 -4.939 -6.555 -11.748 106 HZ1 LYS 13 HZ1 LYS 13 -4.455 -8.384 -13.104 107 HZ2 LYS 13 HZ2 LYS 13 -6.069 -8.799 -13.329 108 HZ3 LYS 13 HZ3 LYS 13 -5.340 -9.009 -11.815 109 H GLU 14 HN GLU 14 -6.888 -5.505 -6.418 110 HA GLU 14 HA GLU 14 -9.184 -6.055 -4.860 111 HB2 GLU 14 HB2 GLU 14 -6.503 -4.917 -4.191 112 HB3 GLU 14 HB1 GLU 14 -7.737 -5.228 -2.973 113 HG2 GLU 14 HG2 GLU 14 -7.744 -7.610 -3.682 114 HG3 GLU 14 HG1 GLU 14 -6.460 -7.244 -4.821 115 H TRP 15 HN TRP 15 -7.505 -3.086 -5.818 116 HA TRP 15 HA TRP 15 -9.365 -1.469 -4.411 117 HB2 TRP 15 HB2 TRP 15 -8.378 0.471 -5.302 118 HB3 TRP 15 HB1 TRP 15 -7.063 -0.673 -5.377 119 HD1 TRP 15 HD1 TRP 15 -9.819 0.494 -7.942 120 HE1 TRP 15 HE1 TRP 15 -8.665 1.076 -10.138 121 HE3 TRP 15 HE3 TRP 15 -5.004 -0.712 -6.735 122 HZ2 TRP 15 HZ2 TRP 15 -6.157 0.986 -11.268 123 HZ3 TRP 15 HZ3 TRP 15 -3.296 -0.429 -8.477 124 HH2 TRP 15 HH2 TRP 15 -3.857 0.398 -10.688 125 H ARG 16 HN ARG 16 -9.529 -3.111 -7.315 126 HA ARG 16 HA ARG 16 -11.622 -1.603 -8.534 127 HB2 ARG 16 HB2 ARG 16 -10.853 -4.467 -9.069 128 HB3 ARG 16 HB1 ARG 16 -11.850 -3.440 -10.088 129 HG2 ARG 16 HG2 ARG 16 -8.948 -2.995 -9.454 130 HG3 ARG 16 HG1 ARG 16 -9.573 -3.652 -10.952 131 HD2 ARG 16 HD2 ARG 16 -10.092 -0.922 -9.852 132 HD3 ARG 16 HD1 ARG 16 -8.967 -1.343 -11.141 133 HE ARG 16 HE ARG 16 -11.552 -2.281 -11.792 134 HH11 ARG 16 HH11 ARG 16 -9.759 0.803 -11.711 135 HH12 ARG 16 HH12 ARG 16 -10.886 1.584 -12.690 136 HH21 ARG 16 HH21 ARG 16 -13.020 -1.147 -13.155 137 HH22 ARG 16 HH22 ARG 16 -12.729 0.485 -13.563 138 H LYS 17 HN LYS 17 -11.580 -4.213 -6.196 139 HA LYS 17 HA LYS 17 -14.374 -4.760 -6.666 140 HB2 LYS 17 HB2 LYS 17 -14.155 -6.520 -4.957 141 HB3 LYS 17 HB1 LYS 17 -12.989 -6.673 -6.247 142 HG2 LYS 17 HG2 LYS 17 -11.761 -7.196 -4.316 143 HG3 LYS 17 HG1 LYS 17 -11.332 -5.536 -4.664 144 HD2 LYS 17 HD2 LYS 17 -11.682 -5.780 -2.277 145 HD3 LYS 17 HD1 LYS 17 -12.961 -4.772 -2.950 146 HE2 LYS 17 HE2 LYS 17 -14.470 -6.717 -2.966 147 HE3 LYS 17 HE1 LYS 17 -13.184 -7.712 -2.286 148 HZ1 LYS 17 HZ1 LYS 17 -14.670 -7.012 -0.560 149 HZ2 LYS 17 HZ2 LYS 17 -14.524 -5.403 -0.980 150 HZ3 LYS 17 HZ3 LYS 17 -13.218 -6.210 -0.317 151 H LEU 18 HN LEU 18 -12.767 -2.477 -4.888 152 HA LEU 18 HA LEU 18 -14.863 -2.519 -2.881 153 HB2 LEU 18 HB2 LEU 18 -13.329 -1.044 -1.511 154 HB3 LEU 18 HB1 LEU 18 -12.846 -2.708 -1.719 155 HG LEU 18 HG LEU 18 -11.308 -1.853 -3.574 156 HD11 LEU 18 HD11 LEU 18 -12.251 0.361 -3.849 157 HD12 LEU 18 HD12 LEU 18 -10.543 0.414 -3.411 158 HD13 LEU 18 HD13 LEU 18 -11.771 0.773 -2.198 159 HD21 LEU 18 HD21 LEU 18 -10.476 -2.666 -1.473 160 HD22 LEU 18 HD22 LEU 18 -10.778 -1.100 -0.714 161 HD23 LEU 18 HD23 LEU 18 -9.563 -1.250 -1.985 162 H GLY 19 HN GLY 19 -15.357 -0.286 -1.943 163 HA2 GLY 19 HA2 GLY 19 -16.700 1.145 -3.951 164 HA3 GLY 19 HA1 GLY 19 -16.464 1.672 -2.289 165 H SER 20 HN SER 20 -16.246 2.994 -4.999 166 HA SER 20 HA SER 20 -13.555 3.504 -5.542 167 HB2 SER 20 HB2 SER 20 -15.954 5.212 -6.157 168 HB3 SER 20 HB1 SER 20 -14.363 5.377 -6.909 169 HG SER 20 HG SER 20 -15.795 2.942 -6.945 170 H THR 21 HN THR 21 -15.805 5.133 -3.373 171 HA THR 21 HA THR 21 -14.200 7.372 -2.800 172 HB THR 21 HB THR 21 -16.252 6.020 -1.031 173 HG1 THR 21 HG1 THR 21 -16.444 7.176 -3.413 174 HG21 THR 21 HG21 THR 21 -16.570 8.294 -0.098 175 HG22 THR 21 HG22 THR 21 -15.257 8.884 -1.118 176 HG23 THR 21 HG23 THR 21 -14.922 7.722 0.161 177 H VAL 22 HN VAL 22 -14.091 4.079 -1.644 178 HA VAL 22 HA VAL 22 -12.479 4.544 0.641 179 HB VAL 22 HB VAL 22 -12.849 2.051 -1.051 180 HG11 VAL 22 HG11 VAL 22 -11.821 0.812 0.802 181 HG12 VAL 22 HG12 VAL 22 -11.495 2.331 1.633 182 HG13 VAL 22 HG13 VAL 22 -10.686 1.970 0.107 183 HG21 VAL 22 HG21 VAL 22 -14.861 2.748 0.115 184 HG22 VAL 22 HG22 VAL 22 -13.963 2.828 1.637 185 HG23 VAL 22 HG23 VAL 22 -14.207 1.278 0.842 186 H ARG 23 HN ARG 23 -11.797 3.724 -2.725 187 HA ARG 23 HA ARG 23 -8.999 3.699 -2.197 188 HB2 ARG 23 HB2 ARG 23 -8.627 3.308 -4.553 189 HB3 ARG 23 HB1 ARG 23 -9.901 2.263 -3.963 190 HG2 ARG 23 HG2 ARG 23 -11.543 3.881 -4.944 191 HG3 ARG 23 HG1 ARG 23 -10.171 4.709 -5.682 192 HD2 ARG 23 HD2 ARG 23 -9.514 2.548 -6.722 193 HD3 ARG 23 HD1 ARG 23 -11.009 1.854 -6.101 194 HE ARG 23 HE ARG 23 -11.159 4.218 -7.786 195 HH11 ARG 23 HH11 ARG 23 -11.796 0.715 -7.425 196 HH12 ARG 23 HH12 ARG 23 -12.631 0.598 -8.901 197 HH21 ARG 23 HH21 ARG 23 -12.238 4.024 -9.792 198 HH22 ARG 23 HH22 ARG 23 -12.861 2.547 -10.345 199 H GLU 24 HN GLU 24 -11.238 6.163 -3.052 200 HA GLU 24 HA GLU 24 -9.281 8.004 -3.955 201 HB2 GLU 24 HB2 GLU 24 -12.001 8.561 -2.728 202 HB3 GLU 24 HB1 GLU 24 -10.999 9.761 -3.537 203 HG2 GLU 24 HG2 GLU 24 -11.136 8.420 -5.612 204 HG3 GLU 24 HG1 GLU 24 -12.220 7.309 -4.787 205 H GLN 25 HN GLN 25 -10.622 7.227 -0.793 206 HA GLN 25 HA GLN 25 -9.220 9.153 0.715 207 HB2 GLN 25 HB2 GLN 25 -10.066 6.351 1.486 208 HB3 GLN 25 HB1 GLN 25 -9.441 7.535 2.617 209 HG2 GLN 25 HG2 GLN 25 -11.380 8.970 2.158 210 HG3 GLN 25 HG1 GLN 25 -11.988 7.756 1.028 211 HE21 GLN 25 HE21 GLN 25 -12.825 5.864 1.812 212 HE22 GLN 25 HE22 GLN 25 -13.205 5.600 3.487 213 H LEU 26 HN LEU 26 -8.395 5.889 -0.311 214 HA LEU 26 HA LEU 26 -5.868 5.647 0.868 215 HB2 LEU 26 HB2 LEU 26 -6.880 4.467 -1.718 216 HB3 LEU 26 HB1 LEU 26 -5.378 4.006 -0.952 217 HG LEU 26 HG LEU 26 -8.120 3.625 0.262 218 HD11 LEU 26 HD11 LEU 26 -6.250 1.641 -1.016 219 HD12 LEU 26 HD12 LEU 26 -7.778 2.185 -1.688 220 HD13 LEU 26 HD13 LEU 26 -7.755 1.255 -0.190 221 HD21 LEU 26 HD21 LEU 26 -6.387 3.894 1.952 222 HD22 LEU 26 HD22 LEU 26 -5.388 2.692 1.140 223 HD23 LEU 26 HD23 LEU 26 -6.916 2.212 1.878 224 H LYS 27 HN LYS 27 -6.819 7.038 -2.218 225 HA LYS 27 HA LYS 27 -4.266 7.510 -3.265 226 HB2 LYS 27 HB2 LYS 27 -6.825 9.017 -3.729 227 HB3 LYS 27 HB1 LYS 27 -5.331 9.297 -4.613 228 HG2 LYS 27 HG2 LYS 27 -5.400 7.009 -5.459 229 HG3 LYS 27 HG1 LYS 27 -6.885 6.721 -4.554 230 HD2 LYS 27 HD2 LYS 27 -7.392 7.215 -6.883 231 HD3 LYS 27 HD1 LYS 27 -8.001 8.492 -5.829 232 HE2 LYS 27 HE2 LYS 27 -6.064 9.876 -6.364 233 HE3 LYS 27 HE1 LYS 27 -5.415 8.599 -7.388 234 HZ1 LYS 27 HZ1 LYS 27 -7.921 10.125 -7.819 235 HZ2 LYS 27 HZ2 LYS 27 -7.435 8.831 -8.760 236 HZ3 LYS 27 HZ3 LYS 27 -6.498 10.242 -8.721 237 H LYS 28 HN LYS 28 -6.097 9.279 -0.911 238 HA LYS 28 HA LYS 28 -4.483 11.612 -1.128 239 HB2 LYS 28 HB2 LYS 28 -6.186 10.771 1.222 240 HB3 LYS 28 HB1 LYS 28 -5.542 12.375 0.921 241 HG2 LYS 28 HG2 LYS 28 -7.699 10.933 -0.608 242 HG3 LYS 28 HG1 LYS 28 -7.835 12.419 0.329 243 HD2 LYS 28 HD2 LYS 28 -6.322 12.059 -2.275 244 HD3 LYS 28 HD1 LYS 28 -7.859 12.890 -2.065 245 HE2 LYS 28 HE2 LYS 28 -5.234 13.729 -0.833 246 HE3 LYS 28 HE1 LYS 28 -5.945 14.432 -2.278 247 HZ1 LYS 28 HZ1 LYS 28 -7.175 14.468 0.422 248 HZ2 LYS 28 HZ2 LYS 28 -7.820 15.157 -0.965 249 HZ3 LYS 28 HZ3 LYS 28 -6.362 15.750 -0.322 250 H LYS 29 HN LYS 29 -4.371 8.692 0.712 251 HA LYS 29 HA LYS 29 -2.233 9.578 2.385 252 HB2 LYS 29 HB2 LYS 29 -3.652 6.980 2.014 253 HB3 LYS 29 HB1 LYS 29 -2.062 6.955 2.768 254 HG2 LYS 29 HG2 LYS 29 -3.899 7.061 4.412 255 HG3 LYS 29 HG1 LYS 29 -2.811 8.445 4.505 256 HD2 LYS 29 HD2 LYS 29 -4.470 9.659 3.027 257 HD3 LYS 29 HD1 LYS 29 -5.576 8.321 3.338 258 HE2 LYS 29 HE2 LYS 29 -5.940 10.211 4.812 259 HE3 LYS 29 HE1 LYS 29 -5.477 8.745 5.693 260 HZ1 LYS 29 HZ1 LYS 29 -3.513 10.886 4.970 261 HZ2 LYS 29 HZ2 LYS 29 -3.298 9.606 6.037 262 HZ3 LYS 29 HZ3 LYS 29 -4.352 10.849 6.435 263 H LEU 30 HN LEU 30 -2.571 8.136 -0.606 264 HA LEU 30 HA LEU 30 0.138 7.316 -0.866 265 HB2 LEU 30 HB2 LEU 30 -1.956 7.751 -2.983 266 HB3 LEU 30 HB1 LEU 30 -0.365 7.096 -3.305 267 HG LEU 30 HG LEU 30 -2.457 5.809 -1.544 268 HD11 LEU 30 HD11 LEU 30 -1.504 5.083 -4.306 269 HD12 LEU 30 HD12 LEU 30 -3.084 5.745 -3.892 270 HD13 LEU 30 HD13 LEU 30 -2.622 4.141 -3.321 271 HD21 LEU 30 HD21 LEU 30 -0.947 3.866 -1.567 272 HD22 LEU 30 HD22 LEU 30 -0.202 5.259 -0.797 273 HD23 LEU 30 HD23 LEU 30 0.251 4.816 -2.445 274 H VAL 31 HN VAL 31 -1.646 10.213 -1.808 275 HA VAL 31 HA VAL 31 0.519 11.299 -3.279 276 HB VAL 31 HB VAL 31 -1.896 11.948 -3.603 277 HG11 VAL 31 HG11 VAL 31 -1.490 13.660 -1.177 278 HG12 VAL 31 HG12 VAL 31 -2.540 12.256 -1.301 279 HG13 VAL 31 HG13 VAL 31 -2.885 13.702 -2.259 280 HG21 VAL 31 HG21 VAL 31 -1.436 14.316 -4.115 281 HG22 VAL 31 HG22 VAL 31 -0.171 13.228 -4.674 282 HG23 VAL 31 HG23 VAL 31 0.071 14.183 -3.210 283 H GLU 32 HN GLU 32 -0.094 11.133 0.107 284 HA GLU 32 HA GLU 32 1.663 13.379 0.618 285 HB2 GLU 32 HB2 GLU 32 1.065 13.007 3.014 286 HB3 GLU 32 HB1 GLU 32 -0.346 13.296 2.012 287 HG2 GLU 32 HG2 GLU 32 -0.806 10.909 1.977 288 HG3 GLU 32 HG1 GLU 32 0.614 10.612 2.968 289 H VAL 33 HN VAL 33 1.511 9.945 0.554 290 HA VAL 33 HA VAL 33 3.794 9.518 2.186 291 HB VAL 33 HB VAL 33 1.791 7.937 1.730 292 HG11 VAL 33 HG11 VAL 33 2.126 6.213 0.059 293 HG12 VAL 33 HG12 VAL 33 3.593 7.026 -0.487 294 HG13 VAL 33 HG13 VAL 33 2.036 7.808 -0.710 295 HG21 VAL 33 HG21 VAL 33 4.579 6.968 1.803 296 HG22 VAL 33 HG22 VAL 33 3.121 6.037 2.248 297 HG23 VAL 33 HG23 VAL 33 3.571 7.503 3.166 298 H LEU 34 HN LEU 34 3.232 10.102 -1.146 299 HA LEU 34 HA LEU 34 5.664 9.038 -2.141 300 HB2 LEU 34 HB2 LEU 34 3.942 11.238 -3.274 301 HB3 LEU 34 HB1 LEU 34 5.234 10.425 -4.130 302 HG LEU 34 HG LEU 34 2.717 9.122 -3.135 303 HD11 LEU 34 HD11 LEU 34 2.112 8.985 -5.523 304 HD12 LEU 34 HD12 LEU 34 3.567 9.895 -5.936 305 HD13 LEU 34 HD13 LEU 34 2.286 10.659 -4.995 306 HD21 LEU 34 HD21 LEU 34 3.437 7.221 -4.509 307 HD22 LEU 34 HD22 LEU 34 4.551 7.556 -3.188 308 HD23 LEU 34 HD23 LEU 34 4.961 8.045 -4.833 309 H GLU 35 HN GLU 35 4.935 11.873 -0.362 310 HA GLU 35 HA GLU 35 7.444 13.085 -1.141 311 HB2 GLU 35 HB2 GLU 35 5.193 14.126 0.563 312 HB3 GLU 35 HB1 GLU 35 6.605 15.024 0.037 313 HG2 GLU 35 HG2 GLU 35 4.381 13.950 -1.683 314 HG3 GLU 35 HG1 GLU 35 4.745 15.641 -1.338 315 H SER 36 HN SER 36 5.873 11.367 1.431 316 HA SER 36 HA SER 36 8.339 11.314 2.906 317 HB2 SER 36 HB2 SER 36 5.794 12.408 4.123 318 HB3 SER 36 HB1 SER 36 7.216 11.957 5.057 319 HG SER 36 HG SER 36 7.790 13.594 2.951 320 HA PRO 37 HA PRO 37 6.157 7.332 3.305 321 HB2 PRO 37 HB2 PRO 37 7.892 5.757 2.095 322 HB3 PRO 37 HB1 PRO 37 6.852 6.831 1.156 323 HG2 PRO 37 HG2 PRO 37 9.742 7.121 1.841 324 HG3 PRO 37 HG1 PRO 37 8.899 7.554 0.345 325 HD2 PRO 37 HD2 PRO 37 9.571 9.303 2.433 326 HD3 PRO 37 HD1 PRO 37 8.432 9.640 1.118 327 H ARG 38 HN ARG 38 9.027 8.581 4.593 328 HA ARG 38 HA ARG 38 9.811 6.135 5.934 329 HB2 ARG 38 HB2 ARG 38 10.946 8.924 6.204 330 HB3 ARG 38 HB1 ARG 38 11.575 7.505 7.021 331 HG2 ARG 38 HG2 ARG 38 12.083 6.510 4.822 332 HG3 ARG 38 HG1 ARG 38 11.531 7.999 4.050 333 HD2 ARG 38 HD2 ARG 38 13.801 7.759 6.028 334 HD3 ARG 38 HD1 ARG 38 13.972 7.973 4.287 335 HE ARG 38 HE ARG 38 12.514 10.081 4.907 336 HH11 ARG 38 HH11 ARG 38 15.377 8.829 6.562 337 HH12 ARG 38 HH12 ARG 38 15.977 10.336 7.049 338 HH21 ARG 38 HH21 ARG 38 13.330 12.221 5.593 339 HH22 ARG 38 HH22 ARG 38 14.776 12.310 6.484 340 H ILE 39 HN ILE 39 7.853 5.817 7.034 341 HA ILE 39 HA ILE 39 7.740 7.398 9.500 342 HB ILE 39 HB ILE 39 5.338 6.161 8.100 343 HG12 ILE 39 HG12 ILE 39 6.069 9.086 8.462 344 HG13 ILE 39 HG11 ILE 39 6.217 8.192 6.956 345 HG21 ILE 39 HG21 ILE 39 4.011 7.301 9.838 346 HG22 ILE 39 HG22 ILE 39 5.497 7.872 10.595 347 HG23 ILE 39 HG23 ILE 39 5.144 6.146 10.548 348 HD11 ILE 39 HD11 ILE 39 3.797 7.899 6.891 349 HD12 ILE 39 HD12 ILE 39 4.234 9.605 7.000 350 HD13 ILE 39 HD13 ILE 39 3.650 8.753 8.428 351 H GLU 40 HN GLU 40 8.654 6.165 10.915 352 HA GLU 40 HA GLU 40 8.961 3.406 10.898 353 HB2 GLU 40 HB2 GLU 40 9.758 3.580 13.190 354 HB3 GLU 40 HB1 GLU 40 10.372 4.921 12.244 355 HG2 GLU 40 HG2 GLU 40 8.086 5.044 14.222 356 HG3 GLU 40 HG1 GLU 40 9.727 5.612 14.506 357 H ALA 41 HN ALA 41 6.440 5.323 12.250 358 HA ALA 41 HA ALA 41 5.153 3.355 13.805 359 HB1 ALA 41 HB1 ALA 41 4.698 5.746 14.045 360 HB2 ALA 41 HB2 ALA 41 3.213 4.825 13.800 361 HB3 ALA 41 HB3 ALA 41 3.907 5.755 12.469 362 H ASN 42 HN ASN 42 5.134 3.873 10.360 363 HA ASN 42 HA ASN 42 2.829 2.157 10.090 364 HB2 ASN 42 HB2 ASN 42 4.407 3.731 8.065 365 HB3 ASN 42 HB1 ASN 42 3.078 2.649 7.649 366 HD21 ASN 42 HD21 ASN 42 3.440 5.532 7.400 367 HD22 ASN 42 HD22 ASN 42 2.066 6.247 8.177 368 H LYS 43 HN LYS 43 6.130 1.782 10.319 369 HA LYS 43 HA LYS 43 6.702 -0.190 8.394 370 HB2 LYS 43 HB2 LYS 43 7.862 0.425 11.084 371 HB3 LYS 43 HB1 LYS 43 8.508 -0.898 10.099 372 HG2 LYS 43 HG2 LYS 43 9.041 0.791 8.361 373 HG3 LYS 43 HG1 LYS 43 8.437 2.052 9.437 374 HD2 LYS 43 HD2 LYS 43 10.107 1.347 11.127 375 HD3 LYS 43 HD1 LYS 43 10.741 0.174 9.977 376 HE2 LYS 43 HE2 LYS 43 10.695 3.171 9.587 377 HE3 LYS 43 HE1 LYS 43 12.091 2.235 10.093 378 HZ1 LYS 43 HZ1 LYS 43 12.319 2.637 7.825 379 HZ2 LYS 43 HZ2 LYS 43 10.772 2.253 7.425 380 HZ3 LYS 43 HZ3 LYS 43 11.851 1.030 7.871 381 H LEU 44 HN LEU 44 6.760 -2.453 8.482 382 HA LEU 44 HA LEU 44 4.778 -3.668 10.186 383 HB2 LEU 44 HB2 LEU 44 6.462 -4.710 7.939 384 HB3 LEU 44 HB1 LEU 44 5.301 -5.683 8.810 385 HG LEU 44 HG LEU 44 4.676 -3.276 7.087 386 HD11 LEU 44 HD11 LEU 44 4.147 -6.213 6.656 387 HD12 LEU 44 HD12 LEU 44 5.338 -5.240 5.799 388 HD13 LEU 44 HD13 LEU 44 3.616 -4.902 5.605 389 HD21 LEU 44 HD21 LEU 44 2.844 -5.155 8.575 390 HD22 LEU 44 HD22 LEU 44 2.330 -3.923 7.426 391 HD23 LEU 44 HD23 LEU 44 3.103 -3.448 8.936 392 H ARG 45 HN ARG 45 5.437 -6.044 10.814 393 HA ARG 45 HA ARG 45 7.092 -5.824 13.054 394 HB2 ARG 45 HB2 ARG 45 5.266 -7.535 12.781 395 HB3 ARG 45 HB1 ARG 45 6.337 -8.441 11.725 396 HG2 ARG 45 HG2 ARG 45 7.942 -8.694 13.589 397 HG3 ARG 45 HG1 ARG 45 6.839 -7.816 14.641 398 HD2 ARG 45 HD2 ARG 45 6.540 -10.142 15.091 399 HD3 ARG 45 HD1 ARG 45 5.126 -9.613 14.186 400 HE ARG 45 HE ARG 45 6.983 -10.582 12.357 401 HH11 ARG 45 HH11 ARG 45 4.931 -11.958 14.970 402 HH12 ARG 45 HH12 ARG 45 4.922 -13.502 14.293 403 HH21 ARG 45 HH21 ARG 45 6.975 -12.767 11.497 404 HH22 ARG 45 HH22 ARG 45 6.121 -13.984 12.321 405 H GLY 46 HN GLY 46 7.843 -7.676 10.086 406 HA2 GLY 46 HA2 GLY 46 10.682 -7.335 10.808 407 HA3 GLY 46 HA1 GLY 46 10.057 -8.863 10.223 408 H MET 47 HN MET 47 9.099 -5.743 9.038 409 HA MET 47 HA MET 47 10.671 -6.159 6.621 410 HB2 MET 47 HB2 MET 47 7.725 -5.412 6.625 411 HB3 MET 47 HB1 MET 47 8.779 -5.444 5.225 412 HG2 MET 47 HG2 MET 47 7.978 -7.842 6.856 413 HG3 MET 47 HG1 MET 47 7.259 -7.365 5.321 414 HE1 MET 47 HE1 MET 47 9.260 -10.556 4.302 415 HE2 MET 47 HE2 MET 47 7.713 -9.720 4.198 416 HE3 MET 47 HE3 MET 47 8.307 -10.281 5.760 417 HA PRO 48 HA PRO 48 11.338 -2.034 8.443 418 HB2 PRO 48 HB2 PRO 48 13.632 -2.057 6.590 419 HB3 PRO 48 HB1 PRO 48 13.605 -1.802 8.338 420 HG2 PRO 48 HG2 PRO 48 14.552 -4.068 7.278 421 HG3 PRO 48 HG1 PRO 48 13.641 -4.072 8.798 422 HD2 PRO 48 HD2 PRO 48 12.736 -4.806 6.042 423 HD3 PRO 48 HD1 PRO 48 12.386 -5.594 7.598 424 H ASP 49 HN ASP 49 11.387 -2.898 5.041 425 HA ASP 49 HA ASP 49 10.937 -0.109 4.289 426 HB2 ASP 49 HB2 ASP 49 11.249 -0.941 1.927 427 HB3 ASP 49 HB1 ASP 49 12.665 -1.005 2.955 428 H CYS 50 HN CYS 50 9.047 -2.540 5.159 429 HA CYS 50 HA CYS 50 7.040 -1.822 3.175 430 HB2 CYS 50 HB2 CYS 50 7.133 -4.303 4.893 431 HB3 CYS 50 HB1 CYS 50 5.936 -3.935 3.661 432 HG CYS 50 HG CYS 50 9.205 -4.073 2.701 433 H TYR 51 HN TYR 51 5.381 -0.769 3.819 434 HA TYR 51 HA TYR 51 4.967 -0.312 6.676 435 HB2 TYR 51 HB2 TYR 51 4.671 1.652 4.395 436 HB3 TYR 51 HB1 TYR 51 4.378 1.982 6.090 437 HD1 TYR 51 HD2 TYR 51 7.063 1.022 3.701 438 HD2 TYR 51 HD1 TYR 51 6.111 2.814 7.419 439 HE1 TYR 51 HE2 TYR 51 9.388 1.773 3.926 440 HE2 TYR 51 HE1 TYR 51 8.430 3.576 7.641 441 HH TYR 51 HH TYR 51 10.643 3.451 5.074 442 H LYS 52 HN LYS 52 2.768 0.610 6.989 443 HA LYS 52 HA LYS 52 0.723 -0.410 5.173 444 HB2 LYS 52 HB2 LYS 52 -0.454 -1.329 7.037 445 HB3 LYS 52 HB1 LYS 52 1.117 -2.098 6.819 446 HG2 LYS 52 HG2 LYS 52 2.044 -0.799 8.569 447 HG3 LYS 52 HG1 LYS 52 0.532 0.092 8.748 448 HD2 LYS 52 HD2 LYS 52 -0.585 -1.984 9.256 449 HD3 LYS 52 HD1 LYS 52 0.979 -2.811 9.170 450 HE2 LYS 52 HE2 LYS 52 0.229 -0.587 11.033 451 HE3 LYS 52 HE1 LYS 52 0.376 -2.356 11.211 452 HZ1 LYS 52 HZ1 LYS 52 2.769 -0.801 10.355 453 HZ2 LYS 52 HZ2 LYS 52 2.657 -2.314 11.119 454 HZ3 LYS 52 HZ3 LYS 52 2.385 -0.951 11.993 455 H ILE 53 HN ILE 53 -1.155 0.791 5.267 456 HA ILE 53 HA ILE 53 -1.367 2.870 7.288 457 HB ILE 53 HB ILE 53 -2.151 3.337 4.369 458 HG12 ILE 53 HG12 ILE 53 0.245 4.470 5.849 459 HG13 ILE 53 HG11 ILE 53 0.308 3.192 4.641 460 HG21 ILE 53 HG21 ILE 53 -3.448 4.593 6.022 461 HG22 ILE 53 HG22 ILE 53 -2.394 5.703 5.131 462 HG23 ILE 53 HG23 ILE 53 -1.970 5.178 6.766 463 HD11 ILE 53 HD11 ILE 53 0.964 5.342 3.713 464 HD12 ILE 53 HD12 ILE 53 -0.601 6.022 4.168 465 HD13 ILE 53 HD13 ILE 53 -0.510 4.743 2.952 466 H LYS 54 HN LYS 54 -3.639 3.422 7.618 467 HA LYS 54 HA LYS 54 -5.490 1.401 6.672 468 HB2 LYS 54 HB2 LYS 54 -6.299 1.231 9.071 469 HB3 LYS 54 HB1 LYS 54 -4.757 0.459 8.709 470 HG2 LYS 54 HG2 LYS 54 -3.563 2.364 9.617 471 HG3 LYS 54 HG1 LYS 54 -5.086 3.177 9.957 472 HD2 LYS 54 HD2 LYS 54 -4.083 2.182 11.925 473 HD3 LYS 54 HD1 LYS 54 -5.664 1.469 11.557 474 HE2 LYS 54 HE2 LYS 54 -4.604 -0.471 10.607 475 HE3 LYS 54 HE1 LYS 54 -2.997 0.236 10.800 476 HZ1 LYS 54 HZ1 LYS 54 -3.392 0.182 13.231 477 HZ2 LYS 54 HZ2 LYS 54 -3.369 -1.342 12.545 478 HZ3 LYS 54 HZ3 LYS 54 -4.848 -0.645 12.974 479 H LEU 55 HN LEU 55 -7.382 2.248 6.224 480 HA LEU 55 HA LEU 55 -7.901 5.024 6.753 481 HB2 LEU 55 HB2 LEU 55 -9.628 2.916 5.454 482 HB3 LEU 55 HB1 LEU 55 -10.016 4.618 5.548 483 HG LEU 55 HG LEU 55 -7.762 3.382 3.988 484 HD11 LEU 55 HD11 LEU 55 -9.931 2.970 3.025 485 HD12 LEU 55 HD12 LEU 55 -9.056 4.158 2.057 486 HD13 LEU 55 HD13 LEU 55 -10.339 4.681 3.147 487 HD21 LEU 55 HD21 LEU 55 -7.428 5.657 3.091 488 HD22 LEU 55 HD22 LEU 55 -7.095 5.568 4.817 489 HD23 LEU 55 HD23 LEU 55 -8.611 6.272 4.248 490 H ARG 56 HN ARG 56 -8.145 5.194 8.835 491 HA ARG 56 HA ARG 56 -9.456 3.462 10.594 492 HB2 ARG 56 HB2 ARG 56 -9.503 5.440 12.128 493 HB3 ARG 56 HB1 ARG 56 -7.924 5.024 11.479 494 HG2 ARG 56 HG2 ARG 56 -8.143 6.828 9.826 495 HG3 ARG 56 HG1 ARG 56 -9.710 7.256 10.514 496 HD2 ARG 56 HD2 ARG 56 -8.687 7.799 12.617 497 HD3 ARG 56 HD1 ARG 56 -7.120 7.232 12.043 498 HE ARG 56 HE ARG 56 -8.049 9.220 10.314 499 HH11 ARG 56 HH11 ARG 56 -6.870 8.880 13.634 500 HH12 ARG 56 HH12 ARG 56 -6.218 10.449 13.720 501 HH21 ARG 56 HH21 ARG 56 -7.155 11.378 10.436 502 HH22 ARG 56 HH22 ARG 56 -6.339 11.885 11.845 503 H SER 57 HN SER 57 -10.779 5.695 8.370 504 HA SER 57 HA SER 57 -13.299 6.030 9.676 505 HB2 SER 57 HB2 SER 57 -13.649 7.233 7.455 506 HB3 SER 57 HB1 SER 57 -12.420 7.882 8.554 507 HG SER 57 HG SER 57 -11.977 7.284 6.103 508 H SER 58 HN SER 58 -11.942 3.488 7.982 509 HA SER 58 HA SER 58 -14.564 2.627 7.052 510 HB2 SER 58 HB2 SER 58 -12.182 2.689 5.176 511 HB3 SER 58 HB1 SER 58 -13.778 2.036 4.802 512 HG SER 58 HG SER 58 -14.150 4.443 5.739 513 H GLY 59 HN GLY 59 -11.204 1.700 7.747 514 HA2 GLY 59 HA2 GLY 59 -10.625 -0.261 8.891 515 HA3 GLY 59 HA1 GLY 59 -12.176 -0.972 8.439 516 H TYR 60 HN TYR 60 -10.410 0.616 6.011 517 HA TYR 60 HA TYR 60 -9.693 -1.938 4.772 518 HB2 TYR 60 HB2 TYR 60 -10.128 0.830 3.665 519 HB3 TYR 60 HB1 TYR 60 -9.301 -0.409 2.732 520 HD1 TYR 60 HD2 TYR 60 -12.538 0.387 4.405 521 HD2 TYR 60 HD1 TYR 60 -10.505 -1.996 1.547 522 HE1 TYR 60 HE2 TYR 60 -14.702 -0.476 3.591 523 HE2 TYR 60 HE1 TYR 60 -12.640 -2.866 0.725 524 HH TYR 60 HH TYR 60 -15.594 -1.486 1.458 525 H ARG 61 HN ARG 61 -7.541 -2.371 4.316 526 HA ARG 61 HA ARG 61 -5.628 -0.397 5.358 527 HB2 ARG 61 HB2 ARG 61 -4.184 -2.275 5.967 528 HB3 ARG 61 HB1 ARG 61 -5.757 -2.435 6.735 529 HG2 ARG 61 HG2 ARG 61 -6.416 -4.039 4.975 530 HG3 ARG 61 HG1 ARG 61 -4.797 -3.913 4.296 531 HD2 ARG 61 HD2 ARG 61 -4.978 -5.873 5.619 532 HD3 ARG 61 HD1 ARG 61 -3.866 -4.746 6.403 533 HE ARG 61 HE ARG 61 -6.169 -4.160 7.631 534 HH11 ARG 61 HH11 ARG 61 -4.581 -7.344 7.199 535 HH12 ARG 61 HH12 ARG 61 -5.383 -8.030 8.540 536 HH21 ARG 61 HH21 ARG 61 -7.166 -5.153 9.458 537 HH22 ARG 61 HH22 ARG 61 -6.850 -6.801 9.831 538 H LEU 62 HN LEU 62 -3.534 -0.407 4.308 539 HA LEU 62 HA LEU 62 -3.399 -1.595 1.670 540 HB2 LEU 62 HB2 LEU 62 -4.317 0.668 1.344 541 HB3 LEU 62 HB1 LEU 62 -3.029 1.353 2.297 542 HG LEU 62 HG LEU 62 -2.454 -0.043 -0.327 543 HD11 LEU 62 HD11 LEU 62 -3.156 2.864 0.096 544 HD12 LEU 62 HD12 LEU 62 -4.134 1.675 -0.768 545 HD13 LEU 62 HD13 LEU 62 -2.563 2.153 -1.405 546 HD21 LEU 62 HD21 LEU 62 -1.027 2.163 1.179 547 HD22 LEU 62 HD22 LEU 62 -0.510 1.443 -0.345 548 HD23 LEU 62 HD23 LEU 62 -0.536 0.469 1.125 549 H VAL 63 HN VAL 63 -1.398 -2.290 1.241 550 HA VAL 63 HA VAL 63 0.733 -1.771 3.233 551 HB VAL 63 HB VAL 63 0.413 -4.232 1.505 552 HG11 VAL 63 HG11 VAL 63 2.116 -3.735 3.937 553 HG12 VAL 63 HG12 VAL 63 2.673 -3.861 2.269 554 HG13 VAL 63 HG13 VAL 63 1.986 -5.270 3.078 555 HG21 VAL 63 HG21 VAL 63 -0.429 -5.431 3.419 556 HG22 VAL 63 HG22 VAL 63 -1.507 -4.098 2.998 557 HG23 VAL 63 HG23 VAL 63 -0.425 -3.956 4.389 558 H TYR 64 HN TYR 64 2.700 -1.146 2.312 559 HA TYR 64 HA TYR 64 3.093 -1.461 -0.561 560 HB2 TYR 64 HB2 TYR 64 3.521 0.896 -0.957 561 HB3 TYR 64 HB1 TYR 64 1.896 0.719 -0.315 562 HD1 TYR 64 HD1 TYR 64 1.505 1.277 2.134 563 HD2 TYR 64 HD2 TYR 64 5.112 2.269 0.118 564 HE1 TYR 64 HE1 TYR 64 2.044 2.906 3.891 565 HE2 TYR 64 HE2 TYR 64 5.650 3.894 1.869 566 HH TYR 64 HH TYR 64 4.477 5.212 3.582 567 H GLN 65 HN GLN 65 5.274 -1.331 -1.113 568 HA GLN 65 HA GLN 65 7.103 -1.152 1.162 569 HB2 GLN 65 HB2 GLN 65 7.341 -3.295 0.087 570 HB3 GLN 65 HB1 GLN 65 7.416 -2.554 -1.506 571 HG2 GLN 65 HG2 GLN 65 9.568 -1.532 -0.960 572 HG3 GLN 65 HG1 GLN 65 9.489 -2.194 0.665 573 HE21 GLN 65 HE21 GLN 65 8.492 -4.687 -0.106 574 HE22 GLN 65 HE22 GLN 65 9.762 -5.573 -0.887 575 H VAL 66 HN VAL 66 8.711 0.246 1.091 576 HA VAL 66 HA VAL 66 8.513 2.305 -0.965 577 HB VAL 66 HB VAL 66 10.197 2.281 1.572 578 HG11 VAL 66 HG11 VAL 66 10.587 4.667 1.116 579 HG12 VAL 66 HG12 VAL 66 9.708 4.521 -0.404 580 HG13 VAL 66 HG13 VAL 66 11.230 3.661 -0.181 581 HG21 VAL 66 HG21 VAL 66 7.781 2.411 1.950 582 HG22 VAL 66 HG22 VAL 66 7.707 3.836 0.906 583 HG23 VAL 66 HG23 VAL 66 8.619 3.884 2.419 584 H ILE 67 HN ILE 67 9.432 1.473 -2.710 585 HA ILE 67 HA ILE 67 11.965 0.081 -2.468 586 HB ILE 67 HB ILE 67 10.429 0.679 -4.997 587 HG12 ILE 67 HG12 ILE 67 10.275 -1.776 -3.213 588 HG13 ILE 67 HG11 ILE 67 8.988 -0.608 -3.476 589 HG21 ILE 67 HG21 ILE 67 12.811 0.028 -5.231 590 HG22 ILE 67 HG22 ILE 67 11.740 -1.211 -5.891 591 HG23 ILE 67 HG23 ILE 67 12.491 -1.447 -4.316 592 HD11 ILE 67 HD11 ILE 67 8.861 -1.283 -5.821 593 HD12 ILE 67 HD12 ILE 67 8.618 -2.652 -4.733 594 HD13 ILE 67 HD13 ILE 67 10.168 -2.438 -5.553 595 H ASP 68 HN ASP 68 13.644 1.369 -2.366 596 HA ASP 68 HA ASP 68 13.545 4.055 -3.326 597 HB2 ASP 68 HB2 ASP 68 14.759 3.579 -1.298 598 HB3 ASP 68 HB1 ASP 68 15.805 2.444 -2.144 599 H GLU 69 HN GLU 69 14.910 1.051 -4.481 600 HA GLU 69 HA GLU 69 16.547 2.272 -6.451 601 HB2 GLU 69 HB2 GLU 69 16.832 0.050 -7.436 602 HB3 GLU 69 HB1 GLU 69 17.049 0.017 -5.694 603 HG2 GLU 69 HG2 GLU 69 14.836 -0.928 -5.418 604 HG3 GLU 69 HG1 GLU 69 14.563 -0.819 -7.157 605 H LYS 70 HN LYS 70 13.215 1.216 -6.527 606 HA LYS 70 HA LYS 70 13.021 1.839 -9.402 607 HB2 LYS 70 HB2 LYS 70 10.897 0.737 -7.530 608 HB3 LYS 70 HB1 LYS 70 10.698 0.963 -9.261 609 HG2 LYS 70 HG2 LYS 70 12.396 -0.732 -9.658 610 HG3 LYS 70 HG1 LYS 70 12.630 -0.907 -7.925 611 HD2 LYS 70 HD2 LYS 70 11.233 -2.724 -8.446 612 HD3 LYS 70 HD1 LYS 70 10.115 -1.515 -7.846 613 HE2 LYS 70 HE2 LYS 70 10.641 -2.013 -10.789 614 HE3 LYS 70 HE1 LYS 70 9.364 -2.803 -9.888 615 HZ1 LYS 70 HZ1 LYS 70 8.319 -0.557 -9.548 616 HZ2 LYS 70 HZ2 LYS 70 8.513 -1.004 -11.119 617 HZ3 LYS 70 HZ3 LYS 70 9.563 0.113 -10.511 618 H VAL 71 HN VAL 71 12.927 3.332 -6.540 619 HA VAL 71 HA VAL 71 12.006 5.105 -5.514 620 HB VAL 71 HB VAL 71 11.626 6.357 -8.225 621 HG11 VAL 71 HG11 VAL 71 10.884 7.584 -6.312 622 HG12 VAL 71 HG12 VAL 71 12.280 8.403 -7.040 623 HG13 VAL 71 HG13 VAL 71 12.467 7.436 -5.562 624 HG21 VAL 71 HG21 VAL 71 14.238 6.078 -6.762 625 HG22 VAL 71 HG22 VAL 71 13.949 7.040 -8.227 626 HG23 VAL 71 HG23 VAL 71 13.789 5.276 -8.272 627 H VAL 72 HN VAL 72 10.080 3.705 -5.077 628 HA VAL 72 HA VAL 72 7.706 4.983 -6.072 629 HB VAL 72 HB VAL 72 8.456 3.507 -7.902 630 HG11 VAL 72 HG11 VAL 72 7.876 1.262 -5.995 631 HG12 VAL 72 HG12 VAL 72 9.449 1.745 -6.615 632 HG13 VAL 72 HG13 VAL 72 8.232 1.093 -7.721 633 HG21 VAL 72 HG21 VAL 72 5.863 2.767 -6.609 634 HG22 VAL 72 HG22 VAL 72 6.299 2.467 -8.294 635 HG23 VAL 72 HG23 VAL 72 6.154 4.120 -7.700 636 H VAL 73 HN VAL 73 5.803 4.210 -5.012 637 HA VAL 73 HA VAL 73 6.315 2.437 -2.774 638 HB VAL 73 HB VAL 73 4.122 3.115 -1.866 639 HG11 VAL 73 HG11 VAL 73 4.700 5.417 -1.280 640 HG12 VAL 73 HG12 VAL 73 5.863 5.416 -2.616 641 HG13 VAL 73 HG13 VAL 73 6.111 4.338 -1.228 642 HG21 VAL 73 HG21 VAL 73 3.979 5.031 -4.202 643 HG22 VAL 73 HG22 VAL 73 2.896 5.032 -2.803 644 HG23 VAL 73 HG23 VAL 73 2.920 3.648 -3.896 645 H PHE 74 HN PHE 74 6.045 0.460 -3.217 646 HA PHE 74 HA PHE 74 4.267 -0.324 -5.368 647 HB2 PHE 74 HB2 PHE 74 6.526 -1.178 -5.501 648 HB3 PHE 74 HB1 PHE 74 6.416 -1.829 -3.876 649 HD1 PHE 74 HD1 PHE 74 3.788 -2.140 -6.467 650 HD2 PHE 74 HD2 PHE 74 6.953 -4.061 -4.375 651 HE1 PHE 74 HE1 PHE 74 3.099 -4.290 -7.398 652 HE2 PHE 74 HE2 PHE 74 6.257 -6.223 -5.307 653 HZ PHE 74 HZ PHE 74 4.323 -6.336 -6.820 654 H VAL 75 HN VAL 75 2.298 -0.355 -4.632 655 HA VAL 75 HA VAL 75 1.607 -1.275 -2.049 656 HB VAL 75 HB VAL 75 -0.216 -0.800 -4.413 657 HG11 VAL 75 HG11 VAL 75 -0.770 -0.938 -1.454 658 HG12 VAL 75 HG12 VAL 75 -1.247 -2.133 -2.659 659 HG13 VAL 75 HG13 VAL 75 -1.949 -0.514 -2.693 660 HG21 VAL 75 HG21 VAL 75 1.074 1.206 -3.903 661 HG22 VAL 75 HG22 VAL 75 0.632 1.083 -2.204 662 HG23 VAL 75 HG23 VAL 75 -0.606 1.422 -3.414 663 H ILE 76 HN ILE 76 1.588 -3.174 -1.474 664 HA ILE 76 HA ILE 76 1.774 -5.448 -3.219 665 HB ILE 76 HB ILE 76 1.608 -5.325 -0.211 666 HG12 ILE 76 HG12 ILE 76 3.478 -3.949 -1.076 667 HG13 ILE 76 HG11 ILE 76 4.050 -5.328 -0.156 668 HG21 ILE 76 HG21 ILE 76 2.680 -7.477 -2.034 669 HG22 ILE 76 HG22 ILE 76 1.168 -7.522 -1.125 670 HG23 ILE 76 HG23 ILE 76 2.706 -7.502 -0.268 671 HD11 ILE 76 HD11 ILE 76 5.412 -4.966 -2.114 672 HD12 ILE 76 HD12 ILE 76 3.993 -5.055 -3.156 673 HD13 ILE 76 HD13 ILE 76 4.534 -6.486 -2.278 674 H SER 77 HN SER 77 -0.502 -4.194 -0.755 675 HA SER 77 HA SER 77 -2.587 -5.963 -1.792 676 HB2 SER 77 HB2 SER 77 -1.824 -5.897 1.139 677 HB3 SER 77 HB1 SER 77 -3.109 -6.857 0.409 678 HG SER 77 HG SER 77 -1.066 -7.464 -0.967 679 H VAL 78 HN VAL 78 -4.660 -5.182 -1.461 680 HA VAL 78 HA VAL 78 -5.027 -2.714 0.111 681 HB VAL 78 HB VAL 78 -6.096 -3.185 -2.703 682 HG11 VAL 78 HG11 VAL 78 -7.681 -1.992 -1.324 683 HG12 VAL 78 HG12 VAL 78 -7.009 -0.931 -2.562 684 HG13 VAL 78 HG13 VAL 78 -6.450 -0.809 -0.892 685 HG21 VAL 78 HG21 VAL 78 -4.105 -1.136 -1.757 686 HG22 VAL 78 HG22 VAL 78 -4.756 -1.284 -3.394 687 HG23 VAL 78 HG23 VAL 78 -3.736 -2.561 -2.724 688 H GLY 79 HN GLY 79 -6.878 -2.980 1.413 689 HA2 GLY 79 HA2 GLY 79 -9.357 -3.394 0.814 690 HA3 GLY 79 HA1 GLY 79 -8.777 -5.020 0.511 691 H LYS 80 HN LYS 80 -10.516 -5.347 2.152 692 HA LYS 80 HA LYS 80 -9.516 -4.927 4.840 693 HB2 LYS 80 HB2 LYS 80 -12.142 -6.057 3.863 694 HB3 LYS 80 HB1 LYS 80 -11.687 -5.959 5.558 695 HG2 LYS 80 HG2 LYS 80 -11.481 -3.498 5.293 696 HG3 LYS 80 HG1 LYS 80 -12.083 -3.668 3.651 697 HD2 LYS 80 HD2 LYS 80 -13.941 -3.011 4.950 698 HD3 LYS 80 HD1 LYS 80 -14.165 -4.728 4.668 699 HE2 LYS 80 HE2 LYS 80 -13.011 -3.537 7.206 700 HE3 LYS 80 HE1 LYS 80 -14.701 -3.959 6.997 701 HZ1 LYS 80 HZ1 LYS 80 -13.955 -6.294 6.645 702 HZ2 LYS 80 HZ2 LYS 80 -13.658 -5.680 8.163 703 HZ3 LYS 80 HZ3 LYS 80 -12.380 -5.840 7.099 704 H ALA 81 HN ALA 81 -8.340 -6.353 5.734 705 HA ALA 81 HA ALA 81 -8.370 -9.080 4.676 706 HB1 ALA 81 HB1 ALA 81 -6.090 -7.557 5.921 707 HB2 ALA 81 HB2 ALA 81 -6.284 -7.859 4.192 708 HB3 ALA 81 HB3 ALA 81 -6.012 -9.204 5.303 709 H GLU 82 HN GLU 82 -6.967 -10.312 6.649 710 HA GLU 82 HA GLU 82 -9.097 -10.771 8.408 711 HB2 GLU 82 HB2 GLU 82 -7.597 -12.362 9.554 712 HB3 GLU 82 HB1 GLU 82 -7.755 -12.646 7.830 713 HG2 GLU 82 HG2 GLU 82 -5.439 -11.113 8.964 714 HG3 GLU 82 HG1 GLU 82 -5.442 -12.862 8.956 715 H ALA 83 HN ALA 83 -9.496 -10.288 10.341 716 HA ALA 83 HA ALA 83 -7.491 -9.137 12.126 717 HB1 ALA 83 HB1 ALA 83 -10.252 -7.997 11.725 718 HB2 ALA 83 HB2 ALA 83 -8.744 -7.235 11.198 719 HB3 ALA 83 HB3 ALA 83 -9.078 -7.453 12.922 720 H SER 84 HN SER 84 -10.509 -10.804 11.531 721 HA SER 84 HA SER 84 -11.708 -11.238 13.862 722 HB2 SER 84 HB2 SER 84 -11.241 -13.396 11.822 723 HB3 SER 84 HB1 SER 84 -12.645 -13.167 12.866 724 HG SER 84 HG SER 84 -13.042 -12.440 10.772 725 H GLU 85 HN GLU 85 -9.286 -13.598 12.602 726 HA GLU 85 HA GLU 85 -9.276 -14.860 15.216 727 HB2 GLU 85 HB2 GLU 85 -9.246 -16.094 12.948 728 HB3 GLU 85 HB1 GLU 85 -7.549 -15.642 12.880 729 HG2 GLU 85 HG2 GLU 85 -7.750 -17.885 13.698 730 HG3 GLU 85 HG1 GLU 85 -7.166 -16.836 14.988 731 H VAL 86 HN VAL 86 -7.489 -12.604 13.458 732 HA VAL 86 HA VAL 86 -4.920 -12.795 14.519 733 HB VAL 86 HB VAL 86 -6.409 -10.251 13.806 734 HG11 VAL 86 HG11 VAL 86 -3.451 -10.820 13.881 735 HG12 VAL 86 HG12 VAL 86 -4.348 -9.797 15.004 736 HG13 VAL 86 HG13 VAL 86 -4.195 -9.328 13.312 737 HG21 VAL 86 HG21 VAL 86 -5.391 -10.519 11.566 738 HG22 VAL 86 HG22 VAL 86 -6.527 -11.805 11.968 739 HG23 VAL 86 HG23 VAL 86 -4.794 -12.103 12.067 740 H TYR 87 HN TYR 87 -7.853 -11.304 15.636 741 HA TYR 87 HA TYR 87 -6.951 -9.891 17.889 742 HB2 TYR 87 HB2 TYR 87 -9.105 -9.504 16.765 743 HB3 TYR 87 HB1 TYR 87 -9.651 -11.090 17.266 744 HD1 TYR 87 HD2 TYR 87 -8.719 -7.731 18.490 745 HD2 TYR 87 HD1 TYR 87 -10.641 -11.410 19.401 746 HE1 TYR 87 HE2 TYR 87 -9.665 -6.730 20.524 747 HE2 TYR 87 HE1 TYR 87 -11.594 -10.422 21.431 748 HH TYR 87 HH TYR 87 -11.557 -7.086 21.999 749 H SER 88 HN SER 88 -7.685 -13.288 17.409 750 HA SER 88 HA SER 88 -7.931 -13.887 20.197 751 HB2 SER 88 HB2 SER 88 -7.393 -15.821 17.966 752 HB3 SER 88 HB1 SER 88 -8.261 -16.100 19.477 753 HG SER 88 HG SER 88 -9.299 -15.663 17.293 754 H GLU 89 HN GLU 89 -5.461 -14.044 17.677 755 HA GLU 89 HA GLU 89 -3.592 -15.393 19.374 756 HB2 GLU 89 HB2 GLU 89 -3.132 -14.010 16.733 757 HB3 GLU 89 HB1 GLU 89 -1.943 -14.994 17.576 758 HG2 GLU 89 HG2 GLU 89 -3.744 -16.833 17.487 759 HG3 GLU 89 HG1 GLU 89 -4.467 -15.836 16.229 760 H ALA 90 HN ALA 90 -4.408 -12.183 18.637 761 HA ALA 90 HA ALA 90 -2.265 -10.886 19.968 762 HB1 ALA 90 HB1 ALA 90 -5.131 -10.107 19.419 763 HB2 ALA 90 HB2 ALA 90 -3.717 -9.660 18.459 764 HB3 ALA 90 HB3 ALA 90 -3.924 -9.018 20.089 765 H VAL 91 HN VAL 91 -1.899 -11.350 22.062 766 HA VAL 91 HA VAL 91 -3.864 -12.609 23.628 767 HB VAL 91 HB VAL 91 -2.289 -12.437 25.550 768 HG11 VAL 91 HG11 VAL 91 -1.078 -13.418 22.972 769 HG12 VAL 91 HG12 VAL 91 -2.172 -14.318 24.020 770 HG13 VAL 91 HG13 VAL 91 -0.565 -13.881 24.594 771 HG21 VAL 91 HG21 VAL 91 -0.033 -11.567 25.175 772 HG22 VAL 91 HG22 VAL 91 -1.244 -10.294 24.996 773 HG23 VAL 91 HG23 VAL 91 -0.510 -11.027 23.567 774 H LYS 92 HN LYS 92 -5.184 -11.952 25.152 775 HA LYS 92 HA LYS 92 -5.713 -9.103 25.303 776 HB2 LYS 92 HB2 LYS 92 -7.760 -9.811 26.537 777 HB3 LYS 92 HB1 LYS 92 -7.623 -10.533 24.943 778 HG2 LYS 92 HG2 LYS 92 -6.832 -12.624 25.959 779 HG3 LYS 92 HG1 LYS 92 -6.975 -11.893 27.559 780 HD2 LYS 92 HD2 LYS 92 -9.387 -11.620 27.210 781 HD3 LYS 92 HD1 LYS 92 -9.238 -12.333 25.604 782 HE2 LYS 92 HE2 LYS 92 -8.486 -14.425 26.574 783 HE3 LYS 92 HE1 LYS 92 -8.533 -13.722 28.187 784 HZ1 LYS 92 HZ1 LYS 92 -10.880 -14.111 26.407 785 HZ2 LYS 92 HZ2 LYS 92 -10.920 -13.461 27.966 786 HZ3 LYS 92 HZ3 LYS 92 -10.474 -15.070 27.734 787 H ARG 93 HN ARG 93 -3.667 -11.017 26.742 788 HA ARG 93 HA ARG 93 -4.090 -10.105 29.483 789 HB2 ARG 93 HB2 ARG 93 -2.018 -12.022 28.414 790 HB3 ARG 93 HB1 ARG 93 -2.362 -11.702 30.107 791 HG2 ARG 93 HG2 ARG 93 -4.615 -12.625 29.804 792 HG3 ARG 93 HG1 ARG 93 -4.229 -12.980 28.122 793 HD2 ARG 93 HD2 ARG 93 -2.336 -14.393 28.939 794 HD3 ARG 93 HD1 ARG 93 -2.925 -14.139 30.582 795 HE ARG 93 HE ARG 93 -4.262 -15.615 28.440 796 HH11 ARG 93 HH11 ARG 93 -4.094 -14.757 31.907 797 HH12 ARG 93 HH12 ARG 93 -5.134 -16.003 32.382 798 HH21 ARG 93 HH21 ARG 93 -5.756 -17.307 29.166 799 HH22 ARG 93 HH22 ARG 93 -6.108 -17.437 30.828 800 H ILE 94 HN ILE 94 -2.573 -8.958 26.773 801 HA ILE 94 HA ILE 94 -0.166 -8.127 28.123 802 HB ILE 94 HB ILE 94 0.060 -8.720 25.747 803 HG12 ILE 94 HG12 ILE 94 0.533 -5.765 26.206 804 HG13 ILE 94 HG11 ILE 94 1.614 -7.059 26.704 805 HG21 ILE 94 HG21 ILE 94 -0.876 -7.301 23.967 806 HG22 ILE 94 HG22 ILE 94 -1.766 -6.392 25.190 807 HG23 ILE 94 HG23 ILE 94 -2.130 -8.094 24.924 808 HD11 ILE 94 HD11 ILE 94 2.414 -5.960 24.694 809 HD12 ILE 94 HD12 ILE 94 0.900 -6.338 23.868 810 HD13 ILE 94 HD13 ILE 94 1.986 -7.638 24.358 811 H LEU 95 HN LEU 95 0.084 -6.391 29.230 812 HA LEU 95 HA LEU 95 -1.202 -3.938 28.601 813 HB2 LEU 95 HB2 LEU 95 -2.959 -5.048 29.935 814 HB3 LEU 95 HB1 LEU 95 -1.799 -5.354 31.212 815 HG LEU 95 HG LEU 95 -1.601 -2.940 31.616 816 HD11 LEU 95 HD11 LEU 95 -3.726 -2.687 29.494 817 HD12 LEU 95 HD12 LEU 95 -2.068 -2.091 29.398 818 HD13 LEU 95 HD13 LEU 95 -3.190 -1.396 30.565 819 HD21 LEU 95 HD21 LEU 95 -3.217 -4.230 32.886 820 HD22 LEU 95 HD22 LEU 95 -4.421 -3.986 31.622 821 HD23 LEU 95 HD23 LEU 95 -3.842 -2.612 32.561 822 H LYS 47 H LYS 47 8.798 -4.194 28.200 823 HA LYS 47 HA LYS 47 8.030 -1.624 27.013 824 HB2 LYS 47 HB2 LYS 47 10.470 -1.881 27.204 825 HB3 LYS 47 HB1 LYS 47 10.356 -3.483 26.494 826 HG2 LYS 47 HG2 LYS 47 9.570 -2.502 24.395 827 HG3 LYS 47 HG1 LYS 47 9.678 -0.895 25.100 828 HD2 LYS 47 HD2 LYS 47 11.619 -1.357 23.711 829 HD3 LYS 47 HD1 LYS 47 12.092 -1.182 25.398 830 HE2 LYS 47 HE2 LYS 47 13.261 -3.039 24.322 831 HE3 LYS 47 HE1 LYS 47 12.226 -3.623 25.622 832 HZ1 LYS 47 HZ1 LYS 47 12.129 -5.009 23.648 833 HZ2 LYS 47 HZ2 LYS 47 11.621 -3.711 22.711 834 HZ3 LYS 47 HZ3 LYS 47 10.617 -4.315 23.898 835 H GLN 48 HN GLN 48 6.716 -1.814 25.316 836 HA GLN 48 HA GLN 48 6.398 -4.464 24.131 837 HB2 GLN 48 HB2 GLN 48 4.080 -3.949 23.671 838 HB3 GLN 48 HB1 GLN 48 4.351 -3.689 25.385 839 HG2 GLN 48 HG2 GLN 48 4.344 -1.507 23.322 840 HG3 GLN 48 HG1 GLN 48 2.912 -1.965 24.241 841 HE21 GLN 48 HE21 GLN 48 2.875 -1.505 26.464 842 HE22 GLN 48 HE22 GLN 48 3.925 -0.330 27.169 843 H THR 49 HN THR 49 6.068 -4.407 21.830 844 HA THR 49 HA THR 49 7.317 -2.179 20.595 845 HB THR 49 HB THR 49 6.064 -4.616 19.313 846 HG1 THR 49 HG1 THR 49 8.265 -5.468 19.582 847 HG21 THR 49 HG21 THR 49 8.452 -2.935 18.673 848 HG22 THR 49 HG22 THR 49 6.836 -2.687 18.024 849 HG23 THR 49 HG23 THR 49 7.725 -4.184 17.628 850 H LEU 50 HN LEU 50 6.176 -0.790 19.099 851 HA LEU 50 HA LEU 50 3.425 -0.477 19.753 852 HB2 LEU 50 HB2 LEU 50 5.210 1.047 17.918 853 HB3 LEU 50 HB1 LEU 50 3.548 1.462 18.289 854 HG LEU 50 HG LEU 50 5.890 1.458 20.180 855 HD11 LEU 50 HD11 LEU 50 5.274 3.796 20.419 856 HD12 LEU 50 HD12 LEU 50 3.996 3.518 19.222 857 HD13 LEU 50 HD13 LEU 50 5.697 3.362 18.748 858 HD21 LEU 50 HD21 LEU 50 2.960 1.869 20.817 859 HD22 LEU 50 HD22 LEU 50 4.297 2.215 21.906 860 HD23 LEU 50 HD23 LEU 50 3.985 0.558 21.411 861 H LEU 51 HN LEU 51 5.072 -2.173 17.395 862 HA LEU 51 HA LEU 51 2.685 -2.340 15.743 863 HB2 LEU 51 HB2 LEU 51 4.132 -3.640 14.161 864 HB3 LEU 51 HB1 LEU 51 4.710 -2.018 14.441 865 HG LEU 51 HG LEU 51 6.341 -3.107 16.109 866 HD11 LEU 51 HD11 LEU 51 5.586 -5.552 14.530 867 HD12 LEU 51 HD12 LEU 51 5.378 -5.300 16.263 868 HD13 LEU 51 HD13 LEU 51 7.001 -5.407 15.575 869 HD21 LEU 51 HD21 LEU 51 6.624 -3.547 13.146 870 HD22 LEU 51 HD22 LEU 51 7.945 -3.580 14.313 871 HD23 LEU 51 HD23 LEU 51 7.048 -2.088 14.039 872 H SER 52 HN SER 52 1.992 -4.721 15.234 873 HA SER 52 HA SER 52 2.579 -6.444 17.501 874 HB2 SER 52 HB2 SER 52 1.024 -4.666 18.382 875 HB3 SER 52 HB1 SER 52 -0.196 -5.235 17.251 876 HG SER 52 HG SER 52 -0.715 -6.641 18.707 877 H ASP 53 HN ASP 53 0.073 -7.716 17.400 878 HA ASP 53 HA ASP 53 0.232 -9.931 15.904 879 HB2 ASP 53 HB2 ASP 53 -2.279 -10.025 16.162 880 HB3 ASP 53 HB1 ASP 53 -1.346 -9.778 17.636 881 H GLU 54 HN GLU 54 -1.528 -7.050 14.825 882 HA GLU 54 HA GLU 54 -2.335 -8.150 12.405 883 HB2 GLU 54 HB2 GLU 54 -2.651 -5.758 11.643 884 HB3 GLU 54 HB1 GLU 54 -3.458 -6.207 13.136 885 HG2 GLU 54 HG2 GLU 54 -1.695 -5.096 14.422 886 HG3 GLU 54 HG1 GLU 54 -0.908 -4.629 12.914 887 H ASP 55 HN ASP 55 0.630 -6.446 13.187 888 HA ASP 55 HA ASP 55 1.663 -6.199 10.577 889 HB2 ASP 55 HB2 ASP 55 3.087 -6.441 13.223 890 HB3 ASP 55 HB1 ASP 55 3.866 -6.015 11.706 891 H ALA 56 HN ALA 56 1.683 -8.726 12.916 892 HA ALA 56 HA ALA 56 3.664 -10.380 11.772 893 HB1 ALA 56 HB1 ALA 56 1.309 -11.135 13.485 894 HB2 ALA 56 HB2 ALA 56 2.898 -10.642 14.072 895 HB3 ALA 56 HB3 ALA 56 2.719 -12.144 13.164 896 H GLU 57 HN GLU 57 0.309 -9.845 11.030 897 HA GLU 57 HA GLU 57 0.066 -12.259 9.467 898 HB2 GLU 57 HB2 GLU 57 -1.737 -9.881 9.861 899 HB3 GLU 57 HB1 GLU 57 -2.164 -11.288 8.885 900 HG2 GLU 57 HG2 GLU 57 -1.606 -11.226 11.833 901 HG3 GLU 57 HG1 GLU 57 -3.186 -11.356 11.068 902 H LEU 58 HN LEU 58 0.297 -8.793 9.006 903 HA LEU 58 HA LEU 58 0.092 -8.934 6.216 904 HB2 LEU 58 HB2 LEU 58 1.063 -6.743 8.009 905 HB3 LEU 58 HB1 LEU 58 1.191 -6.604 6.277 906 HG LEU 58 HG LEU 58 -0.732 -5.415 7.012 907 HD11 LEU 58 HD11 LEU 58 -0.896 -6.610 4.880 908 HD12 LEU 58 HD12 LEU 58 -2.461 -6.384 5.648 909 HD13 LEU 58 HD13 LEU 58 -1.677 -7.959 5.705 910 HD21 LEU 58 HD21 LEU 58 -1.231 -6.531 9.095 911 HD22 LEU 58 HD22 LEU 58 -1.749 -7.973 8.224 912 HD23 LEU 58 HD23 LEU 58 -2.669 -6.477 8.076 913 H VAL 59 HN VAL 59 2.892 -9.288 8.272 914 HA VAL 59 HA VAL 59 4.756 -8.926 6.175 915 HB VAL 59 HB VAL 59 6.449 -10.065 7.522 916 HG11 VAL 59 HG11 VAL 59 6.457 -8.580 9.453 917 HG12 VAL 59 HG12 VAL 59 4.782 -8.149 9.115 918 HG13 VAL 59 HG13 VAL 59 6.047 -7.735 7.957 919 HG21 VAL 59 HG21 VAL 59 5.147 -11.843 8.493 920 HG22 VAL 59 HG22 VAL 59 4.192 -10.689 9.422 921 HG23 VAL 59 HG23 VAL 59 5.901 -10.914 9.790 922 H GLU 60 HN GLU 60 2.866 -11.719 7.115 923 HA GLU 60 HA GLU 60 4.462 -13.383 5.419 924 HB2 GLU 60 HB2 GLU 60 2.889 -15.209 5.988 925 HB3 GLU 60 HB1 GLU 60 3.645 -14.466 7.380 926 HG2 GLU 60 HG2 GLU 60 1.606 -13.195 7.799 927 HG3 GLU 60 HG1 GLU 60 0.845 -13.963 6.402 928 H ILE 61 HN ILE 61 1.682 -11.482 5.124 929 HA ILE 61 HA ILE 61 0.702 -12.747 2.755 930 HB ILE 61 HB ILE 61 0.138 -9.978 3.880 931 HG12 ILE 61 HG12 ILE 61 -1.513 -12.512 4.008 932 HG13 ILE 61 HG11 ILE 61 -0.506 -11.915 5.320 933 HG21 ILE 61 HG21 ILE 61 -1.834 -9.980 2.410 934 HG22 ILE 61 HG22 ILE 61 -1.328 -11.535 1.746 935 HG23 ILE 61 HG23 ILE 61 -0.341 -10.098 1.467 936 HD11 ILE 61 HD11 ILE 61 -1.880 -9.945 5.511 937 HD12 ILE 61 HD12 ILE 61 -2.885 -11.392 5.615 938 HD13 ILE 61 HD13 ILE 61 -2.839 -10.446 4.123 939 H VAL 62 HN VAL 62 2.749 -9.947 3.469 940 HA VAL 62 HA VAL 62 3.011 -9.185 0.774 941 HB VAL 62 HB VAL 62 3.432 -7.509 2.525 942 HG11 VAL 62 HG11 VAL 62 4.396 -8.921 4.213 943 HG12 VAL 62 HG12 VAL 62 5.422 -7.514 3.905 944 HG13 VAL 62 HG13 VAL 62 5.867 -9.096 3.257 945 HG21 VAL 62 HG21 VAL 62 4.556 -7.187 0.356 946 HG22 VAL 62 HG22 VAL 62 5.970 -8.020 0.990 947 HG23 VAL 62 HG23 VAL 62 5.462 -6.488 1.696 948 H LYS 63 HN LYS 63 5.062 -11.185 2.845 949 HA LYS 63 HA LYS 63 7.170 -11.587 1.012 950 HB2 LYS 63 HB2 LYS 63 7.825 -13.473 2.364 951 HB3 LYS 63 HB1 LYS 63 7.285 -12.185 3.429 952 HG2 LYS 63 HG2 LYS 63 5.071 -13.341 3.539 953 HG3 LYS 63 HG1 LYS 63 5.800 -14.673 2.662 954 HD2 LYS 63 HD2 LYS 63 6.685 -13.639 5.356 955 HD3 LYS 63 HD1 LYS 63 5.788 -15.119 5.060 956 HE2 LYS 63 HE2 LYS 63 7.703 -15.887 3.637 957 HE3 LYS 63 HE1 LYS 63 8.569 -14.465 4.180 958 HZ1 LYS 63 HZ1 LYS 63 7.512 -16.536 6.018 959 HZ2 LYS 63 HZ2 LYS 63 8.436 -15.184 6.455 960 HZ3 LYS 63 HZ3 LYS 63 9.115 -16.412 5.529 961 H GLU 64 HN GLU 64 4.035 -13.027 1.271 962 HA GLU 64 HA GLU 64 4.443 -15.244 -0.433 963 HB2 GLU 64 HB2 GLU 64 2.550 -15.021 1.145 964 HB3 GLU 64 HB1 GLU 64 1.917 -13.713 0.157 965 HG2 GLU 64 HG2 GLU 64 0.704 -15.523 -0.506 966 HG3 GLU 64 HG1 GLU 64 1.912 -15.344 -1.748 967 H ARG 65 HN ARG 65 2.899 -12.066 -0.943 968 HA ARG 65 HA ARG 65 2.652 -12.493 -3.740 969 HB2 ARG 65 HB2 ARG 65 2.427 -9.973 -2.108 970 HB3 ARG 65 HB1 ARG 65 2.115 -10.020 -3.845 971 HG2 ARG 65 HG2 ARG 65 0.329 -11.702 -3.379 972 HG3 ARG 65 HG1 ARG 65 0.615 -11.449 -1.657 973 HD2 ARG 65 HD2 ARG 65 0.057 -9.068 -1.934 974 HD3 ARG 65 HD1 ARG 65 -0.267 -9.345 -3.644 975 HE ARG 65 HE ARG 65 -1.782 -11.093 -2.014 976 HH11 ARG 65 HH11 ARG 65 -1.796 -7.734 -3.246 977 HH12 ARG 65 HH12 ARG 65 -3.456 -7.510 -2.886 978 HH21 ARG 65 HH21 ARG 65 -4.049 -10.689 -1.539 979 HH22 ARG 65 HH22 ARG 65 -4.725 -9.171 -1.930 980 H LEU 66 HN LEU 66 5.214 -11.613 -1.811 981 HA LEU 66 HA LEU 66 6.668 -10.220 -3.920 982 HB2 LEU 66 HB2 LEU 66 7.565 -11.060 -1.172 983 HB3 LEU 66 HB1 LEU 66 8.655 -10.360 -2.343 984 HG LEU 66 HG LEU 66 6.249 -9.005 -1.118 985 HD11 LEU 66 HD11 LEU 66 8.099 -9.265 0.438 986 HD12 LEU 66 HD12 LEU 66 7.937 -7.575 -0.050 987 HD13 LEU 66 HD13 LEU 66 9.210 -8.577 -0.744 988 HD21 LEU 66 HD21 LEU 66 8.307 -7.956 -3.069 989 HD22 LEU 66 HD22 LEU 66 7.092 -6.984 -2.247 990 HD23 LEU 66 HD23 LEU 66 6.592 -8.214 -3.404 991 H ARG 67 HN ARG 67 6.039 -13.420 -3.368 992 HA ARG 67 HA ARG 67 8.618 -14.465 -4.111 993 HB2 ARG 67 HB2 ARG 67 7.598 -16.635 -4.141 994 HB3 ARG 67 HB1 ARG 67 6.832 -15.761 -2.832 995 HG2 ARG 67 HG2 ARG 67 4.934 -15.263 -4.419 996 HG3 ARG 67 HG1 ARG 67 5.682 -16.403 -5.538 997 HD2 ARG 67 HD2 ARG 67 4.739 -16.999 -2.736 998 HD3 ARG 67 HD1 ARG 67 3.942 -17.488 -4.228 999 HE ARG 67 HE ARG 67 6.192 -18.645 -4.633 1000 HH11 ARG 67 HH11 ARG 67 4.469 -18.431 -1.505 1001 HH12 ARG 67 HH12 ARG 67 5.179 -19.845 -0.884 1002 HH21 ARG 67 HH21 ARG 67 7.142 -20.595 -3.726 1003 HH22 ARG 67 HH22 ARG 67 6.741 -21.090 -2.143 1004 H ASN 68 HN ASN 68 5.899 -13.177 -5.736 1005 HA ASN 68 HA ASN 68 7.132 -13.051 -8.250 1006 HB2 ASN 68 HB2 ASN 68 6.348 -15.439 -8.267 1007 HB3 ASN 68 HB1 ASN 68 4.711 -14.861 -7.971 1008 HD21 ASN 68 HD21 ASN 68 7.239 -15.215 -10.230 1009 HD22 ASN 68 HD22 ASN 68 6.378 -14.723 -11.622 1010 HA PRO 69 HA PRO 69 3.878 -10.069 -7.058 1011 HB2 PRO 69 HB2 PRO 69 5.504 -7.869 -7.831 1012 HB3 PRO 69 HB1 PRO 69 5.152 -8.428 -6.199 1013 HG2 PRO 69 HG2 PRO 69 7.642 -8.540 -7.450 1014 HG3 PRO 69 HG1 PRO 69 7.174 -9.450 -6.005 1015 HD2 PRO 69 HD2 PRO 69 7.312 -10.327 -8.851 1016 HD3 PRO 69 HD1 PRO 69 7.651 -11.246 -7.365 1017 H LYS 70 HN LYS 70 5.861 -8.812 -9.727 1018 HA LYS 70 HA LYS 70 5.439 -8.012 -11.726 1019 HB2 LYS 70 HB2 LYS 70 3.000 -9.772 -11.601 1020 HB3 LYS 70 HB1 LYS 70 3.162 -8.607 -12.901 1021 HG2 LYS 70 HG2 LYS 70 3.902 -10.792 -13.617 1022 HG3 LYS 70 HG1 LYS 70 5.256 -9.671 -13.587 1023 HD2 LYS 70 HD2 LYS 70 5.917 -10.624 -11.393 1024 HD3 LYS 70 HD1 LYS 70 4.604 -11.790 -11.544 1025 HE2 LYS 70 HE2 LYS 70 6.710 -12.779 -12.243 1026 HE3 LYS 70 HE1 LYS 70 5.600 -12.656 -13.603 1027 HZ1 LYS 70 HZ1 LYS 70 7.875 -11.997 -14.166 1028 HZ2 LYS 70 HZ2 LYS 70 7.793 -10.738 -13.043 1029 HZ3 LYS 70 HZ3 LYS 70 6.797 -10.726 -14.396 1030 HA PRO 71 HA PRO 71 3.171 -4.545 -10.005 1031 HB2 PRO 71 HB2 PRO 71 5.178 -2.776 -10.118 1032 HB3 PRO 71 HB1 PRO 71 5.020 -3.936 -8.796 1033 HG2 PRO 71 HG2 PRO 71 6.876 -3.953 -11.121 1034 HG3 PRO 71 HG1 PRO 71 7.140 -4.541 -9.474 1035 HD2 PRO 71 HD2 PRO 71 6.505 -6.132 -11.694 1036 HD3 PRO 71 HD1 PRO 71 6.383 -6.614 -9.998 1037 H VAL 72 HN VAL 72 2.249 -2.902 -11.046 1038 HA VAL 72 HA VAL 72 3.027 -2.344 -13.809 1039 HB VAL 72 HB VAL 72 0.289 -1.970 -12.501 1040 HG11 VAL 72 HG11 VAL 72 -0.524 -1.578 -14.761 1041 HG12 VAL 72 HG12 VAL 72 1.118 -1.729 -15.385 1042 HG13 VAL 72 HG13 VAL 72 0.704 -0.395 -14.307 1043 HG21 VAL 72 HG21 VAL 72 1.189 -4.102 -14.441 1044 HG22 VAL 72 HG22 VAL 72 -0.459 -3.862 -13.860 1045 HG23 VAL 72 HG23 VAL 72 0.810 -4.349 -12.736 1046 H ARG 73 HN ARG 73 3.969 -0.411 -13.977 1047 HA ARG 73 HA ARG 73 4.057 1.516 -11.891 1048 HB2 ARG 73 HB2 ARG 73 5.869 1.337 -13.549 1049 HB3 ARG 73 HB1 ARG 73 4.760 1.785 -14.838 1050 HG2 ARG 73 HG2 ARG 73 5.984 3.729 -14.367 1051 HG3 ARG 73 HG1 ARG 73 4.420 3.965 -13.591 1052 HD2 ARG 73 HD2 ARG 73 5.809 4.622 -11.903 1053 HD3 ARG 73 HD1 ARG 73 5.675 2.905 -11.533 1054 HE ARG 73 HE ARG 73 7.860 3.743 -13.250 1055 HH11 ARG 73 HH11 ARG 73 6.899 2.272 -10.245 1056 HH12 ARG 73 HH12 ARG 73 8.408 2.409 -9.483 1057 HH21 ARG 73 HH21 ARG 73 9.982 3.842 -12.340 1058 HH22 ARG 73 HH22 ARG 73 10.276 3.344 -10.723 1059 H VAL 74 HN VAL 74 2.438 2.845 -11.358 1060 HA VAL 74 HA VAL 74 0.666 3.791 -13.470 1061 HB VAL 74 HB VAL 74 -1.287 3.614 -11.949 1062 HG11 VAL 74 HG11 VAL 74 -1.608 1.177 -12.045 1063 HG12 VAL 74 HG12 VAL 74 0.097 0.989 -12.467 1064 HG13 VAL 74 HG13 VAL 74 -0.993 1.847 -13.552 1065 HG21 VAL 74 HG21 VAL 74 -1.181 2.243 -9.949 1066 HG22 VAL 74 HG22 VAL 74 -0.125 3.653 -9.825 1067 HG23 VAL 74 HG23 VAL 74 0.564 2.059 -10.150 1068 H THR 75 HN THR 75 -0.840 5.500 -12.374 1069 HA THR 75 HA THR 75 0.712 7.293 -10.673 1070 HB THR 75 HB THR 75 -0.343 9.166 -12.078 1071 HG1 THR 75 HG1 THR 75 -0.383 7.178 -14.079 1072 HG21 THR 75 HG21 THR 75 2.062 8.682 -12.127 1073 HG22 THR 75 HG22 THR 75 1.487 9.131 -13.731 1074 HG23 THR 75 HG23 THR 75 1.793 7.435 -13.345 1075 H LEU 76 HN LEU 76 -0.663 8.810 -9.525 1076 HA LEU 76 HA LEU 76 -3.146 7.742 -8.651 1077 HB2 LEU 76 HB2 LEU 76 -2.014 10.528 -8.335 1078 HB3 LEU 76 HB1 LEU 76 -3.402 9.903 -7.467 1079 HG LEU 76 HG LEU 76 -0.681 8.687 -7.311 1080 HD11 LEU 76 HD11 LEU 76 -0.476 9.820 -5.122 1081 HD12 LEU 76 HD12 LEU 76 -1.999 10.661 -5.426 1082 HD13 LEU 76 HD13 LEU 76 -0.589 10.983 -6.442 1083 HD21 LEU 76 HD21 LEU 76 -2.468 7.198 -6.694 1084 HD22 LEU 76 HD22 LEU 76 -3.111 8.383 -5.547 1085 HD23 LEU 76 HD23 LEU 76 -1.530 7.642 -5.280 1086 H ASP 77 HN ASP 77 -2.164 9.907 -11.093 1087 HA ASP 77 HA ASP 77 -4.441 11.280 -11.803 1088 HB2 ASP 77 HB2 ASP 77 -2.289 11.721 -12.831 1089 HB3 ASP 77 HB1 ASP 77 -2.276 10.123 -13.558 1090 H GLU 78 HN GLU 78 -3.503 7.963 -12.659 1091 HA GLU 78 HA GLU 78 -5.860 7.729 -14.321 1092 HB2 GLU 78 HB2 GLU 78 -5.021 5.543 -14.941 1093 HB3 GLU 78 HB1 GLU 78 -3.797 6.786 -15.159 1094 HG2 GLU 78 HG2 GLU 78 -2.649 6.082 -13.195 1095 HG3 GLU 78 HG1 GLU 78 -3.940 4.960 -12.774 1096 H LEU 79 HN LEU 79 -5.277 7.295 -11.036 1097 HA LEU 79 HA LEU 79 -6.890 4.921 -10.761 1098 HB2 LEU 79 HB2 LEU 79 -5.999 6.864 -8.639 1099 HB3 LEU 79 HB1 LEU 79 -6.752 5.314 -8.348 1100 HG LEU 79 HG LEU 79 -3.999 5.851 -9.431 1101 HD11 LEU 79 HD11 LEU 79 -3.327 4.575 -7.447 1102 HD12 LEU 79 HD12 LEU 79 -5.014 4.499 -6.946 1103 HD13 LEU 79 HD13 LEU 79 -4.195 6.056 -7.052 1104 HD21 LEU 79 HD21 LEU 79 -4.947 3.974 -10.661 1105 HD22 LEU 79 HD22 LEU 79 -5.412 3.200 -9.146 1106 HD23 LEU 79 HD23 LEU 79 -3.706 3.423 -9.538 Start of MODEL 6 1 H MET 1 H MET 1 4.826 13.326 -9.636 2 HA MET 1 HA MET 1 5.985 14.194 -7.733 3 HB2 MET 1 HB2 MET 1 5.256 11.281 -7.307 4 HB3 MET 1 HB1 MET 1 5.321 12.513 -6.060 5 HG2 MET 1 HG2 MET 1 3.379 12.374 -8.354 6 HG3 MET 1 HG1 MET 1 3.035 12.057 -6.656 7 HE1 MET 1 HE1 MET 1 1.399 14.033 -8.574 8 HE2 MET 1 HE2 MET 1 1.119 15.395 -7.491 9 HE3 MET 1 HE3 MET 1 0.954 13.745 -6.891 10 H ALA 2 HN ALA 2 7.368 13.089 -5.780 11 HA ALA 2 HA ALA 2 9.951 12.703 -6.841 12 HB1 ALA 2 HB1 ALA 2 8.907 12.138 -4.059 13 HB2 ALA 2 HB2 ALA 2 9.578 13.670 -4.618 14 HB3 ALA 2 HB3 ALA 2 10.608 12.243 -4.514 15 H TYR 3 HN TYR 3 7.798 10.475 -5.106 16 HA TYR 3 HA TYR 3 9.270 8.233 -6.245 17 HB2 TYR 3 HB2 TYR 3 7.141 8.387 -4.099 18 HB3 TYR 3 HB1 TYR 3 7.760 6.868 -4.729 19 HD1 TYR 3 HD2 TYR 3 8.907 10.033 -3.094 20 HD2 TYR 3 HD1 TYR 3 9.597 5.871 -3.657 21 HE1 TYR 3 HE2 TYR 3 10.713 10.115 -1.435 22 HE2 TYR 3 HE1 TYR 3 11.408 5.941 -1.986 23 HH TYR 3 HH TYR 3 12.950 7.568 -0.956 24 H PHE 4 HN PHE 4 8.501 6.972 -7.749 25 HA PHE 4 HA PHE 4 6.029 7.754 -9.056 26 HB2 PHE 4 HB2 PHE 4 7.789 5.400 -9.844 27 HB3 PHE 4 HB1 PHE 4 6.654 6.291 -10.832 28 HD1 PHE 4 HD2 PHE 4 7.180 8.598 -11.582 29 HD2 PHE 4 HD1 PHE 4 10.025 6.158 -9.566 30 HE1 PHE 4 HE2 PHE 4 8.994 10.075 -12.343 31 HE2 PHE 4 HE1 PHE 4 11.837 7.631 -10.317 32 HZ PHE 4 HZ PHE 4 11.335 9.585 -11.698 33 H LEU 5 HN LEU 5 4.562 5.664 -9.768 34 HA LEU 5 HA LEU 5 4.102 4.372 -7.195 35 HB2 LEU 5 HB2 LEU 5 2.456 6.056 -7.783 36 HB3 LEU 5 HB1 LEU 5 2.202 5.291 -9.331 37 HG LEU 5 HG LEU 5 1.225 3.361 -8.227 38 HD11 LEU 5 HD11 LEU 5 1.568 4.994 -5.694 39 HD12 LEU 5 HD12 LEU 5 2.405 3.486 -6.068 40 HD13 LEU 5 HD13 LEU 5 0.662 3.488 -5.819 41 HD21 LEU 5 HD21 LEU 5 -0.177 5.176 -8.992 42 HD22 LEU 5 HD22 LEU 5 0.051 6.011 -7.460 43 HD23 LEU 5 HD23 LEU 5 -0.821 4.482 -7.505 44 H ASP 6 HN ASP 6 3.844 2.211 -7.165 45 HA ASP 6 HA ASP 6 3.574 0.754 -9.710 46 HB2 ASP 6 HB2 ASP 6 5.537 0.187 -7.496 47 HB3 ASP 6 HB1 ASP 6 4.839 -1.145 -8.391 48 H PHE 7 HN PHE 7 2.300 -1.018 -9.621 49 HA PHE 7 HA PHE 7 1.129 -1.743 -7.040 50 HB2 PHE 7 HB2 PHE 7 -0.309 -0.721 -9.407 51 HB3 PHE 7 HB1 PHE 7 -1.000 -2.147 -8.654 52 HD1 PHE 7 HD1 PHE 7 -0.223 1.415 -8.221 53 HD2 PHE 7 HD2 PHE 7 -2.025 -2.027 -6.505 54 HE1 PHE 7 HE1 PHE 7 -1.391 2.838 -6.579 55 HE2 PHE 7 HE2 PHE 7 -3.186 -0.615 -4.868 56 HZ PHE 7 HZ PHE 7 -2.870 1.826 -4.907 57 H ASP 8 HN ASP 8 0.942 -3.828 -6.746 58 HA ASP 8 HA ASP 8 1.891 -5.787 -8.541 59 HB2 ASP 8 HB2 ASP 8 1.927 -6.366 -6.258 60 HB3 ASP 8 HB1 ASP 8 0.282 -5.809 -5.993 61 H GLU 9 HN GLU 9 0.726 -7.255 -9.888 62 HA GLU 9 HA GLU 9 -1.403 -6.229 -11.312 63 HB2 GLU 9 HB2 GLU 9 -0.670 -9.147 -11.088 64 HB3 GLU 9 HB1 GLU 9 -1.785 -8.473 -12.262 65 HG2 GLU 9 HG2 GLU 9 0.094 -7.057 -13.086 66 HG3 GLU 9 HG1 GLU 9 1.162 -7.991 -12.039 67 H ARG 10 HN ARG 10 -1.653 -8.443 -8.528 68 HA ARG 10 HA ARG 10 -4.476 -8.388 -8.990 69 HB2 ARG 10 HB2 ARG 10 -4.638 -9.885 -6.901 70 HB3 ARG 10 HB1 ARG 10 -4.073 -10.589 -8.411 71 HG2 ARG 10 HG2 ARG 10 -2.712 -11.532 -6.747 72 HG3 ARG 10 HG1 ARG 10 -1.721 -10.230 -7.383 73 HD2 ARG 10 HD2 ARG 10 -1.598 -10.268 -4.976 74 HD3 ARG 10 HD1 ARG 10 -2.430 -8.810 -5.517 75 HE ARG 10 HE ARG 10 -4.025 -11.126 -4.742 76 HH11 ARG 10 HH11 ARG 10 -2.766 -7.952 -3.888 77 HH12 ARG 10 HH12 ARG 10 -4.010 -7.616 -2.760 78 HH21 ARG 10 HH21 ARG 10 -5.704 -10.685 -3.240 79 HH22 ARG 10 HH22 ARG 10 -5.809 -9.154 -2.480 80 H ALA 11 HN ALA 11 -2.281 -6.860 -7.069 81 HA ALA 11 HA ALA 11 -4.046 -5.638 -5.204 82 HB1 ALA 11 HB1 ALA 11 -1.545 -4.441 -6.396 83 HB2 ALA 11 HB2 ALA 11 -1.610 -5.471 -4.961 84 HB3 ALA 11 HB3 ALA 11 -2.364 -3.878 -4.940 85 H LEU 12 HN LEU 12 -3.300 -4.884 -8.535 86 HA LEU 12 HA LEU 12 -4.615 -2.423 -8.935 87 HB2 LEU 12 HB2 LEU 12 -4.666 -4.845 -10.751 88 HB3 LEU 12 HB1 LEU 12 -5.060 -3.215 -11.232 89 HG LEU 12 HG LEU 12 -2.309 -4.149 -10.372 90 HD11 LEU 12 HD11 LEU 12 -1.763 -4.063 -12.756 91 HD12 LEU 12 HD12 LEU 12 -3.442 -3.677 -13.127 92 HD13 LEU 12 HD13 LEU 12 -3.032 -5.247 -12.437 93 HD21 LEU 12 HD21 LEU 12 -1.555 -2.063 -11.380 94 HD22 LEU 12 HD22 LEU 12 -2.695 -1.746 -10.069 95 HD23 LEU 12 HD23 LEU 12 -3.224 -1.627 -11.744 96 H LYS 13 HN LYS 13 -5.793 -5.669 -8.834 97 HA LYS 13 HA LYS 13 -8.477 -5.036 -9.557 98 HB2 LYS 13 HB2 LYS 13 -7.490 -7.582 -8.292 99 HB3 LYS 13 HB1 LYS 13 -8.876 -7.384 -9.357 100 HG2 LYS 13 HG2 LYS 13 -5.960 -7.159 -10.119 101 HG3 LYS 13 HG1 LYS 13 -7.063 -8.460 -10.551 102 HD2 LYS 13 HD2 LYS 13 -8.334 -6.995 -11.975 103 HD3 LYS 13 HD1 LYS 13 -7.474 -5.585 -11.368 104 HE2 LYS 13 HE2 LYS 13 -6.650 -6.204 -13.580 105 HE3 LYS 13 HE1 LYS 13 -5.402 -6.380 -12.353 106 HZ1 LYS 13 HZ1 LYS 13 -5.788 -8.791 -12.371 107 HZ2 LYS 13 HZ2 LYS 13 -5.414 -8.221 -13.903 108 HZ3 LYS 13 HZ3 LYS 13 -6.996 -8.599 -13.536 109 H GLU 14 HN GLU 14 -6.665 -5.096 -6.664 110 HA GLU 14 HA GLU 14 -8.706 -5.607 -4.808 111 HB2 GLU 14 HB2 GLU 14 -6.049 -4.269 -4.549 112 HB3 GLU 14 HB1 GLU 14 -7.141 -4.486 -3.192 113 HG2 GLU 14 HG2 GLU 14 -6.092 -6.733 -4.909 114 HG3 GLU 14 HG1 GLU 14 -5.332 -6.206 -3.412 115 H TRP 15 HN TRP 15 -7.454 -2.513 -6.146 116 HA TRP 15 HA TRP 15 -9.194 -1.096 -4.331 117 HB2 TRP 15 HB2 TRP 15 -8.520 0.992 -5.316 118 HB3 TRP 15 HB1 TRP 15 -7.085 -0.009 -5.316 119 HD1 TRP 15 HD1 TRP 15 -9.839 1.134 -7.860 120 HE1 TRP 15 HE1 TRP 15 -8.734 1.400 -10.153 121 HE3 TRP 15 HE3 TRP 15 -5.123 -0.448 -6.697 122 HZ2 TRP 15 HZ2 TRP 15 -6.239 1.018 -11.321 123 HZ3 TRP 15 HZ3 TRP 15 -3.439 -0.443 -8.477 124 HH2 TRP 15 HH2 TRP 15 -3.988 0.273 -10.740 125 H ARG 16 HN ARG 16 -9.377 -2.521 -7.320 126 HA ARG 16 HA ARG 16 -11.682 -1.158 -8.282 127 HB2 ARG 16 HB2 ARG 16 -10.444 -3.755 -9.143 128 HB3 ARG 16 HB1 ARG 16 -11.697 -2.871 -10.016 129 HG2 ARG 16 HG2 ARG 16 -10.157 -0.937 -10.194 130 HG3 ARG 16 HG1 ARG 16 -8.986 -1.863 -9.327 131 HD2 ARG 16 HD2 ARG 16 -8.735 -1.799 -11.814 132 HD3 ARG 16 HD1 ARG 16 -8.587 -3.374 -11.031 133 HE ARG 16 HE ARG 16 -11.163 -3.359 -11.741 134 HH11 ARG 16 HH11 ARG 16 -8.339 -2.408 -13.675 135 HH12 ARG 16 HH12 ARG 16 -8.980 -3.037 -15.124 136 HH21 ARG 16 HH21 ARG 16 -11.989 -4.230 -13.703 137 HH22 ARG 16 HH22 ARG 16 -11.077 -4.128 -15.141 138 H LYS 17 HN LYS 17 -11.242 -3.825 -6.127 139 HA LYS 17 HA LYS 17 -14.017 -4.600 -6.484 140 HB2 LYS 17 HB2 LYS 17 -13.449 -6.546 -4.939 141 HB3 LYS 17 HB1 LYS 17 -12.639 -6.528 -6.492 142 HG2 LYS 17 HG2 LYS 17 -10.950 -7.140 -5.023 143 HG3 LYS 17 HG1 LYS 17 -10.704 -5.414 -5.239 144 HD2 LYS 17 HD2 LYS 17 -10.460 -5.645 -2.953 145 HD3 LYS 17 HD1 LYS 17 -12.166 -5.226 -3.078 146 HE2 LYS 17 HE2 LYS 17 -11.845 -7.081 -1.527 147 HE3 LYS 17 HE1 LYS 17 -12.751 -7.606 -2.945 148 HZ1 LYS 17 HZ1 LYS 17 -10.892 -9.118 -2.160 149 HZ2 LYS 17 HZ2 LYS 17 -9.797 -7.980 -2.804 150 HZ3 LYS 17 HZ3 LYS 17 -10.900 -8.740 -3.784 151 H LEU 18 HN LEU 18 -12.416 -2.421 -4.629 152 HA LEU 18 HA LEU 18 -14.313 -2.803 -2.455 153 HB2 LEU 18 HB2 LEU 18 -12.806 -1.336 -1.071 154 HB3 LEU 18 HB1 LEU 18 -12.167 -2.901 -1.495 155 HG LEU 18 HG LEU 18 -10.902 -1.699 -3.354 156 HD11 LEU 18 HD11 LEU 18 -10.373 0.641 -2.987 157 HD12 LEU 18 HD12 LEU 18 -11.546 0.706 -1.674 158 HD13 LEU 18 HD13 LEU 18 -12.092 0.415 -3.328 159 HD21 LEU 18 HD21 LEU 18 -10.207 -1.172 -0.475 160 HD22 LEU 18 HD22 LEU 18 -9.103 -1.060 -1.849 161 HD23 LEU 18 HD23 LEU 18 -9.815 -2.612 -1.423 162 H GLY 19 HN GLY 19 -14.928 -0.731 -1.307 163 HA2 GLY 19 HA2 GLY 19 -16.631 0.648 -3.051 164 HA3 GLY 19 HA1 GLY 19 -16.328 1.044 -1.369 165 H SER 20 HN SER 20 -16.800 2.794 -3.594 166 HA SER 20 HA SER 20 -14.485 3.959 -4.617 167 HB2 SER 20 HB2 SER 20 -17.206 5.177 -4.204 168 HB3 SER 20 HB1 SER 20 -15.964 5.757 -5.314 169 HG SER 20 HG SER 20 -17.698 3.623 -5.572 170 H THR 21 HN THR 21 -16.401 4.684 -1.704 171 HA THR 21 HA THR 21 -15.149 7.104 -1.027 172 HB THR 21 HB THR 21 -16.424 5.039 0.785 173 HG1 THR 21 HG1 THR 21 -17.426 7.141 -0.805 174 HG21 THR 21 HG21 THR 21 -16.045 8.027 1.114 175 HG22 THR 21 HG22 THR 21 -15.178 6.780 2.006 176 HG23 THR 21 HG23 THR 21 -16.916 6.978 2.234 177 H VAL 22 HN VAL 22 -14.358 3.801 -0.438 178 HA VAL 22 HA VAL 22 -12.303 4.199 1.457 179 HB VAL 22 HB VAL 22 -12.760 1.912 -0.479 180 HG11 VAL 22 HG11 VAL 22 -11.393 0.557 1.033 181 HG12 VAL 22 HG12 VAL 22 -11.077 1.979 2.021 182 HG13 VAL 22 HG13 VAL 22 -10.468 1.906 0.367 183 HG21 VAL 22 HG21 VAL 22 -14.660 2.241 0.990 184 HG22 VAL 22 HG22 VAL 22 -13.600 2.231 2.400 185 HG23 VAL 22 HG23 VAL 22 -13.801 0.768 1.436 186 H ARG 23 HN ARG 23 -12.260 3.707 -2.073 187 HA ARG 23 HA ARG 23 -9.428 3.865 -2.171 188 HB2 ARG 23 HB2 ARG 23 -9.589 3.799 -4.600 189 HB3 ARG 23 HB1 ARG 23 -10.592 2.565 -3.859 190 HG2 ARG 23 HG2 ARG 23 -12.555 3.951 -4.230 191 HG3 ARG 23 HG1 ARG 23 -11.543 5.173 -5.003 192 HD2 ARG 23 HD2 ARG 23 -10.860 3.509 -6.685 193 HD3 ARG 23 HD1 ARG 23 -11.923 2.326 -5.927 194 HE ARG 23 HE ARG 23 -13.353 4.661 -6.578 195 HH11 ARG 23 HH11 ARG 23 -11.907 1.847 -8.125 196 HH12 ARG 23 HH12 ARG 23 -12.945 1.835 -9.467 197 HH21 ARG 23 HH21 ARG 23 -14.821 4.665 -8.373 198 HH22 ARG 23 HH22 ARG 23 -14.676 3.506 -9.596 199 H GLU 24 HN GLU 24 -11.883 6.333 -2.401 200 HA GLU 24 HA GLU 24 -10.127 8.236 -3.555 201 HB2 GLU 24 HB2 GLU 24 -12.592 8.704 -1.873 202 HB3 GLU 24 HB1 GLU 24 -11.711 9.970 -2.711 203 HG2 GLU 24 HG2 GLU 24 -12.145 8.657 -4.842 204 HG3 GLU 24 HG1 GLU 24 -13.286 7.712 -3.886 205 H GLN 25 HN GLN 25 -10.891 7.341 -0.263 206 HA GLN 25 HA GLN 25 -9.337 9.292 1.053 207 HB2 GLN 25 HB2 GLN 25 -9.992 6.466 1.916 208 HB3 GLN 25 HB1 GLN 25 -9.341 7.716 2.960 209 HG2 GLN 25 HG2 GLN 25 -11.405 9.015 2.681 210 HG3 GLN 25 HG1 GLN 25 -12.023 7.760 1.605 211 HE21 GLN 25 HE21 GLN 25 -12.700 5.882 2.409 212 HE22 GLN 25 HE22 GLN 25 -12.941 5.539 4.088 213 H LEU 26 HN LEU 26 -8.649 6.035 -0.064 214 HA LEU 26 HA LEU 26 -6.015 5.808 0.805 215 HB2 LEU 26 HB2 LEU 26 -7.334 4.579 -1.607 216 HB3 LEU 26 HB1 LEU 26 -5.762 4.114 -0.996 217 HG LEU 26 HG LEU 26 -8.345 3.846 0.541 218 HD11 LEU 26 HD11 LEU 26 -8.103 1.457 0.132 219 HD12 LEU 26 HD12 LEU 26 -6.696 1.771 -0.885 220 HD13 LEU 26 HD13 LEU 26 -8.288 2.346 -1.379 221 HD21 LEU 26 HD21 LEU 26 -6.409 4.113 2.001 222 HD22 LEU 26 HD22 LEU 26 -5.555 2.848 1.123 223 HD23 LEU 26 HD23 LEU 26 -7.000 2.453 2.053 224 H LYS 27 HN LYS 27 -7.273 7.131 -2.223 225 HA LYS 27 HA LYS 27 -4.719 7.484 -3.366 226 HB2 LYS 27 HB2 LYS 27 -7.327 8.823 -4.089 227 HB3 LYS 27 HB1 LYS 27 -5.829 9.023 -4.989 228 HG2 LYS 27 HG2 LYS 27 -5.795 6.581 -5.406 229 HG3 LYS 27 HG1 LYS 27 -7.351 6.449 -4.592 230 HD2 LYS 27 HD2 LYS 27 -7.687 6.508 -7.000 231 HD3 LYS 27 HD1 LYS 27 -8.326 7.991 -6.285 232 HE2 LYS 27 HE2 LYS 27 -6.280 9.173 -6.942 233 HE3 LYS 27 HE1 LYS 27 -5.632 7.690 -7.620 234 HZ1 LYS 27 HZ1 LYS 27 -8.033 9.157 -8.575 235 HZ2 LYS 27 HZ2 LYS 27 -7.478 7.704 -9.241 236 HZ3 LYS 27 HZ3 LYS 27 -6.530 9.086 -9.314 237 H LYS 28 HN LYS 28 -6.521 9.503 -1.186 238 HA LYS 28 HA LYS 28 -4.964 11.862 -1.576 239 HB2 LYS 28 HB2 LYS 28 -6.878 10.915 0.481 240 HB3 LYS 28 HB1 LYS 28 -5.698 12.077 1.032 241 HG2 LYS 28 HG2 LYS 28 -7.694 13.255 0.477 242 HG3 LYS 28 HG1 LYS 28 -6.491 13.647 -0.729 243 HD2 LYS 28 HD2 LYS 28 -8.621 11.552 -1.177 244 HD3 LYS 28 HD1 LYS 28 -8.886 13.258 -1.507 245 HE2 LYS 28 HE2 LYS 28 -6.960 13.188 -3.085 246 HE3 LYS 28 HE1 LYS 28 -6.841 11.452 -2.799 247 HZ1 LYS 28 HZ1 LYS 28 -8.121 11.907 -4.810 248 HZ2 LYS 28 HZ2 LYS 28 -9.144 12.905 -3.948 249 HZ3 LYS 28 HZ3 LYS 28 -9.176 11.270 -3.643 250 H LYS 29 HN LYS 29 -4.668 9.080 0.530 251 HA LYS 29 HA LYS 29 -2.400 10.085 1.896 252 HB2 LYS 29 HB2 LYS 29 -3.538 7.313 1.683 253 HB3 LYS 29 HB1 LYS 29 -2.311 7.829 2.846 254 HG2 LYS 29 HG2 LYS 29 -3.832 9.431 3.799 255 HG3 LYS 29 HG1 LYS 29 -5.040 9.036 2.588 256 HD2 LYS 29 HD2 LYS 29 -5.251 6.845 3.423 257 HD3 LYS 29 HD1 LYS 29 -3.940 7.095 4.590 258 HE2 LYS 29 HE2 LYS 29 -6.515 8.615 4.463 259 HE3 LYS 29 HE1 LYS 29 -6.170 7.326 5.622 260 HZ1 LYS 29 HZ1 LYS 29 -4.276 8.755 6.422 261 HZ2 LYS 29 HZ2 LYS 29 -5.793 9.389 6.700 262 HZ3 LYS 29 HZ3 LYS 29 -4.856 10.000 5.442 263 H LEU 30 HN LEU 30 -2.948 8.201 -0.909 264 HA LEU 30 HA LEU 30 -0.258 7.369 -1.223 265 HB2 LEU 30 HB2 LEU 30 -2.475 7.529 -3.253 266 HB3 LEU 30 HB1 LEU 30 -0.888 6.866 -3.585 267 HG LEU 30 HG LEU 30 -2.848 5.753 -1.578 268 HD11 LEU 30 HD11 LEU 30 -2.020 4.742 -4.294 269 HD12 LEU 30 HD12 LEU 30 -3.591 5.423 -3.873 270 HD13 LEU 30 HD13 LEU 30 -3.068 3.899 -3.154 271 HD21 LEU 30 HD21 LEU 30 -0.158 4.734 -2.514 272 HD22 LEU 30 HD22 LEU 30 -1.283 3.847 -1.492 273 HD23 LEU 30 HD23 LEU 30 -0.545 5.329 -0.898 274 H VAL 31 HN VAL 31 -1.981 10.251 -2.145 275 HA VAL 31 HA VAL 31 0.158 11.037 -3.873 276 HB VAL 31 HB VAL 31 -2.203 11.832 -4.250 277 HG11 VAL 31 HG11 VAL 31 -1.666 13.695 -1.979 278 HG12 VAL 31 HG12 VAL 31 -2.854 12.392 -2.025 279 HG13 VAL 31 HG13 VAL 31 -3.033 13.787 -3.091 280 HG21 VAL 31 HG21 VAL 31 -1.605 14.091 -5.009 281 HG22 VAL 31 HG22 VAL 31 -0.391 12.885 -5.433 282 HG23 VAL 31 HG23 VAL 31 -0.103 13.986 -4.087 283 H GLU 32 HN GLU 32 -0.316 11.176 -0.477 284 HA GLU 32 HA GLU 32 1.702 13.271 -0.274 285 HB2 GLU 32 HB2 GLU 32 1.283 13.263 2.128 286 HB3 GLU 32 HB1 GLU 32 -0.239 13.399 1.271 287 HG2 GLU 32 HG2 GLU 32 -0.619 11.010 1.617 288 HG3 GLU 32 HG1 GLU 32 0.881 10.913 2.528 289 H VAL 33 HN VAL 33 1.289 9.905 -0.214 290 HA VAL 33 HA VAL 33 3.587 9.240 1.303 291 HB VAL 33 HB VAL 33 1.407 7.855 0.736 292 HG11 VAL 33 HG11 VAL 33 3.230 6.848 -1.415 293 HG12 VAL 33 HG12 VAL 33 1.716 7.701 -1.652 294 HG13 VAL 33 HG13 VAL 33 1.716 6.097 -0.906 295 HG21 VAL 33 HG21 VAL 33 3.103 7.238 2.281 296 HG22 VAL 33 HG22 VAL 33 4.055 6.520 0.941 297 HG23 VAL 33 HG23 VAL 33 2.475 5.849 1.383 298 H LEU 34 HN LEU 34 2.980 10.012 -1.979 299 HA LEU 34 HA LEU 34 5.376 8.811 -3.009 300 HB2 LEU 34 HB2 LEU 34 3.574 10.887 -4.246 301 HB3 LEU 34 HB1 LEU 34 4.899 10.104 -5.079 302 HG LEU 34 HG LEU 34 2.411 8.747 -4.038 303 HD11 LEU 34 HD11 LEU 34 1.899 8.431 -6.415 304 HD12 LEU 34 HD12 LEU 34 3.341 9.350 -6.846 305 HD13 LEU 34 HD13 LEU 34 2.009 10.142 -6.001 306 HD21 LEU 34 HD21 LEU 34 4.733 7.630 -5.611 307 HD22 LEU 34 HD22 LEU 34 3.229 6.778 -5.253 308 HD23 LEU 34 HD23 LEU 34 4.308 7.237 -3.943 309 H GLU 35 HN GLU 35 4.832 11.417 -1.156 310 HA GLU 35 HA GLU 35 7.161 12.922 -2.050 311 HB2 GLU 35 HB2 GLU 35 5.017 14.057 -1.402 312 HB3 GLU 35 HB1 GLU 35 5.257 13.437 0.226 313 HG2 GLU 35 HG2 GLU 35 5.938 15.749 0.086 314 HG3 GLU 35 HG1 GLU 35 7.331 14.713 0.392 315 H SER 36 HN SER 36 5.911 10.997 0.622 316 HA SER 36 HA SER 36 8.536 10.264 1.443 317 HB2 SER 36 HB2 SER 36 8.208 11.029 3.825 318 HB3 SER 36 HB1 SER 36 8.424 12.353 2.677 319 HG SER 36 HG SER 36 5.904 11.376 3.465 320 HA PRO 37 HA PRO 37 5.467 7.069 2.237 321 HB2 PRO 37 HB2 PRO 37 6.707 5.052 1.065 322 HB3 PRO 37 HB1 PRO 37 5.966 6.341 0.114 323 HG2 PRO 37 HG2 PRO 37 8.835 5.848 0.709 324 HG3 PRO 37 HG1 PRO 37 8.091 6.531 -0.748 325 HD2 PRO 37 HD2 PRO 37 9.287 7.944 1.376 326 HD3 PRO 37 HD1 PRO 37 8.318 8.635 0.061 327 H ARG 38 HN ARG 38 8.406 7.570 3.683 328 HA ARG 38 HA ARG 38 8.366 4.982 5.003 329 HB2 ARG 38 HB2 ARG 38 10.509 7.116 5.040 330 HB3 ARG 38 HB1 ARG 38 10.563 5.643 5.991 331 HG2 ARG 38 HG2 ARG 38 10.556 4.285 4.014 332 HG3 ARG 38 HG1 ARG 38 10.342 5.715 3.006 333 HD2 ARG 38 HD2 ARG 38 12.721 5.209 4.774 334 HD3 ARG 38 HD1 ARG 38 12.656 4.839 3.050 335 HE ARG 38 HE ARG 38 12.345 7.555 4.139 336 HH11 ARG 38 HH11 ARG 38 13.738 5.353 1.717 337 HH12 ARG 38 HH12 ARG 38 14.442 6.602 0.801 338 HH21 ARG 38 HH21 ARG 38 13.467 9.222 2.948 339 HH22 ARG 38 HH22 ARG 38 14.377 8.816 1.571 340 H ILE 39 HN ILE 39 6.722 5.095 6.263 341 HA ILE 39 HA ILE 39 6.747 7.126 8.365 342 HB ILE 39 HB ILE 39 4.479 5.255 7.576 343 HG12 ILE 39 HG12 ILE 39 4.840 8.186 6.875 344 HG13 ILE 39 HG11 ILE 39 5.145 6.856 5.771 345 HG21 ILE 39 HG21 ILE 39 4.542 7.736 9.317 346 HG22 ILE 39 HG22 ILE 39 4.378 6.078 9.894 347 HG23 ILE 39 HG23 ILE 39 3.099 6.803 8.917 348 HD11 ILE 39 HD11 ILE 39 3.026 7.893 5.341 349 HD12 ILE 39 HD12 ILE 39 2.494 7.574 6.998 350 HD13 ILE 39 HD13 ILE 39 2.798 6.230 5.882 351 H GLU 40 HN GLU 40 8.298 6.195 9.596 352 HA GLU 40 HA GLU 40 8.612 3.459 10.089 353 HB2 GLU 40 HB2 GLU 40 10.242 4.166 11.803 354 HB3 GLU 40 HB1 GLU 40 10.464 4.936 10.242 355 HG2 GLU 40 HG2 GLU 40 9.267 6.928 11.139 356 HG3 GLU 40 HG1 GLU 40 9.274 6.144 12.719 357 H ALA 41 HN ALA 41 6.179 5.208 11.237 358 HA ALA 41 HA ALA 41 6.034 3.940 13.854 359 HB1 ALA 41 HB1 ALA 41 4.073 5.783 12.476 360 HB2 ALA 41 HB2 ALA 41 5.301 6.274 13.641 361 HB3 ALA 41 HB3 ALA 41 3.970 5.230 14.148 362 H ASN 42 HN ASN 42 4.941 3.507 10.599 363 HA ASN 42 HA ASN 42 2.965 1.498 11.418 364 HB2 ASN 42 HB2 ASN 42 3.247 3.193 8.956 365 HB3 ASN 42 HB1 ASN 42 2.111 1.861 9.094 366 HD21 ASN 42 HD21 ASN 42 1.883 4.761 8.786 367 HD22 ASN 42 HD22 ASN 42 0.763 5.279 10.006 368 H LYS 43 HN LYS 43 6.021 1.315 10.893 369 HA LYS 43 HA LYS 43 6.041 -0.369 8.586 370 HB2 LYS 43 HB2 LYS 43 8.461 -0.764 9.117 371 HB3 LYS 43 HB1 LYS 43 7.989 0.919 8.927 372 HG2 LYS 43 HG2 LYS 43 8.013 1.216 11.336 373 HG3 LYS 43 HG1 LYS 43 8.501 -0.471 11.537 374 HD2 LYS 43 HD2 LYS 43 10.544 -0.082 10.324 375 HD3 LYS 43 HD1 LYS 43 10.049 1.564 9.931 376 HE2 LYS 43 HE2 LYS 43 10.075 2.120 12.314 377 HE3 LYS 43 HE1 LYS 43 10.589 0.479 12.682 378 HZ1 LYS 43 HZ1 LYS 43 12.449 2.054 12.625 379 HZ2 LYS 43 HZ2 LYS 43 12.163 2.376 10.989 380 HZ3 LYS 43 HZ3 LYS 43 12.616 0.842 11.485 381 H LEU 44 HN LEU 44 5.917 -2.441 8.420 382 HA LEU 44 HA LEU 44 4.414 -3.828 10.281 383 HB2 LEU 44 HB2 LEU 44 6.048 -4.908 8.024 384 HB3 LEU 44 HB1 LEU 44 4.758 -5.751 8.852 385 HG LEU 44 HG LEU 44 4.482 -3.302 7.116 386 HD11 LEU 44 HD11 LEU 44 4.906 -5.344 5.875 387 HD12 LEU 44 HD12 LEU 44 3.245 -4.803 5.633 388 HD13 LEU 44 HD13 LEU 44 3.588 -6.150 6.719 389 HD21 LEU 44 HD21 LEU 44 2.060 -3.608 7.423 390 HD22 LEU 44 HD22 LEU 44 2.872 -3.217 8.933 391 HD23 LEU 44 HD23 LEU 44 2.379 -4.878 8.604 392 H ARG 45 HN ARG 45 4.809 -5.636 11.477 393 HA ARG 45 HA ARG 45 7.329 -5.581 12.837 394 HB2 ARG 45 HB2 ARG 45 5.238 -5.767 14.140 395 HB3 ARG 45 HB1 ARG 45 4.853 -7.272 13.324 396 HG2 ARG 45 HG2 ARG 45 6.691 -8.388 14.381 397 HG3 ARG 45 HG1 ARG 45 7.277 -6.868 15.050 398 HD2 ARG 45 HD2 ARG 45 6.125 -8.225 16.742 399 HD3 ARG 45 HD1 ARG 45 5.311 -6.692 16.465 400 HE ARG 45 HE ARG 45 3.474 -7.814 15.744 401 HH11 ARG 45 HH11 ARG 45 6.171 -10.147 15.668 402 HH12 ARG 45 HH12 ARG 45 5.160 -11.507 15.621 403 HH21 ARG 45 HH21 ARG 45 2.107 -9.751 15.791 404 HH22 ARG 45 HH22 ARG 45 2.846 -11.297 15.718 405 H GLY 46 HN GLY 46 8.746 -6.283 11.344 406 HA2 GLY 46 HA2 GLY 46 9.929 -8.529 11.129 407 HA3 GLY 46 HA1 GLY 46 8.444 -9.024 10.319 408 H MET 47 HN MET 47 8.160 -6.277 9.188 409 HA MET 47 HA MET 47 10.193 -6.467 7.061 410 HB2 MET 47 HB2 MET 47 7.265 -5.751 6.772 411 HB3 MET 47 HB1 MET 47 8.469 -5.550 5.519 412 HG2 MET 47 HG2 MET 47 7.616 -8.164 6.728 413 HG3 MET 47 HG1 MET 47 7.058 -7.510 5.192 414 HE1 MET 47 HE1 MET 47 9.201 -10.423 3.895 415 HE2 MET 47 HE2 MET 47 7.817 -9.416 3.539 416 HE3 MET 47 HE3 MET 47 7.888 -10.276 5.079 417 HA PRO 48 HA PRO 48 10.626 -2.297 8.866 418 HB2 PRO 48 HB2 PRO 48 13.218 -2.318 7.509 419 HB3 PRO 48 HB1 PRO 48 12.857 -2.186 9.233 420 HG2 PRO 48 HG2 PRO 48 13.993 -4.391 8.164 421 HG3 PRO 48 HG1 PRO 48 12.900 -4.459 9.555 422 HD2 PRO 48 HD2 PRO 48 12.332 -5.063 6.675 423 HD3 PRO 48 HD1 PRO 48 11.804 -5.916 8.143 424 H ASP 49 HN ASP 49 11.064 -3.337 5.560 425 HA ASP 49 HA ASP 49 10.994 -0.584 4.591 426 HB2 ASP 49 HB2 ASP 49 11.666 -1.492 2.430 427 HB3 ASP 49 HB1 ASP 49 12.766 -2.030 3.686 428 H CYS 50 HN CYS 50 8.781 -2.675 5.487 429 HA CYS 50 HA CYS 50 6.978 -1.931 3.306 430 HB2 CYS 50 HB2 CYS 50 6.770 -4.380 5.074 431 HB3 CYS 50 HB1 CYS 50 5.688 -3.952 3.758 432 HG CYS 50 HG CYS 50 8.868 -4.161 2.776 433 H TYR 51 HN TYR 51 5.289 -0.758 3.888 434 HA TYR 51 HA TYR 51 4.848 -0.322 6.748 435 HB2 TYR 51 HB2 TYR 51 4.807 1.786 4.568 436 HB3 TYR 51 HB1 TYR 51 4.537 2.054 6.282 437 HD1 TYR 51 HD1 TYR 51 7.085 1.102 3.786 438 HD2 TYR 51 HD2 TYR 51 6.386 2.435 7.741 439 HE1 TYR 51 HE1 TYR 51 9.481 1.552 4.040 440 HE2 TYR 51 HE2 TYR 51 8.794 2.893 8.013 441 HH TYR 51 HH TYR 51 10.918 2.126 7.023 442 H LYS 52 HN LYS 52 2.701 0.833 7.013 443 HA LYS 52 HA LYS 52 0.688 -0.053 5.070 444 HB2 LYS 52 HB2 LYS 52 -0.673 -0.932 6.896 445 HB3 LYS 52 HB1 LYS 52 0.887 -1.756 6.894 446 HG2 LYS 52 HG2 LYS 52 1.688 -0.296 8.662 447 HG3 LYS 52 HG1 LYS 52 0.164 0.575 8.637 448 HD2 LYS 52 HD2 LYS 52 -0.970 -1.498 9.380 449 HD3 LYS 52 HD1 LYS 52 0.614 -2.286 9.480 450 HE2 LYS 52 HE2 LYS 52 1.369 -0.533 11.028 451 HE3 LYS 52 HE1 LYS 52 -0.230 0.189 10.979 452 HZ1 LYS 52 HZ1 LYS 52 0.491 -2.481 12.008 453 HZ2 LYS 52 HZ2 LYS 52 -1.116 -1.884 11.920 454 HZ3 LYS 52 HZ3 LYS 52 0.018 -1.128 12.921 455 H ILE 53 HN ILE 53 -1.172 1.213 5.147 456 HA ILE 53 HA ILE 53 -1.306 3.295 7.192 457 HB ILE 53 HB ILE 53 -2.097 3.829 4.293 458 HG12 ILE 53 HG12 ILE 53 0.326 4.903 5.773 459 HG13 ILE 53 HG11 ILE 53 0.379 3.618 4.583 460 HG21 ILE 53 HG21 ILE 53 -1.850 5.566 6.749 461 HG22 ILE 53 HG22 ILE 53 -3.345 5.055 5.993 462 HG23 ILE 53 HG23 ILE 53 -2.252 6.172 5.137 463 HD11 ILE 53 HD11 ILE 53 -0.509 6.447 4.054 464 HD12 ILE 53 HD12 ILE 53 -0.413 5.135 2.868 465 HD13 ILE 53 HD13 ILE 53 1.058 5.746 3.629 466 H LYS 54 HN LYS 54 -3.466 3.657 7.866 467 HA LYS 54 HA LYS 54 -5.366 1.828 6.639 468 HB2 LYS 54 HB2 LYS 54 -6.071 1.067 8.856 469 HB3 LYS 54 HB1 LYS 54 -4.397 0.656 8.503 470 HG2 LYS 54 HG2 LYS 54 -3.799 2.787 9.780 471 HG3 LYS 54 HG1 LYS 54 -5.463 2.737 10.361 472 HD2 LYS 54 HD2 LYS 54 -3.407 0.594 10.643 473 HD3 LYS 54 HD1 LYS 54 -3.913 1.708 11.910 474 HE2 LYS 54 HE2 LYS 54 -6.210 0.776 11.785 475 HE3 LYS 54 HE1 LYS 54 -5.660 -0.365 10.557 476 HZ1 LYS 54 HZ1 LYS 54 -5.677 -1.408 12.752 477 HZ2 LYS 54 HZ2 LYS 54 -4.655 -0.189 13.323 478 HZ3 LYS 54 HZ3 LYS 54 -4.093 -1.261 12.178 479 H LEU 55 HN LEU 55 -7.389 2.387 6.674 480 HA LEU 55 HA LEU 55 -8.054 5.168 7.115 481 HB2 LEU 55 HB2 LEU 55 -9.641 2.863 5.994 482 HB3 LEU 55 HB1 LEU 55 -10.167 4.526 5.982 483 HG LEU 55 HG LEU 55 -7.858 3.359 4.443 484 HD11 LEU 55 HD11 LEU 55 -10.036 2.774 3.582 485 HD12 LEU 55 HD12 LEU 55 -9.221 3.904 2.502 486 HD13 LEU 55 HD13 LEU 55 -10.510 4.472 3.566 487 HD21 LEU 55 HD21 LEU 55 -7.691 5.586 3.407 488 HD22 LEU 55 HD22 LEU 55 -7.315 5.612 5.125 489 HD23 LEU 55 HD23 LEU 55 -8.884 6.193 4.558 490 H ARG 56 HN ARG 56 -8.587 5.619 9.112 491 HA ARG 56 HA ARG 56 -9.431 3.696 11.004 492 HB2 ARG 56 HB2 ARG 56 -9.737 5.666 12.516 493 HB3 ARG 56 HB1 ARG 56 -8.135 5.479 11.824 494 HG2 ARG 56 HG2 ARG 56 -8.766 7.169 10.106 495 HG3 ARG 56 HG1 ARG 56 -10.272 7.416 10.994 496 HD2 ARG 56 HD2 ARG 56 -9.069 8.165 12.924 497 HD3 ARG 56 HD1 ARG 56 -7.529 7.727 12.180 498 HE ARG 56 HE ARG 56 -9.261 9.738 10.957 499 HH11 ARG 56 HH11 ARG 56 -6.208 8.936 12.559 500 HH12 ARG 56 HH12 ARG 56 -5.373 10.316 12.030 501 HH21 ARG 56 HH21 ARG 56 -8.124 11.704 10.266 502 HH22 ARG 56 HH22 ARG 56 -6.513 11.950 10.723 503 H SER 57 HN SER 57 -11.252 5.712 8.863 504 HA SER 57 HA SER 57 -13.653 5.345 10.430 505 HB2 SER 57 HB2 SER 57 -13.240 6.691 7.752 506 HB3 SER 57 HB1 SER 57 -14.701 6.753 8.733 507 HG SER 57 HG SER 57 -13.855 8.305 9.775 508 H SER 58 HN SER 58 -12.039 3.855 7.767 509 HA SER 58 HA SER 58 -14.516 2.509 6.974 510 HB2 SER 58 HB2 SER 58 -11.881 2.583 5.507 511 HB3 SER 58 HB1 SER 58 -13.433 2.018 4.879 512 HG SER 58 HG SER 58 -14.205 4.198 5.360 513 H GLY 59 HN GLY 59 -11.291 1.800 8.281 514 HA2 GLY 59 HA2 GLY 59 -10.720 -0.092 9.481 515 HA3 GLY 59 HA1 GLY 59 -12.161 -0.920 8.881 516 H TYR 60 HN TYR 60 -10.366 0.684 6.578 517 HA TYR 60 HA TYR 60 -9.345 -1.851 5.550 518 HB2 TYR 60 HB2 TYR 60 -9.932 0.787 4.224 519 HB3 TYR 60 HB1 TYR 60 -8.961 -0.449 3.431 520 HD1 TYR 60 HD1 TYR 60 -12.304 -0.002 5.075 521 HD2 TYR 60 HD2 TYR 60 -10.022 -2.013 2.115 522 HE1 TYR 60 HE1 TYR 60 -14.343 -1.073 4.239 523 HE2 TYR 60 HE2 TYR 60 -12.054 -3.097 1.272 524 HH TYR 60 HH TYR 60 -15.164 -2.110 2.237 525 H ARG 61 HN ARG 61 -7.246 -1.591 4.296 526 HA ARG 61 HA ARG 61 -5.431 0.362 5.264 527 HB2 ARG 61 HB2 ARG 61 -3.738 -1.364 5.985 528 HB3 ARG 61 HB1 ARG 61 -5.102 -1.199 7.076 529 HG2 ARG 61 HG2 ARG 61 -5.254 -3.302 4.981 530 HG3 ARG 61 HG1 ARG 61 -4.160 -3.565 6.347 531 HD2 ARG 61 HD2 ARG 61 -7.058 -2.803 6.651 532 HD3 ARG 61 HD1 ARG 61 -6.500 -4.477 6.584 533 HE ARG 61 HE ARG 61 -4.968 -3.325 8.542 534 HH11 ARG 61 HH11 ARG 61 -8.551 -3.439 8.190 535 HH12 ARG 61 HH12 ARG 61 -8.741 -3.699 9.847 536 HH21 ARG 61 HH21 ARG 61 -5.345 -3.636 10.679 537 HH22 ARG 61 HH22 ARG 61 -6.952 -3.837 11.316 538 H LEU 62 HN LEU 62 -3.353 0.056 4.213 539 HA LEU 62 HA LEU 62 -3.457 -1.401 1.715 540 HB2 LEU 62 HB2 LEU 62 -4.216 0.929 1.309 541 HB3 LEU 62 HB1 LEU 62 -2.763 1.534 2.062 542 HG LEU 62 HG LEU 62 -2.625 -0.134 -0.449 543 HD11 LEU 62 HD11 LEU 62 -3.007 2.859 -0.247 544 HD12 LEU 62 HD12 LEU 62 -4.184 1.711 -0.882 545 HD13 LEU 62 HD13 LEU 62 -2.653 1.960 -1.722 546 HD21 LEU 62 HD21 LEU 62 -0.851 2.028 0.707 547 HD22 LEU 62 HD22 LEU 62 -0.566 1.149 -0.795 548 HD23 LEU 62 HD23 LEU 62 -0.531 0.293 0.748 549 H VAL 63 HN VAL 63 -1.571 -2.399 1.370 550 HA VAL 63 HA VAL 63 0.615 -1.932 3.295 551 HB VAL 63 HB VAL 63 0.192 -4.421 1.658 552 HG11 VAL 63 HG11 VAL 63 1.662 -3.932 4.226 553 HG12 VAL 63 HG12 VAL 63 2.365 -4.191 2.627 554 HG13 VAL 63 HG13 VAL 63 1.496 -5.499 3.433 555 HG21 VAL 63 HG21 VAL 63 -1.867 -4.148 2.888 556 HG22 VAL 63 HG22 VAL 63 -0.978 -3.912 4.396 557 HG23 VAL 63 HG23 VAL 63 -0.935 -5.478 3.577 558 H TYR 64 HN TYR 64 2.564 -1.358 2.385 559 HA TYR 64 HA TYR 64 3.025 -1.925 -0.429 560 HB2 TYR 64 HB2 TYR 64 3.616 0.409 -0.954 561 HB3 TYR 64 HB1 TYR 64 1.932 0.282 -0.469 562 HD1 TYR 64 HD1 TYR 64 1.330 0.934 1.909 563 HD2 TYR 64 HD2 TYR 64 5.085 1.905 0.160 564 HE1 TYR 64 HE1 TYR 64 1.673 2.634 3.618 565 HE2 TYR 64 HE2 TYR 64 5.436 3.621 1.895 566 HH TYR 64 HH TYR 64 4.220 4.934 3.463 567 H GLN 65 HN GLN 65 5.239 -1.409 -1.021 568 HA GLN 65 HA GLN 65 7.097 -1.597 1.234 569 HB2 GLN 65 HB2 GLN 65 7.144 -3.570 -0.225 570 HB3 GLN 65 HB1 GLN 65 7.379 -2.544 -1.631 571 HG2 GLN 65 HG2 GLN 65 9.542 -1.772 -0.603 572 HG3 GLN 65 HG1 GLN 65 9.317 -2.999 0.640 573 HE21 GLN 65 HE21 GLN 65 8.118 -4.774 -1.201 574 HE22 GLN 65 HE22 GLN 65 9.349 -5.464 -2.213 575 H VAL 66 HN VAL 66 8.832 -0.281 1.114 576 HA VAL 66 HA VAL 66 8.547 1.938 -0.774 577 HB VAL 66 HB VAL 66 10.028 1.884 1.876 578 HG11 VAL 66 HG11 VAL 66 11.251 3.262 0.229 579 HG12 VAL 66 HG12 VAL 66 10.483 4.275 1.455 580 HG13 VAL 66 HG13 VAL 66 9.760 4.126 -0.146 581 HG21 VAL 66 HG21 VAL 66 7.632 2.048 2.066 582 HG22 VAL 66 HG22 VAL 66 7.615 3.337 0.876 583 HG23 VAL 66 HG23 VAL 66 8.362 3.610 2.460 584 H ILE 67 HN ILE 67 9.760 1.732 -2.458 585 HA ILE 67 HA ILE 67 12.320 0.352 -2.172 586 HB ILE 67 HB ILE 67 10.764 0.993 -4.678 587 HG12 ILE 67 HG12 ILE 67 10.861 -1.607 -3.114 588 HG13 ILE 67 HG11 ILE 67 9.471 -0.549 -3.275 589 HG21 ILE 67 HG21 ILE 67 13.167 0.645 -4.997 590 HG22 ILE 67 HG22 ILE 67 12.252 -0.680 -5.715 591 HG23 ILE 67 HG23 ILE 67 13.064 -0.905 -4.166 592 HD11 ILE 67 HD11 ILE 67 9.260 -2.502 -4.699 593 HD12 ILE 67 HD12 ILE 67 10.784 -2.102 -5.496 594 HD13 ILE 67 HD13 ILE 67 9.390 -1.038 -5.673 595 H ASP 68 HN ASP 68 13.803 1.911 -1.770 596 HA ASP 68 HA ASP 68 13.334 4.564 -2.858 597 HB2 ASP 68 HB2 ASP 68 14.046 4.240 -0.475 598 HB3 ASP 68 HB1 ASP 68 15.597 3.661 -1.071 599 H GLU 69 HN GLU 69 15.247 1.799 -3.454 600 HA GLU 69 HA GLU 69 17.312 2.983 -4.965 601 HB2 GLU 69 HB2 GLU 69 17.646 0.714 -5.945 602 HB3 GLU 69 HB1 GLU 69 17.584 0.715 -4.193 603 HG2 GLU 69 HG2 GLU 69 15.300 -0.102 -4.249 604 HG3 GLU 69 HG1 GLU 69 15.302 -0.016 -6.005 605 H LYS 70 HN LYS 70 14.105 1.902 -5.872 606 HA LYS 70 HA LYS 70 14.521 2.798 -8.644 607 HB2 LYS 70 HB2 LYS 70 12.175 1.390 -7.368 608 HB3 LYS 70 HB1 LYS 70 12.234 1.903 -9.045 609 HG2 LYS 70 HG2 LYS 70 14.130 0.348 -9.398 610 HG3 LYS 70 HG1 LYS 70 13.978 -0.172 -7.722 611 HD2 LYS 70 HD2 LYS 70 12.832 -1.750 -9.189 612 HD3 LYS 70 HD1 LYS 70 11.666 -0.912 -8.173 613 HE2 LYS 70 HE2 LYS 70 11.126 0.603 -10.034 614 HE3 LYS 70 HE1 LYS 70 12.304 -0.228 -11.050 615 HZ1 LYS 70 HZ1 LYS 70 10.959 -2.239 -10.860 616 HZ2 LYS 70 HZ2 LYS 70 10.032 -0.960 -11.464 617 HZ3 LYS 70 HZ3 LYS 70 9.868 -1.445 -9.864 618 H VAL 71 HN VAL 71 13.287 3.779 -5.695 619 HA VAL 71 HA VAL 71 12.166 5.505 -4.868 620 HB VAL 71 HB VAL 71 12.269 6.978 -7.512 621 HG11 VAL 71 HG11 VAL 71 11.025 7.909 -5.656 622 HG12 VAL 71 HG12 VAL 71 12.393 8.942 -6.103 623 HG13 VAL 71 HG13 VAL 71 12.479 7.897 -4.672 624 HG21 VAL 71 HG21 VAL 71 14.519 6.778 -5.528 625 HG22 VAL 71 HG22 VAL 71 14.433 7.876 -6.922 626 HG23 VAL 71 HG23 VAL 71 14.496 6.124 -7.176 627 H VAL 72 HN VAL 72 10.515 3.778 -5.082 628 HA VAL 72 HA VAL 72 8.183 4.813 -6.433 629 HB VAL 72 HB VAL 72 7.580 2.586 -7.328 630 HG11 VAL 72 HG11 VAL 72 10.251 3.471 -8.389 631 HG12 VAL 72 HG12 VAL 72 8.695 4.170 -8.804 632 HG13 VAL 72 HG13 VAL 72 9.050 2.497 -9.249 633 HG21 VAL 72 HG21 VAL 72 8.836 1.176 -5.828 634 HG22 VAL 72 HG22 VAL 72 10.348 1.775 -6.514 635 HG23 VAL 72 HG23 VAL 72 9.258 0.804 -7.504 636 H VAL 73 HN VAL 73 6.276 4.106 -5.481 637 HA VAL 73 HA VAL 73 6.496 2.713 -2.934 638 HB VAL 73 HB VAL 73 4.296 4.481 -4.082 639 HG11 VAL 73 HG11 VAL 73 3.378 2.729 -2.631 640 HG12 VAL 73 HG12 VAL 73 3.231 4.323 -1.892 641 HG13 VAL 73 HG13 VAL 73 4.492 3.214 -1.351 642 HG21 VAL 73 HG21 VAL 73 4.930 6.038 -2.286 643 HG22 VAL 73 HG22 VAL 73 6.221 5.755 -3.453 644 HG23 VAL 73 HG23 VAL 73 6.279 4.971 -1.872 645 H PHE 74 HN PHE 74 6.295 0.637 -3.385 646 HA PHE 74 HA PHE 74 4.533 -0.175 -5.556 647 HB2 PHE 74 HB2 PHE 74 6.757 -1.034 -5.785 648 HB3 PHE 74 HB1 PHE 74 6.771 -1.611 -4.128 649 HD1 PHE 74 HD2 PHE 74 4.118 -2.060 -6.710 650 HD2 PHE 74 HD1 PHE 74 7.157 -3.879 -4.354 651 HE1 PHE 74 HE2 PHE 74 3.374 -4.262 -7.457 652 HE2 PHE 74 HE1 PHE 74 6.402 -6.093 -5.104 653 HZ PHE 74 HZ PHE 74 4.502 -6.276 -6.658 654 H VAL 75 HN VAL 75 2.560 -0.373 -4.879 655 HA VAL 75 HA VAL 75 1.899 -1.278 -2.256 656 HB VAL 75 HB VAL 75 0.070 -0.886 -4.631 657 HG11 VAL 75 HG11 VAL 75 -0.937 -2.247 -2.894 658 HG12 VAL 75 HG12 VAL 75 -1.695 -0.656 -2.932 659 HG13 VAL 75 HG13 VAL 75 -0.516 -1.043 -1.676 660 HG21 VAL 75 HG21 VAL 75 1.265 1.162 -4.148 661 HG22 VAL 75 HG22 VAL 75 0.852 1.040 -2.440 662 HG23 VAL 75 HG23 VAL 75 -0.416 1.319 -3.639 663 H ILE 76 HN ILE 76 1.595 -3.201 -1.616 664 HA ILE 76 HA ILE 76 1.961 -5.481 -3.369 665 HB ILE 76 HB ILE 76 1.573 -5.362 -0.372 666 HG12 ILE 76 HG12 ILE 76 3.544 -4.055 -1.100 667 HG13 ILE 76 HG11 ILE 76 4.008 -5.453 -0.151 668 HG21 ILE 76 HG21 ILE 76 1.125 -7.569 -1.304 669 HG22 ILE 76 HG22 ILE 76 2.595 -7.576 -0.335 670 HG23 ILE 76 HG23 ILE 76 2.705 -7.571 -2.094 671 HD11 ILE 76 HD11 ILE 76 5.516 -5.135 -2.011 672 HD12 ILE 76 HD12 ILE 76 4.167 -5.167 -3.146 673 HD13 ILE 76 HD13 ILE 76 4.595 -6.622 -2.244 674 H SER 77 HN SER 77 -0.475 -4.251 -1.028 675 HA SER 77 HA SER 77 -2.553 -5.570 -2.486 676 HB2 SER 77 HB2 SER 77 -1.534 -7.349 -0.997 677 HB3 SER 77 HB1 SER 77 -2.067 -6.390 0.383 678 HG SER 77 HG SER 77 -3.930 -7.226 0.148 679 H VAL 78 HN VAL 78 -4.672 -4.933 -1.651 680 HA VAL 78 HA VAL 78 -4.682 -2.674 0.202 681 HB VAL 78 HB VAL 78 -6.263 -2.723 -2.389 682 HG11 VAL 78 HG11 VAL 78 -7.244 -1.409 -0.643 683 HG12 VAL 78 HG12 VAL 78 -6.664 -0.369 -1.943 684 HG13 VAL 78 HG13 VAL 78 -5.745 -0.503 -0.443 685 HG21 VAL 78 HG21 VAL 78 -3.713 -1.186 -1.901 686 HG22 VAL 78 HG22 VAL 78 -4.771 -0.998 -3.298 687 HG23 VAL 78 HG23 VAL 78 -3.924 -2.522 -3.032 688 H GLY 79 HN GLY 79 -6.607 -2.746 1.475 689 HA2 GLY 79 HA2 GLY 79 -9.055 -3.497 1.062 690 HA3 GLY 79 HA1 GLY 79 -8.300 -5.080 0.958 691 H LYS 80 HN LYS 80 -9.322 -5.884 2.735 692 HA LYS 80 HA LYS 80 -8.642 -4.593 5.265 693 HB2 LYS 80 HB2 LYS 80 -10.965 -6.339 4.509 694 HB3 LYS 80 HB1 LYS 80 -10.526 -6.103 6.193 695 HG2 LYS 80 HG2 LYS 80 -10.843 -3.687 5.943 696 HG3 LYS 80 HG1 LYS 80 -11.264 -3.913 4.247 697 HD2 LYS 80 HD2 LYS 80 -12.796 -5.137 6.548 698 HD3 LYS 80 HD1 LYS 80 -13.215 -3.606 5.793 699 HE2 LYS 80 HE2 LYS 80 -13.582 -4.679 3.674 700 HE3 LYS 80 HE1 LYS 80 -13.019 -6.221 4.299 701 HZ1 LYS 80 HZ1 LYS 80 -15.422 -6.071 4.168 702 HZ2 LYS 80 HZ2 LYS 80 -15.461 -4.799 5.281 703 HZ3 LYS 80 HZ3 LYS 80 -14.898 -6.343 5.724 704 H ALA 81 HN ALA 81 -7.832 -5.804 6.958 705 HA ALA 81 HA ALA 81 -6.936 -8.483 6.381 706 HB1 ALA 81 HB1 ALA 81 -5.159 -7.061 5.479 707 HB2 ALA 81 HB2 ALA 81 -4.610 -7.923 6.917 708 HB3 ALA 81 HB3 ALA 81 -5.044 -6.218 7.024 709 H GLU 82 HN GLU 82 -5.533 -9.116 8.405 710 HA GLU 82 HA GLU 82 -5.405 -9.586 10.630 711 HB2 GLU 82 HB2 GLU 82 -5.397 -7.035 10.981 712 HB3 GLU 82 HB1 GLU 82 -7.139 -7.121 11.152 713 HG2 GLU 82 HG2 GLU 82 -6.752 -8.686 13.092 714 HG3 GLU 82 HG1 GLU 82 -5.045 -8.282 12.977 715 H ALA 83 HN ALA 83 -7.402 -10.305 8.718 716 HA ALA 83 HA ALA 83 -9.426 -11.423 10.477 717 HB1 ALA 83 HB1 ALA 83 -10.199 -9.755 8.095 718 HB2 ALA 83 HB2 ALA 83 -10.362 -9.277 9.785 719 HB3 ALA 83 HB3 ALA 83 -11.296 -10.637 9.158 720 H SER 84 HN SER 84 -7.201 -12.019 8.215 721 HA SER 84 HA SER 84 -8.801 -13.817 6.600 722 HB2 SER 84 HB2 SER 84 -6.875 -12.370 5.682 723 HB3 SER 84 HB1 SER 84 -5.783 -13.400 6.598 724 HG SER 84 HG SER 84 -6.025 -14.934 5.171 725 H GLU 85 HN GLU 85 -6.061 -13.719 8.796 726 HA GLU 85 HA GLU 85 -6.886 -15.319 10.703 727 HB2 GLU 85 HB2 GLU 85 -5.648 -17.493 10.469 728 HB3 GLU 85 HB1 GLU 85 -6.989 -17.333 9.359 729 HG2 GLU 85 HG2 GLU 85 -5.364 -16.829 7.565 730 HG3 GLU 85 HG1 GLU 85 -4.058 -17.076 8.731 731 H VAL 86 HN VAL 86 -5.982 -14.165 12.047 732 HA VAL 86 HA VAL 86 -3.244 -13.228 11.656 733 HB VAL 86 HB VAL 86 -4.997 -11.556 11.982 734 HG11 VAL 86 HG11 VAL 86 -5.493 -12.862 14.634 735 HG12 VAL 86 HG12 VAL 86 -6.609 -12.722 13.268 736 HG13 VAL 86 HG13 VAL 86 -6.120 -11.286 14.161 737 HG21 VAL 86 HG21 VAL 86 -4.031 -10.260 13.828 738 HG22 VAL 86 HG22 VAL 86 -2.803 -10.962 12.777 739 HG23 VAL 86 HG23 VAL 86 -3.146 -11.694 14.344 740 H TYR 87 HN TYR 87 -4.895 -15.561 13.357 741 HA TYR 87 HA TYR 87 -3.308 -15.544 15.796 742 HB2 TYR 87 HB2 TYR 87 -4.664 -17.374 16.510 743 HB3 TYR 87 HB1 TYR 87 -5.749 -16.281 15.662 744 HD1 TYR 87 HD2 TYR 87 -6.159 -16.891 13.100 745 HD2 TYR 87 HD1 TYR 87 -4.686 -19.643 15.990 746 HE1 TYR 87 HE2 TYR 87 -6.843 -18.764 11.665 747 HE2 TYR 87 HE1 TYR 87 -5.360 -21.516 14.550 748 HH TYR 87 HH TYR 87 -6.138 -21.134 11.329 749 H SER 88 HN SER 88 -2.975 -16.737 12.658 750 HA SER 88 HA SER 88 -2.098 -19.322 13.020 751 HB2 SER 88 HB2 SER 88 -1.532 -17.485 10.728 752 HB3 SER 88 HB1 SER 88 -1.654 -19.250 10.710 753 HG SER 88 HG SER 88 -3.683 -18.749 10.210 754 H GLU 89 HN GLU 89 -0.248 -16.363 13.335 755 HA GLU 89 HA GLU 89 2.242 -17.723 12.929 756 HB2 GLU 89 HB2 GLU 89 3.365 -15.727 13.757 757 HB3 GLU 89 HB1 GLU 89 2.149 -15.318 12.564 758 HG2 GLU 89 HG2 GLU 89 0.756 -14.338 14.144 759 HG3 GLU 89 HG1 GLU 89 1.545 -15.162 15.489 760 H ALA 90 HN ALA 90 0.084 -17.526 15.547 761 HA ALA 90 HA ALA 90 2.161 -18.600 17.304 762 HB1 ALA 90 HB1 ALA 90 1.037 -17.554 19.206 763 HB2 ALA 90 HB2 ALA 90 -0.158 -16.840 18.122 764 HB3 ALA 90 HB3 ALA 90 1.528 -16.333 18.028 765 H VAL 91 HN VAL 91 1.708 -20.709 17.001 766 HA VAL 91 HA VAL 91 -0.946 -21.647 16.857 767 HB VAL 91 HB VAL 91 -0.005 -23.939 17.036 768 HG11 VAL 91 HG11 VAL 91 1.464 -22.133 15.127 769 HG12 VAL 91 HG12 VAL 91 -0.108 -22.887 14.864 770 HG13 VAL 91 HG13 VAL 91 1.341 -23.885 14.977 771 HG21 VAL 91 HG21 VAL 91 1.829 -23.521 18.597 772 HG22 VAL 91 HG22 VAL 91 2.648 -22.535 17.391 773 HG23 VAL 91 HG23 VAL 91 2.443 -24.266 17.120 774 H LYS 92 HN LYS 92 -2.178 -22.701 18.347 775 HA LYS 92 HA LYS 92 -2.081 -21.725 20.982 776 HB2 LYS 92 HB2 LYS 92 -3.925 -23.325 21.455 777 HB3 LYS 92 HB1 LYS 92 -4.189 -22.335 20.026 778 HG2 LYS 92 HG2 LYS 92 -3.579 -24.172 18.592 779 HG3 LYS 92 HG1 LYS 92 -3.188 -25.173 19.989 780 HD2 LYS 92 HD2 LYS 92 -5.510 -25.112 20.700 781 HD3 LYS 92 HD1 LYS 92 -5.904 -24.025 19.368 782 HE2 LYS 92 HE2 LYS 92 -6.543 -26.339 18.871 783 HE3 LYS 92 HE1 LYS 92 -5.329 -25.736 17.756 784 HZ1 LYS 92 HZ1 LYS 92 -4.755 -27.469 20.099 785 HZ2 LYS 92 HZ2 LYS 92 -3.639 -27.006 18.917 786 HZ3 LYS 92 HZ3 LYS 92 -4.917 -27.999 18.527 787 H ARG 93 HN ARG 93 -0.654 -24.501 19.607 788 HA ARG 93 HA ARG 93 -0.238 -25.941 22.063 789 HB2 ARG 93 HB2 ARG 93 -0.367 -26.963 19.774 790 HB3 ARG 93 HB1 ARG 93 1.164 -26.201 19.406 791 HG2 ARG 93 HG2 ARG 93 2.206 -27.515 21.241 792 HG3 ARG 93 HG1 ARG 93 0.668 -28.360 21.449 793 HD2 ARG 93 HD2 ARG 93 2.165 -29.648 20.021 794 HD3 ARG 93 HD1 ARG 93 0.765 -29.079 19.104 795 HE ARG 93 HE ARG 93 3.407 -27.797 19.075 796 HH11 ARG 93 HH11 ARG 93 0.535 -28.924 17.285 797 HH12 ARG 93 HH12 ARG 93 0.949 -28.133 15.847 798 HH21 ARG 93 HH21 ARG 93 3.952 -26.706 17.158 799 HH22 ARG 93 HH22 ARG 93 2.993 -26.824 15.737 800 H ILE 94 HN ILE 94 1.135 -23.249 20.544 801 HA ILE 94 HA ILE 94 2.821 -21.878 20.869 802 HB ILE 94 HB ILE 94 3.506 -23.503 23.348 803 HG12 ILE 94 HG12 ILE 94 1.259 -22.529 23.500 804 HG13 ILE 94 HG11 ILE 94 2.356 -21.713 24.604 805 HG21 ILE 94 HG21 ILE 94 5.418 -22.195 22.596 806 HG22 ILE 94 HG22 ILE 94 4.754 -21.510 24.081 807 HG23 ILE 94 HG23 ILE 94 4.420 -20.741 22.531 808 HD11 ILE 94 HD11 ILE 94 2.552 -19.855 23.002 809 HD12 ILE 94 HD12 ILE 94 0.896 -20.114 23.537 810 HD13 ILE 94 HD13 ILE 94 1.398 -20.668 21.941 811 H LEU 95 HN LEU 95 4.074 -25.065 21.727 812 HA LEU 95 HA LEU 95 6.334 -24.574 19.941 813 HB2 LEU 95 HB2 LEU 95 6.824 -25.212 22.288 814 HB3 LEU 95 HB1 LEU 95 5.893 -26.678 22.074 815 HG LEU 95 HG LEU 95 7.550 -27.439 20.388 816 HD11 LEU 95 HD11 LEU 95 9.710 -26.309 20.250 817 HD12 LEU 95 HD12 LEU 95 9.087 -24.997 21.250 818 HD13 LEU 95 HD13 LEU 95 8.401 -25.291 19.653 819 HD21 LEU 95 HD21 LEU 95 7.711 -28.173 22.703 820 HD22 LEU 95 HD22 LEU 95 8.667 -26.747 23.100 821 HD23 LEU 95 HD23 LEU 95 9.317 -27.965 22.005 822 H LYS 47 H LYS 47 6.221 6.759 20.846 823 HA LYS 47 HA LYS 47 7.342 4.782 21.430 824 HB2 LYS 47 HB2 LYS 47 6.917 5.707 24.280 825 HB3 LYS 47 HB1 LYS 47 7.501 4.120 23.814 826 HG2 LYS 47 HG2 LYS 47 9.496 5.138 22.843 827 HG3 LYS 47 HG1 LYS 47 8.886 6.734 23.296 828 HD2 LYS 47 HD2 LYS 47 8.922 6.073 25.647 829 HD3 LYS 47 HD1 LYS 47 9.550 4.490 25.194 830 HE2 LYS 47 HE2 LYS 47 11.542 5.519 24.270 831 HE3 LYS 47 HE1 LYS 47 10.893 7.119 24.621 832 HZ1 LYS 47 HZ1 LYS 47 10.948 6.607 26.947 833 HZ2 LYS 47 HZ2 LYS 47 12.480 6.429 26.278 834 HZ3 LYS 47 HZ3 LYS 47 11.543 5.060 26.649 835 H GLN 48 HN GLN 48 5.537 3.982 20.418 836 HA GLN 48 HA GLN 48 3.521 2.897 22.135 837 HB2 GLN 48 HB2 GLN 48 1.618 3.777 20.854 838 HB3 GLN 48 HB1 GLN 48 2.496 5.068 21.649 839 HG2 GLN 48 HG2 GLN 48 3.404 5.851 19.628 840 HG3 GLN 48 HG1 GLN 48 3.001 4.358 18.781 841 HE21 GLN 48 HE21 GLN 48 1.913 5.550 17.177 842 HE22 GLN 48 HE22 GLN 48 0.351 6.220 17.474 843 H THR 49 HN THR 49 2.376 1.214 21.054 844 HA THR 49 HA THR 49 3.728 0.353 18.668 845 HB THR 49 HB THR 49 2.382 -1.792 19.117 846 HG1 THR 49 HG1 THR 49 0.891 -1.297 20.563 847 HG21 THR 49 HG21 THR 49 4.777 -1.611 19.607 848 HG22 THR 49 HG22 THR 49 3.963 -2.547 20.864 849 HG23 THR 49 HG23 THR 49 4.409 -0.864 21.160 850 H LEU 50 HN LEU 50 2.873 1.494 17.058 851 HA LEU 50 HA LEU 50 -0.017 1.720 16.735 852 HB2 LEU 50 HB2 LEU 50 1.596 3.597 16.347 853 HB3 LEU 50 HB1 LEU 50 2.195 2.713 14.960 854 HG LEU 50 HG LEU 50 0.112 2.952 13.808 855 HD11 LEU 50 HD11 LEU 50 -0.906 4.257 16.350 856 HD12 LEU 50 HD12 LEU 50 -1.458 2.711 15.690 857 HD13 LEU 50 HD13 LEU 50 -1.772 4.205 14.819 858 HD21 LEU 50 HD21 LEU 50 -0.012 5.371 13.670 859 HD22 LEU 50 HD22 LEU 50 1.670 4.787 13.756 860 HD23 LEU 50 HD23 LEU 50 0.873 5.446 15.199 861 H LEU 51 HN LEU 51 1.773 -0.637 16.582 862 HA LEU 51 HA LEU 51 0.690 -1.984 14.310 863 HB2 LEU 51 HB2 LEU 51 2.948 -2.897 13.813 864 HB3 LEU 51 HB1 LEU 51 2.851 -1.180 13.508 865 HG LEU 51 HG LEU 51 3.845 -1.083 15.978 866 HD11 LEU 51 HD11 LEU 51 5.531 -2.802 16.339 867 HD12 LEU 51 HD12 LEU 51 4.909 -3.700 14.954 868 HD13 LEU 51 HD13 LEU 51 3.895 -3.457 16.372 869 HD21 LEU 51 HD21 LEU 51 5.457 -1.569 13.488 870 HD22 LEU 51 HD22 LEU 51 6.069 -0.858 14.982 871 HD23 LEU 51 HD23 LEU 51 4.830 -0.020 14.051 872 H SER 52 HN SER 52 0.759 -4.281 14.833 873 HA SER 52 HA SER 52 1.732 -5.143 17.343 874 HB2 SER 52 HB2 SER 52 -0.259 -3.850 18.146 875 HB3 SER 52 HB1 SER 52 -1.287 -4.880 17.171 876 HG SER 52 HG SER 52 -0.464 -6.709 18.491 877 H ASP 53 HN ASP 53 -1.302 -6.248 15.913 878 HA ASP 53 HA ASP 53 0.161 -8.637 15.219 879 HB2 ASP 53 HB2 ASP 53 -2.449 -8.301 16.614 880 HB3 ASP 53 HB1 ASP 53 -2.008 -9.792 15.791 881 H GLU 54 HN GLU 54 -1.908 -6.195 14.026 882 HA GLU 54 HA GLU 54 -3.112 -7.808 11.980 883 HB2 GLU 54 HB2 GLU 54 -3.631 -5.753 10.769 884 HB3 GLU 54 HB1 GLU 54 -3.906 -5.446 12.473 885 HG2 GLU 54 HG2 GLU 54 -1.812 -4.233 12.609 886 HG3 GLU 54 HG1 GLU 54 -1.455 -4.621 10.929 887 H ASP 55 HN ASP 55 -0.215 -6.130 12.441 888 HA ASP 55 HA ASP 55 1.040 -6.157 9.989 889 HB2 ASP 55 HB2 ASP 55 2.345 -6.414 12.694 890 HB3 ASP 55 HB1 ASP 55 2.991 -5.646 11.242 891 H ALA 56 HN ALA 56 0.514 -8.615 12.349 892 HA ALA 56 HA ALA 56 2.591 -10.400 11.607 893 HB1 ALA 56 HB1 ALA 56 -0.043 -10.949 12.963 894 HB2 ALA 56 HB2 ALA 56 1.470 -10.528 13.772 895 HB3 ALA 56 HB3 ALA 56 1.333 -12.052 12.893 896 H GLU 57 HN GLU 57 -0.696 -9.827 10.532 897 HA GLU 57 HA GLU 57 -0.741 -12.179 8.866 898 HB2 GLU 57 HB2 GLU 57 -2.810 -11.228 9.971 899 HB3 GLU 57 HB1 GLU 57 -2.662 -9.820 8.936 900 HG2 GLU 57 HG2 GLU 57 -2.931 -11.271 6.957 901 HG3 GLU 57 HG1 GLU 57 -3.126 -12.649 8.031 902 H LEU 58 HN LEU 58 -0.369 -8.717 8.617 903 HA LEU 58 HA LEU 58 -0.228 -8.526 5.836 904 HB2 LEU 58 HB2 LEU 58 0.780 -6.730 8.001 905 HB3 LEU 58 HB1 LEU 58 1.209 -6.417 6.345 906 HG LEU 58 HG LEU 58 -1.160 -6.157 5.747 907 HD11 LEU 58 HD11 LEU 58 -2.204 -7.610 7.338 908 HD12 LEU 58 HD12 LEU 58 -2.884 -5.984 7.425 909 HD13 LEU 58 HD13 LEU 58 -1.743 -6.531 8.654 910 HD21 LEU 58 HD21 LEU 58 -1.577 -4.053 6.909 911 HD22 LEU 58 HD22 LEU 58 0.097 -4.196 6.380 912 HD23 LEU 58 HD23 LEU 58 -0.316 -4.455 8.075 913 H VAL 59 HN VAL 59 2.352 -9.350 8.111 914 HA VAL 59 HA VAL 59 4.374 -9.077 6.109 915 HB VAL 59 HB VAL 59 5.964 -10.115 7.578 916 HG11 VAL 59 HG11 VAL 59 5.871 -8.681 9.517 917 HG12 VAL 59 HG12 VAL 59 4.218 -8.238 9.082 918 HG13 VAL 59 HG13 VAL 59 5.554 -7.846 7.996 919 HG21 VAL 59 HG21 VAL 59 5.339 -11.021 9.798 920 HG22 VAL 59 HG22 VAL 59 4.714 -11.958 8.443 921 HG23 VAL 59 HG23 VAL 59 3.632 -10.882 9.340 922 H GLU 60 HN GLU 60 2.303 -11.752 7.017 923 HA GLU 60 HA GLU 60 3.892 -13.486 5.416 924 HB2 GLU 60 HB2 GLU 60 2.121 -15.195 5.757 925 HB3 GLU 60 HB1 GLU 60 2.784 -14.554 7.243 926 HG2 GLU 60 HG2 GLU 60 0.832 -13.220 7.598 927 HG3 GLU 60 HG1 GLU 60 0.187 -13.679 6.020 928 H ILE 61 HN ILE 61 0.971 -11.640 5.052 929 HA ILE 61 HA ILE 61 0.167 -12.513 2.526 930 HB ILE 61 HB ILE 61 -0.148 -9.869 3.949 931 HG12 ILE 61 HG12 ILE 61 -2.109 -12.092 3.352 932 HG13 ILE 61 HG11 ILE 61 -1.324 -11.798 4.898 933 HG21 ILE 61 HG21 ILE 61 -1.417 -10.638 1.331 934 HG22 ILE 61 HG22 ILE 61 -0.218 -9.368 1.579 935 HG23 ILE 61 HG23 ILE 61 -1.828 -9.218 2.295 936 HD11 ILE 61 HD11 ILE 61 -3.256 -9.948 3.516 937 HD12 ILE 61 HD12 ILE 61 -2.481 -9.652 5.072 938 HD13 ILE 61 HD13 ILE 61 -3.613 -10.994 4.888 939 H VAL 62 HN VAL 62 2.465 -9.983 3.460 940 HA VAL 62 HA VAL 62 2.879 -9.189 0.796 941 HB VAL 62 HB VAL 62 3.347 -7.574 2.613 942 HG11 VAL 62 HG11 VAL 62 5.290 -7.727 4.016 943 HG12 VAL 62 HG12 VAL 62 5.713 -9.277 3.273 944 HG13 VAL 62 HG13 VAL 62 4.234 -9.136 4.220 945 HG21 VAL 62 HG21 VAL 62 4.481 -7.280 0.444 946 HG22 VAL 62 HG22 VAL 62 5.849 -8.195 1.070 947 HG23 VAL 62 HG23 VAL 62 5.424 -6.643 1.794 948 H LYS 63 HN LYS 63 4.640 -11.428 2.878 949 HA LYS 63 HA LYS 63 6.696 -11.871 0.944 950 HB2 LYS 63 HB2 LYS 63 7.425 -13.728 2.302 951 HB3 LYS 63 HB1 LYS 63 7.031 -12.368 3.340 952 HG2 LYS 63 HG2 LYS 63 4.858 -13.420 3.800 953 HG3 LYS 63 HG1 LYS 63 5.375 -14.823 2.880 954 HD2 LYS 63 HD2 LYS 63 6.694 -13.752 5.382 955 HD3 LYS 63 HD1 LYS 63 5.735 -15.214 5.263 956 HE2 LYS 63 HE2 LYS 63 7.361 -16.118 3.592 957 HE3 LYS 63 HE1 LYS 63 8.345 -14.696 3.842 958 HZ1 LYS 63 HZ1 LYS 63 8.704 -15.303 6.129 959 HZ2 LYS 63 HZ2 LYS 63 9.146 -16.564 5.114 960 HZ3 LYS 63 HZ3 LYS 63 7.713 -16.667 5.972 961 H GLU 64 HN GLU 64 3.547 -13.213 1.433 962 HA GLU 64 HA GLU 64 3.639 -15.433 -0.267 963 HB2 GLU 64 HB2 GLU 64 1.752 -15.104 1.175 964 HB3 GLU 64 HB1 GLU 64 1.425 -13.527 0.476 965 HG2 GLU 64 HG2 GLU 64 0.892 -14.619 -1.659 966 HG3 GLU 64 HG1 GLU 64 1.116 -16.182 -0.901 967 H ARG 65 HN ARG 65 2.892 -12.062 -0.858 968 HA ARG 65 HA ARG 65 2.475 -12.653 -3.663 969 HB2 ARG 65 HB2 ARG 65 1.924 -10.250 -1.959 970 HB3 ARG 65 HB1 ARG 65 1.466 -10.340 -3.687 971 HG2 ARG 65 HG2 ARG 65 0.021 -12.184 -3.219 972 HG3 ARG 65 HG1 ARG 65 0.653 -12.334 -1.592 973 HD2 ARG 65 HD2 ARG 65 -0.354 -10.020 -1.179 974 HD3 ARG 65 HD1 ARG 65 -1.234 -10.272 -2.699 975 HE ARG 65 HE ARG 65 -1.444 -12.579 -1.131 976 HH11 ARG 65 HH11 ARG 65 -2.890 -9.297 -1.070 977 HH12 ARG 65 HH12 ARG 65 -4.201 -9.860 -0.141 978 HH21 ARG 65 HH21 ARG 65 -3.167 -13.176 0.133 979 HH22 ARG 65 HH22 ARG 65 -4.389 -12.043 0.547 980 H LEU 66 HN LEU 66 4.954 -11.647 -1.715 981 HA LEU 66 HA LEU 66 6.386 -9.834 -3.414 982 HB2 LEU 66 HB2 LEU 66 6.601 -10.561 -0.835 983 HB3 LEU 66 HB1 LEU 66 7.763 -11.680 -1.494 984 HG LEU 66 HG LEU 66 8.955 -9.854 -0.615 985 HD11 LEU 66 HD11 LEU 66 8.892 -9.464 -3.577 986 HD12 LEU 66 HD12 LEU 66 9.897 -10.591 -2.664 987 HD13 LEU 66 HD13 LEU 66 10.131 -8.853 -2.475 988 HD21 LEU 66 HD21 LEU 66 7.093 -8.037 -2.120 989 HD22 LEU 66 HD22 LEU 66 8.559 -7.512 -1.286 990 HD23 LEU 66 HD23 LEU 66 7.246 -8.248 -0.370 991 H ARG 67 HN ARG 67 5.988 -13.261 -3.169 992 HA ARG 67 HA ARG 67 8.405 -13.965 -4.579 993 HB2 ARG 67 HB2 ARG 67 7.682 -16.267 -4.402 994 HB3 ARG 67 HB1 ARG 67 7.482 -15.454 -2.854 995 HG2 ARG 67 HG2 ARG 67 5.089 -15.161 -3.370 996 HG3 ARG 67 HG1 ARG 67 5.325 -16.093 -4.846 997 HD2 ARG 67 HD2 ARG 67 5.879 -17.085 -2.063 998 HD3 ARG 67 HD1 ARG 67 4.405 -17.421 -2.970 999 HE ARG 67 HE ARG 67 6.493 -18.221 -4.562 1000 HH11 ARG 67 HH11 ARG 67 5.389 -19.035 -1.282 1001 HH12 ARG 67 HH12 ARG 67 5.812 -20.681 -1.409 1002 HH21 ARG 67 HH21 ARG 67 7.087 -20.486 -4.701 1003 HH22 ARG 67 HH22 ARG 67 6.801 -21.519 -3.374 1004 H ASN 68 HN ASN 68 5.401 -12.851 -5.596 1005 HA ASN 68 HA ASN 68 6.109 -13.072 -8.294 1006 HB2 ASN 68 HB2 ASN 68 5.305 -15.425 -8.071 1007 HB3 ASN 68 HB1 ASN 68 3.747 -14.834 -7.512 1008 HD21 ASN 68 HD21 ASN 68 2.324 -13.955 -9.007 1009 HD22 ASN 68 HD22 ASN 68 2.538 -14.110 -10.719 1010 HA PRO 69 HA PRO 69 3.082 -9.854 -7.342 1011 HB2 PRO 69 HB2 PRO 69 4.967 -7.814 -7.787 1012 HB3 PRO 69 HB1 PRO 69 4.409 -8.410 -6.218 1013 HG2 PRO 69 HG2 PRO 69 7.007 -8.652 -7.266 1014 HG3 PRO 69 HG1 PRO 69 6.358 -9.540 -5.880 1015 HD2 PRO 69 HD2 PRO 69 6.642 -10.402 -8.720 1016 HD3 PRO 69 HD1 PRO 69 6.802 -11.354 -7.224 1017 H LYS 70 HN LYS 70 5.677 -8.980 -9.651 1018 HA LYS 70 HA LYS 70 5.718 -8.103 -11.658 1019 HB2 LYS 70 HB2 LYS 70 3.061 -9.510 -11.985 1020 HB3 LYS 70 HB1 LYS 70 3.665 -8.448 -13.241 1021 HG2 LYS 70 HG2 LYS 70 4.151 -10.795 -13.734 1022 HG3 LYS 70 HG1 LYS 70 5.622 -9.857 -13.532 1023 HD2 LYS 70 HD2 LYS 70 5.818 -10.730 -11.226 1024 HD3 LYS 70 HD1 LYS 70 4.382 -11.713 -11.505 1025 HE2 LYS 70 HE2 LYS 70 6.464 -12.980 -11.793 1026 HE3 LYS 70 HE1 LYS 70 5.505 -12.919 -13.268 1027 HZ1 LYS 70 HZ1 LYS 70 7.879 -11.210 -12.694 1028 HZ2 LYS 70 HZ2 LYS 70 6.995 -11.229 -14.138 1029 HZ3 LYS 70 HZ3 LYS 70 7.864 -12.578 -13.666 1030 HA PRO 71 HA PRO 71 3.653 -4.450 -10.156 1031 HB2 PRO 71 HB2 PRO 71 5.807 -2.860 -10.161 1032 HB3 PRO 71 HB1 PRO 71 5.486 -4.020 -8.868 1033 HG2 PRO 71 HG2 PRO 71 7.421 -4.188 -11.125 1034 HG3 PRO 71 HG1 PRO 71 7.570 -4.793 -9.464 1035 HD2 PRO 71 HD2 PRO 71 6.899 -6.345 -11.695 1036 HD3 PRO 71 HD1 PRO 71 6.633 -6.780 -10.001 1037 H VAL 72 HN VAL 72 2.598 -3.195 -11.383 1038 HA VAL 72 HA VAL 72 3.504 -2.401 -14.044 1039 HB VAL 72 HB VAL 72 0.811 -2.028 -12.673 1040 HG11 VAL 72 HG11 VAL 72 1.555 -1.748 -15.580 1041 HG12 VAL 72 HG12 VAL 72 1.197 -0.433 -14.464 1042 HG13 VAL 72 HG13 VAL 72 -0.067 -1.582 -14.906 1043 HG21 VAL 72 HG21 VAL 72 1.230 -4.402 -12.931 1044 HG22 VAL 72 HG22 VAL 72 1.631 -4.171 -14.633 1045 HG23 VAL 72 HG23 VAL 72 -0.015 -3.885 -14.072 1046 H ARG 73 HN ARG 73 4.323 -0.338 -14.194 1047 HA ARG 73 HA ARG 73 4.243 1.291 -11.814 1048 HB2 ARG 73 HB2 ARG 73 6.329 1.034 -13.288 1049 HB3 ARG 73 HB1 ARG 73 5.494 2.012 -14.482 1050 HG2 ARG 73 HG2 ARG 73 6.045 2.987 -11.680 1051 HG3 ARG 73 HG1 ARG 73 7.188 3.215 -12.987 1052 HD2 ARG 73 HD2 ARG 73 4.346 4.227 -12.958 1053 HD3 ARG 73 HD1 ARG 73 5.758 5.191 -12.545 1054 HE ARG 73 HE ARG 73 6.490 4.547 -14.913 1055 HH11 ARG 73 HH11 ARG 73 3.126 5.136 -14.002 1056 HH12 ARG 73 HH12 ARG 73 2.691 5.795 -15.518 1057 HH21 ARG 73 HH21 ARG 73 5.882 5.554 -16.990 1058 HH22 ARG 73 HH22 ARG 73 4.272 6.062 -17.206 1059 H VAL 74 HN VAL 74 2.750 2.636 -11.458 1060 HA VAL 74 HA VAL 74 1.186 3.671 -13.691 1061 HB VAL 74 HB VAL 74 -0.848 3.582 -12.200 1062 HG11 VAL 74 HG11 VAL 74 -0.512 1.915 -13.933 1063 HG12 VAL 74 HG12 VAL 74 -1.272 1.193 -12.513 1064 HG13 VAL 74 HG13 VAL 74 0.446 0.932 -12.823 1065 HG21 VAL 74 HG21 VAL 74 0.922 1.831 -10.497 1066 HG22 VAL 74 HG22 VAL 74 -0.816 2.048 -10.293 1067 HG23 VAL 74 HG23 VAL 74 0.280 3.412 -10.054 1068 H THR 75 HN THR 75 -0.377 5.355 -12.585 1069 HA THR 75 HA THR 75 1.133 7.189 -10.900 1070 HB THR 75 HB THR 75 0.109 9.049 -12.316 1071 HG1 THR 75 HG1 THR 75 -0.401 6.864 -14.097 1072 HG21 THR 75 HG21 THR 75 2.486 8.476 -12.559 1073 HG22 THR 75 HG22 THR 75 1.792 8.927 -14.117 1074 HG23 THR 75 HG23 THR 75 2.066 7.228 -13.732 1075 H LEU 76 HN LEU 76 -0.484 8.819 -9.939 1076 HA LEU 76 HA LEU 76 -2.738 7.344 -8.928 1077 HB2 LEU 76 HB2 LEU 76 -1.849 10.178 -8.502 1078 HB3 LEU 76 HB1 LEU 76 -3.170 9.408 -7.643 1079 HG LEU 76 HG LEU 76 -0.351 8.425 -7.590 1080 HD11 LEU 76 HD11 LEU 76 -0.510 10.681 -6.616 1081 HD12 LEU 76 HD12 LEU 76 -0.247 9.464 -5.362 1082 HD13 LEU 76 HD13 LEU 76 -1.856 10.143 -5.608 1083 HD21 LEU 76 HD21 LEU 76 -1.095 7.211 -5.613 1084 HD22 LEU 76 HD22 LEU 76 -2.005 6.746 -7.040 1085 HD23 LEU 76 HD23 LEU 76 -2.731 7.825 -5.840 1086 H ASP 77 HN ASP 77 -2.094 9.778 -11.228 1087 HA ASP 77 HA ASP 77 -4.659 10.843 -11.564 1088 HB2 ASP 77 HB2 ASP 77 -2.576 11.869 -12.441 1089 HB3 ASP 77 HB1 ASP 77 -2.480 10.588 -13.641 1090 H GLU 78 HN GLU 78 -3.195 7.910 -12.789 1091 HA GLU 78 HA GLU 78 -5.398 7.527 -14.639 1092 HB2 GLU 78 HB2 GLU 78 -4.206 5.586 -15.442 1093 HB3 GLU 78 HB1 GLU 78 -3.137 6.978 -15.387 1094 HG2 GLU 78 HG2 GLU 78 -2.209 6.146 -13.281 1095 HG3 GLU 78 HG1 GLU 78 -3.221 4.717 -13.393 1096 H LEU 79 HN LEU 79 -4.781 6.765 -11.382 1097 HA LEU 79 HA LEU 79 -6.031 4.198 -11.320 1098 HB2 LEU 79 HB2 LEU 79 -5.761 6.193 -9.085 1099 HB3 LEU 79 HB1 LEU 79 -6.175 4.506 -8.905 1100 HG LEU 79 HG LEU 79 -3.522 5.664 -9.718 1101 HD11 LEU 79 HD11 LEU 79 -4.422 4.084 -7.324 1102 HD12 LEU 79 HD12 LEU 79 -4.008 5.797 -7.362 1103 HD13 LEU 79 HD13 LEU 79 -2.766 4.579 -7.661 1104 HD21 LEU 79 HD21 LEU 79 -3.911 3.634 -11.003 1105 HD22 LEU 79 HD22 LEU 79 -4.342 2.766 -9.531 1106 HD23 LEU 79 HD23 LEU 79 -2.692 3.356 -9.759 Start of MODEL 7 1 H MET 1 H MET 1 7.382 15.562 -3.616 2 HA MET 1 HA MET 1 6.180 13.596 -3.950 3 HB2 MET 1 HB2 MET 1 4.472 14.535 -5.471 4 HB3 MET 1 HB1 MET 1 5.674 14.664 -6.746 5 HG2 MET 1 HG2 MET 1 5.891 12.225 -6.774 6 HG3 MET 1 HG1 MET 1 4.690 12.116 -5.487 7 HE1 MET 1 HE1 MET 1 1.436 13.412 -7.274 8 HE2 MET 1 HE2 MET 1 2.575 14.406 -6.376 9 HE3 MET 1 HE3 MET 1 2.134 12.810 -5.768 10 H ALA 2 HN ALA 2 7.991 12.455 -3.740 11 HA ALA 2 HA ALA 2 10.113 12.819 -5.714 12 HB1 ALA 2 HB1 ALA 2 10.204 11.516 -3.002 13 HB2 ALA 2 HB2 ALA 2 10.680 13.172 -3.359 14 HB3 ALA 2 HB3 ALA 2 11.581 11.828 -4.058 15 H TYR 3 HN TYR 3 7.876 10.467 -4.450 16 HA TYR 3 HA TYR 3 9.301 8.335 -5.858 17 HB2 TYR 3 HB2 TYR 3 7.303 8.286 -3.615 18 HB3 TYR 3 HB1 TYR 3 7.669 6.840 -4.549 19 HD1 TYR 3 HD2 TYR 3 9.376 9.530 -2.569 20 HD2 TYR 3 HD1 TYR 3 9.421 5.480 -3.859 21 HE1 TYR 3 HE2 TYR 3 11.361 9.106 -1.170 22 HE2 TYR 3 HE1 TYR 3 11.393 5.047 -2.471 23 HH TYR 3 HH TYR 3 12.514 7.264 -0.127 24 H PHE 4 HN PHE 4 8.350 6.978 -7.284 25 HA PHE 4 HA PHE 4 5.981 7.989 -8.652 26 HB2 PHE 4 HB2 PHE 4 7.607 5.481 -9.231 27 HB3 PHE 4 HB1 PHE 4 6.384 6.183 -10.277 28 HD1 PHE 4 HD1 PHE 4 6.875 8.580 -11.155 29 HD2 PHE 4 HD2 PHE 4 9.812 6.005 -9.478 30 HE1 PHE 4 HE1 PHE 4 8.650 9.863 -12.287 31 HE2 PHE 4 HE2 PHE 4 11.581 7.273 -10.586 32 HZ PHE 4 HZ PHE 4 11.019 9.200 -11.993 33 H LEU 5 HN LEU 5 4.336 5.975 -9.325 34 HA LEU 5 HA LEU 5 3.730 4.674 -6.773 35 HB2 LEU 5 HB2 LEU 5 2.137 6.434 -7.416 36 HB3 LEU 5 HB1 LEU 5 1.912 5.664 -8.964 37 HG LEU 5 HG LEU 5 0.845 3.756 -7.888 38 HD11 LEU 5 HD11 LEU 5 2.003 3.836 -5.727 39 HD12 LEU 5 HD12 LEU 5 0.256 3.854 -5.510 40 HD13 LEU 5 HD13 LEU 5 1.180 5.349 -5.335 41 HD21 LEU 5 HD21 LEU 5 -1.201 4.958 -7.179 42 HD22 LEU 5 HD22 LEU 5 -0.518 5.610 -8.666 43 HD23 LEU 5 HD23 LEU 5 -0.271 6.450 -7.144 44 H ASP 6 HN ASP 6 3.217 2.465 -6.842 45 HA ASP 6 HA ASP 6 3.119 1.110 -9.449 46 HB2 ASP 6 HB2 ASP 6 5.413 1.082 -7.764 47 HB3 ASP 6 HB1 ASP 6 4.639 -0.481 -7.605 48 H PHE 7 HN PHE 7 2.110 -0.913 -9.306 49 HA PHE 7 HA PHE 7 1.000 -1.768 -6.722 50 HB2 PHE 7 HB2 PHE 7 -0.625 -0.946 -9.082 51 HB3 PHE 7 HB1 PHE 7 -1.241 -2.210 -8.045 52 HD1 PHE 7 HD2 PHE 7 -0.509 1.338 -8.390 53 HD2 PHE 7 HD1 PHE 7 -1.961 -1.685 -5.786 54 HE1 PHE 7 HE2 PHE 7 -1.506 3.059 -6.951 55 HE2 PHE 7 HE1 PHE 7 -2.971 0.041 -4.343 56 HZ PHE 7 HZ PHE 7 -2.740 2.413 -4.929 57 H ASP 8 HN ASP 8 0.792 -3.886 -6.509 58 HA ASP 8 HA ASP 8 1.669 -5.814 -8.397 59 HB2 ASP 8 HB2 ASP 8 1.725 -6.445 -6.095 60 HB3 ASP 8 HB1 ASP 8 0.079 -5.913 -5.820 61 H GLU 9 HN GLU 9 0.429 -7.194 -9.781 62 HA GLU 9 HA GLU 9 -1.716 -5.994 -11.077 63 HB2 GLU 9 HB2 GLU 9 -0.814 -8.854 -11.184 64 HB3 GLU 9 HB1 GLU 9 -2.145 -8.250 -12.149 65 HG2 GLU 9 HG2 GLU 9 -0.457 -6.508 -13.002 66 HG3 GLU 9 HG1 GLU 9 0.764 -7.585 -12.322 67 H ARG 10 HN ARG 10 -1.848 -8.107 -8.337 68 HA ARG 10 HA ARG 10 -4.654 -8.695 -8.746 69 HB2 ARG 10 HB2 ARG 10 -2.843 -9.289 -6.410 70 HB3 ARG 10 HB1 ARG 10 -4.419 -10.008 -6.726 71 HG2 ARG 10 HG2 ARG 10 -3.607 -11.180 -8.615 72 HG3 ARG 10 HG1 ARG 10 -2.095 -10.274 -8.607 73 HD2 ARG 10 HD2 ARG 10 -1.723 -12.465 -7.697 74 HD3 ARG 10 HD1 ARG 10 -1.561 -11.246 -6.433 75 HE ARG 10 HE ARG 10 -4.181 -12.212 -6.479 76 HH11 ARG 10 HH11 ARG 10 -0.912 -13.159 -5.528 77 HH12 ARG 10 HH12 ARG 10 -1.407 -14.291 -4.367 78 HH21 ARG 10 HH21 ARG 10 -4.896 -13.706 -4.890 79 HH22 ARG 10 HH22 ARG 10 -3.757 -14.629 -3.990 80 H ALA 11 HN ALA 11 -2.517 -6.773 -6.801 81 HA ALA 11 HA ALA 11 -4.342 -5.651 -4.983 82 HB1 ALA 11 HB1 ALA 11 -1.915 -5.433 -4.714 83 HB2 ALA 11 HB2 ALA 11 -2.692 -3.850 -4.678 84 HB3 ALA 11 HB3 ALA 11 -1.846 -4.385 -6.128 85 H LEU 12 HN LEU 12 -3.575 -4.862 -8.267 86 HA LEU 12 HA LEU 12 -4.887 -2.424 -8.665 87 HB2 LEU 12 HB2 LEU 12 -4.840 -4.823 -10.472 88 HB3 LEU 12 HB1 LEU 12 -5.290 -3.209 -10.998 89 HG LEU 12 HG LEU 12 -2.548 -4.140 -10.111 90 HD11 LEU 12 HD11 LEU 12 -3.276 -5.082 -12.257 91 HD12 LEU 12 HD12 LEU 12 -1.962 -3.927 -12.460 92 HD13 LEU 12 HD13 LEU 12 -3.620 -3.456 -12.845 93 HD21 LEU 12 HD21 LEU 12 -1.770 -1.997 -10.968 94 HD22 LEU 12 HD22 LEU 12 -2.911 -1.773 -9.642 95 HD23 LEU 12 HD23 LEU 12 -3.434 -1.526 -11.310 96 H LYS 13 HN LYS 13 -6.141 -5.682 -8.693 97 HA LYS 13 HA LYS 13 -8.809 -4.934 -9.472 98 HB2 LYS 13 HB2 LYS 13 -7.976 -7.557 -8.255 99 HB3 LYS 13 HB1 LYS 13 -9.301 -7.246 -9.370 100 HG2 LYS 13 HG2 LYS 13 -6.363 -7.112 -10.002 101 HG3 LYS 13 HG1 LYS 13 -7.482 -8.371 -10.506 102 HD2 LYS 13 HD2 LYS 13 -8.675 -6.832 -11.910 103 HD3 LYS 13 HD1 LYS 13 -7.762 -5.464 -11.264 104 HE2 LYS 13 HE2 LYS 13 -6.889 -6.116 -13.434 105 HE3 LYS 13 HE1 LYS 13 -5.723 -6.392 -12.137 106 HZ1 LYS 13 HZ1 LYS 13 -7.454 -8.516 -13.316 107 HZ2 LYS 13 HZ2 LYS 13 -6.270 -8.722 -12.138 108 HZ3 LYS 13 HZ3 LYS 13 -5.828 -8.270 -13.683 109 H GLU 14 HN GLU 14 -7.054 -5.474 -6.587 110 HA GLU 14 HA GLU 14 -9.142 -5.905 -4.817 111 HB2 GLU 14 HB2 GLU 14 -6.424 -4.755 -4.452 112 HB3 GLU 14 HB1 GLU 14 -7.492 -5.109 -3.089 113 HG2 GLU 14 HG2 GLU 14 -7.579 -7.489 -3.978 114 HG3 GLU 14 HG1 GLU 14 -6.310 -7.031 -5.099 115 H TRP 15 HN TRP 15 -7.622 -2.858 -5.840 116 HA TRP 15 HA TRP 15 -9.377 -1.414 -4.122 117 HB2 TRP 15 HB2 TRP 15 -8.531 0.647 -4.922 118 HB3 TRP 15 HB1 TRP 15 -7.173 -0.448 -4.984 119 HD1 TRP 15 HD1 TRP 15 -9.836 0.888 -7.569 120 HE1 TRP 15 HE1 TRP 15 -8.580 1.467 -9.732 121 HE3 TRP 15 HE3 TRP 15 -5.138 -0.630 -6.271 122 HZ2 TRP 15 HZ2 TRP 15 -6.052 1.276 -10.773 123 HZ3 TRP 15 HZ3 TRP 15 -3.369 -0.390 -7.945 124 HH2 TRP 15 HH2 TRP 15 -3.813 0.540 -10.143 125 H ARG 16 HN ARG 16 -9.696 -2.662 -7.259 126 HA ARG 16 HA ARG 16 -11.796 -0.941 -8.173 127 HB2 ARG 16 HB2 ARG 16 -11.404 -3.801 -9.050 128 HB3 ARG 16 HB1 ARG 16 -12.196 -2.504 -9.928 129 HG2 ARG 16 HG2 ARG 16 -9.254 -2.676 -9.323 130 HG3 ARG 16 HG1 ARG 16 -10.011 -3.058 -10.854 131 HD2 ARG 16 HD2 ARG 16 -10.055 -0.380 -9.532 132 HD3 ARG 16 HD1 ARG 16 -8.923 -0.864 -10.782 133 HE ARG 16 HE ARG 16 -11.834 -0.712 -11.205 134 HH11 ARG 16 HH11 ARG 16 -8.536 -0.262 -12.406 135 HH12 ARG 16 HH12 ARG 16 -8.997 0.745 -13.706 136 HH21 ARG 16 HH21 ARG 16 -12.455 0.591 -13.037 137 HH22 ARG 16 HH22 ARG 16 -11.274 1.237 -14.082 138 H LYS 17 HN LYS 17 -11.728 -4.010 -6.457 139 HA LYS 17 HA LYS 17 -14.571 -4.265 -6.594 140 HB2 LYS 17 HB2 LYS 17 -14.268 -6.373 -5.287 141 HB3 LYS 17 HB1 LYS 17 -13.400 -6.305 -6.803 142 HG2 LYS 17 HG2 LYS 17 -11.900 -7.315 -5.297 143 HG3 LYS 17 HG1 LYS 17 -11.366 -5.648 -5.454 144 HD2 LYS 17 HD2 LYS 17 -11.228 -6.325 -3.135 145 HD3 LYS 17 HD1 LYS 17 -12.471 -5.096 -3.323 146 HE2 LYS 17 HE2 LYS 17 -14.208 -6.799 -3.240 147 HE3 LYS 17 HE1 LYS 17 -12.984 -8.071 -3.165 148 HZ1 LYS 17 HZ1 LYS 17 -12.225 -7.121 -1.075 149 HZ2 LYS 17 HZ2 LYS 17 -13.798 -7.646 -0.971 150 HZ3 LYS 17 HZ3 LYS 17 -13.472 -5.988 -1.084 151 H LEU 18 HN LEU 18 -12.691 -2.494 -4.579 152 HA LEU 18 HA LEU 18 -14.675 -2.772 -2.463 153 HB2 LEU 18 HB2 LEU 18 -13.092 -1.466 -1.000 154 HB3 LEU 18 HB1 LEU 18 -12.534 -3.046 -1.490 155 HG LEU 18 HG LEU 18 -11.180 -1.823 -3.272 156 HD11 LEU 18 HD11 LEU 18 -10.535 0.462 -2.783 157 HD12 LEU 18 HD12 LEU 18 -11.710 0.516 -1.471 158 HD13 LEU 18 HD13 LEU 18 -12.259 0.345 -3.142 159 HD21 LEU 18 HD21 LEU 18 -10.507 -1.495 -0.359 160 HD22 LEU 18 HD22 LEU 18 -9.382 -1.330 -1.713 161 HD23 LEU 18 HD23 LEU 18 -10.150 -2.884 -1.399 162 H GLY 19 HN GLY 19 -15.016 -0.543 -1.240 163 HA2 GLY 19 HA2 GLY 19 -16.691 0.917 -2.893 164 HA3 GLY 19 HA1 GLY 19 -16.127 1.424 -1.312 165 H SER 20 HN SER 20 -16.612 2.752 -4.006 166 HA SER 20 HA SER 20 -14.264 3.617 -5.153 167 HB2 SER 20 HB2 SER 20 -16.885 5.090 -4.860 168 HB3 SER 20 HB1 SER 20 -15.640 5.410 -6.071 169 HG SER 20 HG SER 20 -16.047 3.549 -7.039 170 H THR 21 HN THR 21 -16.070 4.985 -2.397 171 HA THR 21 HA THR 21 -14.433 7.272 -2.136 172 HB THR 21 HB THR 21 -16.136 5.953 0.002 173 HG1 THR 21 HG1 THR 21 -16.751 7.347 -2.328 174 HG21 THR 21 HG21 THR 21 -14.662 7.771 0.808 175 HG22 THR 21 HG22 THR 21 -16.355 8.254 0.861 176 HG23 THR 21 HG23 THR 21 -15.315 8.842 -0.434 177 H VAL 22 HN VAL 22 -14.221 3.999 -1.021 178 HA VAL 22 HA VAL 22 -12.268 4.437 0.991 179 HB VAL 22 HB VAL 22 -12.917 1.895 -0.538 180 HG11 VAL 22 HG11 VAL 22 -11.301 2.251 1.993 181 HG12 VAL 22 HG12 VAL 22 -10.662 1.793 0.416 182 HG13 VAL 22 HG13 VAL 22 -11.756 0.705 1.274 183 HG21 VAL 22 HG21 VAL 22 -14.114 1.240 1.504 184 HG22 VAL 22 HG22 VAL 22 -14.807 2.694 0.781 185 HG23 VAL 22 HG23 VAL 22 -13.767 2.817 2.206 186 H ARG 23 HN ARG 23 -12.088 3.498 -2.444 187 HA ARG 23 HA ARG 23 -9.257 3.235 -2.383 188 HB2 ARG 23 HB2 ARG 23 -9.280 2.857 -4.702 189 HB3 ARG 23 HB1 ARG 23 -10.860 2.281 -4.202 190 HG2 ARG 23 HG2 ARG 23 -11.927 4.229 -5.036 191 HG3 ARG 23 HG1 ARG 23 -10.386 5.041 -5.281 192 HD2 ARG 23 HD2 ARG 23 -9.883 3.073 -6.876 193 HD3 ARG 23 HD1 ARG 23 -11.633 2.833 -6.871 194 HE ARG 23 HE ARG 23 -10.901 5.535 -7.278 195 HH11 ARG 23 HH11 ARG 23 -11.619 2.503 -9.003 196 HH12 ARG 23 HH12 ARG 23 -11.561 3.241 -10.535 197 HH21 ARG 23 HH21 ARG 23 -10.810 6.466 -9.387 198 HH22 ARG 23 HH22 ARG 23 -11.042 5.495 -10.764 199 H GLU 24 HN GLU 24 -11.407 5.922 -2.984 200 HA GLU 24 HA GLU 24 -9.420 7.621 -4.039 201 HB2 GLU 24 HB2 GLU 24 -12.056 8.315 -2.753 202 HB3 GLU 24 HB1 GLU 24 -11.032 9.457 -3.611 203 HG2 GLU 24 HG2 GLU 24 -12.318 7.006 -4.811 204 HG3 GLU 24 HG1 GLU 24 -12.899 8.650 -5.005 205 H GLN 25 HN GLN 25 -10.541 7.016 -0.752 206 HA GLN 25 HA GLN 25 -9.004 9.029 0.497 207 HB2 GLN 25 HB2 GLN 25 -9.854 6.323 1.506 208 HB3 GLN 25 HB1 GLN 25 -9.119 7.563 2.505 209 HG2 GLN 25 HG2 GLN 25 -11.004 9.023 2.111 210 HG3 GLN 25 HG1 GLN 25 -11.717 7.822 1.035 211 HE21 GLN 25 HE21 GLN 25 -12.577 6.021 1.845 212 HE22 GLN 25 HE22 GLN 25 -12.881 5.737 3.527 213 H LEU 26 HN LEU 26 -8.308 5.725 -0.467 214 HA LEU 26 HA LEU 26 -5.722 5.544 0.600 215 HB2 LEU 26 HB2 LEU 26 -6.894 4.216 -1.840 216 HB3 LEU 26 HB1 LEU 26 -5.364 3.772 -1.117 217 HG LEU 26 HG LEU 26 -8.053 3.544 0.241 218 HD11 LEU 26 HD11 LEU 26 -6.268 1.437 -0.946 219 HD12 LEU 26 HD12 LEU 26 -7.812 1.969 -1.608 220 HD13 LEU 26 HD13 LEU 26 -7.756 1.143 -0.052 221 HD21 LEU 26 HD21 LEU 26 -5.304 2.620 1.084 222 HD22 LEU 26 HD22 LEU 26 -6.811 2.239 1.914 223 HD23 LEU 26 HD23 LEU 26 -6.247 3.906 1.841 224 H LYS 27 HN LYS 27 -6.927 6.854 -2.398 225 HA LYS 27 HA LYS 27 -4.423 7.402 -3.588 226 HB2 LYS 27 HB2 LYS 27 -7.147 8.616 -4.015 227 HB3 LYS 27 HB1 LYS 27 -5.739 9.046 -4.978 228 HG2 LYS 27 HG2 LYS 27 -5.552 6.843 -5.849 229 HG3 LYS 27 HG1 LYS 27 -6.755 6.229 -4.717 230 HD2 LYS 27 HD2 LYS 27 -7.657 6.520 -7.000 231 HD3 LYS 27 HD1 LYS 27 -8.500 7.509 -5.822 232 HE2 LYS 27 HE2 LYS 27 -7.163 9.453 -6.532 233 HE3 LYS 27 HE1 LYS 27 -6.365 8.445 -7.740 234 HZ1 LYS 27 HZ1 LYS 27 -8.213 9.769 -8.607 235 HZ2 LYS 27 HZ2 LYS 27 -9.293 8.922 -7.621 236 HZ3 LYS 27 HZ3 LYS 27 -8.428 8.120 -8.853 237 H LYS 28 HN LYS 28 -6.330 9.166 -1.240 238 HA LYS 28 HA LYS 28 -4.765 11.572 -1.400 239 HB2 LYS 28 HB2 LYS 28 -6.803 10.537 0.540 240 HB3 LYS 28 HB1 LYS 28 -5.741 11.820 1.065 241 HG2 LYS 28 HG2 LYS 28 -7.854 12.759 0.359 242 HG3 LYS 28 HG1 LYS 28 -6.599 13.243 -0.762 243 HD2 LYS 28 HD2 LYS 28 -8.347 10.877 -1.363 244 HD3 LYS 28 HD1 LYS 28 -8.937 12.511 -1.645 245 HE2 LYS 28 HE2 LYS 28 -6.410 11.346 -2.816 246 HE3 LYS 28 HE1 LYS 28 -7.949 11.464 -3.661 247 HZ1 LYS 28 HZ1 LYS 28 -7.837 13.861 -3.440 248 HZ2 LYS 28 HZ2 LYS 28 -6.501 13.286 -4.250 249 HZ3 LYS 28 HZ3 LYS 28 -6.362 13.772 -2.643 250 H LYS 29 HN LYS 29 -4.726 8.692 0.643 251 HA LYS 29 HA LYS 29 -2.650 9.516 2.253 252 HB2 LYS 29 HB2 LYS 29 -4.328 7.530 2.430 253 HB3 LYS 29 HB1 LYS 29 -3.111 6.658 1.503 254 HG2 LYS 29 HG2 LYS 29 -2.847 6.243 3.811 255 HG3 LYS 29 HG1 LYS 29 -1.457 7.187 3.232 256 HD2 LYS 29 HD2 LYS 29 -2.697 9.254 4.034 257 HD3 LYS 29 HD1 LYS 29 -3.859 8.166 4.748 258 HE2 LYS 29 HE2 LYS 29 -2.175 7.229 6.211 259 HE3 LYS 29 HE1 LYS 29 -0.917 8.160 5.400 260 HZ1 LYS 29 HZ1 LYS 29 -3.166 9.281 6.976 261 HZ2 LYS 29 HZ2 LYS 29 -2.007 10.161 6.114 262 HZ3 LYS 29 HZ3 LYS 29 -1.534 9.237 7.433 263 H LEU 30 HN LEU 30 -2.709 7.929 -0.831 264 HA LEU 30 HA LEU 30 0.038 7.374 -0.917 265 HB2 LEU 30 HB2 LEU 30 -1.983 7.590 -3.128 266 HB3 LEU 30 HB1 LEU 30 -0.331 7.060 -3.377 267 HG LEU 30 HG LEU 30 -2.389 5.653 -1.668 268 HD11 LEU 30 HD11 LEU 30 -2.923 5.494 -4.025 269 HD12 LEU 30 HD12 LEU 30 -2.359 3.942 -3.406 270 HD13 LEU 30 HD13 LEU 30 -1.283 4.948 -4.374 271 HD21 LEU 30 HD21 LEU 30 -0.750 3.816 -1.605 272 HD22 LEU 30 HD22 LEU 30 -0.146 5.268 -0.817 273 HD23 LEU 30 HD23 LEU 30 0.418 4.842 -2.437 274 H VAL 31 HN VAL 31 -1.825 10.231 -1.706 275 HA VAL 31 HA VAL 31 0.297 11.346 -3.236 276 HB VAL 31 HB VAL 31 -2.153 12.090 -3.423 277 HG11 VAL 31 HG11 VAL 31 -2.899 13.973 -2.075 278 HG12 VAL 31 HG12 VAL 31 -1.469 13.795 -1.059 279 HG13 VAL 31 HG13 VAL 31 -2.668 12.506 -1.121 280 HG21 VAL 31 HG21 VAL 31 -0.410 13.235 -4.643 281 HG22 VAL 31 HG22 VAL 31 -0.041 14.229 -3.234 282 HG23 VAL 31 HG23 VAL 31 -1.598 14.395 -4.050 283 H GLU 32 HN GLU 32 -0.259 11.093 0.180 284 HA GLU 32 HA GLU 32 1.714 13.189 0.647 285 HB2 GLU 32 HB2 GLU 32 1.345 12.875 3.050 286 HB3 GLU 32 HB1 GLU 32 -0.201 13.061 2.246 287 HG2 GLU 32 HG2 GLU 32 -0.648 10.709 2.439 288 HG3 GLU 32 HG1 GLU 32 0.978 10.404 3.033 289 H VAL 33 HN VAL 33 1.392 9.814 0.389 290 HA VAL 33 HA VAL 33 3.739 9.135 1.819 291 HB VAL 33 HB VAL 33 1.576 7.734 1.167 292 HG11 VAL 33 HG11 VAL 33 1.985 6.025 -0.498 293 HG12 VAL 33 HG12 VAL 33 3.512 6.797 -0.913 294 HG13 VAL 33 HG13 VAL 33 2.001 7.638 -1.230 295 HG21 VAL 33 HG21 VAL 33 2.752 5.732 1.761 296 HG22 VAL 33 HG22 VAL 33 3.172 7.139 2.766 297 HG23 VAL 33 HG23 VAL 33 4.286 6.574 1.495 298 H LEU 34 HN LEU 34 2.995 9.867 -1.510 299 HA LEU 34 HA LEU 34 5.428 8.896 -2.604 300 HB2 LEU 34 HB2 LEU 34 3.514 10.951 -3.698 301 HB3 LEU 34 HB1 LEU 34 4.840 10.231 -4.593 302 HG LEU 34 HG LEU 34 2.451 8.746 -3.513 303 HD11 LEU 34 HD11 LEU 34 3.190 9.534 -6.332 304 HD12 LEU 34 HD12 LEU 34 1.875 10.224 -5.377 305 HD13 LEU 34 HD13 LEU 34 1.812 8.534 -5.876 306 HD21 LEU 34 HD21 LEU 34 4.720 7.825 -5.271 307 HD22 LEU 34 HD22 LEU 34 3.283 6.887 -4.874 308 HD23 LEU 34 HD23 LEU 34 4.419 7.335 -3.604 309 H GLU 35 HN GLU 35 4.850 11.461 -0.621 310 HA GLU 35 HA GLU 35 7.035 13.066 -1.671 311 HB2 GLU 35 HB2 GLU 35 4.901 14.071 -0.703 312 HB3 GLU 35 HB1 GLU 35 5.462 13.514 0.865 313 HG2 GLU 35 HG2 GLU 35 6.028 15.811 0.647 314 HG3 GLU 35 HG1 GLU 35 7.517 14.868 0.549 315 H SER 36 HN SER 36 6.132 11.161 1.169 316 HA SER 36 HA SER 36 8.834 10.394 1.620 317 HB2 SER 36 HB2 SER 36 8.754 12.611 2.791 318 HB3 SER 36 HB1 SER 36 7.420 12.009 3.775 319 HG SER 36 HG SER 36 9.189 11.685 4.971 320 HA PRO 37 HA PRO 37 5.858 7.218 2.852 321 HB2 PRO 37 HB2 PRO 37 7.085 5.157 1.727 322 HB3 PRO 37 HB1 PRO 37 6.250 6.358 0.740 323 HG2 PRO 37 HG2 PRO 37 9.167 5.990 1.196 324 HG3 PRO 37 HG1 PRO 37 8.315 6.536 -0.258 325 HD2 PRO 37 HD2 PRO 37 9.591 8.172 1.651 326 HD3 PRO 37 HD1 PRO 37 8.482 8.703 0.372 327 H ARG 38 HN ARG 38 8.622 8.061 4.220 328 HA ARG 38 HA ARG 38 9.047 5.506 5.551 329 HB2 ARG 38 HB2 ARG 38 10.781 7.979 5.723 330 HB3 ARG 38 HB1 ARG 38 11.140 6.412 6.433 331 HG2 ARG 38 HG2 ARG 38 11.146 5.442 4.135 332 HG3 ARG 38 HG1 ARG 38 10.965 7.079 3.505 333 HD2 ARG 38 HD2 ARG 38 13.283 6.483 3.427 334 HD3 ARG 38 HD1 ARG 38 13.061 7.696 4.689 335 HE ARG 38 HE ARG 38 12.929 4.985 5.612 336 HH11 ARG 38 HH11 ARG 38 15.081 7.728 5.039 337 HH12 ARG 38 HH12 ARG 38 16.339 7.137 6.018 338 HH21 ARG 38 HH21 ARG 38 14.656 4.156 6.961 339 HH22 ARG 38 HH22 ARG 38 16.088 5.057 7.140 340 H ILE 39 HN ILE 39 7.119 5.643 6.600 341 HA ILE 39 HA ILE 39 6.950 7.534 8.849 342 HB ILE 39 HB ILE 39 4.804 5.626 7.861 343 HG12 ILE 39 HG12 ILE 39 5.128 8.570 7.189 344 HG13 ILE 39 HG11 ILE 39 5.414 7.237 6.084 345 HG21 ILE 39 HG21 ILE 39 4.656 8.065 9.646 346 HG22 ILE 39 HG22 ILE 39 4.528 6.386 10.172 347 HG23 ILE 39 HG23 ILE 39 3.282 7.083 9.139 348 HD11 ILE 39 HD11 ILE 39 3.259 8.294 5.678 349 HD12 ILE 39 HD12 ILE 39 2.769 7.950 7.338 350 HD13 ILE 39 HD13 ILE 39 3.052 6.625 6.210 351 H GLU 40 HN GLU 40 8.048 6.667 10.518 352 HA GLU 40 HA GLU 40 8.700 3.981 10.936 353 HB2 GLU 40 HB2 GLU 40 9.482 4.606 13.120 354 HB3 GLU 40 HB1 GLU 40 9.862 5.915 12.018 355 HG2 GLU 40 HG2 GLU 40 7.549 5.885 13.965 356 HG3 GLU 40 HG1 GLU 40 9.089 6.680 14.248 357 H ALA 41 HN ALA 41 6.034 5.796 12.080 358 HA ALA 41 HA ALA 41 5.002 3.904 13.934 359 HB1 ALA 41 HB1 ALA 41 3.612 6.201 12.578 360 HB2 ALA 41 HB2 ALA 41 4.539 6.289 14.077 361 HB3 ALA 41 HB3 ALA 41 3.049 5.352 14.016 362 H ASN 42 HN ASN 42 5.037 3.848 10.593 363 HA ASN 42 HA ASN 42 2.676 2.123 10.514 364 HB2 ASN 42 HB2 ASN 42 3.806 3.934 8.374 365 HB3 ASN 42 HB1 ASN 42 2.715 2.615 7.988 366 HD21 ASN 42 HD21 ASN 42 2.348 4.508 10.914 367 HD22 ASN 42 HD22 ASN 42 0.917 5.335 10.415 368 H LYS 43 HN LYS 43 5.850 1.908 10.788 369 HA LYS 43 HA LYS 43 6.616 0.184 8.684 370 HB2 LYS 43 HB2 LYS 43 7.658 0.837 11.381 371 HB3 LYS 43 HB1 LYS 43 8.408 -0.516 10.502 372 HG2 LYS 43 HG2 LYS 43 8.951 1.082 8.704 373 HG3 LYS 43 HG1 LYS 43 8.177 2.365 9.636 374 HD2 LYS 43 HD2 LYS 43 9.767 1.998 11.446 375 HD3 LYS 43 HD1 LYS 43 10.554 0.731 10.507 376 HE2 LYS 43 HE2 LYS 43 10.330 3.624 9.655 377 HE3 LYS 43 HE1 LYS 43 11.737 2.933 10.452 378 HZ1 LYS 43 HZ1 LYS 43 12.105 3.022 8.132 379 HZ2 LYS 43 HZ2 LYS 43 10.695 2.245 7.735 380 HZ3 LYS 43 HZ3 LYS 43 11.948 1.407 8.538 381 H LEU 44 HN LEU 44 6.852 -2.100 8.624 382 HA LEU 44 HA LEU 44 4.835 -3.485 10.211 383 HB2 LEU 44 HB2 LEU 44 4.778 -3.483 7.715 384 HB3 LEU 44 HB1 LEU 44 6.299 -4.334 7.715 385 HG LEU 44 HG LEU 44 5.194 -6.256 8.835 386 HD11 LEU 44 HD11 LEU 44 2.688 -4.642 8.403 387 HD12 LEU 44 HD12 LEU 44 3.398 -5.073 9.962 388 HD13 LEU 44 HD13 LEU 44 2.759 -6.330 8.905 389 HD21 LEU 44 HD21 LEU 44 3.897 -5.344 6.269 390 HD22 LEU 44 HD22 LEU 44 3.921 -6.995 6.884 391 HD23 LEU 44 HD23 LEU 44 5.427 -6.211 6.409 392 H ARG 45 HN ARG 45 5.326 -5.652 11.030 393 HA ARG 45 HA ARG 45 7.743 -5.703 12.543 394 HB2 ARG 45 HB2 ARG 45 5.735 -6.576 13.555 395 HB3 ARG 45 HB1 ARG 45 5.501 -7.710 12.235 396 HG2 ARG 45 HG2 ARG 45 7.557 -8.898 12.930 397 HG3 ARG 45 HG1 ARG 45 7.705 -7.798 14.295 398 HD2 ARG 45 HD2 ARG 45 5.315 -9.580 13.791 399 HD3 ARG 45 HD1 ARG 45 6.654 -9.999 14.854 400 HE ARG 45 HE ARG 45 5.892 -7.634 15.804 401 HH11 ARG 45 HH11 ARG 45 4.046 -10.608 15.150 402 HH12 ARG 45 HH12 ARG 45 2.864 -10.336 16.339 403 HH21 ARG 45 HH21 ARG 45 4.302 -7.293 17.514 404 HH22 ARG 45 HH22 ARG 45 3.056 -8.426 17.727 405 H GLY 46 HN GLY 46 9.627 -6.083 11.448 406 HA2 GLY 46 HA2 GLY 46 11.153 -7.783 10.753 407 HA3 GLY 46 HA1 GLY 46 9.790 -8.706 10.156 408 H MET 47 HN MET 47 8.947 -5.908 9.078 409 HA MET 47 HA MET 47 10.634 -6.041 6.690 410 HB2 MET 47 HB2 MET 47 7.652 -5.548 6.831 411 HB3 MET 47 HB1 MET 47 8.638 -5.374 5.386 412 HG2 MET 47 HG2 MET 47 8.208 -7.949 6.885 413 HG3 MET 47 HG1 MET 47 7.306 -7.452 5.460 414 HE1 MET 47 HE1 MET 47 7.828 -9.606 4.152 415 HE2 MET 47 HE2 MET 47 8.680 -10.257 5.545 416 HE3 MET 47 HE3 MET 47 9.434 -10.294 3.950 417 HA PRO 48 HA PRO 48 10.975 -1.871 8.586 418 HB2 PRO 48 HB2 PRO 48 13.471 -1.865 7.019 419 HB3 PRO 48 HB1 PRO 48 13.237 -1.570 8.742 420 HG2 PRO 48 HG2 PRO 48 14.384 -3.817 7.891 421 HG3 PRO 48 HG1 PRO 48 13.268 -3.829 9.267 422 HD2 PRO 48 HD2 PRO 48 12.771 -4.594 6.423 423 HD3 PRO 48 HD1 PRO 48 12.274 -5.432 7.908 424 H ASP 49 HN ASP 49 11.152 -2.963 5.312 425 HA ASP 49 HA ASP 49 10.953 -0.227 4.243 426 HB2 ASP 49 HB2 ASP 49 11.221 -2.787 2.647 427 HB3 ASP 49 HB1 ASP 49 11.442 -1.147 2.079 428 H CYS 50 HN CYS 50 8.927 -2.545 5.342 429 HA CYS 50 HA CYS 50 6.924 -1.961 3.293 430 HB2 CYS 50 HB2 CYS 50 7.504 -4.394 3.598 431 HB3 CYS 50 HB1 CYS 50 6.936 -4.256 5.258 432 HG CYS 50 HG CYS 50 4.743 -3.269 2.964 433 H TYR 51 HN TYR 51 5.039 -1.075 3.927 434 HA TYR 51 HA TYR 51 4.787 -0.389 6.745 435 HB2 TYR 51 HB2 TYR 51 4.463 1.518 4.406 436 HB3 TYR 51 HB1 TYR 51 4.086 1.874 6.088 437 HD1 TYR 51 HD2 TYR 51 6.971 0.845 3.931 438 HD2 TYR 51 HD1 TYR 51 5.665 2.880 7.407 439 HE1 TYR 51 HE2 TYR 51 9.259 1.650 4.314 440 HE2 TYR 51 HE1 TYR 51 7.941 3.679 7.787 441 HH TYR 51 HH TYR 51 10.448 3.324 5.474 442 H LYS 52 HN LYS 52 2.664 0.154 7.313 443 HA LYS 52 HA LYS 52 0.556 -0.857 5.567 444 HB2 LYS 52 HB2 LYS 52 -0.496 -1.820 7.601 445 HB3 LYS 52 HB1 LYS 52 1.060 -2.567 7.264 446 HG2 LYS 52 HG2 LYS 52 2.127 -1.235 8.965 447 HG3 LYS 52 HG1 LYS 52 0.645 -0.335 9.231 448 HD2 LYS 52 HD2 LYS 52 -0.415 -2.445 10.012 449 HD3 LYS 52 HD1 LYS 52 1.163 -3.237 9.859 450 HE2 LYS 52 HE2 LYS 52 2.142 -1.598 11.346 451 HE3 LYS 52 HE1 LYS 52 0.588 -0.799 11.517 452 HZ1 LYS 52 HZ1 LYS 52 -0.279 -2.904 12.496 453 HZ2 LYS 52 HZ2 LYS 52 0.917 -2.129 13.378 454 HZ3 LYS 52 HZ3 LYS 52 1.328 -3.505 12.489 455 H ILE 53 HN ILE 53 -1.040 0.589 5.387 456 HA ILE 53 HA ILE 53 -1.236 2.661 7.453 457 HB ILE 53 HB ILE 53 -1.878 3.076 4.509 458 HG12 ILE 53 HG12 ILE 53 0.534 4.064 6.059 459 HG13 ILE 53 HG11 ILE 53 0.563 2.758 4.879 460 HG21 ILE 53 HG21 ILE 53 -1.681 4.913 6.884 461 HG22 ILE 53 HG22 ILE 53 -3.146 4.492 5.999 462 HG23 ILE 53 HG23 ILE 53 -1.869 5.457 5.223 463 HD11 ILE 53 HD11 ILE 53 -0.174 5.620 4.308 464 HD12 ILE 53 HD12 ILE 53 -0.065 4.310 3.127 465 HD13 ILE 53 HD13 ILE 53 1.386 4.869 3.965 466 H LYS 54 HN LYS 54 -3.405 3.290 7.939 467 HA LYS 54 HA LYS 54 -5.435 1.634 6.724 468 HB2 LYS 54 HB2 LYS 54 -6.303 1.141 9.076 469 HB3 LYS 54 HB1 LYS 54 -4.896 0.255 8.504 470 HG2 LYS 54 HG2 LYS 54 -3.554 2.143 9.693 471 HG3 LYS 54 HG1 LYS 54 -5.062 2.402 10.572 472 HD2 LYS 54 HD2 LYS 54 -3.685 -0.248 10.311 473 HD3 LYS 54 HD1 LYS 54 -3.440 0.841 11.669 474 HE2 LYS 54 HE2 LYS 54 -6.113 -0.303 10.840 475 HE3 LYS 54 HE1 LYS 54 -5.101 -0.982 12.110 476 HZ1 LYS 54 HZ1 LYS 54 -6.301 1.736 12.089 477 HZ2 LYS 54 HZ2 LYS 54 -5.268 1.144 13.277 478 HZ3 LYS 54 HZ3 LYS 54 -6.777 0.445 13.061 479 H LEU 55 HN LEU 55 -7.365 2.416 6.599 480 HA LEU 55 HA LEU 55 -7.743 5.252 7.075 481 HB2 LEU 55 HB2 LEU 55 -9.525 3.206 5.755 482 HB3 LEU 55 HB1 LEU 55 -9.787 4.935 5.762 483 HG LEU 55 HG LEU 55 -7.509 3.511 4.393 484 HD11 LEU 55 HD11 LEU 55 -9.630 3.058 3.331 485 HD12 LEU 55 HD12 LEU 55 -8.664 4.143 2.334 486 HD13 LEU 55 HD13 LEU 55 -10.006 4.780 3.289 487 HD21 LEU 55 HD21 LEU 55 -7.073 5.703 3.358 488 HD22 LEU 55 HD22 LEU 55 -6.872 5.754 5.105 489 HD23 LEU 55 HD23 LEU 55 -8.328 6.422 4.369 490 H ARG 56 HN ARG 56 -8.763 5.920 8.790 491 HA ARG 56 HA ARG 56 -9.672 4.089 10.771 492 HB2 ARG 56 HB2 ARG 56 -9.838 7.111 10.710 493 HB3 ARG 56 HB1 ARG 56 -10.280 6.126 12.089 494 HG2 ARG 56 HG2 ARG 56 -8.130 6.958 12.568 495 HG3 ARG 56 HG1 ARG 56 -7.878 5.288 12.087 496 HD2 ARG 56 HD2 ARG 56 -7.211 6.045 9.848 497 HD3 ARG 56 HD1 ARG 56 -7.463 7.719 10.337 498 HE ARG 56 HE ARG 56 -5.570 6.090 11.852 499 HH11 ARG 56 HH11 ARG 56 -6.052 8.784 9.566 500 HH12 ARG 56 HH12 ARG 56 -4.431 9.291 9.647 501 HH21 ARG 56 HH21 ARG 56 -3.366 6.844 11.945 502 HH22 ARG 56 HH22 ARG 56 -2.893 8.191 11.003 503 H SER 57 HN SER 57 -11.241 6.154 8.447 504 HA SER 57 HA SER 57 -13.867 5.905 9.511 505 HB2 SER 57 HB2 SER 57 -13.016 6.645 6.712 506 HB3 SER 57 HB1 SER 57 -14.533 7.065 7.516 507 HG SER 57 HG SER 57 -13.269 8.189 9.060 508 H SER 58 HN SER 58 -11.980 4.063 7.209 509 HA SER 58 HA SER 58 -14.369 2.658 6.306 510 HB2 SER 58 HB2 SER 58 -11.575 2.558 5.176 511 HB3 SER 58 HB1 SER 58 -13.062 1.971 4.420 512 HG SER 58 HG SER 58 -13.834 4.122 4.599 513 H GLY 59 HN GLY 59 -11.278 2.009 7.978 514 HA2 GLY 59 HA2 GLY 59 -10.828 0.177 9.322 515 HA3 GLY 59 HA1 GLY 59 -12.285 -0.609 8.719 516 H TYR 60 HN TYR 60 -10.547 0.669 6.255 517 HA TYR 60 HA TYR 60 -9.556 -1.938 5.424 518 HB2 TYR 60 HB2 TYR 60 -10.028 0.639 3.933 519 HB3 TYR 60 HB1 TYR 60 -9.153 -0.709 3.223 520 HD1 TYR 60 HD1 TYR 60 -12.429 0.098 4.828 521 HD2 TYR 60 HD2 TYR 60 -10.322 -2.322 2.063 522 HE1 TYR 60 HE1 TYR 60 -14.552 -0.881 4.085 523 HE2 TYR 60 HE2 TYR 60 -12.431 -3.321 1.308 524 HH TYR 60 HH TYR 60 -15.477 -2.036 2.122 525 H ARG 61 HN ARG 61 -7.390 -1.988 4.369 526 HA ARG 61 HA ARG 61 -5.606 0.073 5.289 527 HB2 ARG 61 HB2 ARG 61 -3.912 -1.757 5.901 528 HB3 ARG 61 HB1 ARG 61 -5.203 -1.459 7.045 529 HG2 ARG 61 HG2 ARG 61 -5.638 -3.594 5.036 530 HG3 ARG 61 HG1 ARG 61 -4.456 -3.902 6.310 531 HD2 ARG 61 HD2 ARG 61 -7.258 -2.932 6.819 532 HD3 ARG 61 HD1 ARG 61 -6.804 -4.640 6.818 533 HE ARG 61 HE ARG 61 -5.026 -3.675 8.514 534 HH11 ARG 61 HH11 ARG 61 -8.522 -2.932 8.514 535 HH12 ARG 61 HH12 ARG 61 -8.626 -2.851 10.202 536 HH21 ARG 61 HH21 ARG 61 -5.214 -3.560 10.877 537 HH22 ARG 61 HH22 ARG 61 -6.728 -3.240 11.561 538 H LEU 62 HN LEU 62 -3.421 -0.337 4.343 539 HA LEU 62 HA LEU 62 -3.468 -1.650 1.784 540 HB2 LEU 62 HB2 LEU 62 -4.225 0.631 1.319 541 HB3 LEU 62 HB1 LEU 62 -2.881 1.303 2.207 542 HG LEU 62 HG LEU 62 -2.464 -0.300 -0.328 543 HD11 LEU 62 HD11 LEU 62 -2.449 1.832 -1.539 544 HD12 LEU 62 HD12 LEU 62 -2.941 2.673 -0.067 545 HD13 LEU 62 HD13 LEU 62 -4.032 1.516 -0.830 546 HD21 LEU 62 HD21 LEU 62 -0.484 0.155 1.055 547 HD22 LEU 62 HD22 LEU 62 -0.859 1.879 1.016 548 HD23 LEU 62 HD23 LEU 62 -0.423 1.040 -0.471 549 H VAL 63 HN VAL 63 -1.649 -2.674 1.517 550 HA VAL 63 HA VAL 63 0.549 -2.240 3.437 551 HB VAL 63 HB VAL 63 0.046 -4.685 1.739 552 HG11 VAL 63 HG11 VAL 63 2.273 -4.519 2.614 553 HG12 VAL 63 HG12 VAL 63 1.410 -5.843 3.405 554 HG13 VAL 63 HG13 VAL 63 1.646 -4.313 4.250 555 HG21 VAL 63 HG21 VAL 63 -0.978 -4.229 4.544 556 HG22 VAL 63 HG22 VAL 63 -1.011 -5.772 3.684 557 HG23 VAL 63 HG23 VAL 63 -1.949 -4.406 3.083 558 H TYR 64 HN TYR 64 2.434 -1.508 2.495 559 HA TYR 64 HA TYR 64 2.873 -2.113 -0.319 560 HB2 TYR 64 HB2 TYR 64 3.336 0.161 -0.962 561 HB3 TYR 64 HB1 TYR 64 1.742 0.118 -0.226 562 HD1 TYR 64 HD2 TYR 64 1.427 1.076 2.066 563 HD2 TYR 64 HD1 TYR 64 5.101 1.444 -0.036 564 HE1 TYR 64 HE2 TYR 64 2.117 2.892 3.566 565 HE2 TYR 64 HE1 TYR 64 5.779 3.255 1.461 566 HH TYR 64 HH TYR 64 4.210 3.945 4.338 567 H GLN 65 HN GLN 65 5.095 -1.167 -0.936 568 HA GLN 65 HA GLN 65 6.983 -1.417 1.256 569 HB2 GLN 65 HB2 GLN 65 6.953 -3.557 0.157 570 HB3 GLN 65 HB1 GLN 65 7.069 -2.803 -1.423 571 HG2 GLN 65 HG2 GLN 65 9.329 -2.047 -0.934 572 HG3 GLN 65 HG1 GLN 65 9.214 -2.702 0.694 573 HE21 GLN 65 HE21 GLN 65 7.856 -5.031 -0.075 574 HE22 GLN 65 HE22 GLN 65 8.986 -6.075 -0.887 575 H VAL 66 HN VAL 66 8.691 -0.149 1.075 576 HA VAL 66 HA VAL 66 8.528 2.002 -0.900 577 HB VAL 66 HB VAL 66 10.199 1.822 1.634 578 HG11 VAL 66 HG11 VAL 66 10.616 4.210 1.311 579 HG12 VAL 66 HG12 VAL 66 9.700 4.181 -0.185 580 HG13 VAL 66 HG13 VAL 66 11.227 3.294 -0.072 581 HG21 VAL 66 HG21 VAL 66 7.820 1.962 2.081 582 HG22 VAL 66 HG22 VAL 66 7.715 3.360 1.007 583 HG23 VAL 66 HG23 VAL 66 8.629 3.472 2.514 584 H ILE 67 HN ILE 67 9.634 1.536 -2.680 585 HA ILE 67 HA ILE 67 12.146 0.055 -2.459 586 HB ILE 67 HB ILE 67 10.598 0.853 -4.945 587 HG12 ILE 67 HG12 ILE 67 10.590 -1.798 -3.475 588 HG13 ILE 67 HG11 ILE 67 9.255 -0.656 -3.533 589 HG21 ILE 67 HG21 ILE 67 12.779 -1.194 -4.529 590 HG22 ILE 67 HG22 ILE 67 12.987 0.385 -5.273 591 HG23 ILE 67 HG23 ILE 67 11.977 -0.832 -6.060 592 HD11 ILE 67 HD11 ILE 67 10.409 -2.132 -5.890 593 HD12 ILE 67 HD12 ILE 67 9.063 -0.998 -5.941 594 HD13 ILE 67 HD13 ILE 67 8.903 -2.517 -5.061 595 H ASP 68 HN ASP 68 13.766 1.495 -2.052 596 HA ASP 68 HA ASP 68 13.502 4.195 -3.049 597 HB2 ASP 68 HB2 ASP 68 15.447 4.776 -1.738 598 HB3 ASP 68 HB1 ASP 68 14.370 3.797 -0.756 599 H GLU 69 HN GLU 69 15.115 1.334 -3.998 600 HA GLU 69 HA GLU 69 17.141 2.544 -5.561 601 HB2 GLU 69 HB2 GLU 69 17.333 0.327 -6.708 602 HB3 GLU 69 HB1 GLU 69 17.423 0.232 -4.958 603 HG2 GLU 69 HG2 GLU 69 15.173 -0.579 -4.827 604 HG3 GLU 69 HG1 GLU 69 14.931 -0.290 -6.538 605 H LYS 70 HN LYS 70 13.882 1.526 -6.341 606 HA LYS 70 HA LYS 70 14.195 2.533 -9.077 607 HB2 LYS 70 HB2 LYS 70 11.941 0.956 -7.797 608 HB3 LYS 70 HB1 LYS 70 11.955 1.485 -9.471 609 HG2 LYS 70 HG2 LYS 70 13.921 0.099 -9.901 610 HG3 LYS 70 HG1 LYS 70 13.928 -0.437 -8.223 611 HD2 LYS 70 HD2 LYS 70 11.743 -1.467 -8.524 612 HD3 LYS 70 HD1 LYS 70 11.669 -0.862 -10.179 613 HE2 LYS 70 HE2 LYS 70 12.305 -3.188 -10.239 614 HE3 LYS 70 HE1 LYS 70 13.687 -2.209 -10.708 615 HZ1 LYS 70 HZ1 LYS 70 13.273 -3.456 -8.033 616 HZ2 LYS 70 HZ2 LYS 70 14.625 -2.554 -8.445 617 HZ3 LYS 70 HZ3 LYS 70 14.316 -3.999 -9.220 618 H VAL 71 HN VAL 71 13.365 3.572 -6.138 619 HA VAL 71 HA VAL 71 12.229 5.222 -5.140 620 HB VAL 71 HB VAL 71 12.143 6.770 -7.732 621 HG11 VAL 71 HG11 VAL 71 12.479 8.687 -6.272 622 HG12 VAL 71 HG12 VAL 71 12.632 7.600 -4.893 623 HG13 VAL 71 HG13 VAL 71 11.101 7.708 -5.750 624 HG21 VAL 71 HG21 VAL 71 14.361 5.827 -7.627 625 HG22 VAL 71 HG22 VAL 71 14.556 6.447 -5.973 626 HG23 VAL 71 HG23 VAL 71 14.384 7.571 -7.337 627 H VAL 72 HN VAL 72 10.415 3.643 -5.169 628 HA VAL 72 HA VAL 72 8.112 4.894 -6.301 629 HB VAL 72 HB VAL 72 9.041 3.522 -8.134 630 HG11 VAL 72 HG11 VAL 72 8.508 1.163 -6.366 631 HG12 VAL 72 HG12 VAL 72 10.076 1.747 -6.935 632 HG13 VAL 72 HG13 VAL 72 8.912 1.088 -8.083 633 HG21 VAL 72 HG21 VAL 72 6.958 2.309 -8.698 634 HG22 VAL 72 HG22 VAL 72 6.710 3.972 -8.162 635 HG23 VAL 72 HG23 VAL 72 6.390 2.641 -7.057 636 H VAL 73 HN VAL 73 6.221 4.209 -5.342 637 HA VAL 73 HA VAL 73 6.469 2.647 -2.899 638 HB VAL 73 HB VAL 73 4.295 4.521 -3.914 639 HG11 VAL 73 HG11 VAL 73 4.467 3.103 -1.257 640 HG12 VAL 73 HG12 VAL 73 3.323 2.735 -2.550 641 HG13 VAL 73 HG13 VAL 73 3.247 4.290 -1.722 642 HG21 VAL 73 HG21 VAL 73 6.299 4.823 -1.688 643 HG22 VAL 73 HG22 VAL 73 5.000 5.958 -2.066 644 HG23 VAL 73 HG23 VAL 73 6.290 5.672 -3.237 645 H PHE 74 HN PHE 74 6.294 0.590 -3.486 646 HA PHE 74 HA PHE 74 4.378 -0.177 -5.533 647 HB2 PHE 74 HB2 PHE 74 6.561 -1.048 -5.928 648 HB3 PHE 74 HB1 PHE 74 6.720 -1.591 -4.269 649 HD1 PHE 74 HD1 PHE 74 3.974 -2.152 -6.763 650 HD2 PHE 74 HD2 PHE 74 7.046 -3.854 -4.359 651 HE1 PHE 74 HE1 PHE 74 3.255 -4.394 -7.424 652 HE2 PHE 74 HE2 PHE 74 6.319 -6.100 -5.020 653 HZ PHE 74 HZ PHE 74 4.417 -6.366 -6.553 654 H VAL 75 HN VAL 75 2.453 -0.420 -4.775 655 HA VAL 75 HA VAL 75 1.933 -1.355 -2.140 656 HB VAL 75 HB VAL 75 -0.005 -0.921 -4.415 657 HG11 VAL 75 HG11 VAL 75 -0.473 -1.159 -1.444 658 HG12 VAL 75 HG12 VAL 75 -0.930 -2.338 -2.672 659 HG13 VAL 75 HG13 VAL 75 -1.699 -0.750 -2.642 660 HG21 VAL 75 HG21 VAL 75 0.858 0.950 -2.204 661 HG22 VAL 75 HG22 VAL 75 -0.458 1.255 -3.339 662 HG23 VAL 75 HG23 VAL 75 1.198 1.122 -3.927 663 H ILE 76 HN ILE 76 1.593 -3.268 -1.506 664 HA ILE 76 HA ILE 76 1.963 -5.536 -3.271 665 HB ILE 76 HB ILE 76 1.678 -5.405 -0.268 666 HG12 ILE 76 HG12 ILE 76 3.606 -4.060 -1.041 667 HG13 ILE 76 HG11 ILE 76 4.112 -5.453 -0.108 668 HG21 ILE 76 HG21 ILE 76 2.774 -7.588 -2.028 669 HG22 ILE 76 HG22 ILE 76 1.248 -7.614 -1.145 670 HG23 ILE 76 HG23 ILE 76 2.774 -7.580 -0.263 671 HD11 ILE 76 HD11 ILE 76 4.189 -5.179 -3.105 672 HD12 ILE 76 HD12 ILE 76 4.679 -6.609 -2.196 673 HD13 ILE 76 HD13 ILE 76 5.566 -5.096 -2.004 674 H SER 77 HN SER 77 -0.405 -4.312 -0.864 675 HA SER 77 HA SER 77 -2.472 -6.013 -2.031 676 HB2 SER 77 HB2 SER 77 -1.822 -6.010 0.924 677 HB3 SER 77 HB1 SER 77 -3.069 -6.960 0.117 678 HG SER 77 HG SER 77 -0.943 -7.517 -1.174 679 H VAL 78 HN VAL 78 -4.510 -5.142 -1.806 680 HA VAL 78 HA VAL 78 -4.782 -2.664 -0.214 681 HB VAL 78 HB VAL 78 -6.046 -3.217 -2.925 682 HG11 VAL 78 HG11 VAL 78 -7.461 -1.904 -1.481 683 HG12 VAL 78 HG12 VAL 78 -6.856 -0.927 -2.819 684 HG13 VAL 78 HG13 VAL 78 -6.152 -0.758 -1.207 685 HG21 VAL 78 HG21 VAL 78 -3.885 -1.238 -2.213 686 HG22 VAL 78 HG22 VAL 78 -4.652 -1.414 -3.794 687 HG23 VAL 78 HG23 VAL 78 -3.660 -2.719 -3.139 688 H GLY 79 HN GLY 79 -6.447 -2.879 1.305 689 HA2 GLY 79 HA2 GLY 79 -8.953 -3.323 1.098 690 HA3 GLY 79 HA1 GLY 79 -8.415 -4.958 0.743 691 H LYS 80 HN LYS 80 -9.545 -5.673 2.589 692 HA LYS 80 HA LYS 80 -8.362 -4.829 5.120 693 HB2 LYS 80 HB2 LYS 80 -10.796 -6.531 4.596 694 HB3 LYS 80 HB1 LYS 80 -10.159 -6.142 6.181 695 HG2 LYS 80 HG2 LYS 80 -10.557 -3.748 5.708 696 HG3 LYS 80 HG1 LYS 80 -11.306 -4.210 4.175 697 HD2 LYS 80 HD2 LYS 80 -13.023 -3.843 5.802 698 HD3 LYS 80 HD1 LYS 80 -12.939 -5.576 5.471 699 HE2 LYS 80 HE2 LYS 80 -11.541 -5.836 7.534 700 HE3 LYS 80 HE1 LYS 80 -11.779 -4.118 7.853 701 HZ1 LYS 80 HZ1 LYS 80 -13.887 -6.176 7.684 702 HZ2 LYS 80 HZ2 LYS 80 -14.156 -4.537 8.047 703 HZ3 LYS 80 HZ3 LYS 80 -13.294 -5.516 9.105 704 H ALA 81 HN ALA 81 -7.730 -6.465 6.617 705 HA ALA 81 HA ALA 81 -7.070 -9.029 5.430 706 HB1 ALA 81 HB1 ALA 81 -5.086 -7.224 6.824 707 HB2 ALA 81 HB2 ALA 81 -5.058 -7.672 5.113 708 HB3 ALA 81 HB3 ALA 81 -4.792 -8.896 6.359 709 H GLU 82 HN GLU 82 -6.178 -10.436 7.265 710 HA GLU 82 HA GLU 82 -8.015 -10.269 9.397 711 HB2 GLU 82 HB2 GLU 82 -7.380 -12.445 8.612 712 HB3 GLU 82 HB1 GLU 82 -5.681 -12.125 8.921 713 HG2 GLU 82 HG2 GLU 82 -6.631 -13.559 10.650 714 HG3 GLU 82 HG1 GLU 82 -6.110 -11.972 11.253 715 H ALA 83 HN ALA 83 -7.821 -8.820 10.814 716 HA ALA 83 HA ALA 83 -5.260 -8.396 12.190 717 HB1 ALA 83 HB1 ALA 83 -5.685 -5.996 12.156 718 HB2 ALA 83 HB2 ALA 83 -7.113 -6.283 11.156 719 HB3 ALA 83 HB3 ALA 83 -5.504 -6.653 10.523 720 H SER 84 HN SER 84 -8.130 -9.601 12.548 721 HA SER 84 HA SER 84 -8.937 -7.888 14.756 722 HB2 SER 84 HB2 SER 84 -10.592 -9.895 13.221 723 HB3 SER 84 HB1 SER 84 -11.168 -8.744 14.427 724 HG SER 84 HG SER 84 -10.374 -8.356 11.797 725 H GLU 85 HN GLU 85 -8.414 -11.290 13.812 726 HA GLU 85 HA GLU 85 -8.049 -11.846 16.652 727 HB2 GLU 85 HB2 GLU 85 -9.638 -13.721 16.667 728 HB3 GLU 85 HB1 GLU 85 -10.376 -12.142 16.477 729 HG2 GLU 85 HG2 GLU 85 -10.587 -12.571 14.066 730 HG3 GLU 85 HG1 GLU 85 -9.936 -14.192 14.326 731 H VAL 86 HN VAL 86 -6.480 -12.144 14.013 732 HA VAL 86 HA VAL 86 -5.854 -14.854 13.658 733 HB VAL 86 HB VAL 86 -4.984 -13.240 12.081 734 HG11 VAL 86 HG11 VAL 86 -4.660 -11.332 13.538 735 HG12 VAL 86 HG12 VAL 86 -3.186 -11.656 12.623 736 HG13 VAL 86 HG13 VAL 86 -3.296 -12.134 14.315 737 HG21 VAL 86 HG21 VAL 86 -2.688 -14.545 13.537 738 HG22 VAL 86 HG22 VAL 86 -2.618 -13.899 11.898 739 HG23 VAL 86 HG23 VAL 86 -3.670 -15.268 12.263 740 H TYR 87 HN TYR 87 -4.774 -12.645 16.110 741 HA TYR 87 HA TYR 87 -2.756 -14.426 17.091 742 HB2 TYR 87 HB2 TYR 87 -2.387 -12.774 18.852 743 HB3 TYR 87 HB1 TYR 87 -2.302 -12.104 17.237 744 HD1 TYR 87 HD1 TYR 87 -4.174 -10.603 16.437 745 HD2 TYR 87 HD2 TYR 87 -3.948 -11.996 20.446 746 HE1 TYR 87 HE1 TYR 87 -5.703 -8.802 17.146 747 HE2 TYR 87 HE2 TYR 87 -5.460 -10.225 21.162 748 HH TYR 87 HH TYR 87 -7.271 -8.316 19.013 749 H SER 88 HN SER 88 -6.003 -14.602 17.377 750 HA SER 88 HA SER 88 -6.023 -15.407 20.138 751 HB2 SER 88 HB2 SER 88 -8.153 -15.656 18.004 752 HB3 SER 88 HB1 SER 88 -8.383 -15.755 19.757 753 HG SER 88 HG SER 88 -7.756 -13.561 19.903 754 H GLU 89 HN GLU 89 -5.352 -16.687 17.072 755 HA GLU 89 HA GLU 89 -5.874 -19.471 17.670 756 HB2 GLU 89 HB2 GLU 89 -6.045 -18.672 15.365 757 HB3 GLU 89 HB1 GLU 89 -4.386 -18.092 15.422 758 HG2 GLU 89 HG2 GLU 89 -3.743 -20.523 15.868 759 HG3 GLU 89 HG1 GLU 89 -5.377 -20.918 15.343 760 H ALA 90 HN ALA 90 -3.212 -17.227 17.450 761 HA ALA 90 HA ALA 90 -1.173 -19.180 17.749 762 HB1 ALA 90 HB1 ALA 90 -0.827 -17.184 16.418 763 HB2 ALA 90 HB2 ALA 90 0.362 -17.294 17.723 764 HB3 ALA 90 HB3 ALA 90 -1.007 -16.192 17.859 765 H VAL 91 HN VAL 91 -1.618 -20.189 19.624 766 HA VAL 91 HA VAL 91 -1.356 -18.731 22.106 767 HB VAL 91 HB VAL 91 -1.606 -21.004 23.191 768 HG11 VAL 91 HG11 VAL 91 -3.815 -20.098 21.320 769 HG12 VAL 91 HG12 VAL 91 -3.517 -19.471 22.939 770 HG13 VAL 91 HG13 VAL 91 -4.046 -21.141 22.721 771 HG21 VAL 91 HG21 VAL 91 -0.888 -22.391 21.318 772 HG22 VAL 91 HG22 VAL 91 -2.284 -21.864 20.376 773 HG23 VAL 91 HG23 VAL 91 -2.516 -22.830 21.831 774 H LYS 92 HN LYS 92 0.286 -18.944 23.515 775 HA LYS 92 HA LYS 92 2.713 -20.092 22.378 776 HB2 LYS 92 HB2 LYS 92 3.933 -18.284 23.722 777 HB3 LYS 92 HB1 LYS 92 3.093 -17.767 22.279 778 HG2 LYS 92 HG2 LYS 92 1.843 -17.549 25.005 779 HG3 LYS 92 HG1 LYS 92 2.928 -16.296 24.400 780 HD2 LYS 92 HD2 LYS 92 0.314 -17.195 23.114 781 HD3 LYS 92 HD1 LYS 92 0.536 -15.742 24.079 782 HE2 LYS 92 HE2 LYS 92 2.118 -14.882 22.407 783 HE3 LYS 92 HE1 LYS 92 1.893 -16.334 21.437 784 HZ1 LYS 92 HZ1 LYS 92 -0.235 -14.362 22.098 785 HZ2 LYS 92 HZ2 LYS 92 -0.425 -15.754 21.133 786 HZ3 LYS 92 HZ3 LYS 92 0.551 -14.494 20.609 787 H ARG 93 HN ARG 93 0.601 -20.978 24.301 788 HA ARG 93 HA ARG 93 2.201 -21.634 26.647 789 HB2 ARG 93 HB2 ARG 93 0.098 -22.769 27.444 790 HB3 ARG 93 HB1 ARG 93 -0.060 -21.045 27.167 791 HG2 ARG 93 HG2 ARG 93 -1.141 -21.485 25.022 792 HG3 ARG 93 HG1 ARG 93 -0.972 -23.218 25.287 793 HD2 ARG 93 HD2 ARG 93 -2.500 -21.361 27.116 794 HD3 ARG 93 HD1 ARG 93 -3.243 -22.281 25.810 795 HE ARG 93 HE ARG 93 -1.795 -24.040 27.379 796 HH11 ARG 93 HH11 ARG 93 -4.627 -21.959 27.791 797 HH12 ARG 93 HH12 ARG 93 -5.434 -23.026 28.843 798 HH21 ARG 93 HH21 ARG 93 -2.919 -25.517 28.835 799 HH22 ARG 93 HH22 ARG 93 -4.437 -25.077 29.460 800 H ILE 94 HN ILE 94 1.892 -22.826 23.620 801 HA ILE 94 HA ILE 94 2.131 -25.603 24.477 802 HB ILE 94 HB ILE 94 1.567 -26.243 22.150 803 HG12 ILE 94 HG12 ILE 94 1.035 -23.283 21.741 804 HG13 ILE 94 HG11 ILE 94 2.378 -24.174 21.042 805 HG21 ILE 94 HG21 ILE 94 -0.810 -25.674 22.254 806 HG22 ILE 94 HG22 ILE 94 -0.457 -24.441 23.462 807 HG23 ILE 94 HG23 ILE 94 -0.181 -26.144 23.835 808 HD11 ILE 94 HD11 ILE 94 0.809 -25.549 19.779 809 HD12 ILE 94 HD12 ILE 94 0.607 -23.832 19.416 810 HD13 ILE 94 HD13 ILE 94 -0.538 -24.653 20.479 811 H LEU 95 HN LEU 95 3.476 -26.778 22.472 812 HA LEU 95 HA LEU 95 5.872 -25.154 22.082 813 HB2 LEU 95 HB2 LEU 95 6.303 -26.920 23.702 814 HB3 LEU 95 HB1 LEU 95 5.676 -28.129 22.606 815 HG LEU 95 HG LEU 95 7.578 -27.686 21.074 816 HD11 LEU 95 HD11 LEU 95 8.548 -25.892 23.291 817 HD12 LEU 95 HD12 LEU 95 8.062 -25.386 21.671 818 HD13 LEU 95 HD13 LEU 95 9.492 -26.396 21.892 819 HD21 LEU 95 HD21 LEU 95 9.288 -28.763 22.463 820 HD22 LEU 95 HD22 LEU 95 7.705 -29.502 22.693 821 HD23 LEU 95 HD23 LEU 95 8.344 -28.395 23.906 822 H LYS 47 H LYS 47 9.356 2.373 22.188 823 HA LYS 47 HA LYS 47 8.010 1.471 20.431 824 HB2 LYS 47 HB2 LYS 47 8.508 4.445 20.272 825 HB3 LYS 47 HB1 LYS 47 7.187 3.645 19.441 826 HG2 LYS 47 HG2 LYS 47 7.618 3.721 22.418 827 HG3 LYS 47 HG1 LYS 47 6.438 4.677 21.517 828 HD2 LYS 47 HD2 LYS 47 5.388 2.570 20.753 829 HD3 LYS 47 HD1 LYS 47 6.511 1.665 21.763 830 HE2 LYS 47 HE2 LYS 47 5.632 2.915 23.729 831 HE3 LYS 47 HE1 LYS 47 4.443 3.635 22.642 832 HZ1 LYS 47 HZ1 LYS 47 3.603 1.417 22.153 833 HZ2 LYS 47 HZ2 LYS 47 3.506 1.762 23.782 834 HZ3 LYS 47 HZ3 LYS 47 4.692 0.733 23.234 835 H GLN 48 HN GLN 48 7.792 0.839 18.457 836 HA GLN 48 HA GLN 48 9.857 1.636 16.535 837 HB2 GLN 48 HB2 GLN 48 8.453 -1.023 16.777 838 HB3 GLN 48 HB1 GLN 48 9.562 -0.589 15.493 839 HG2 GLN 48 HG2 GLN 48 11.372 -0.363 17.116 840 HG3 GLN 48 HG1 GLN 48 10.259 -0.782 18.417 841 HE21 GLN 48 HE21 GLN 48 8.891 -2.803 16.841 842 HE22 GLN 48 HE22 GLN 48 9.966 -4.147 16.724 843 H THR 49 HN THR 49 6.520 0.490 16.914 844 HA THR 49 HA THR 49 5.514 2.243 14.944 845 HB THR 49 HB THR 49 6.643 0.626 13.470 846 HG1 THR 49 HG1 THR 49 4.718 -0.122 12.328 847 HG21 THR 49 HG21 THR 49 5.903 -1.718 13.348 848 HG22 THR 49 HG22 THR 49 4.874 -1.452 14.754 849 HG23 THR 49 HG23 THR 49 6.626 -1.337 14.914 850 H LEU 50 HN LEU 50 3.100 1.672 14.576 851 HA LEU 50 HA LEU 50 1.984 0.802 17.061 852 HB2 LEU 50 HB2 LEU 50 0.801 1.942 14.567 853 HB3 LEU 50 HB1 LEU 50 -0.207 1.225 15.806 854 HG LEU 50 HG LEU 50 0.871 2.871 17.417 855 HD11 LEU 50 HD11 LEU 50 1.682 4.202 14.874 856 HD12 LEU 50 HD12 LEU 50 2.757 3.484 16.078 857 HD13 LEU 50 HD13 LEU 50 1.792 4.907 16.494 858 HD21 LEU 50 HD21 LEU 50 -1.347 3.045 16.675 859 HD22 LEU 50 HD22 LEU 50 -0.849 3.870 15.188 860 HD23 LEU 50 HD23 LEU 50 -0.635 4.657 16.768 861 H LEU 51 HN LEU 51 2.814 -1.297 16.874 862 HA LEU 51 HA LEU 51 1.598 -2.961 14.852 863 HB2 LEU 51 HB2 LEU 51 3.211 -4.740 15.737 864 HB3 LEU 51 HB1 LEU 51 3.828 -3.433 14.762 865 HG LEU 51 HG LEU 51 4.733 -2.351 16.802 866 HD11 LEU 51 HD11 LEU 51 3.782 -4.808 18.242 867 HD12 LEU 51 HD12 LEU 51 3.156 -3.163 18.438 868 HD13 LEU 51 HD13 LEU 51 4.820 -3.535 18.899 869 HD21 LEU 51 HD21 LEU 51 6.509 -3.973 17.231 870 HD22 LEU 51 HD22 LEU 51 6.140 -3.837 15.512 871 HD23 LEU 51 HD23 LEU 51 5.554 -5.222 16.433 872 H SER 52 HN SER 52 0.991 -5.123 15.351 873 HA SER 52 HA SER 52 0.054 -5.782 17.954 874 HB2 SER 52 HB2 SER 52 -1.825 -4.343 17.052 875 HB3 SER 52 HB1 SER 52 -1.879 -5.353 15.614 876 HG SER 52 HG SER 52 -3.205 -5.736 17.857 877 H ASP 53 HN ASP 53 -1.610 -7.875 16.700 878 HA ASP 53 HA ASP 53 0.576 -9.248 15.400 879 HB2 ASP 53 HB2 ASP 53 -1.794 -10.207 16.863 880 HB3 ASP 53 HB1 ASP 53 -1.035 -11.258 15.666 881 H GLU 54 HN GLU 54 -1.680 -7.338 14.426 882 HA GLU 54 HA GLU 54 -2.793 -8.688 12.184 883 HB2 GLU 54 HB2 GLU 54 -3.193 -6.438 11.264 884 HB3 GLU 54 HB1 GLU 54 -3.617 -6.464 12.968 885 HG2 GLU 54 HG2 GLU 54 -1.551 -5.333 13.535 886 HG3 GLU 54 HG1 GLU 54 -1.020 -5.417 11.867 887 H ASP 55 HN ASP 55 0.149 -7.063 12.943 888 HA ASP 55 HA ASP 55 1.446 -6.817 10.527 889 HB2 ASP 55 HB2 ASP 55 2.604 -7.433 13.251 890 HB3 ASP 55 HB1 ASP 55 3.500 -6.782 11.881 891 H ALA 56 HN ALA 56 1.113 -9.461 12.722 892 HA ALA 56 HA ALA 56 3.004 -11.224 11.566 893 HB1 ALA 56 HB1 ALA 56 1.901 -12.984 12.843 894 HB2 ALA 56 HB2 ALA 56 0.546 -11.909 13.169 895 HB3 ALA 56 HB3 ALA 56 2.139 -11.541 13.830 896 H GLU 57 HN GLU 57 -0.217 -10.376 10.606 897 HA GLU 57 HA GLU 57 -0.564 -12.696 8.892 898 HB2 GLU 57 HB2 GLU 57 -2.510 -11.759 10.068 899 HB3 GLU 57 HB1 GLU 57 -2.208 -10.193 9.349 900 HG2 GLU 57 HG2 GLU 57 -4.058 -11.185 8.217 901 HG3 GLU 57 HG1 GLU 57 -2.684 -11.183 7.127 902 H LEU 58 HN LEU 58 -0.132 -9.197 8.684 903 HA LEU 58 HA LEU 58 -0.119 -9.038 5.893 904 HB2 LEU 58 HB2 LEU 58 0.987 -7.179 7.969 905 HB3 LEU 58 HB1 LEU 58 1.230 -6.884 6.280 906 HG LEU 58 HG LEU 58 -1.176 -6.701 5.902 907 HD11 LEU 58 HD11 LEU 58 -2.769 -6.584 7.723 908 HD12 LEU 58 HD12 LEU 58 -1.511 -7.069 8.860 909 HD13 LEU 58 HD13 LEU 58 -2.036 -8.185 7.599 910 HD21 LEU 58 HD21 LEU 58 -1.542 -4.601 7.063 911 HD22 LEU 58 HD22 LEU 58 0.107 -4.717 6.441 912 HD23 LEU 58 HD23 LEU 58 -0.209 -4.971 8.157 913 H VAL 59 HN VAL 59 2.512 -9.757 8.089 914 HA VAL 59 HA VAL 59 4.547 -9.403 6.148 915 HB VAL 59 HB VAL 59 6.088 -10.589 7.605 916 HG11 VAL 59 HG11 VAL 59 4.294 -8.771 9.121 917 HG12 VAL 59 HG12 VAL 59 5.665 -8.330 8.102 918 HG13 VAL 59 HG13 VAL 59 5.927 -9.242 9.590 919 HG21 VAL 59 HG21 VAL 59 5.359 -11.577 9.739 920 HG22 VAL 59 HG22 VAL 59 4.716 -12.435 8.344 921 HG23 VAL 59 HG23 VAL 59 3.673 -11.342 9.262 922 H GLU 60 HN GLU 60 2.480 -12.161 6.876 923 HA GLU 60 HA GLU 60 4.083 -13.750 5.150 924 HB2 GLU 60 HB2 GLU 60 2.382 -15.548 5.399 925 HB3 GLU 60 HB1 GLU 60 3.048 -14.984 6.916 926 HG2 GLU 60 HG2 GLU 60 1.051 -13.777 7.407 927 HG3 GLU 60 HG1 GLU 60 0.393 -14.134 5.807 928 H ILE 61 HN ILE 61 1.267 -11.793 4.855 929 HA ILE 61 HA ILE 61 0.425 -12.719 2.310 930 HB ILE 61 HB ILE 61 0.047 -9.959 3.536 931 HG12 ILE 61 HG12 ILE 61 -1.828 -12.343 3.493 932 HG13 ILE 61 HG11 ILE 61 -0.901 -11.814 4.893 933 HG21 ILE 61 HG21 ILE 61 -1.413 -11.287 1.248 934 HG22 ILE 61 HG22 ILE 61 -0.296 -9.928 1.115 935 HG23 ILE 61 HG23 ILE 61 -1.832 -9.728 1.962 936 HD11 ILE 61 HD11 ILE 61 -3.044 -10.228 3.491 937 HD12 ILE 61 HD12 ILE 61 -2.145 -9.713 4.920 938 HD13 ILE 61 HD13 ILE 61 -3.229 -11.103 5.010 939 H VAL 62 HN VAL 62 2.681 -10.179 3.293 940 HA VAL 62 HA VAL 62 3.095 -9.293 0.647 941 HB VAL 62 HB VAL 62 3.525 -7.717 2.503 942 HG11 VAL 62 HG11 VAL 62 5.463 -7.882 3.941 943 HG12 VAL 62 HG12 VAL 62 5.838 -9.464 3.247 944 HG13 VAL 62 HG13 VAL 62 4.346 -9.230 4.161 945 HG21 VAL 62 HG21 VAL 62 4.725 -7.337 0.388 946 HG22 VAL 62 HG22 VAL 62 6.072 -8.293 0.993 947 HG23 VAL 62 HG23 VAL 62 5.648 -6.770 1.780 948 H LYS 63 HN LYS 63 5.056 -11.385 2.750 949 HA LYS 63 HA LYS 63 7.129 -11.833 0.904 950 HB2 LYS 63 HB2 LYS 63 7.760 -13.737 2.246 951 HB3 LYS 63 HB1 LYS 63 7.308 -12.398 3.295 952 HG2 LYS 63 HG2 LYS 63 5.120 -13.412 3.609 953 HG3 LYS 63 HG1 LYS 63 5.611 -14.789 2.636 954 HD2 LYS 63 HD2 LYS 63 6.891 -13.904 5.235 955 HD3 LYS 63 HD1 LYS 63 5.830 -15.294 5.023 956 HE2 LYS 63 HE2 LYS 63 7.458 -16.230 3.401 957 HE3 LYS 63 HE1 LYS 63 8.523 -14.893 3.751 958 HZ1 LYS 63 HZ1 LYS 63 8.718 -15.545 6.011 959 HZ2 LYS 63 HZ2 LYS 63 9.101 -16.881 5.065 960 HZ3 LYS 63 HZ3 LYS 63 7.604 -16.791 5.836 961 H GLU 64 HN GLU 64 3.980 -13.226 1.258 962 HA GLU 64 HA GLU 64 4.168 -15.464 -0.418 963 HB2 GLU 64 HB2 GLU 64 2.320 -15.066 1.117 964 HB3 GLU 64 HB1 GLU 64 1.868 -13.628 0.220 965 HG2 GLU 64 HG2 GLU 64 0.373 -15.301 -0.396 966 HG3 GLU 64 HG1 GLU 64 1.480 -15.069 -1.735 967 H ARG 65 HN ARG 65 2.766 -12.243 -1.039 968 HA ARG 65 HA ARG 65 2.492 -12.748 -3.804 969 HB2 ARG 65 HB2 ARG 65 2.409 -10.119 -2.333 970 HB3 ARG 65 HB1 ARG 65 1.981 -10.326 -4.024 971 HG2 ARG 65 HG2 ARG 65 0.217 -11.934 -3.315 972 HG3 ARG 65 HG1 ARG 65 0.596 -11.527 -1.640 973 HD2 ARG 65 HD2 ARG 65 0.107 -9.158 -2.157 974 HD3 ARG 65 HD1 ARG 65 -0.378 -9.643 -3.780 975 HE ARG 65 HE ARG 65 -1.750 -11.097 -1.772 976 HH11 ARG 65 HH11 ARG 65 -1.762 -8.006 -3.560 977 HH12 ARG 65 HH12 ARG 65 -3.380 -7.634 -3.185 978 HH21 ARG 65 HH21 ARG 65 -4.037 -10.543 -1.279 979 HH22 ARG 65 HH22 ARG 65 -4.663 -9.089 -1.929 980 H LEU 66 HN LEU 66 5.113 -11.824 -1.963 981 HA LEU 66 HA LEU 66 6.517 -10.462 -4.052 982 HB2 LEU 66 HB2 LEU 66 7.568 -11.651 -1.500 983 HB3 LEU 66 HB1 LEU 66 8.611 -10.895 -2.684 984 HG LEU 66 HG LEU 66 6.394 -9.542 -1.144 985 HD11 LEU 66 HD11 LEU 66 8.208 -8.299 -0.091 986 HD12 LEU 66 HD12 LEU 66 9.382 -9.280 -0.969 987 HD13 LEU 66 HD13 LEU 66 8.326 -10.031 0.229 988 HD21 LEU 66 HD21 LEU 66 7.262 -7.458 -2.147 989 HD22 LEU 66 HD22 LEU 66 6.576 -8.542 -3.349 990 HD23 LEU 66 HD23 LEU 66 8.329 -8.416 -3.175 991 H ARG 67 HN ARG 67 5.767 -13.719 -3.842 992 HA ARG 67 HA ARG 67 8.187 -14.442 -5.262 993 HB2 ARG 67 HB2 ARG 67 7.301 -16.761 -5.380 994 HB3 ARG 67 HB1 ARG 67 7.479 -16.169 -3.751 995 HG2 ARG 67 HG2 ARG 67 4.926 -15.581 -4.060 996 HG3 ARG 67 HG1 ARG 67 5.027 -16.843 -5.292 997 HD2 ARG 67 HD2 ARG 67 4.366 -17.733 -3.081 998 HD3 ARG 67 HD1 ARG 67 5.900 -18.416 -3.636 999 HE ARG 67 HE ARG 67 6.688 -16.292 -2.205 1000 HH11 ARG 67 HH11 ARG 67 4.488 -18.910 -1.288 1001 HH12 ARG 67 HH12 ARG 67 4.915 -18.841 0.366 1002 HH21 ARG 67 HH21 ARG 67 7.250 -16.226 0.001 1003 HH22 ARG 67 HH22 ARG 67 6.510 -17.299 1.110 1004 H ASN 68 HN ASN 68 5.079 -13.353 -6.063 1005 HA ASN 68 HA ASN 68 5.902 -13.031 -8.702 1006 HB2 ASN 68 HB2 ASN 68 4.151 -14.282 -9.938 1007 HB3 ASN 68 HB1 ASN 68 5.213 -15.365 -9.062 1008 HD21 ASN 68 HD21 ASN 68 2.544 -15.760 -10.119 1009 HD22 ASN 68 HD22 ASN 68 1.550 -16.234 -8.787 1010 HA PRO 69 HA PRO 69 2.900 -9.949 -7.352 1011 HB2 PRO 69 HB2 PRO 69 4.755 -7.890 -7.762 1012 HB3 PRO 69 HB1 PRO 69 4.288 -8.585 -6.203 1013 HG2 PRO 69 HG2 PRO 69 6.799 -8.760 -7.493 1014 HG3 PRO 69 HG1 PRO 69 6.293 -9.641 -6.044 1015 HD2 PRO 69 HD2 PRO 69 6.471 -10.582 -8.857 1016 HD3 PRO 69 HD1 PRO 69 6.534 -11.497 -7.339 1017 H LYS 70 HN LYS 70 5.369 -8.977 -9.766 1018 HA LYS 70 HA LYS 70 5.297 -8.021 -11.757 1019 HB2 LYS 70 HB2 LYS 70 2.532 -9.239 -11.929 1020 HB3 LYS 70 HB1 LYS 70 3.185 -8.243 -13.210 1021 HG2 LYS 70 HG2 LYS 70 3.430 -10.530 -13.798 1022 HG3 LYS 70 HG1 LYS 70 5.033 -9.882 -13.468 1023 HD2 LYS 70 HD2 LYS 70 5.023 -10.961 -11.294 1024 HD3 LYS 70 HD1 LYS 70 3.386 -11.554 -11.564 1025 HE2 LYS 70 HE2 LYS 70 5.854 -12.266 -13.156 1026 HE3 LYS 70 HE1 LYS 70 5.005 -13.307 -12.018 1027 HZ1 LYS 70 HZ1 LYS 70 3.890 -12.263 -14.569 1028 HZ2 LYS 70 HZ2 LYS 70 3.076 -13.293 -13.504 1029 HZ3 LYS 70 HZ3 LYS 70 4.458 -13.821 -14.306 1030 HA PRO 71 HA PRO 71 3.308 -4.363 -10.079 1031 HB2 PRO 71 HB2 PRO 71 5.420 -2.735 -10.153 1032 HB3 PRO 71 HB1 PRO 71 5.216 -3.961 -8.897 1033 HG2 PRO 71 HG2 PRO 71 6.955 -4.004 -11.323 1034 HG3 PRO 71 HG1 PRO 71 7.286 -4.580 -9.678 1035 HD2 PRO 71 HD2 PRO 71 6.502 -6.203 -11.799 1036 HD3 PRO 71 HD1 PRO 71 6.341 -6.611 -10.084 1037 H VAL 72 HN VAL 72 2.501 -2.623 -11.007 1038 HA VAL 72 HA VAL 72 3.108 -1.998 -13.806 1039 HB VAL 72 HB VAL 72 0.412 -1.815 -12.400 1040 HG11 VAL 72 HG11 VAL 72 0.674 -0.134 -14.140 1041 HG12 VAL 72 HG12 VAL 72 -0.509 -1.349 -14.621 1042 HG13 VAL 72 HG13 VAL 72 1.117 -1.387 -15.300 1043 HG21 VAL 72 HG21 VAL 72 -0.306 -3.667 -13.860 1044 HG22 VAL 72 HG22 VAL 72 0.993 -4.149 -12.770 1045 HG23 VAL 72 HG23 VAL 72 1.346 -3.817 -14.464 1046 H ARG 73 HN ARG 73 4.152 -0.099 -13.738 1047 HA ARG 73 HA ARG 73 4.042 1.641 -11.478 1048 HB2 ARG 73 HB2 ARG 73 6.059 1.222 -13.057 1049 HB3 ARG 73 HB1 ARG 73 5.249 2.290 -14.176 1050 HG2 ARG 73 HG2 ARG 73 6.083 3.122 -11.396 1051 HG3 ARG 73 HG1 ARG 73 7.094 3.328 -12.816 1052 HD2 ARG 73 HD2 ARG 73 4.370 4.555 -12.369 1053 HD3 ARG 73 HD1 ARG 73 5.918 5.392 -12.249 1054 HE ARG 73 HE ARG 73 6.014 4.430 -14.721 1055 HH11 ARG 73 HH11 ARG 73 3.429 6.242 -13.076 1056 HH12 ARG 73 HH12 ARG 73 2.884 6.983 -14.528 1057 HH21 ARG 73 HH21 ARG 73 5.187 5.457 -16.666 1058 HH22 ARG 73 HH22 ARG 73 3.881 6.543 -16.559 1059 H VAL 74 HN VAL 74 2.555 3.058 -11.112 1060 HA VAL 74 HA VAL 74 1.066 4.179 -13.359 1061 HB VAL 74 HB VAL 74 -1.034 4.054 -12.000 1062 HG11 VAL 74 HG11 VAL 74 0.273 1.400 -12.559 1063 HG12 VAL 74 HG12 VAL 74 -0.621 2.385 -13.718 1064 HG13 VAL 74 HG13 VAL 74 -1.456 1.666 -12.340 1065 HG21 VAL 74 HG21 VAL 74 -1.133 2.523 -10.097 1066 HG22 VAL 74 HG22 VAL 74 -0.041 3.876 -9.792 1067 HG23 VAL 74 HG23 VAL 74 0.613 2.289 -10.196 1068 H THR 75 HN THR 75 -0.547 5.830 -12.251 1069 HA THR 75 HA THR 75 0.833 7.605 -10.390 1070 HB THR 75 HB THR 75 -0.214 9.484 -11.815 1071 HG1 THR 75 HG1 THR 75 -0.411 7.301 -13.633 1072 HG21 THR 75 HG21 THR 75 1.685 9.576 -13.378 1073 HG22 THR 75 HG22 THR 75 2.045 7.885 -13.028 1074 HG23 THR 75 HG23 THR 75 2.216 9.099 -11.766 1075 H LEU 76 HN LEU 76 -0.854 9.261 -9.547 1076 HA LEU 76 HA LEU 76 -3.120 7.730 -8.618 1077 HB2 LEU 76 HB2 LEU 76 -2.211 10.547 -8.087 1078 HB3 LEU 76 HB1 LEU 76 -3.588 9.790 -7.297 1079 HG LEU 76 HG LEU 76 -0.826 8.693 -7.194 1080 HD11 LEU 76 HD11 LEU 76 -0.682 9.718 -4.929 1081 HD12 LEU 76 HD12 LEU 76 -2.245 10.488 -5.194 1082 HD13 LEU 76 HD13 LEU 76 -0.854 10.952 -6.176 1083 HD21 LEU 76 HD21 LEU 76 -1.679 7.504 -5.227 1084 HD22 LEU 76 HD22 LEU 76 -2.561 7.104 -6.695 1085 HD23 LEU 76 HD23 LEU 76 -3.274 8.204 -5.509 1086 H ASP 77 HN ASP 77 -2.406 10.268 -10.798 1087 HA ASP 77 HA ASP 77 -4.952 11.314 -11.283 1088 HB2 ASP 77 HB2 ASP 77 -2.940 12.433 -12.052 1089 HB3 ASP 77 HB1 ASP 77 -2.578 11.092 -13.134 1090 H GLU 78 HN GLU 78 -3.385 8.444 -12.532 1091 HA GLU 78 HA GLU 78 -5.446 8.077 -14.546 1092 HB2 GLU 78 HB2 GLU 78 -4.187 6.166 -15.285 1093 HB3 GLU 78 HB1 GLU 78 -3.100 7.525 -15.050 1094 HG2 GLU 78 HG2 GLU 78 -2.414 6.608 -12.902 1095 HG3 GLU 78 HG1 GLU 78 -3.490 5.237 -13.145 1096 H LEU 79 HN LEU 79 -5.147 7.379 -11.271 1097 HA LEU 79 HA LEU 79 -6.506 4.856 -11.377 1098 HB2 LEU 79 HB2 LEU 79 -6.105 6.687 -9.014 1099 HB3 LEU 79 HB1 LEU 79 -6.656 5.029 -8.943 1100 HG LEU 79 HG LEU 79 -3.910 6.017 -9.681 1101 HD11 LEU 79 HD11 LEU 79 -4.338 6.000 -7.325 1102 HD12 LEU 79 HD12 LEU 79 -3.221 4.700 -7.744 1103 HD13 LEU 79 HD13 LEU 79 -4.912 4.335 -7.406 1104 HD21 LEU 79 HD21 LEU 79 -4.967 3.193 -9.747 1105 HD22 LEU 79 HD22 LEU 79 -3.274 3.658 -9.917 1106 HD23 LEU 79 HD23 LEU 79 -4.448 4.148 -11.138 Start of MODEL 8 1 H MET 1 H MET 1 4.365 15.554 -5.271 2 HA MET 1 HA MET 1 5.085 13.225 -4.842 3 HB2 MET 1 HB2 MET 1 4.488 14.010 -7.705 4 HB3 MET 1 HB1 MET 1 4.496 12.357 -7.130 5 HG2 MET 1 HG2 MET 1 2.668 12.853 -5.611 6 HG3 MET 1 HG1 MET 1 2.688 14.537 -6.135 7 HE1 MET 1 HE1 MET 1 0.030 14.159 -6.529 8 HE2 MET 1 HE2 MET 1 0.162 12.435 -6.174 9 HE3 MET 1 HE3 MET 1 -0.614 12.967 -7.661 10 H ALA 2 HN ALA 2 7.157 12.718 -4.336 11 HA ALA 2 HA ALA 2 9.206 13.043 -6.366 12 HB1 ALA 2 HB1 ALA 2 9.396 11.893 -3.579 13 HB2 ALA 2 HB2 ALA 2 9.689 13.573 -4.003 14 HB3 ALA 2 HB3 ALA 2 10.750 12.311 -4.631 15 H TYR 3 HN TYR 3 7.363 10.574 -4.786 16 HA TYR 3 HA TYR 3 8.868 8.480 -6.137 17 HB2 TYR 3 HB2 TYR 3 6.788 8.341 -3.953 18 HB3 TYR 3 HB1 TYR 3 7.512 6.927 -4.702 19 HD1 TYR 3 HD2 TYR 3 8.461 10.058 -2.896 20 HD2 TYR 3 HD1 TYR 3 9.447 6.011 -3.749 21 HE1 TYR 3 HE2 TYR 3 10.328 10.189 -1.316 22 HE2 TYR 3 HE1 TYR 3 11.326 6.133 -2.165 23 HH TYR 3 HH TYR 3 11.731 8.792 -0.005 24 H PHE 4 HN PHE 4 8.082 7.093 -7.542 25 HA PHE 4 HA PHE 4 5.665 7.792 -8.958 26 HB2 PHE 4 HB2 PHE 4 7.475 5.375 -9.320 27 HB3 PHE 4 HB1 PHE 4 6.245 5.920 -10.449 28 HD1 PHE 4 HD2 PHE 4 6.565 8.335 -11.364 29 HD2 PHE 4 HD1 PHE 4 9.662 6.016 -9.622 30 HE1 PHE 4 HE2 PHE 4 8.247 9.728 -12.502 31 HE2 PHE 4 HE1 PHE 4 11.348 7.397 -10.747 32 HZ PHE 4 HZ PHE 4 10.653 9.251 -12.186 33 H LEU 5 HN LEU 5 4.126 5.726 -9.491 34 HA LEU 5 HA LEU 5 3.624 4.497 -6.897 35 HB2 LEU 5 HB2 LEU 5 2.005 6.205 -7.494 36 HB3 LEU 5 HB1 LEU 5 1.735 5.436 -9.037 37 HG LEU 5 HG LEU 5 0.710 3.538 -7.943 38 HD11 LEU 5 HD11 LEU 5 0.201 3.627 -5.534 39 HD12 LEU 5 HD12 LEU 5 1.144 5.114 -5.392 40 HD13 LEU 5 HD13 LEU 5 1.940 3.598 -5.817 41 HD21 LEU 5 HD21 LEU 5 -0.686 5.343 -8.649 42 HD22 LEU 5 HD22 LEU 5 -0.330 6.232 -7.177 43 HD23 LEU 5 HD23 LEU 5 -1.280 4.756 -7.089 44 H ASP 6 HN ASP 6 3.398 2.333 -6.859 45 HA ASP 6 HA ASP 6 3.247 0.866 -9.426 46 HB2 ASP 6 HB2 ASP 6 5.461 0.811 -7.538 47 HB3 ASP 6 HB1 ASP 6 4.683 -0.762 -7.610 48 H PHE 7 HN PHE 7 2.104 -1.076 -9.304 49 HA PHE 7 HA PHE 7 0.994 -1.871 -6.707 50 HB2 PHE 7 HB2 PHE 7 -0.574 -1.096 -9.117 51 HB3 PHE 7 HB1 PHE 7 -1.182 -2.406 -8.123 52 HD1 PHE 7 HD2 PHE 7 -0.383 1.184 -8.218 53 HD2 PHE 7 HD1 PHE 7 -2.170 -1.971 -6.013 54 HE1 PHE 7 HE2 PHE 7 -1.467 2.823 -6.749 55 HE2 PHE 7 HE1 PHE 7 -3.260 -0.331 -4.541 56 HZ PHE 7 HZ PHE 7 -2.910 2.068 -4.909 57 H ASP 8 HN ASP 8 0.752 -3.953 -6.401 58 HA ASP 8 HA ASP 8 1.842 -5.924 -8.134 59 HB2 ASP 8 HB2 ASP 8 1.984 -6.611 -5.933 60 HB3 ASP 8 HB1 ASP 8 0.497 -5.801 -5.483 61 H GLU 9 HN GLU 9 0.729 -7.560 -9.329 62 HA GLU 9 HA GLU 9 -1.420 -6.750 -10.865 63 HB2 GLU 9 HB2 GLU 9 0.284 -8.959 -10.741 64 HB3 GLU 9 HB1 GLU 9 -1.333 -9.630 -10.631 65 HG2 GLU 9 HG2 GLU 9 -0.424 -7.755 -12.800 66 HG3 GLU 9 HG1 GLU 9 -0.400 -9.505 -12.941 67 H ARG 10 HN ARG 10 -1.472 -8.534 -7.807 68 HA ARG 10 HA ARG 10 -4.281 -9.183 -8.040 69 HB2 ARG 10 HB2 ARG 10 -2.608 -9.194 -5.520 70 HB3 ARG 10 HB1 ARG 10 -4.088 -10.087 -5.819 71 HG2 ARG 10 HG2 ARG 10 -1.473 -10.572 -7.228 72 HG3 ARG 10 HG1 ARG 10 -2.058 -11.492 -5.843 73 HD2 ARG 10 HD2 ARG 10 -3.960 -12.261 -7.142 74 HD3 ARG 10 HD1 ARG 10 -3.467 -11.245 -8.494 75 HE ARG 10 HE ARG 10 -1.487 -12.586 -8.699 76 HH11 ARG 10 HH11 ARG 10 -4.007 -14.038 -6.684 77 HH12 ARG 10 HH12 ARG 10 -3.602 -15.649 -7.078 78 HH21 ARG 10 HH21 ARG 10 -0.932 -14.777 -9.240 79 HH22 ARG 10 HH22 ARG 10 -1.803 -16.078 -8.577 80 H ALA 11 HN ALA 11 -2.255 -6.856 -6.378 81 HA ALA 11 HA ALA 11 -4.165 -5.470 -4.872 82 HB1 ALA 11 HB1 ALA 11 -1.651 -4.322 -6.073 83 HB2 ALA 11 HB2 ALA 11 -1.737 -5.236 -4.569 84 HB3 ALA 11 HB3 ALA 11 -2.546 -3.674 -4.697 85 H LEU 12 HN LEU 12 -3.340 -5.155 -8.224 86 HA LEU 12 HA LEU 12 -4.635 -2.760 -8.929 87 HB2 LEU 12 HB2 LEU 12 -4.527 -5.346 -10.470 88 HB3 LEU 12 HB1 LEU 12 -4.957 -3.789 -11.154 89 HG LEU 12 HG LEU 12 -2.240 -4.569 -10.076 90 HD11 LEU 12 HD11 LEU 12 -2.880 -5.747 -12.129 91 HD12 LEU 12 HD12 LEU 12 -1.570 -4.601 -12.401 92 HD13 LEU 12 HD13 LEU 12 -3.216 -4.197 -12.900 93 HD21 LEU 12 HD21 LEU 12 -1.479 -2.506 -11.138 94 HD22 LEU 12 HD22 LEU 12 -2.660 -2.179 -9.877 95 HD23 LEU 12 HD23 LEU 12 -3.142 -2.114 -11.575 96 H LYS 13 HN LYS 13 -5.813 -6.014 -8.717 97 HA LYS 13 HA LYS 13 -8.463 -5.423 -9.545 98 HB2 LYS 13 HB2 LYS 13 -7.721 -7.828 -7.914 99 HB3 LYS 13 HB1 LYS 13 -8.904 -7.695 -9.204 100 HG2 LYS 13 HG2 LYS 13 -5.901 -7.708 -9.526 101 HG3 LYS 13 HG1 LYS 13 -6.998 -9.027 -9.899 102 HD2 LYS 13 HD2 LYS 13 -7.926 -7.844 -11.747 103 HD3 LYS 13 HD1 LYS 13 -7.166 -6.332 -11.237 104 HE2 LYS 13 HE2 LYS 13 -4.999 -7.209 -11.656 105 HE3 LYS 13 HE1 LYS 13 -5.642 -8.802 -12.064 106 HZ1 LYS 13 HZ1 LYS 13 -5.065 -7.565 -14.029 107 HZ2 LYS 13 HZ2 LYS 13 -6.023 -6.270 -13.567 108 HZ3 LYS 13 HZ3 LYS 13 -6.747 -7.729 -13.989 109 H GLU 14 HN GLU 14 -6.711 -5.461 -6.574 110 HA GLU 14 HA GLU 14 -8.786 -5.753 -4.732 111 HB2 GLU 14 HB2 GLU 14 -6.161 -4.338 -4.425 112 HB3 GLU 14 HB1 GLU 14 -7.272 -4.648 -3.104 113 HG2 GLU 14 HG2 GLU 14 -5.946 -6.755 -4.817 114 HG3 GLU 14 HG1 GLU 14 -5.396 -6.256 -3.226 115 H TRP 15 HN TRP 15 -7.421 -2.715 -6.079 116 HA TRP 15 HA TRP 15 -9.284 -1.247 -4.459 117 HB2 TRP 15 HB2 TRP 15 -8.479 0.808 -5.352 118 HB3 TRP 15 HB1 TRP 15 -7.074 -0.236 -5.349 119 HD1 TRP 15 HD1 TRP 15 -9.706 1.132 -7.872 120 HE1 TRP 15 HE1 TRP 15 -8.574 1.375 -10.166 121 HE3 TRP 15 HE3 TRP 15 -5.128 -0.806 -6.729 122 HZ2 TRP 15 HZ2 TRP 15 -6.101 0.845 -11.329 123 HZ3 TRP 15 HZ3 TRP 15 -3.431 -0.870 -8.490 124 HH2 TRP 15 HH2 TRP 15 -3.906 -0.068 -10.745 125 H ARG 16 HN ARG 16 -9.415 -2.802 -7.423 126 HA ARG 16 HA ARG 16 -11.643 -1.272 -8.403 127 HB2 ARG 16 HB2 ARG 16 -10.497 -3.828 -9.517 128 HB3 ARG 16 HB1 ARG 16 -11.579 -2.707 -10.347 129 HG2 ARG 16 HG2 ARG 16 -9.859 -0.938 -10.100 130 HG3 ARG 16 HG1 ARG 16 -8.796 -2.138 -9.395 131 HD2 ARG 16 HD2 ARG 16 -8.221 -1.809 -11.666 132 HD3 ARG 16 HD1 ARG 16 -8.893 -3.430 -11.482 133 HE ARG 16 HE ARG 16 -10.993 -2.488 -12.361 134 HH11 ARG 16 HH11 ARG 16 -7.909 -0.952 -13.193 135 HH12 ARG 16 HH12 ARG 16 -8.506 -0.132 -14.546 136 HH21 ARG 16 HH21 ARG 16 -11.819 -1.397 -14.273 137 HH22 ARG 16 HH22 ARG 16 -10.790 -0.400 -15.188 138 H LYS 17 HN LYS 17 -11.291 -3.880 -6.309 139 HA LYS 17 HA LYS 17 -14.050 -4.725 -6.755 140 HB2 LYS 17 HB2 LYS 17 -13.484 -6.640 -5.200 141 HB3 LYS 17 HB1 LYS 17 -12.598 -6.620 -6.715 142 HG2 LYS 17 HG2 LYS 17 -10.891 -7.105 -5.270 143 HG3 LYS 17 HG1 LYS 17 -10.809 -5.356 -5.291 144 HD2 LYS 17 HD2 LYS 17 -10.646 -5.809 -3.037 145 HD3 LYS 17 HD1 LYS 17 -12.380 -5.540 -3.209 146 HE2 LYS 17 HE2 LYS 17 -11.864 -7.543 -1.856 147 HE3 LYS 17 HE1 LYS 17 -12.775 -7.929 -3.318 148 HZ1 LYS 17 HZ1 LYS 17 -9.797 -8.142 -3.199 149 HZ2 LYS 17 HZ2 LYS 17 -10.821 -8.765 -4.358 150 HZ3 LYS 17 HZ3 LYS 17 -10.818 -9.418 -2.812 151 H LEU 18 HN LEU 18 -12.563 -2.441 -5.040 152 HA LEU 18 HA LEU 18 -14.505 -2.720 -2.902 153 HB2 LEU 18 HB2 LEU 18 -13.012 -1.294 -1.463 154 HB3 LEU 18 HB1 LEU 18 -12.423 -2.896 -1.814 155 HG LEU 18 HG LEU 18 -10.972 -1.816 -3.590 156 HD11 LEU 18 HD11 LEU 18 -12.077 0.326 -3.762 157 HD12 LEU 18 HD12 LEU 18 -10.394 0.530 -3.283 158 HD13 LEU 18 HD13 LEU 18 -11.675 0.687 -2.085 159 HD21 LEU 18 HD21 LEU 18 -10.079 -2.666 -1.527 160 HD22 LEU 18 HD22 LEU 18 -10.479 -1.155 -0.696 161 HD23 LEU 18 HD23 LEU 18 -9.270 -1.169 -1.983 162 H GLY 19 HN GLY 19 -14.913 -0.481 -1.840 163 HA2 GLY 19 HA2 GLY 19 -16.541 0.827 -3.698 164 HA3 GLY 19 HA1 GLY 19 -16.221 1.343 -2.055 165 H SER 20 HN SER 20 -16.632 2.935 -4.399 166 HA SER 20 HA SER 20 -14.374 3.976 -5.567 167 HB2 SER 20 HB2 SER 20 -16.018 5.974 -5.803 168 HB3 SER 20 HB1 SER 20 -16.413 4.433 -6.574 169 HG SER 20 HG SER 20 -18.010 5.621 -5.086 170 H THR 21 HN THR 21 -16.150 5.111 -2.693 171 HA THR 21 HA THR 21 -14.474 7.332 -2.244 172 HB THR 21 HB THR 21 -16.130 5.906 -0.142 173 HG1 THR 21 HG1 THR 21 -17.716 6.334 -1.459 174 HG21 THR 21 HG21 THR 21 -14.661 7.741 0.641 175 HG22 THR 21 HG22 THR 21 -16.364 8.169 0.786 176 HG23 THR 21 HG23 THR 21 -15.402 8.823 -0.538 177 H VAL 22 HN VAL 22 -14.421 3.992 -1.180 178 HA VAL 22 HA VAL 22 -12.371 4.250 0.737 179 HB VAL 22 HB VAL 22 -13.138 1.820 -0.924 180 HG11 VAL 22 HG11 VAL 22 -11.889 0.496 0.725 181 HG12 VAL 22 HG12 VAL 22 -11.352 1.977 1.514 182 HG13 VAL 22 HG13 VAL 22 -10.826 1.614 -0.130 183 HG21 VAL 22 HG21 VAL 22 -14.893 2.605 0.590 184 HG22 VAL 22 HG22 VAL 22 -13.748 2.550 1.934 185 HG23 VAL 22 HG23 VAL 22 -14.225 1.061 1.129 186 H ARG 23 HN ARG 23 -12.247 3.480 -2.751 187 HA ARG 23 HA ARG 23 -9.446 3.142 -2.791 188 HB2 ARG 23 HB2 ARG 23 -9.527 3.023 -5.134 189 HB3 ARG 23 HB1 ARG 23 -11.139 2.497 -4.684 190 HG2 ARG 23 HG2 ARG 23 -12.027 4.680 -5.218 191 HG3 ARG 23 HG1 ARG 23 -10.410 5.287 -5.549 192 HD2 ARG 23 HD2 ARG 23 -10.301 3.456 -7.346 193 HD3 ARG 23 HD1 ARG 23 -12.033 3.298 -7.069 194 HE ARG 23 HE ARG 23 -11.313 5.997 -7.490 195 HH11 ARG 23 HH11 ARG 23 -11.914 2.966 -9.228 196 HH12 ARG 23 HH12 ARG 23 -12.372 3.721 -10.695 197 HH21 ARG 23 HH21 ARG 23 -11.998 7.036 -9.475 198 HH22 ARG 23 HH22 ARG 23 -12.420 6.118 -10.832 199 H GLU 24 HN GLU 24 -11.478 5.976 -3.118 200 HA GLU 24 HA GLU 24 -9.378 7.644 -3.971 201 HB2 GLU 24 HB2 GLU 24 -12.050 8.327 -2.786 202 HB3 GLU 24 HB1 GLU 24 -10.890 9.533 -3.339 203 HG2 GLU 24 HG2 GLU 24 -12.228 7.417 -5.003 204 HG3 GLU 24 HG1 GLU 24 -12.505 9.159 -5.076 205 H GLN 25 HN GLN 25 -10.676 6.929 -0.798 206 HA GLN 25 HA GLN 25 -9.116 8.769 0.633 207 HB2 GLN 25 HB2 GLN 25 -10.155 6.056 1.425 208 HB3 GLN 25 HB1 GLN 25 -9.412 7.195 2.536 209 HG2 GLN 25 HG2 GLN 25 -11.180 8.774 2.167 210 HG3 GLN 25 HG1 GLN 25 -11.888 7.736 0.937 211 HE21 GLN 25 HE21 GLN 25 -12.952 5.923 1.523 212 HE22 GLN 25 HE22 GLN 25 -13.479 5.589 3.137 213 H LEU 26 HN LEU 26 -8.477 5.506 -0.484 214 HA LEU 26 HA LEU 26 -5.950 5.169 0.722 215 HB2 LEU 26 HB2 LEU 26 -7.049 3.976 -1.819 216 HB3 LEU 26 HB1 LEU 26 -5.621 3.411 -0.974 217 HG LEU 26 HG LEU 26 -8.397 3.398 0.210 218 HD11 LEU 26 HD11 LEU 26 -6.813 1.171 -1.034 219 HD12 LEU 26 HD12 LEU 26 -8.287 1.884 -1.680 220 HD13 LEU 26 HD13 LEU 26 -8.333 0.984 -0.164 221 HD21 LEU 26 HD21 LEU 26 -6.628 3.486 1.884 222 HD22 LEU 26 HD22 LEU 26 -5.812 2.134 1.107 223 HD23 LEU 26 HD23 LEU 26 -7.384 1.892 1.868 224 H LYS 27 HN LYS 27 -6.956 6.490 -2.363 225 HA LYS 27 HA LYS 27 -4.389 6.991 -3.410 226 HB2 LYS 27 HB2 LYS 27 -7.080 8.214 -4.018 227 HB3 LYS 27 HB1 LYS 27 -5.622 8.633 -4.903 228 HG2 LYS 27 HG2 LYS 27 -5.391 6.436 -5.765 229 HG3 LYS 27 HG1 LYS 27 -6.595 5.799 -4.649 230 HD2 LYS 27 HD2 LYS 27 -7.470 6.004 -6.943 231 HD3 LYS 27 HD1 LYS 27 -8.352 7.020 -5.810 232 HE2 LYS 27 HE2 LYS 27 -7.046 8.963 -6.578 233 HE3 LYS 27 HE1 LYS 27 -6.208 7.931 -7.735 234 HZ1 LYS 27 HZ1 LYS 27 -8.097 9.186 -8.680 235 HZ2 LYS 27 HZ2 LYS 27 -9.153 8.302 -7.683 236 HZ3 LYS 27 HZ3 LYS 27 -8.245 7.520 -8.872 237 H LYS 28 HN LYS 28 -6.426 8.788 -1.239 238 HA LYS 28 HA LYS 28 -4.859 11.155 -1.261 239 HB2 LYS 28 HB2 LYS 28 -7.014 10.076 0.470 240 HB3 LYS 28 HB1 LYS 28 -5.948 11.230 1.226 241 HG2 LYS 28 HG2 LYS 28 -7.880 12.402 0.479 242 HG3 LYS 28 HG1 LYS 28 -6.553 12.867 -0.564 243 HD2 LYS 28 HD2 LYS 28 -8.542 10.741 -1.357 244 HD3 LYS 28 HD1 LYS 28 -8.864 12.451 -1.612 245 HE2 LYS 28 HE2 LYS 28 -6.786 12.576 -2.978 246 HE3 LYS 28 HE1 LYS 28 -6.591 10.836 -2.776 247 HZ1 LYS 28 HZ1 LYS 28 -8.940 12.142 -4.025 248 HZ2 LYS 28 HZ2 LYS 28 -8.689 10.488 -3.979 249 HZ3 LYS 28 HZ3 LYS 28 -7.675 11.483 -4.893 250 H LYS 29 HN LYS 29 -4.721 8.156 0.561 251 HA LYS 29 HA LYS 29 -2.679 9.094 2.326 252 HB2 LYS 29 HB2 LYS 29 -3.397 6.223 1.660 253 HB3 LYS 29 HB1 LYS 29 -2.476 6.772 3.054 254 HG2 LYS 29 HG2 LYS 29 -5.390 7.298 2.492 255 HG3 LYS 29 HG1 LYS 29 -4.734 6.238 3.735 256 HD2 LYS 29 HD2 LYS 29 -3.756 8.156 4.880 257 HD3 LYS 29 HD1 LYS 29 -4.321 9.228 3.599 258 HE2 LYS 29 HE2 LYS 29 -6.647 8.609 4.138 259 HE3 LYS 29 HE1 LYS 29 -6.056 7.608 5.462 260 HZ1 LYS 29 HZ1 LYS 29 -5.720 10.547 5.216 261 HZ2 LYS 29 HZ2 LYS 29 -5.106 9.599 6.468 262 HZ3 LYS 29 HZ3 LYS 29 -6.769 9.752 6.264 263 H LEU 30 HN LEU 30 -2.779 7.729 -0.801 264 HA LEU 30 HA LEU 30 0.000 7.154 -0.914 265 HB2 LEU 30 HB2 LEU 30 -2.068 7.377 -3.081 266 HB3 LEU 30 HB1 LEU 30 -0.410 6.892 -3.370 267 HG LEU 30 HG LEU 30 -2.399 5.398 -1.650 268 HD11 LEU 30 HD11 LEU 30 -2.970 5.261 -4.001 269 HD12 LEU 30 HD12 LEU 30 -2.349 3.718 -3.417 270 HD13 LEU 30 HD13 LEU 30 -1.321 4.773 -4.389 271 HD21 LEU 30 HD21 LEU 30 0.419 4.696 -2.481 272 HD22 LEU 30 HD22 LEU 30 -0.704 3.617 -1.653 273 HD23 LEU 30 HD23 LEU 30 -0.129 5.071 -0.843 274 H VAL 31 HN VAL 31 -1.994 9.947 -1.717 275 HA VAL 31 HA VAL 31 0.079 11.225 -3.174 276 HB VAL 31 HB VAL 31 -2.377 11.854 -3.397 277 HG11 VAL 31 HG11 VAL 31 -3.337 13.517 -1.923 278 HG12 VAL 31 HG12 VAL 31 -1.906 13.436 -0.896 279 HG13 VAL 31 HG13 VAL 31 -2.954 12.029 -1.048 280 HG21 VAL 31 HG21 VAL 31 -0.673 13.239 -4.423 281 HG22 VAL 31 HG22 VAL 31 -0.461 14.132 -2.920 282 HG23 VAL 31 HG23 VAL 31 -1.982 14.243 -3.804 283 H GLU 32 HN GLU 32 -0.436 10.819 0.204 284 HA GLU 32 HA GLU 32 1.443 12.972 0.760 285 HB2 GLU 32 HB2 GLU 32 1.054 12.435 3.158 286 HB3 GLU 32 HB1 GLU 32 -0.422 12.866 2.313 287 HG2 GLU 32 HG2 GLU 32 -1.063 10.549 2.187 288 HG3 GLU 32 HG1 GLU 32 0.458 10.055 2.922 289 H VAL 33 HN VAL 33 1.281 9.618 0.323 290 HA VAL 33 HA VAL 33 3.648 9.030 1.778 291 HB VAL 33 HB VAL 33 1.576 7.520 1.071 292 HG11 VAL 33 HG11 VAL 33 1.986 7.492 -1.311 293 HG12 VAL 33 HG12 VAL 33 2.122 5.870 -0.628 294 HG13 VAL 33 HG13 VAL 33 3.573 6.781 -1.044 295 HG21 VAL 33 HG21 VAL 33 2.878 5.589 1.637 296 HG22 VAL 33 HG22 VAL 33 3.176 6.999 2.674 297 HG23 VAL 33 HG23 VAL 33 4.353 6.549 1.417 298 H LEU 34 HN LEU 34 2.856 9.872 -1.479 299 HA LEU 34 HA LEU 34 5.356 9.115 -2.630 300 HB2 LEU 34 HB2 LEU 34 3.289 11.066 -3.642 301 HB3 LEU 34 HB1 LEU 34 4.630 10.443 -4.579 302 HG LEU 34 HG LEU 34 2.337 8.817 -3.486 303 HD11 LEU 34 HD11 LEU 34 1.682 8.580 -5.839 304 HD12 LEU 34 HD12 LEU 34 2.987 9.671 -6.303 305 HD13 LEU 34 HD13 LEU 34 1.650 10.267 -5.320 306 HD21 LEU 34 HD21 LEU 34 4.643 8.010 -5.254 307 HD22 LEU 34 HD22 LEU 34 3.247 7.006 -4.878 308 HD23 LEU 34 HD23 LEU 34 4.353 7.480 -3.595 309 H GLU 35 HN GLU 35 4.502 11.548 -0.559 310 HA GLU 35 HA GLU 35 6.568 13.407 -1.390 311 HB2 GLU 35 HB2 GLU 35 4.564 13.467 0.865 312 HB3 GLU 35 HB1 GLU 35 5.647 14.771 0.412 313 HG2 GLU 35 HG2 GLU 35 3.526 13.629 -1.382 314 HG3 GLU 35 HG1 GLU 35 3.301 15.038 -0.352 315 H SER 36 HN SER 36 5.601 11.204 1.185 316 HA SER 36 HA SER 36 8.288 11.025 2.171 317 HB2 SER 36 HB2 SER 36 7.384 13.044 3.316 318 HB3 SER 36 HB1 SER 36 6.043 12.082 3.923 319 HG SER 36 HG SER 36 7.261 11.336 5.428 320 HA PRO 37 HA PRO 37 5.914 7.150 2.719 321 HB2 PRO 37 HB2 PRO 37 7.563 5.486 1.476 322 HB3 PRO 37 HB1 PRO 37 6.517 6.586 0.565 323 HG2 PRO 37 HG2 PRO 37 9.436 6.752 1.098 324 HG3 PRO 37 HG1 PRO 37 8.523 7.269 -0.328 325 HD2 PRO 37 HD2 PRO 37 9.402 8.899 1.803 326 HD3 PRO 37 HD1 PRO 37 8.261 9.368 0.524 327 H ARG 38 HN ARG 38 8.902 8.201 3.938 328 HA ARG 38 HA ARG 38 9.441 5.678 5.292 329 HB2 ARG 38 HB2 ARG 38 10.929 8.295 5.657 330 HB3 ARG 38 HB1 ARG 38 11.451 6.707 6.168 331 HG2 ARG 38 HG2 ARG 38 11.234 7.698 3.328 332 HG3 ARG 38 HG1 ARG 38 12.711 7.401 4.234 333 HD2 ARG 38 HD2 ARG 38 10.672 5.325 3.452 334 HD3 ARG 38 HD1 ARG 38 12.198 5.596 2.630 335 HE ARG 38 HE ARG 38 12.413 4.992 5.447 336 HH11 ARG 38 HH11 ARG 38 12.729 3.780 2.144 337 HH12 ARG 38 HH12 ARG 38 13.143 2.190 2.609 338 HH21 ARG 38 HH21 ARG 38 13.147 2.809 6.081 339 HH22 ARG 38 HH22 ARG 38 13.400 1.642 4.858 340 H ILE 39 HN ILE 39 7.715 5.460 6.635 341 HA ILE 39 HA ILE 39 7.583 7.400 8.836 342 HB ILE 39 HB ILE 39 5.218 5.831 7.730 343 HG12 ILE 39 HG12 ILE 39 5.769 8.795 7.379 344 HG13 ILE 39 HG11 ILE 39 6.055 7.595 6.127 345 HG21 ILE 39 HG21 ILE 39 5.076 6.410 10.114 346 HG22 ILE 39 HG22 ILE 39 3.880 7.287 9.171 347 HG23 ILE 39 HG23 ILE 39 5.334 8.113 9.722 348 HD11 ILE 39 HD11 ILE 39 3.971 8.776 5.760 349 HD12 ILE 39 HD12 ILE 39 3.397 8.285 7.353 350 HD13 ILE 39 HD13 ILE 39 3.663 7.072 6.101 351 H GLU 40 HN GLU 40 8.898 6.133 10.149 352 HA GLU 40 HA GLU 40 8.949 3.320 10.240 353 HB2 GLU 40 HB2 GLU 40 10.191 3.523 12.336 354 HB3 GLU 40 HB1 GLU 40 10.788 4.641 11.119 355 HG2 GLU 40 HG2 GLU 40 9.712 6.488 12.213 356 HG3 GLU 40 HG1 GLU 40 8.902 5.403 13.339 357 H ALA 41 HN ALA 41 6.822 5.460 11.746 358 HA ALA 41 HA ALA 41 5.931 3.876 13.888 359 HB1 ALA 41 HB1 ALA 41 5.505 6.292 13.689 360 HB2 ALA 41 HB2 ALA 41 4.036 5.372 13.998 361 HB3 ALA 41 HB3 ALA 41 4.379 5.970 12.370 362 H ASN 42 HN ASN 42 5.097 3.901 10.480 363 HA ASN 42 HA ASN 42 2.793 2.180 10.943 364 HB2 ASN 42 HB2 ASN 42 3.842 3.538 8.470 365 HB3 ASN 42 HB1 ASN 42 2.440 2.485 8.491 366 HD21 ASN 42 HD21 ASN 42 2.794 5.289 7.842 367 HD22 ASN 42 HD22 ASN 42 1.673 6.176 8.803 368 H LYS 43 HN LYS 43 5.970 1.502 10.818 369 HA LYS 43 HA LYS 43 6.262 -0.212 8.630 370 HB2 LYS 43 HB2 LYS 43 8.310 -0.944 9.571 371 HB3 LYS 43 HB1 LYS 43 8.095 0.726 10.063 372 HG2 LYS 43 HG2 LYS 43 7.340 -0.071 12.283 373 HG3 LYS 43 HG1 LYS 43 7.731 -1.722 11.783 374 HD2 LYS 43 HD2 LYS 43 10.049 -0.934 11.281 375 HD3 LYS 43 HD1 LYS 43 9.620 0.623 11.987 376 HE2 LYS 43 HE2 LYS 43 10.752 -0.593 13.689 377 HE3 LYS 43 HE1 LYS 43 9.044 -0.643 14.094 378 HZ1 LYS 43 HZ1 LYS 43 10.511 -2.813 12.707 379 HZ2 LYS 43 HZ2 LYS 43 8.916 -2.916 13.284 380 HZ3 LYS 43 HZ3 LYS 43 10.204 -2.774 14.344 381 H LEU 44 HN LEU 44 6.337 -2.420 8.417 382 HA LEU 44 HA LEU 44 4.159 -3.740 9.770 383 HB2 LEU 44 HB2 LEU 44 4.520 -3.725 7.260 384 HB3 LEU 44 HB1 LEU 44 5.934 -4.713 7.523 385 HG LEU 44 HG LEU 44 4.499 -6.530 8.390 386 HD11 LEU 44 HD11 LEU 44 2.228 -4.683 7.653 387 HD12 LEU 44 HD12 LEU 44 2.678 -5.179 9.287 388 HD13 LEU 44 HD13 LEU 44 2.076 -6.371 8.140 389 HD21 LEU 44 HD21 LEU 44 3.644 -5.456 5.701 390 HD22 LEU 44 HD22 LEU 44 3.420 -7.106 6.267 391 HD23 LEU 44 HD23 LEU 44 5.044 -6.486 6.002 392 H ARG 45 HN ARG 45 4.433 -5.742 10.849 393 HA ARG 45 HA ARG 45 6.890 -5.715 12.334 394 HB2 ARG 45 HB2 ARG 45 4.897 -5.780 13.651 395 HB3 ARG 45 HB1 ARG 45 4.285 -7.160 12.767 396 HG2 ARG 45 HG2 ARG 45 5.903 -8.599 13.745 397 HG3 ARG 45 HG1 ARG 45 6.721 -7.235 14.510 398 HD2 ARG 45 HD2 ARG 45 5.234 -8.576 16.016 399 HD3 ARG 45 HD1 ARG 45 4.893 -6.851 15.980 400 HE ARG 45 HE ARG 45 2.961 -7.303 14.677 401 HH11 ARG 45 HH11 ARG 45 4.493 -10.288 15.766 402 HH12 ARG 45 HH12 ARG 45 3.047 -11.146 16.004 403 HH21 ARG 45 HH21 ARG 45 0.918 -8.496 14.992 404 HH22 ARG 45 HH22 ARG 45 0.978 -10.119 15.540 405 H GLY 46 HN GLY 46 8.365 -6.468 10.992 406 HA2 GLY 46 HA2 GLY 46 9.653 -8.594 10.943 407 HA3 GLY 46 HA1 GLY 46 8.168 -9.337 10.355 408 H MET 47 HN MET 47 8.083 -6.434 8.971 409 HA MET 47 HA MET 47 9.823 -7.182 6.749 410 HB2 MET 47 HB2 MET 47 6.947 -6.321 6.546 411 HB3 MET 47 HB1 MET 47 8.052 -6.276 5.186 412 HG2 MET 47 HG2 MET 47 7.276 -8.752 6.719 413 HG3 MET 47 HG1 MET 47 6.587 -8.252 5.179 414 HE1 MET 47 HE1 MET 47 7.682 -11.125 5.542 415 HE2 MET 47 HE2 MET 47 8.702 -11.350 4.125 416 HE3 MET 47 HE3 MET 47 7.148 -10.545 3.963 417 HA PRO 48 HA PRO 48 10.860 -2.876 7.761 418 HB2 PRO 48 HB2 PRO 48 13.306 -3.634 6.289 419 HB3 PRO 48 HB1 PRO 48 13.152 -2.974 7.920 420 HG2 PRO 48 HG2 PRO 48 13.861 -5.525 7.530 421 HG3 PRO 48 HG1 PRO 48 12.809 -5.053 8.878 422 HD2 PRO 48 HD2 PRO 48 12.070 -6.271 6.241 423 HD3 PRO 48 HD1 PRO 48 11.495 -6.675 7.873 424 H ASP 49 HN ASP 49 10.957 -1.092 6.395 425 HA ASP 49 HA ASP 49 10.596 0.189 4.591 426 HB2 ASP 49 HB2 ASP 49 12.002 -2.087 3.255 427 HB3 ASP 49 HB1 ASP 49 11.169 -0.923 2.232 428 H CYS 50 HN CYS 50 8.748 -2.115 5.444 429 HA CYS 50 HA CYS 50 6.802 -1.645 3.304 430 HB2 CYS 50 HB2 CYS 50 6.959 -4.003 5.204 431 HB3 CYS 50 HB1 CYS 50 5.820 -3.802 3.875 432 HG CYS 50 HG CYS 50 9.189 -4.098 3.487 433 H TYR 51 HN TYR 51 5.050 -0.555 3.996 434 HA TYR 51 HA TYR 51 4.638 -0.299 6.891 435 HB2 TYR 51 HB2 TYR 51 4.538 1.987 4.901 436 HB3 TYR 51 HB1 TYR 51 4.283 2.099 6.634 437 HD1 TYR 51 HD1 TYR 51 6.190 1.800 8.162 438 HD2 TYR 51 HD2 TYR 51 6.756 1.979 3.970 439 HE1 TYR 51 HE1 TYR 51 8.581 2.206 8.512 440 HE2 TYR 51 HE2 TYR 51 9.165 2.391 4.313 441 HH TYR 51 HH TYR 51 10.657 3.265 6.087 442 H LYS 52 HN LYS 52 2.423 0.407 7.412 443 HA LYS 52 HA LYS 52 0.566 0.015 5.188 444 HB2 LYS 52 HB2 LYS 52 -0.837 -1.447 6.359 445 HB3 LYS 52 HB1 LYS 52 0.721 -1.957 6.974 446 HG2 LYS 52 HG2 LYS 52 -1.043 0.005 8.439 447 HG3 LYS 52 HG1 LYS 52 -1.180 -1.731 8.646 448 HD2 LYS 52 HD2 LYS 52 1.419 -0.272 9.107 449 HD3 LYS 52 HD1 LYS 52 0.188 -0.402 10.361 450 HE2 LYS 52 HE2 LYS 52 0.264 -2.851 10.124 451 HE3 LYS 52 HE1 LYS 52 1.576 -2.683 8.960 452 HZ1 LYS 52 HZ1 LYS 52 2.980 -1.749 10.699 453 HZ2 LYS 52 HZ2 LYS 52 2.323 -3.205 11.224 454 HZ3 LYS 52 HZ3 LYS 52 1.691 -1.750 11.792 455 H ILE 53 HN ILE 53 -1.059 1.459 5.088 456 HA ILE 53 HA ILE 53 -1.308 3.290 7.362 457 HB ILE 53 HB ILE 53 -1.788 4.050 4.447 458 HG12 ILE 53 HG12 ILE 53 0.486 4.878 6.285 459 HG13 ILE 53 HG11 ILE 53 0.629 3.692 4.999 460 HG21 ILE 53 HG21 ILE 53 -2.016 6.349 5.378 461 HG22 ILE 53 HG22 ILE 53 -1.764 5.670 7.003 462 HG23 ILE 53 HG23 ILE 53 -3.186 5.228 6.095 463 HD11 ILE 53 HD11 ILE 53 -0.046 6.610 4.637 464 HD12 ILE 53 HD12 ILE 53 0.119 5.413 3.350 465 HD13 ILE 53 HD13 ILE 53 1.517 5.852 4.328 466 H LYS 54 HN LYS 54 -3.399 3.791 7.947 467 HA LYS 54 HA LYS 54 -5.420 1.996 6.803 468 HB2 LYS 54 HB2 LYS 54 -5.096 3.163 9.528 469 HB3 LYS 54 HB1 LYS 54 -6.499 2.263 8.997 470 HG2 LYS 54 HG2 LYS 54 -5.239 0.266 8.811 471 HG3 LYS 54 HG1 LYS 54 -3.716 1.132 9.051 472 HD2 LYS 54 HD2 LYS 54 -4.300 1.754 11.208 473 HD3 LYS 54 HD1 LYS 54 -5.951 1.156 11.043 474 HE2 LYS 54 HE2 LYS 54 -3.443 -0.519 10.981 475 HE3 LYS 54 HE1 LYS 54 -4.554 -0.361 12.361 476 HZ1 LYS 54 HZ1 LYS 54 -4.926 -2.396 11.087 477 HZ2 LYS 54 HZ2 LYS 54 -5.248 -1.523 9.709 478 HZ3 LYS 54 HZ3 LYS 54 -6.276 -1.395 11.041 479 H LEU 55 HN LEU 55 -7.489 2.732 6.825 480 HA LEU 55 HA LEU 55 -7.912 5.625 6.712 481 HB2 LEU 55 HB2 LEU 55 -9.763 3.348 5.932 482 HB3 LEU 55 HB1 LEU 55 -10.057 5.052 5.645 483 HG LEU 55 HG LEU 55 -8.023 3.289 4.303 484 HD11 LEU 55 HD11 LEU 55 -9.310 3.769 2.298 485 HD12 LEU 55 HD12 LEU 55 -10.440 4.732 3.250 486 HD13 LEU 55 HD13 LEU 55 -10.314 3.000 3.531 487 HD21 LEU 55 HD21 LEU 55 -8.478 6.260 4.040 488 HD22 LEU 55 HD22 LEU 55 -7.506 5.297 2.928 489 HD23 LEU 55 HD23 LEU 55 -7.016 5.460 4.613 490 H ARG 56 HN ARG 56 -8.384 6.303 8.661 491 HA ARG 56 HA ARG 56 -8.537 4.530 10.822 492 HB2 ARG 56 HB2 ARG 56 -9.230 7.457 10.917 493 HB3 ARG 56 HB1 ARG 56 -8.725 6.449 12.260 494 HG2 ARG 56 HG2 ARG 56 -7.064 7.346 9.915 495 HG3 ARG 56 HG1 ARG 56 -6.885 7.822 11.602 496 HD2 ARG 56 HD2 ARG 56 -6.378 5.085 10.414 497 HD3 ARG 56 HD1 ARG 56 -5.159 6.225 10.967 498 HE ARG 56 HE ARG 56 -7.091 5.368 12.939 499 HH11 ARG 56 HH11 ARG 56 -3.830 4.855 11.590 500 HH12 ARG 56 HH12 ARG 56 -3.303 3.971 12.951 501 HH21 ARG 56 HH21 ARG 56 -6.322 4.125 14.736 502 HH22 ARG 56 HH22 ARG 56 -4.720 3.537 14.729 503 H SER 57 HN SER 57 -11.128 6.371 9.299 504 HA SER 57 HA SER 57 -12.986 5.467 11.326 505 HB2 SER 57 HB2 SER 57 -13.037 7.805 10.456 506 HB3 SER 57 HB1 SER 57 -13.459 7.187 8.868 507 HG SER 57 HG SER 57 -14.938 6.973 11.261 508 H SER 58 HN SER 58 -12.073 4.718 8.073 509 HA SER 58 HA SER 58 -14.399 3.172 7.467 510 HB2 SER 58 HB2 SER 58 -13.129 4.339 5.706 511 HB3 SER 58 HB1 SER 58 -11.724 3.348 6.071 512 HG SER 58 HG SER 58 -13.889 2.814 4.554 513 H GLY 59 HN GLY 59 -10.970 2.339 8.122 514 HA2 GLY 59 HA2 GLY 59 -10.387 0.510 9.522 515 HA3 GLY 59 HA1 GLY 59 -11.912 -0.263 9.088 516 H TYR 60 HN TYR 60 -10.568 1.047 6.379 517 HA TYR 60 HA TYR 60 -9.469 -1.490 5.527 518 HB2 TYR 60 HB2 TYR 60 -10.054 1.090 4.109 519 HB3 TYR 60 HB1 TYR 60 -9.068 -0.149 3.349 520 HD1 TYR 60 HD1 TYR 60 -12.369 0.140 5.111 521 HD2 TYR 60 HD2 TYR 60 -10.142 -1.614 1.947 522 HE1 TYR 60 HE1 TYR 60 -14.405 -0.969 4.299 523 HE2 TYR 60 HE2 TYR 60 -12.164 -2.729 1.129 524 HH TYR 60 HH TYR 60 -15.286 -1.934 2.340 525 H ARG 61 HN ARG 61 -7.347 -1.334 4.196 526 HA ARG 61 HA ARG 61 -5.467 0.556 5.244 527 HB2 ARG 61 HB2 ARG 61 -3.910 -1.263 6.044 528 HB3 ARG 61 HB1 ARG 61 -5.343 -1.051 7.025 529 HG2 ARG 61 HG2 ARG 61 -5.004 -3.380 6.874 530 HG3 ARG 61 HG1 ARG 61 -6.335 -3.032 5.777 531 HD2 ARG 61 HD2 ARG 61 -4.633 -2.983 3.914 532 HD3 ARG 61 HD1 ARG 61 -3.454 -3.593 5.071 533 HE ARG 61 HE ARG 61 -5.748 -5.207 5.073 534 HH11 ARG 61 HH11 ARG 61 -2.931 -4.504 3.110 535 HH12 ARG 61 HH12 ARG 61 -2.873 -5.993 2.306 536 HH21 ARG 61 HH21 ARG 61 -5.792 -7.287 3.904 537 HH22 ARG 61 HH22 ARG 61 -4.625 -7.604 2.744 538 H LEU 62 HN LEU 62 -3.371 0.305 4.195 539 HA LEU 62 HA LEU 62 -3.331 -1.268 1.760 540 HB2 LEU 62 HB2 LEU 62 -4.186 0.930 1.122 541 HB3 LEU 62 HB1 LEU 62 -2.871 1.729 1.942 542 HG LEU 62 HG LEU 62 -2.372 -0.060 -0.440 543 HD11 LEU 62 HD11 LEU 62 -4.063 1.600 -1.087 544 HD12 LEU 62 HD12 LEU 62 -2.507 1.937 -1.845 545 HD13 LEU 62 HD13 LEU 62 -3.034 2.888 -0.458 546 HD21 LEU 62 HD21 LEU 62 -0.416 1.388 -0.717 547 HD22 LEU 62 HD22 LEU 62 -0.423 0.651 0.885 548 HD23 LEU 62 HD23 LEU 62 -0.905 2.336 0.687 549 H VAL 63 HN VAL 63 -1.334 -2.077 1.351 550 HA VAL 63 HA VAL 63 0.802 -1.424 3.284 551 HB VAL 63 HB VAL 63 0.310 -4.083 1.924 552 HG11 VAL 63 HG11 VAL 63 2.618 -3.742 2.532 553 HG12 VAL 63 HG12 VAL 63 1.895 -4.982 3.553 554 HG13 VAL 63 HG13 VAL 63 2.156 -3.352 4.190 555 HG21 VAL 63 HG21 VAL 63 -0.504 -4.914 4.074 556 HG22 VAL 63 HG22 VAL 63 -1.509 -3.625 3.413 557 HG23 VAL 63 HG23 VAL 63 -0.396 -3.277 4.740 558 H TYR 64 HN TYR 64 2.647 -0.789 2.350 559 HA TYR 64 HA TYR 64 3.133 -1.437 -0.473 560 HB2 TYR 64 HB2 TYR 64 3.784 0.884 -0.930 561 HB3 TYR 64 HB1 TYR 64 2.112 0.828 -0.387 562 HD1 TYR 64 HD1 TYR 64 1.552 1.556 1.943 563 HD2 TYR 64 HD2 TYR 64 5.440 2.069 0.297 564 HE1 TYR 64 HE1 TYR 64 2.094 3.146 3.724 565 HE2 TYR 64 HE2 TYR 64 5.995 3.644 2.049 566 HH TYR 64 HH TYR 64 4.843 5.133 3.664 567 H GLN 65 HN GLN 65 5.332 -1.303 -1.031 568 HA GLN 65 HA GLN 65 7.185 -1.309 1.233 569 HB2 GLN 65 HB2 GLN 65 7.153 -3.440 0.018 570 HB3 GLN 65 HB1 GLN 65 7.440 -2.600 -1.500 571 HG2 GLN 65 HG2 GLN 65 9.645 -1.860 -0.668 572 HG3 GLN 65 HG1 GLN 65 9.354 -2.739 0.832 573 HE21 GLN 65 HE21 GLN 65 8.094 -4.888 -0.469 574 HE22 GLN 65 HE22 GLN 65 9.305 -5.840 -1.287 575 H VAL 66 HN VAL 66 8.959 -0.072 1.030 576 HA VAL 66 HA VAL 66 8.692 2.093 -0.925 577 HB VAL 66 HB VAL 66 10.512 1.994 1.507 578 HG11 VAL 66 HG11 VAL 66 9.795 4.300 -0.314 579 HG12 VAL 66 HG12 VAL 66 11.358 3.479 -0.253 580 HG13 VAL 66 HG13 VAL 66 10.786 4.401 1.140 581 HG21 VAL 66 HG21 VAL 66 8.182 2.031 2.164 582 HG22 VAL 66 HG22 VAL 66 7.881 3.384 1.079 583 HG23 VAL 66 HG23 VAL 66 8.922 3.603 2.484 584 H ILE 67 HN ILE 67 9.755 1.841 -2.729 585 HA ILE 67 HA ILE 67 12.321 0.458 -2.616 586 HB ILE 67 HB ILE 67 10.697 1.243 -5.051 587 HG12 ILE 67 HG12 ILE 67 10.896 -1.467 -3.693 588 HG13 ILE 67 HG11 ILE 67 9.475 -0.429 -3.692 589 HG21 ILE 67 HG21 ILE 67 13.054 -0.623 -4.734 590 HG22 ILE 67 HG22 ILE 67 13.089 0.976 -5.476 591 HG23 ILE 67 HG23 ILE 67 12.183 -0.328 -6.240 592 HD11 ILE 67 HD11 ILE 67 9.295 -0.710 -6.122 593 HD12 ILE 67 HD12 ILE 67 9.241 -2.255 -5.271 594 HD13 ILE 67 HD13 ILE 67 10.715 -1.754 -6.096 595 H ASP 68 HN ASP 68 13.799 1.990 -2.127 596 HA ASP 68 HA ASP 68 13.405 4.669 -3.089 597 HB2 ASP 68 HB2 ASP 68 15.477 5.226 -1.812 598 HB3 ASP 68 HB1 ASP 68 14.215 4.492 -0.835 599 H GLU 69 HN GLU 69 15.228 1.919 -3.985 600 HA GLU 69 HA GLU 69 17.149 3.304 -5.541 601 HB2 GLU 69 HB2 GLU 69 17.604 1.098 -6.598 602 HB3 GLU 69 HB1 GLU 69 17.684 1.097 -4.843 603 HG2 GLU 69 HG2 GLU 69 15.487 0.079 -4.729 604 HG3 GLU 69 HG1 GLU 69 15.371 0.125 -6.488 605 H LYS 70 HN LYS 70 13.882 2.469 -6.220 606 HA LYS 70 HA LYS 70 14.339 3.401 -8.990 607 HB2 LYS 70 HB2 LYS 70 11.991 1.764 -8.026 608 HB3 LYS 70 HB1 LYS 70 12.276 2.285 -9.676 609 HG2 LYS 70 HG2 LYS 70 14.391 0.898 -9.593 610 HG3 LYS 70 HG1 LYS 70 13.773 0.229 -8.084 611 HD2 LYS 70 HD2 LYS 70 12.480 0.090 -10.813 612 HD3 LYS 70 HD1 LYS 70 13.158 -1.250 -9.889 613 HE2 LYS 70 HE2 LYS 70 11.408 -0.909 -8.176 614 HE3 LYS 70 HE1 LYS 70 10.745 0.401 -9.151 615 HZ1 LYS 70 HZ1 LYS 70 10.386 -1.227 -10.944 616 HZ2 LYS 70 HZ2 LYS 70 9.519 -1.590 -9.554 617 HZ3 LYS 70 HZ3 LYS 70 10.908 -2.453 -9.911 618 H VAL 71 HN VAL 71 13.326 4.295 -6.078 619 HA VAL 71 HA VAL 71 12.008 5.806 -5.099 620 HB VAL 71 HB VAL 71 11.843 7.350 -7.692 621 HG11 VAL 71 HG11 VAL 71 11.883 9.285 -6.246 622 HG12 VAL 71 HG12 VAL 71 12.191 8.229 -4.858 623 HG13 VAL 71 HG13 VAL 71 10.655 8.121 -5.699 624 HG21 VAL 71 HG21 VAL 71 13.979 8.382 -7.198 625 HG22 VAL 71 HG22 VAL 71 14.136 6.644 -7.515 626 HG23 VAL 71 HG23 VAL 71 14.220 7.256 -5.852 627 H VAL 72 HN VAL 72 10.300 4.159 -5.067 628 HA VAL 72 HA VAL 72 7.881 5.115 -6.262 629 HB VAL 72 HB VAL 72 8.895 3.864 -8.150 630 HG11 VAL 72 HG11 VAL 72 9.191 1.442 -8.057 631 HG12 VAL 72 HG12 VAL 72 8.822 1.487 -6.329 632 HG13 VAL 72 HG13 VAL 72 10.258 2.305 -6.940 633 HG21 VAL 72 HG21 VAL 72 6.514 2.488 -6.942 634 HG22 VAL 72 HG22 VAL 72 7.030 2.313 -8.621 635 HG23 VAL 72 HG23 VAL 72 6.479 3.880 -8.022 636 H VAL 73 HN VAL 73 6.043 4.145 -5.276 637 HA VAL 73 HA VAL 73 6.700 2.404 -3.028 638 HB VAL 73 HB VAL 73 4.538 2.995 -2.014 639 HG11 VAL 73 HG11 VAL 73 6.484 4.310 -1.458 640 HG12 VAL 73 HG12 VAL 73 5.026 5.325 -1.468 641 HG13 VAL 73 HG13 VAL 73 6.147 5.366 -2.839 642 HG21 VAL 73 HG21 VAL 73 4.188 4.897 -4.336 643 HG22 VAL 73 HG22 VAL 73 3.165 4.835 -2.893 644 HG23 VAL 73 HG23 VAL 73 3.216 3.463 -3.999 645 H PHE 74 HN PHE 74 6.306 0.413 -3.228 646 HA PHE 74 HA PHE 74 4.610 -0.466 -5.433 647 HB2 PHE 74 HB2 PHE 74 6.916 -1.274 -5.489 648 HB3 PHE 74 HB1 PHE 74 6.750 -1.941 -3.878 649 HD1 PHE 74 HD1 PHE 74 4.019 -2.348 -6.304 650 HD2 PHE 74 HD2 PHE 74 7.541 -4.093 -4.661 651 HE1 PHE 74 HE1 PHE 74 3.407 -4.499 -7.285 652 HE2 PHE 74 HE2 PHE 74 6.922 -6.258 -5.648 653 HZ PHE 74 HZ PHE 74 4.851 -6.460 -6.961 654 H VAL 75 HN VAL 75 2.625 -0.458 -4.664 655 HA VAL 75 HA VAL 75 1.915 -1.362 -2.063 656 HB VAL 75 HB VAL 75 0.113 -0.912 -4.452 657 HG11 VAL 75 HG11 VAL 75 -0.942 -2.207 -2.697 658 HG12 VAL 75 HG12 VAL 75 -1.639 -0.589 -2.768 659 HG13 VAL 75 HG13 VAL 75 -0.479 -1.000 -1.501 660 HG21 VAL 75 HG21 VAL 75 1.391 1.106 -3.985 661 HG22 VAL 75 HG22 VAL 75 0.957 1.013 -2.283 662 HG23 VAL 75 HG23 VAL 75 -0.289 1.326 -3.494 663 H ILE 76 HN ILE 76 1.710 -3.327 -1.460 664 HA ILE 76 HA ILE 76 1.763 -5.513 -3.390 665 HB ILE 76 HB ILE 76 1.909 -5.607 -0.370 666 HG12 ILE 76 HG12 ILE 76 3.791 -4.341 -1.354 667 HG13 ILE 76 HG11 ILE 76 4.342 -5.831 -0.622 668 HG21 ILE 76 HG21 ILE 76 1.175 -7.708 -1.316 669 HG22 ILE 76 HG22 ILE 76 2.820 -7.878 -0.716 670 HG23 ILE 76 HG23 ILE 76 2.527 -7.711 -2.444 671 HD11 ILE 76 HD11 ILE 76 5.481 -5.424 -2.704 672 HD12 ILE 76 HD12 ILE 76 3.949 -5.305 -3.560 673 HD13 ILE 76 HD13 ILE 76 4.453 -6.847 -2.864 674 H SER 77 HN SER 77 -0.260 -4.355 -0.678 675 HA SER 77 HA SER 77 -2.431 -5.831 -1.853 676 HB2 SER 77 HB2 SER 77 -3.056 -6.779 0.392 677 HB3 SER 77 HB1 SER 77 -1.606 -7.480 -0.334 678 HG SER 77 HG SER 77 -0.363 -6.377 1.064 679 H VAL 78 HN VAL 78 -4.484 -5.188 -1.153 680 HA VAL 78 HA VAL 78 -4.719 -2.625 0.216 681 HB VAL 78 HB VAL 78 -5.909 -3.244 -2.519 682 HG11 VAL 78 HG11 VAL 78 -7.346 -1.860 -1.185 683 HG12 VAL 78 HG12 VAL 78 -6.654 -0.916 -2.508 684 HG13 VAL 78 HG13 VAL 78 -6.019 -0.746 -0.868 685 HG21 VAL 78 HG21 VAL 78 -4.520 -1.476 -3.431 686 HG22 VAL 78 HG22 VAL 78 -3.529 -2.774 -2.754 687 HG23 VAL 78 HG23 VAL 78 -3.738 -1.264 -1.866 688 H GLY 79 HN GLY 79 -6.696 -2.630 1.345 689 HA2 GLY 79 HA2 GLY 79 -9.094 -3.426 1.009 690 HA3 GLY 79 HA1 GLY 79 -8.355 -5.027 0.991 691 H LYS 80 HN LYS 80 -9.367 -5.714 2.876 692 HA LYS 80 HA LYS 80 -8.602 -4.179 5.218 693 HB2 LYS 80 HB2 LYS 80 -10.823 -6.175 4.822 694 HB3 LYS 80 HB1 LYS 80 -10.309 -5.624 6.414 695 HG2 LYS 80 HG2 LYS 80 -10.791 -3.307 5.758 696 HG3 LYS 80 HG1 LYS 80 -11.338 -3.872 4.184 697 HD2 LYS 80 HD2 LYS 80 -13.187 -3.400 5.646 698 HD3 LYS 80 HD1 LYS 80 -13.141 -5.131 5.282 699 HE2 LYS 80 HE2 LYS 80 -13.640 -4.824 7.627 700 HE3 LYS 80 HE1 LYS 80 -12.017 -5.484 7.485 701 HZ1 LYS 80 HZ1 LYS 80 -11.163 -3.173 7.830 702 HZ2 LYS 80 HZ2 LYS 80 -12.073 -3.743 9.111 703 HZ3 LYS 80 HZ3 LYS 80 -12.760 -2.667 8.051 704 H ALA 81 HN ALA 81 -7.946 -5.371 7.110 705 HA ALA 81 HA ALA 81 -5.935 -7.295 6.247 706 HB1 ALA 81 HB1 ALA 81 -6.259 -5.795 8.821 707 HB2 ALA 81 HB2 ALA 81 -5.080 -5.461 7.526 708 HB3 ALA 81 HB3 ALA 81 -5.019 -6.974 8.451 709 H GLU 82 HN GLU 82 -5.707 -9.261 7.110 710 HA GLU 82 HA GLU 82 -7.978 -10.428 8.339 711 HB2 GLU 82 HB2 GLU 82 -6.788 -11.793 6.784 712 HB3 GLU 82 HB1 GLU 82 -5.260 -11.506 7.606 713 HG2 GLU 82 HG2 GLU 82 -6.114 -13.748 8.089 714 HG3 GLU 82 HG1 GLU 82 -6.013 -12.693 9.511 715 H ALA 83 HN ALA 83 -8.382 -10.267 10.267 716 HA ALA 83 HA ALA 83 -6.719 -11.046 12.404 717 HB1 ALA 83 HB1 ALA 83 -5.889 -8.739 12.234 718 HB2 ALA 83 HB2 ALA 83 -6.934 -8.888 13.656 719 HB3 ALA 83 HB3 ALA 83 -7.548 -8.134 12.181 720 H SER 84 HN SER 84 -9.044 -11.713 10.973 721 HA SER 84 HA SER 84 -11.284 -10.751 12.607 722 HB2 SER 84 HB2 SER 84 -11.392 -11.952 9.848 723 HB3 SER 84 HB1 SER 84 -12.651 -11.049 10.691 724 HG SER 84 HG SER 84 -11.093 -10.050 9.018 725 H GLU 85 HN GLU 85 -9.753 -13.548 11.077 726 HA GLU 85 HA GLU 85 -11.442 -15.266 12.771 727 HB2 GLU 85 HB2 GLU 85 -11.445 -16.955 10.951 728 HB3 GLU 85 HB1 GLU 85 -12.288 -15.467 10.540 729 HG2 GLU 85 HG2 GLU 85 -10.385 -14.719 9.246 730 HG3 GLU 85 HG1 GLU 85 -9.487 -16.158 9.710 731 H VAL 86 HN VAL 86 -8.280 -14.527 11.644 732 HA VAL 86 HA VAL 86 -7.034 -16.973 12.019 733 HB VAL 86 HB VAL 86 -5.873 -15.134 10.930 734 HG11 VAL 86 HG11 VAL 86 -5.727 -13.832 13.641 735 HG12 VAL 86 HG12 VAL 86 -6.642 -13.259 12.248 736 HG13 VAL 86 HG13 VAL 86 -4.877 -13.281 12.197 737 HG21 VAL 86 HG21 VAL 86 -4.418 -16.088 13.392 738 HG22 VAL 86 HG22 VAL 86 -3.655 -15.390 11.963 739 HG23 VAL 86 HG23 VAL 86 -4.512 -16.925 11.843 740 H TYR 87 HN TYR 87 -7.707 -14.527 14.472 741 HA TYR 87 HA TYR 87 -6.263 -15.924 16.501 742 HB2 TYR 87 HB2 TYR 87 -7.114 -14.264 18.064 743 HB3 TYR 87 HB1 TYR 87 -6.590 -13.469 16.591 744 HD1 TYR 87 HD1 TYR 87 -8.366 -12.724 14.929 745 HD2 TYR 87 HD2 TYR 87 -9.310 -14.028 18.865 746 HE1 TYR 87 HE1 TYR 87 -10.556 -11.633 14.768 747 HE2 TYR 87 HE2 TYR 87 -11.507 -12.933 18.701 748 HH TYR 87 HH TYR 87 -12.775 -11.874 15.787 749 H SER 88 HN SER 88 -9.309 -16.414 15.121 750 HA SER 88 HA SER 88 -10.599 -17.485 17.417 751 HB2 SER 88 HB2 SER 88 -11.229 -17.902 14.487 752 HB3 SER 88 HB1 SER 88 -12.333 -18.102 15.854 753 HG SER 88 HG SER 88 -12.106 -15.888 16.283 754 H GLU 89 HN GLU 89 -8.518 -18.631 14.862 755 HA GLU 89 HA GLU 89 -8.886 -21.400 15.694 756 HB2 GLU 89 HB2 GLU 89 -7.245 -20.274 13.433 757 HB3 GLU 89 HB1 GLU 89 -7.490 -21.979 13.775 758 HG2 GLU 89 HG2 GLU 89 -9.939 -21.586 13.420 759 HG3 GLU 89 HG1 GLU 89 -9.522 -19.972 12.846 760 H ALA 90 HN ALA 90 -6.402 -18.894 15.428 761 HA ALA 90 HA ALA 90 -4.370 -18.598 16.278 762 HB1 ALA 90 HB1 ALA 90 -3.681 -19.750 18.356 763 HB2 ALA 90 HB2 ALA 90 -4.995 -20.903 18.157 764 HB3 ALA 90 HB3 ALA 90 -5.357 -19.211 18.495 765 H VAL 91 HN VAL 91 -2.288 -20.396 16.937 766 HA VAL 91 HA VAL 91 -2.386 -21.993 14.509 767 HB VAL 91 HB VAL 91 0.049 -21.991 14.422 768 HG11 VAL 91 HG11 VAL 91 0.282 -19.674 13.527 769 HG12 VAL 91 HG12 VAL 91 -1.292 -19.288 14.235 770 HG13 VAL 91 HG13 VAL 91 -1.160 -20.514 12.971 771 HG21 VAL 91 HG21 VAL 91 0.553 -21.411 16.735 772 HG22 VAL 91 HG22 VAL 91 -0.084 -19.778 16.469 773 HG23 VAL 91 HG23 VAL 91 1.355 -20.323 15.609 774 H LYS 92 HN LYS 92 -2.246 -23.998 14.535 775 HA LYS 92 HA LYS 92 -1.091 -25.395 16.860 776 HB2 LYS 92 HB2 LYS 92 -3.548 -26.112 15.288 777 HB3 LYS 92 HB1 LYS 92 -2.844 -27.102 16.551 778 HG2 LYS 92 HG2 LYS 92 -3.359 -25.484 18.225 779 HG3 LYS 92 HG1 LYS 92 -3.870 -24.311 17.008 780 HD2 LYS 92 HD2 LYS 92 -5.195 -26.969 17.518 781 HD3 LYS 92 HD1 LYS 92 -5.761 -25.424 18.149 782 HE2 LYS 92 HE2 LYS 92 -6.015 -24.586 15.852 783 HE3 LYS 92 HE1 LYS 92 -5.468 -26.121 15.220 784 HZ1 LYS 92 HZ1 LYS 92 -7.907 -25.753 16.874 785 HZ2 LYS 92 HZ2 LYS 92 -7.330 -27.210 16.271 786 HZ3 LYS 92 HZ3 LYS 92 -7.887 -26.054 15.207 787 H ARG 93 HN ARG 93 -0.971 -24.802 13.588 788 HA ARG 93 HA ARG 93 -0.042 -27.501 12.933 789 HB2 ARG 93 HB2 ARG 93 -0.554 -25.156 11.090 790 HB3 ARG 93 HB1 ARG 93 -0.082 -26.762 10.603 791 HG2 ARG 93 HG2 ARG 93 -2.189 -27.671 11.285 792 HG3 ARG 93 HG1 ARG 93 -2.677 -26.135 12.001 793 HD2 ARG 93 HD2 ARG 93 -2.511 -25.070 9.814 794 HD3 ARG 93 HD1 ARG 93 -2.050 -26.608 9.088 795 HE ARG 93 HE ARG 93 -4.503 -26.922 10.377 796 HH11 ARG 93 HH11 ARG 93 -3.168 -25.096 7.651 797 HH12 ARG 93 HH12 ARG 93 -4.595 -25.165 6.719 798 HH21 ARG 93 HH21 ARG 93 -6.498 -26.948 9.101 799 HH22 ARG 93 HH22 ARG 93 -6.519 -26.221 7.567 800 H ILE 94 HN ILE 94 0.890 -24.073 12.431 801 HA ILE 94 HA ILE 94 3.672 -24.899 12.651 802 HB ILE 94 HB ILE 94 4.266 -23.254 10.877 803 HG12 ILE 94 HG12 ILE 94 1.300 -23.248 10.254 804 HG13 ILE 94 HG11 ILE 94 2.167 -21.905 10.983 805 HG21 ILE 94 HG21 ILE 94 4.217 -25.602 10.325 806 HG22 ILE 94 HG22 ILE 94 3.632 -24.654 8.958 807 HG23 ILE 94 HG23 ILE 94 2.489 -25.515 9.986 808 HD11 ILE 94 HD11 ILE 94 1.794 -21.533 8.611 809 HD12 ILE 94 HD12 ILE 94 2.626 -23.038 8.228 810 HD13 ILE 94 HD13 ILE 94 3.517 -21.695 8.949 811 H LEU 95 HN LEU 95 5.029 -22.828 12.743 812 HA LEU 95 HA LEU 95 5.717 -20.996 13.820 813 HB2 LEU 95 HB2 LEU 95 2.802 -20.201 13.741 814 HB3 LEU 95 HB1 LEU 95 4.105 -19.146 14.243 815 HG LEU 95 HG LEU 95 3.756 -20.306 11.484 816 HD11 LEU 95 HD11 LEU 95 2.093 -18.610 12.007 817 HD12 LEU 95 HD12 LEU 95 3.270 -17.995 10.843 818 HD13 LEU 95 HD13 LEU 95 3.364 -17.509 12.534 819 HD21 LEU 95 HD21 LEU 95 5.583 -18.759 10.898 820 HD22 LEU 95 HD22 LEU 95 6.103 -20.019 12.010 821 HD23 LEU 95 HD23 LEU 95 5.794 -18.386 12.607 822 H LYS 47 H LYS 47 7.787 7.668 21.018 823 HA LYS 47 HA LYS 47 7.643 7.387 18.077 824 HB2 LYS 47 HB2 LYS 47 9.469 5.953 20.010 825 HB3 LYS 47 HB1 LYS 47 9.579 5.976 18.262 826 HG2 LYS 47 HG2 LYS 47 10.194 8.388 18.396 827 HG3 LYS 47 HG1 LYS 47 10.210 8.228 20.151 828 HD2 LYS 47 HD2 LYS 47 11.988 6.813 18.171 829 HD3 LYS 47 HD1 LYS 47 12.463 8.017 19.361 830 HE2 LYS 47 HE2 LYS 47 11.439 5.226 19.954 831 HE3 LYS 47 HE1 LYS 47 13.099 5.771 20.085 832 HZ1 LYS 47 HZ1 LYS 47 12.013 5.675 22.211 833 HZ2 LYS 47 HZ2 LYS 47 10.834 6.760 21.739 834 HZ3 LYS 47 HZ3 LYS 47 12.449 7.265 21.862 835 H GLN 48 HN GLN 48 6.685 5.408 17.461 836 HA GLN 48 HA GLN 48 6.055 3.393 19.354 837 HB2 GLN 48 HB2 GLN 48 4.395 5.108 20.026 838 HB3 GLN 48 HB1 GLN 48 3.780 5.134 18.383 839 HG2 GLN 48 HG2 GLN 48 2.312 3.854 19.810 840 HG3 GLN 48 HG1 GLN 48 3.062 2.804 18.613 841 HE21 GLN 48 HE21 GLN 48 2.675 0.997 19.860 842 HE22 GLN 48 HE22 GLN 48 3.542 0.632 21.291 843 H THR 49 HN THR 49 5.666 1.555 18.266 844 HA THR 49 HA THR 49 5.537 1.674 15.406 845 HB THR 49 HB THR 49 5.810 -0.842 15.752 846 HG1 THR 49 HG1 THR 49 5.043 -0.889 17.867 847 HG21 THR 49 HG21 THR 49 7.913 0.977 16.952 848 HG22 THR 49 HG22 THR 49 7.711 0.655 15.232 849 HG23 THR 49 HG23 THR 49 8.193 -0.648 16.325 850 H LEU 50 HN LEU 50 3.482 1.855 14.586 851 HA LEU 50 HA LEU 50 1.307 0.774 16.068 852 HB2 LEU 50 HB2 LEU 50 1.425 2.279 13.460 853 HB3 LEU 50 HB1 LEU 50 -0.050 1.612 14.111 854 HG LEU 50 HG LEU 50 -0.104 3.897 14.632 855 HD11 LEU 50 HD11 LEU 50 0.837 2.525 17.130 856 HD12 LEU 50 HD12 LEU 50 -0.795 2.499 16.473 857 HD13 LEU 50 HD13 LEU 50 -0.101 4.016 17.044 858 HD21 LEU 50 HD21 LEU 50 2.716 3.663 15.681 859 HD22 LEU 50 HD22 LEU 50 1.705 5.103 15.799 860 HD23 LEU 50 HD23 LEU 50 2.196 4.497 14.216 861 H LEU 51 HN LEU 51 1.739 -1.261 16.112 862 HA LEU 51 HA LEU 51 1.234 -2.720 13.666 863 HB2 LEU 51 HB2 LEU 51 2.772 -4.516 14.557 864 HB3 LEU 51 HB1 LEU 51 3.559 -3.053 14.025 865 HG LEU 51 HG LEU 51 3.665 -2.400 16.502 866 HD11 LEU 51 HD11 LEU 51 3.669 -4.219 18.120 867 HD12 LEU 51 HD12 LEU 51 3.087 -5.326 16.877 868 HD13 LEU 51 HD13 LEU 51 2.075 -3.978 17.406 869 HD21 LEU 51 HD21 LEU 51 5.689 -3.716 16.865 870 HD22 LEU 51 HD22 LEU 51 5.608 -3.077 15.224 871 HD23 LEU 51 HD23 LEU 51 5.241 -4.773 15.528 872 H SER 52 HN SER 52 0.270 -4.817 14.068 873 HA SER 52 HA SER 52 -0.967 -5.166 16.644 874 HB2 SER 52 HB2 SER 52 -2.432 -3.508 15.556 875 HB3 SER 52 HB1 SER 52 -2.618 -4.537 14.154 876 HG SER 52 HG SER 52 -4.379 -4.639 15.584 877 H ASP 53 HN ASP 53 -2.891 -6.956 15.788 878 HA ASP 53 HA ASP 53 -1.326 -9.379 15.371 879 HB2 ASP 53 HB2 ASP 53 -3.429 -9.072 16.836 880 HB3 ASP 53 HB1 ASP 53 -4.327 -9.126 15.327 881 H GLU 54 HN GLU 54 -3.083 -7.235 13.454 882 HA GLU 54 HA GLU 54 -3.530 -8.853 11.205 883 HB2 GLU 54 HB2 GLU 54 -3.742 -6.726 9.977 884 HB3 GLU 54 HB1 GLU 54 -4.668 -6.717 11.474 885 HG2 GLU 54 HG2 GLU 54 -2.804 -5.466 12.520 886 HG3 GLU 54 HG1 GLU 54 -2.033 -5.373 10.944 887 H ASP 55 HN ASP 55 -0.734 -7.030 12.313 888 HA ASP 55 HA ASP 55 0.833 -6.961 10.028 889 HB2 ASP 55 HB2 ASP 55 1.640 -7.220 12.906 890 HB3 ASP 55 HB1 ASP 55 2.799 -7.164 11.578 891 H ALA 56 HN ALA 56 0.368 -9.527 12.308 892 HA ALA 56 HA ALA 56 2.476 -11.172 11.347 893 HB1 ALA 56 HB1 ALA 56 1.552 -11.427 13.572 894 HB2 ALA 56 HB2 ALA 56 1.406 -12.938 12.663 895 HB3 ALA 56 HB3 ALA 56 -0.001 -11.894 12.885 896 H GLU 57 HN GLU 57 -0.712 -10.523 10.271 897 HA GLU 57 HA GLU 57 -0.840 -12.939 8.700 898 HB2 GLU 57 HB2 GLU 57 -2.750 -10.712 9.296 899 HB3 GLU 57 HB1 GLU 57 -3.165 -12.063 8.212 900 HG2 GLU 57 HG2 GLU 57 -2.603 -12.040 11.163 901 HG3 GLU 57 HG1 GLU 57 -4.093 -12.494 10.340 902 H LEU 58 HN LEU 58 -0.530 -9.488 8.454 903 HA LEU 58 HA LEU 58 -0.646 -9.398 5.634 904 HB2 LEU 58 HB2 LEU 58 0.260 -7.457 7.711 905 HB3 LEU 58 HB1 LEU 58 0.637 -7.164 6.045 906 HG LEU 58 HG LEU 58 -1.668 -6.988 5.429 907 HD11 LEU 58 HD11 LEU 58 -2.629 -8.725 6.812 908 HD12 LEU 58 HD12 LEU 58 -3.511 -7.207 6.964 909 HD13 LEU 58 HD13 LEU 58 -2.405 -7.715 8.243 910 HD21 LEU 58 HD21 LEU 58 -0.662 -4.995 6.373 911 HD22 LEU 58 HD22 LEU 58 -1.175 -5.487 7.987 912 HD23 LEU 58 HD23 LEU 58 -2.380 -5.076 6.766 913 H VAL 59 HN VAL 59 1.953 -10.055 7.866 914 HA VAL 59 HA VAL 59 3.938 -9.663 5.907 915 HB VAL 59 HB VAL 59 5.582 -10.685 7.402 916 HG11 VAL 59 HG11 VAL 59 5.079 -8.488 7.852 917 HG12 VAL 59 HG12 VAL 59 5.380 -9.363 9.354 918 HG13 VAL 59 HG13 VAL 59 3.731 -8.950 8.888 919 HG21 VAL 59 HG21 VAL 59 4.954 -11.740 9.527 920 HG22 VAL 59 HG22 VAL 59 4.315 -12.635 8.148 921 HG23 VAL 59 HG23 VAL 59 3.246 -11.593 9.093 922 H GLU 60 HN GLU 60 1.912 -12.421 6.707 923 HA GLU 60 HA GLU 60 3.431 -14.093 4.977 924 HB2 GLU 60 HB2 GLU 60 1.584 -15.772 5.182 925 HB3 GLU 60 HB1 GLU 60 2.286 -15.277 6.708 926 HG2 GLU 60 HG2 GLU 60 0.396 -14.013 7.277 927 HG3 GLU 60 HG1 GLU 60 -0.241 -14.084 5.634 928 H ILE 61 HN ILE 61 0.708 -12.003 4.642 929 HA ILE 61 HA ILE 61 -0.098 -12.891 2.067 930 HB ILE 61 HB ILE 61 -0.558 -10.221 3.443 931 HG12 ILE 61 HG12 ILE 61 -2.397 -12.594 3.038 932 HG13 ILE 61 HG11 ILE 61 -1.552 -12.210 4.531 933 HG21 ILE 61 HG21 ILE 61 -1.853 -11.279 0.926 934 HG22 ILE 61 HG22 ILE 61 -0.745 -9.911 1.026 935 HG23 ILE 61 HG23 ILE 61 -2.335 -9.816 1.785 936 HD11 ILE 61 HD11 ILE 61 -2.817 -10.129 4.708 937 HD12 ILE 61 HD12 ILE 61 -3.882 -11.532 4.617 938 HD13 ILE 61 HD13 ILE 61 -3.645 -10.507 3.198 939 H VAL 62 HN VAL 62 2.206 -10.442 3.132 940 HA VAL 62 HA VAL 62 2.654 -9.484 0.505 941 HB VAL 62 HB VAL 62 3.170 -8.004 2.425 942 HG11 VAL 62 HG11 VAL 62 3.911 -9.681 3.970 943 HG12 VAL 62 HG12 VAL 62 5.037 -8.323 3.868 944 HG13 VAL 62 HG13 VAL 62 5.418 -9.861 3.072 945 HG21 VAL 62 HG21 VAL 62 4.385 -7.557 0.352 946 HG22 VAL 62 HG22 VAL 62 5.665 -8.655 0.858 947 HG23 VAL 62 HG23 VAL 62 5.371 -7.170 1.759 948 H LYS 63 HN LYS 63 4.431 -11.798 2.541 949 HA LYS 63 HA LYS 63 6.452 -12.343 0.637 950 HB2 LYS 63 HB2 LYS 63 7.040 -14.247 1.985 951 HB3 LYS 63 HB1 LYS 63 6.650 -12.905 3.047 952 HG2 LYS 63 HG2 LYS 63 4.403 -13.886 3.350 953 HG3 LYS 63 HG1 LYS 63 4.927 -15.282 2.419 954 HD2 LYS 63 HD2 LYS 63 6.112 -14.329 5.032 955 HD3 LYS 63 HD1 LYS 63 5.127 -15.764 4.795 956 HE2 LYS 63 HE2 LYS 63 6.854 -16.651 3.248 957 HE3 LYS 63 HE1 LYS 63 7.843 -15.253 3.606 958 HZ1 LYS 63 HZ1 LYS 63 7.937 -15.872 5.914 959 HZ2 LYS 63 HZ2 LYS 63 8.513 -17.141 4.965 960 HZ3 LYS 63 HZ3 LYS 63 6.974 -17.222 5.647 961 H GLU 64 HN GLU 64 3.194 -13.345 0.938 962 HA GLU 64 HA GLU 64 3.252 -15.582 -0.793 963 HB2 GLU 64 HB2 GLU 64 1.348 -15.382 0.618 964 HB3 GLU 64 HB1 GLU 64 1.058 -13.726 0.107 965 HG2 GLU 64 HG2 GLU 64 0.332 -14.418 -2.025 966 HG3 GLU 64 HG1 GLU 64 0.864 -16.066 -1.757 967 H ARG 65 HN ARG 65 2.088 -12.275 -1.282 968 HA ARG 65 HA ARG 65 1.748 -12.638 -4.047 969 HB2 ARG 65 HB2 ARG 65 1.885 -10.152 -2.393 970 HB3 ARG 65 HB1 ARG 65 1.474 -10.136 -4.113 971 HG2 ARG 65 HG2 ARG 65 -0.436 -11.654 -3.560 972 HG3 ARG 65 HG1 ARG 65 -0.043 -11.432 -1.855 973 HD2 ARG 65 HD2 ARG 65 -0.334 -8.999 -2.148 974 HD3 ARG 65 HD1 ARG 65 -0.821 -9.287 -3.818 975 HE ARG 65 HE ARG 65 -2.328 -10.735 -1.840 976 HH11 ARG 65 HH11 ARG 65 -2.144 -7.841 -3.834 977 HH12 ARG 65 HH12 ARG 65 -3.783 -7.401 -3.645 978 HH21 ARG 65 HH21 ARG 65 -4.565 -10.161 -1.507 979 HH22 ARG 65 HH22 ARG 65 -5.243 -8.791 -2.228 980 H LEU 66 HN LEU 66 4.505 -11.901 -2.210 981 HA LEU 66 HA LEU 66 5.970 -10.768 -4.384 982 HB2 LEU 66 HB2 LEU 66 6.911 -11.913 -1.766 983 HB3 LEU 66 HB1 LEU 66 8.005 -11.275 -2.970 984 HG LEU 66 HG LEU 66 5.876 -9.704 -1.513 985 HD11 LEU 66 HD11 LEU 66 7.769 -8.589 -0.439 986 HD12 LEU 66 HD12 LEU 66 8.879 -9.681 -1.265 987 HD13 LEU 66 HD13 LEU 66 7.740 -10.316 -0.078 988 HD21 LEU 66 HD21 LEU 66 6.220 -8.817 -3.762 989 HD22 LEU 66 HD22 LEU 66 7.965 -8.809 -3.503 990 HD23 LEU 66 HD23 LEU 66 6.931 -7.741 -2.560 991 H ARG 67 HN ARG 67 4.842 -13.854 -3.999 992 HA ARG 67 HA ARG 67 7.077 -15.364 -4.893 993 HB2 ARG 67 HB2 ARG 67 5.522 -17.195 -5.290 994 HB3 ARG 67 HB1 ARG 67 5.062 -16.391 -3.806 995 HG2 ARG 67 HG2 ARG 67 3.314 -15.145 -5.171 996 HG3 ARG 67 HG1 ARG 67 3.680 -16.266 -6.482 997 HD2 ARG 67 HD2 ARG 67 2.690 -17.003 -3.724 998 HD3 ARG 67 HD1 ARG 67 1.725 -16.994 -5.193 999 HE ARG 67 HE ARG 67 3.865 -18.634 -5.686 1000 HH11 ARG 67 HH11 ARG 67 1.092 -18.620 -3.454 1001 HH12 ARG 67 HH12 ARG 67 1.100 -20.293 -3.211 1002 HH21 ARG 67 HH21 ARG 67 3.802 -20.930 -5.446 1003 HH22 ARG 67 HH22 ARG 67 2.653 -21.666 -4.429 1004 H ASN 68 HN ASN 68 4.409 -13.806 -6.550 1005 HA ASN 68 HA ASN 68 5.937 -13.396 -8.940 1006 HB2 ASN 68 HB2 ASN 68 3.277 -14.903 -9.099 1007 HB3 ASN 68 HB1 ASN 68 4.191 -14.307 -10.470 1008 HD21 ASN 68 HD21 ASN 68 6.106 -15.464 -11.103 1009 HD22 ASN 68 HD22 ASN 68 6.359 -17.068 -10.556 1010 HA PRO 69 HA PRO 69 3.098 -10.157 -7.387 1011 HB2 PRO 69 HB2 PRO 69 5.048 -8.202 -8.215 1012 HB3 PRO 69 HB1 PRO 69 4.534 -8.616 -6.579 1013 HG2 PRO 69 HG2 PRO 69 7.025 -9.158 -7.650 1014 HG3 PRO 69 HG1 PRO 69 6.326 -9.974 -6.247 1015 HD2 PRO 69 HD2 PRO 69 6.607 -10.912 -9.044 1016 HD3 PRO 69 HD1 PRO 69 6.568 -11.843 -7.537 1017 H LYS 70 HN LYS 70 5.164 -9.464 -10.185 1018 HA LYS 70 HA LYS 70 4.848 -8.475 -12.109 1019 HB2 LYS 70 HB2 LYS 70 2.199 -9.914 -11.954 1020 HB3 LYS 70 HB1 LYS 70 2.585 -8.890 -13.324 1021 HG2 LYS 70 HG2 LYS 70 3.056 -11.172 -13.878 1022 HG3 LYS 70 HG1 LYS 70 4.571 -10.279 -13.772 1023 HD2 LYS 70 HD2 LYS 70 4.824 -11.184 -11.448 1024 HD3 LYS 70 HD1 LYS 70 3.408 -12.188 -11.753 1025 HE2 LYS 70 HE2 LYS 70 5.444 -13.438 -12.128 1026 HE3 LYS 70 HE1 LYS 70 4.551 -13.230 -13.639 1027 HZ1 LYS 70 HZ1 LYS 70 6.086 -11.460 -14.253 1028 HZ2 LYS 70 HZ2 LYS 70 6.927 -12.875 -13.924 1029 HZ3 LYS 70 HZ3 LYS 70 6.916 -11.633 -12.792 1030 HA PRO 71 HA PRO 71 2.903 -4.859 -10.222 1031 HB2 PRO 71 HB2 PRO 71 5.043 -3.259 -10.314 1032 HB3 PRO 71 HB1 PRO 71 4.785 -4.428 -9.021 1033 HG2 PRO 71 HG2 PRO 71 6.611 -4.558 -11.354 1034 HG3 PRO 71 HG1 PRO 71 6.821 -5.132 -9.691 1035 HD2 PRO 71 HD2 PRO 71 6.111 -6.768 -11.859 1036 HD3 PRO 71 HD1 PRO 71 5.857 -7.152 -10.154 1037 H VAL 72 HN VAL 72 2.384 -2.899 -11.044 1038 HA VAL 72 HA VAL 72 2.996 -2.328 -13.842 1039 HB VAL 72 HB VAL 72 0.306 -1.986 -12.467 1040 HG11 VAL 72 HG11 VAL 72 1.086 -1.544 -15.337 1041 HG12 VAL 72 HG12 VAL 72 0.734 -0.284 -14.153 1042 HG13 VAL 72 HG13 VAL 72 -0.543 -1.388 -14.676 1043 HG21 VAL 72 HG21 VAL 72 0.679 -4.337 -12.889 1044 HG22 VAL 72 HG22 VAL 72 1.144 -3.990 -14.550 1045 HG23 VAL 72 HG23 VAL 72 -0.517 -3.717 -14.030 1046 H ARG 73 HN ARG 73 3.771 -0.318 -14.014 1047 HA ARG 73 HA ARG 73 3.850 1.416 -11.724 1048 HB2 ARG 73 HB2 ARG 73 5.722 1.166 -13.464 1049 HB3 ARG 73 HB1 ARG 73 4.679 2.002 -14.592 1050 HG2 ARG 73 HG2 ARG 73 5.695 3.217 -12.010 1051 HG3 ARG 73 HG1 ARG 73 6.481 3.415 -13.569 1052 HD2 ARG 73 HD2 ARG 73 3.694 4.302 -12.839 1053 HD3 ARG 73 HD1 ARG 73 5.092 5.358 -13.003 1054 HE ARG 73 HE ARG 73 5.054 4.294 -15.410 1055 HH11 ARG 73 HH11 ARG 73 2.366 5.588 -13.561 1056 HH12 ARG 73 HH12 ARG 73 1.308 5.796 -14.880 1057 HH21 ARG 73 HH21 ARG 73 3.706 4.655 -17.264 1058 HH22 ARG 73 HH22 ARG 73 2.131 5.280 -17.079 1059 H VAL 74 HN VAL 74 2.362 2.885 -11.275 1060 HA VAL 74 HA VAL 74 0.617 3.878 -13.383 1061 HB VAL 74 HB VAL 74 -1.354 3.748 -11.794 1062 HG11 VAL 74 HG11 VAL 74 -0.160 1.101 -12.606 1063 HG12 VAL 74 HG12 VAL 74 -1.164 2.144 -13.617 1064 HG13 VAL 74 HG13 VAL 74 -1.847 1.382 -12.182 1065 HG21 VAL 74 HG21 VAL 74 -0.172 3.480 -9.729 1066 HG22 VAL 74 HG22 VAL 74 0.507 1.945 -10.273 1067 HG23 VAL 74 HG23 VAL 74 -1.228 2.085 -9.976 1068 H THR 75 HN THR 75 -0.843 5.619 -12.282 1069 HA THR 75 HA THR 75 0.623 7.230 -10.370 1070 HB THR 75 HB THR 75 -0.158 9.277 -11.683 1071 HG1 THR 75 HG1 THR 75 -0.512 7.368 -13.779 1072 HG21 THR 75 HG21 THR 75 1.677 9.217 -13.337 1073 HG22 THR 75 HG22 THR 75 1.829 7.477 -13.088 1074 HG23 THR 75 HG23 THR 75 2.195 8.590 -11.770 1075 H LEU 76 HN LEU 76 -0.912 8.742 -9.298 1076 HA LEU 76 HA LEU 76 -3.324 7.398 -8.597 1077 HB2 LEU 76 HB2 LEU 76 -2.434 10.214 -8.043 1078 HB3 LEU 76 HB1 LEU 76 -3.806 9.432 -7.271 1079 HG LEU 76 HG LEU 76 -0.997 8.443 -7.125 1080 HD11 LEU 76 HD11 LEU 76 -0.984 9.375 -4.823 1081 HD12 LEU 76 HD12 LEU 76 -2.571 10.088 -5.121 1082 HD13 LEU 76 HD13 LEU 76 -1.167 10.642 -6.035 1083 HD21 LEU 76 HD21 LEU 76 -2.647 6.739 -6.736 1084 HD22 LEU 76 HD22 LEU 76 -3.447 7.738 -5.518 1085 HD23 LEU 76 HD23 LEU 76 -1.811 7.127 -5.243 1086 H ASP 77 HN ASP 77 -2.525 9.859 -10.818 1087 HA ASP 77 HA ASP 77 -4.996 10.962 -11.484 1088 HB2 ASP 77 HB2 ASP 77 -2.992 11.969 -12.287 1089 HB3 ASP 77 HB1 ASP 77 -2.501 10.493 -13.103 1090 H GLU 78 HN GLU 78 -3.494 7.966 -12.554 1091 HA GLU 78 HA GLU 78 -5.643 7.573 -14.468 1092 HB2 GLU 78 HB2 GLU 78 -4.294 5.743 -15.368 1093 HB3 GLU 78 HB1 GLU 78 -3.395 7.249 -15.326 1094 HG2 GLU 78 HG2 GLU 78 -2.337 6.491 -13.239 1095 HG3 GLU 78 HG1 GLU 78 -3.111 4.929 -13.420 1096 H LEU 79 HN LEU 79 -5.155 6.839 -11.265 1097 HA LEU 79 HA LEU 79 -6.356 4.215 -11.379 1098 HB2 LEU 79 HB2 LEU 79 -5.996 6.031 -8.995 1099 HB3 LEU 79 HB1 LEU 79 -6.459 4.346 -8.942 1100 HG LEU 79 HG LEU 79 -3.789 5.509 -9.667 1101 HD11 LEU 79 HD11 LEU 79 -4.204 5.343 -7.314 1102 HD12 LEU 79 HD12 LEU 79 -3.032 4.112 -7.805 1103 HD13 LEU 79 HD13 LEU 79 -4.704 3.663 -7.489 1104 HD21 LEU 79 HD21 LEU 79 -3.017 3.211 -10.035 1105 HD22 LEU 79 HD22 LEU 79 -4.228 3.695 -11.219 1106 HD23 LEU 79 HD23 LEU 79 -4.676 2.632 -9.883 Start of MODEL 9 1 H MET 1 H MET 1 6.414 11.766 -10.290 2 HA MET 1 HA MET 1 5.167 14.039 -8.875 3 HB2 MET 1 HB2 MET 1 5.428 11.148 -7.998 4 HB3 MET 1 HB1 MET 1 4.657 12.438 -7.093 5 HG2 MET 1 HG2 MET 1 3.720 11.232 -9.683 6 HG3 MET 1 HG1 MET 1 3.006 11.009 -8.095 7 HE1 MET 1 HE1 MET 1 1.517 14.558 -7.370 8 HE2 MET 1 HE2 MET 1 3.127 14.013 -6.917 9 HE3 MET 1 HE3 MET 1 1.747 12.921 -6.750 10 H ALA 2 HN ALA 2 7.220 11.317 -7.937 11 HA ALA 2 HA ALA 2 9.651 12.671 -7.721 12 HB1 ALA 2 HB1 ALA 2 8.611 13.789 -5.772 13 HB2 ALA 2 HB2 ALA 2 9.829 12.632 -5.227 14 HB3 ALA 2 HB3 ALA 2 8.115 12.223 -5.128 15 H TYR 3 HN TYR 3 7.813 10.366 -5.788 16 HA TYR 3 HA TYR 3 9.539 8.243 -6.713 17 HB2 TYR 3 HB2 TYR 3 7.470 8.490 -4.547 18 HB3 TYR 3 HB1 TYR 3 7.855 6.897 -5.178 19 HD1 TYR 3 HD2 TYR 3 9.567 9.936 -3.759 20 HD2 TYR 3 HD1 TYR 3 9.560 5.705 -4.206 21 HE1 TYR 3 HE2 TYR 3 11.531 9.769 -2.272 22 HE2 TYR 3 HE1 TYR 3 11.506 5.526 -2.744 23 HH TYR 3 HH TYR 3 12.606 8.049 -0.812 24 H PHE 4 HN PHE 4 8.784 6.553 -7.987 25 HA PHE 4 HA PHE 4 6.517 7.203 -9.638 26 HB2 PHE 4 HB2 PHE 4 8.086 4.613 -9.531 27 HB3 PHE 4 HB1 PHE 4 6.992 5.101 -10.808 28 HD1 PHE 4 HD1 PHE 4 7.631 7.625 -11.695 29 HD2 PHE 4 HD2 PHE 4 10.304 4.732 -10.098 30 HE1 PHE 4 HE1 PHE 4 9.492 8.678 -12.916 31 HE2 PHE 4 HE2 PHE 4 12.163 5.770 -11.303 32 HZ PHE 4 HZ PHE 4 11.766 7.748 -12.719 33 H LEU 5 HN LEU 5 4.690 5.435 -9.981 34 HA LEU 5 HA LEU 5 4.064 4.461 -7.325 35 HB2 LEU 5 HB2 LEU 5 2.647 6.413 -7.937 36 HB3 LEU 5 HB1 LEU 5 2.226 5.601 -9.422 37 HG LEU 5 HG LEU 5 1.059 3.883 -8.191 38 HD11 LEU 5 HD11 LEU 5 0.622 4.161 -5.776 39 HD12 LEU 5 HD12 LEU 5 1.726 5.533 -5.739 40 HD13 LEU 5 HD13 LEU 5 2.338 3.914 -6.099 41 HD21 LEU 5 HD21 LEU 5 -0.791 5.304 -7.409 42 HD22 LEU 5 HD22 LEU 5 -0.148 5.792 -8.975 43 HD23 LEU 5 HD23 LEU 5 0.278 6.696 -7.523 44 H ASP 6 HN ASP 6 3.576 2.403 -7.249 45 HA ASP 6 HA ASP 6 2.912 0.988 -9.717 46 HB2 ASP 6 HB2 ASP 6 5.353 0.446 -8.079 47 HB3 ASP 6 HB1 ASP 6 4.475 -0.933 -8.710 48 H PHE 7 HN PHE 7 1.823 -0.867 -9.435 49 HA PHE 7 HA PHE 7 1.001 -1.563 -6.706 50 HB2 PHE 7 HB2 PHE 7 -0.796 -0.959 -9.032 51 HB3 PHE 7 HB1 PHE 7 -1.295 -2.068 -7.768 52 HD1 PHE 7 HD2 PHE 7 -0.226 1.413 -8.412 53 HD2 PHE 7 HD1 PHE 7 -2.237 -1.263 -5.808 54 HE1 PHE 7 HE2 PHE 7 -1.096 3.315 -7.131 55 HE2 PHE 7 HE1 PHE 7 -3.118 0.639 -4.523 56 HZ PHE 7 HZ PHE 7 -2.547 2.932 -5.188 57 H ASP 8 HN ASP 8 0.772 -3.652 -6.360 58 HA ASP 8 HA ASP 8 1.702 -5.668 -8.072 59 HB2 ASP 8 HB2 ASP 8 1.689 -6.258 -5.815 60 HB3 ASP 8 HB1 ASP 8 0.112 -5.541 -5.532 61 H GLU 9 HN GLU 9 0.600 -7.083 -9.406 62 HA GLU 9 HA GLU 9 -1.413 -6.047 -10.982 63 HB2 GLU 9 HB2 GLU 9 0.198 -8.311 -10.968 64 HB3 GLU 9 HB1 GLU 9 -1.454 -8.919 -10.954 65 HG2 GLU 9 HG2 GLU 9 -0.455 -6.912 -12.961 66 HG3 GLU 9 HG1 GLU 9 -0.406 -8.651 -13.224 67 H ARG 10 HN ARG 10 -1.734 -8.252 -8.215 68 HA ARG 10 HA ARG 10 -4.554 -8.594 -8.583 69 HB2 ARG 10 HB2 ARG 10 -2.771 -9.113 -6.199 70 HB3 ARG 10 HB1 ARG 10 -4.484 -9.485 -6.216 71 HG2 ARG 10 HG2 ARG 10 -4.151 -11.118 -7.963 72 HG3 ARG 10 HG1 ARG 10 -2.451 -10.669 -8.101 73 HD2 ARG 10 HD2 ARG 10 -2.757 -12.733 -6.780 74 HD3 ARG 10 HD1 ARG 10 -2.032 -11.440 -5.830 75 HE ARG 10 HE ARG 10 -4.885 -11.621 -5.629 76 HH11 ARG 10 HH11 ARG 10 -1.845 -12.846 -4.293 77 HH12 ARG 10 HH12 ARG 10 -2.459 -13.146 -2.726 78 HH21 ARG 10 HH21 ARG 10 -5.735 -12.035 -3.472 79 HH22 ARG 10 HH22 ARG 10 -4.745 -12.694 -2.275 80 H ALA 11 HN ALA 11 -2.504 -6.452 -6.736 81 HA ALA 11 HA ALA 11 -4.416 -5.181 -5.136 82 HB1 ALA 11 HB1 ALA 11 -2.823 -3.359 -4.874 83 HB2 ALA 11 HB2 ALA 11 -1.905 -3.949 -6.262 84 HB3 ALA 11 HB3 ALA 11 -2.008 -4.920 -4.793 85 H LEU 12 HN LEU 12 -3.612 -4.597 -8.501 86 HA LEU 12 HA LEU 12 -5.048 -2.191 -8.857 87 HB2 LEU 12 HB2 LEU 12 -4.449 -4.430 -10.774 88 HB3 LEU 12 HB1 LEU 12 -5.494 -3.108 -11.259 89 HG LEU 12 HG LEU 12 -3.500 -1.578 -10.720 90 HD11 LEU 12 HD11 LEU 12 -2.023 -4.160 -10.823 91 HD12 LEU 12 HD12 LEU 12 -2.234 -3.137 -9.407 92 HD13 LEU 12 HD13 LEU 12 -1.318 -2.546 -10.799 93 HD21 LEU 12 HD21 LEU 12 -4.198 -2.060 -12.970 94 HD22 LEU 12 HD22 LEU 12 -3.281 -3.566 -12.959 95 HD23 LEU 12 HD23 LEU 12 -2.438 -2.019 -12.870 96 H LYS 13 HN LYS 13 -6.092 -5.483 -8.905 97 HA LYS 13 HA LYS 13 -8.751 -4.934 -9.799 98 HB2 LYS 13 HB2 LYS 13 -8.025 -7.418 -8.280 99 HB3 LYS 13 HB1 LYS 13 -9.092 -7.239 -9.664 100 HG2 LYS 13 HG2 LYS 13 -6.075 -7.156 -9.713 101 HG3 LYS 13 HG1 LYS 13 -7.087 -8.483 -10.252 102 HD2 LYS 13 HD2 LYS 13 -7.854 -7.254 -12.131 103 HD3 LYS 13 HD1 LYS 13 -7.231 -5.730 -11.470 104 HE2 LYS 13 HE2 LYS 13 -4.967 -6.556 -11.644 105 HE3 LYS 13 HE1 LYS 13 -5.539 -8.099 -12.262 106 HZ1 LYS 13 HZ1 LYS 13 -6.220 -7.005 -14.279 107 HZ2 LYS 13 HZ2 LYS 13 -4.613 -6.573 -13.900 108 HZ3 LYS 13 HZ3 LYS 13 -5.854 -5.474 -13.640 109 H GLU 14 HN GLU 14 -7.042 -5.218 -6.807 110 HA GLU 14 HA GLU 14 -9.092 -5.609 -5.003 111 HB2 GLU 14 HB2 GLU 14 -6.501 -4.165 -4.645 112 HB3 GLU 14 HB1 GLU 14 -7.600 -4.527 -3.327 113 HG2 GLU 14 HG2 GLU 14 -6.151 -6.491 -5.089 114 HG3 GLU 14 HG1 GLU 14 -5.798 -6.131 -3.401 115 H TRP 15 HN TRP 15 -7.811 -2.434 -6.161 116 HA TRP 15 HA TRP 15 -9.626 -1.177 -4.339 117 HB2 TRP 15 HB2 TRP 15 -8.901 0.977 -5.115 118 HB3 TRP 15 HB1 TRP 15 -7.475 -0.037 -5.080 119 HD1 TRP 15 HD1 TRP 15 -10.004 1.374 -7.663 120 HE1 TRP 15 HE1 TRP 15 -8.774 1.779 -9.858 121 HE3 TRP 15 HE3 TRP 15 -5.428 -0.499 -6.375 122 HZ2 TRP 15 HZ2 TRP 15 -6.211 1.367 -10.926 123 HZ3 TRP 15 HZ3 TRP 15 -3.636 -0.437 -8.058 124 HH2 TRP 15 HH2 TRP 15 -4.021 0.478 -10.282 125 H ARG 16 HN ARG 16 -9.766 -2.354 -7.490 126 HA ARG 16 HA ARG 16 -12.002 -0.784 -8.299 127 HB2 ARG 16 HB2 ARG 16 -10.908 -3.316 -9.541 128 HB3 ARG 16 HB1 ARG 16 -12.032 -2.192 -10.306 129 HG2 ARG 16 HG2 ARG 16 -10.301 -0.401 -10.077 130 HG3 ARG 16 HG1 ARG 16 -9.232 -1.603 -9.421 131 HD2 ARG 16 HD2 ARG 16 -8.718 -1.220 -11.749 132 HD3 ARG 16 HD1 ARG 16 -9.262 -2.871 -11.483 133 HE ARG 16 HE ARG 16 -11.439 -2.143 -12.401 134 HH11 ARG 16 HH11 ARG 16 -8.579 -0.183 -13.230 135 HH12 ARG 16 HH12 ARG 16 -9.221 0.316 -14.722 136 HH21 ARG 16 HH21 ARG 16 -12.239 -1.486 -14.457 137 HH22 ARG 16 HH22 ARG 16 -11.328 -0.445 -15.454 138 H LYS 17 HN LYS 17 -11.662 -3.738 -6.543 139 HA LYS 17 HA LYS 17 -14.463 -4.406 -6.946 140 HB2 LYS 17 HB2 LYS 17 -13.921 -6.478 -5.575 141 HB3 LYS 17 HB1 LYS 17 -13.078 -6.331 -7.105 142 HG2 LYS 17 HG2 LYS 17 -11.459 -7.113 -5.597 143 HG3 LYS 17 HG1 LYS 17 -11.126 -5.399 -5.765 144 HD2 LYS 17 HD2 LYS 17 -10.984 -5.556 -3.492 145 HD3 LYS 17 HD1 LYS 17 -12.719 -5.282 -3.626 146 HE2 LYS 17 HE2 LYS 17 -12.299 -7.106 -2.102 147 HE3 LYS 17 HE1 LYS 17 -13.066 -7.725 -3.568 148 HZ1 LYS 17 HZ1 LYS 17 -10.121 -7.758 -3.162 149 HZ2 LYS 17 HZ2 LYS 17 -11.019 -8.606 -4.322 150 HZ3 LYS 17 HZ3 LYS 17 -11.128 -9.025 -2.704 151 H LEU 18 HN LEU 18 -12.799 -2.469 -4.828 152 HA LEU 18 HA LEU 18 -14.727 -3.026 -2.704 153 HB2 LEU 18 HB2 LEU 18 -13.180 -1.772 -1.170 154 HB3 LEU 18 HB1 LEU 18 -12.571 -3.283 -1.794 155 HG LEU 18 HG LEU 18 -11.271 -1.914 -3.479 156 HD11 LEU 18 HD11 LEU 18 -10.713 0.376 -2.863 157 HD12 LEU 18 HD12 LEU 18 -11.954 0.332 -1.608 158 HD13 LEU 18 HD13 LEU 18 -12.413 0.203 -3.308 159 HD21 LEU 18 HD21 LEU 18 -10.629 -1.651 -0.563 160 HD22 LEU 18 HD22 LEU 18 -9.507 -1.383 -1.900 161 HD23 LEU 18 HD23 LEU 18 -10.197 -2.985 -1.642 162 H GLY 19 HN GLY 19 -14.937 -0.839 -1.253 163 HA2 GLY 19 HA2 GLY 19 -16.712 0.710 -2.807 164 HA3 GLY 19 HA1 GLY 19 -16.274 0.977 -1.129 165 H SER 20 HN SER 20 -16.670 2.805 -3.412 166 HA SER 20 HA SER 20 -14.303 3.784 -4.437 167 HB2 SER 20 HB2 SER 20 -16.879 5.233 -3.942 168 HB3 SER 20 HB1 SER 20 -15.626 5.680 -5.101 169 HG SER 20 HG SER 20 -17.131 4.578 -6.189 170 H THR 21 HN THR 21 -16.087 4.817 -1.484 171 HA THR 21 HA THR 21 -14.655 7.135 -0.934 172 HB THR 21 HB THR 21 -15.828 5.213 1.084 173 HG1 THR 21 HG1 THR 21 -17.094 7.299 -0.405 174 HG21 THR 21 HG21 THR 21 -14.538 7.026 2.089 175 HG22 THR 21 HG22 THR 21 -16.260 7.264 2.393 176 HG23 THR 21 HG23 THR 21 -15.442 8.217 1.158 177 H VAL 22 HN VAL 22 -14.010 3.786 -0.161 178 HA VAL 22 HA VAL 22 -11.846 4.163 1.601 179 HB VAL 22 HB VAL 22 -12.529 1.827 -0.207 180 HG11 VAL 22 HG11 VAL 22 -10.143 1.758 0.365 181 HG12 VAL 22 HG12 VAL 22 -11.033 0.468 1.173 182 HG13 VAL 22 HG13 VAL 22 -10.548 1.898 2.076 183 HG21 VAL 22 HG21 VAL 22 -12.972 2.267 2.739 184 HG22 VAL 22 HG22 VAL 22 -13.376 0.800 1.852 185 HG23 VAL 22 HG23 VAL 22 -14.206 2.312 1.484 186 H ARG 23 HN ARG 23 -11.906 3.517 -1.893 187 HA ARG 23 HA ARG 23 -9.086 3.561 -2.057 188 HB2 ARG 23 HB2 ARG 23 -9.349 3.449 -4.506 189 HB3 ARG 23 HB1 ARG 23 -10.321 2.262 -3.660 190 HG2 ARG 23 HG2 ARG 23 -12.273 3.727 -3.954 191 HG3 ARG 23 HG1 ARG 23 -11.272 4.793 -4.946 192 HD2 ARG 23 HD2 ARG 23 -10.798 2.951 -6.459 193 HD3 ARG 23 HD1 ARG 23 -11.784 1.874 -5.468 194 HE ARG 23 HE ARG 23 -12.967 4.263 -6.642 195 HH11 ARG 23 HH11 ARG 23 -12.835 0.720 -6.451 196 HH12 ARG 23 HH12 ARG 23 -14.207 0.493 -7.422 197 HH21 ARG 23 HH21 ARG 23 -14.787 3.933 -8.007 198 HH22 ARG 23 HH22 ARG 23 -15.350 2.364 -8.356 199 H GLU 24 HN GLU 24 -11.449 6.081 -2.313 200 HA GLU 24 HA GLU 24 -9.790 8.044 -3.487 201 HB2 GLU 24 HB2 GLU 24 -12.054 8.385 -1.515 202 HB3 GLU 24 HB1 GLU 24 -11.296 9.693 -2.402 203 HG2 GLU 24 HG2 GLU 24 -12.054 8.658 -4.509 204 HG3 GLU 24 HG1 GLU 24 -12.881 7.415 -3.561 205 H GLN 25 HN GLN 25 -10.456 7.215 -0.119 206 HA GLN 25 HA GLN 25 -8.833 9.140 1.130 207 HB2 GLN 25 HB2 GLN 25 -9.560 6.364 2.082 208 HB3 GLN 25 HB1 GLN 25 -8.905 7.641 3.095 209 HG2 GLN 25 HG2 GLN 25 -10.881 8.993 2.694 210 HG3 GLN 25 HG1 GLN 25 -11.515 7.754 1.617 211 HE21 GLN 25 HE21 GLN 25 -12.357 5.939 2.460 212 HE22 GLN 25 HE22 GLN 25 -12.742 5.724 4.133 213 H LEU 26 HN LEU 26 -8.165 5.947 -0.071 214 HA LEU 26 HA LEU 26 -5.526 5.759 0.900 215 HB2 LEU 26 HB2 LEU 26 -6.825 4.342 -1.422 216 HB3 LEU 26 HB1 LEU 26 -5.285 3.903 -0.710 217 HG LEU 26 HG LEU 26 -7.959 3.797 0.695 218 HD11 LEU 26 HD11 LEU 26 -6.209 1.577 -0.324 219 HD12 LEU 26 HD12 LEU 26 -7.755 2.083 -1.005 220 HD13 LEU 26 HD13 LEU 26 -7.689 1.385 0.611 221 HD21 LEU 26 HD21 LEU 26 -6.164 4.279 2.268 222 HD22 LEU 26 HD22 LEU 26 -5.222 2.933 1.627 223 HD23 LEU 26 HD23 LEU 26 -6.733 2.624 2.476 224 H LYS 27 HN LYS 27 -6.858 6.910 -2.198 225 HA LYS 27 HA LYS 27 -4.366 7.325 -3.462 226 HB2 LYS 27 HB2 LYS 27 -7.032 8.657 -3.946 227 HB3 LYS 27 HB1 LYS 27 -5.595 9.035 -4.878 228 HG2 LYS 27 HG2 LYS 27 -5.490 6.663 -5.595 229 HG3 LYS 27 HG1 LYS 27 -6.986 6.368 -4.712 230 HD2 LYS 27 HD2 LYS 27 -7.405 6.709 -7.120 231 HD3 LYS 27 HD1 LYS 27 -8.171 7.969 -6.147 232 HE2 LYS 27 HE2 LYS 27 -6.341 9.499 -6.696 233 HE3 LYS 27 HE1 LYS 27 -5.528 8.223 -7.599 234 HZ1 LYS 27 HZ1 LYS 27 -8.181 9.394 -8.286 235 HZ2 LYS 27 HZ2 LYS 27 -7.372 8.215 -9.164 236 HZ3 LYS 27 HZ3 LYS 27 -6.714 9.761 -9.022 237 H LYS 28 HN LYS 28 -6.137 9.214 -1.185 238 HA LYS 28 HA LYS 28 -4.695 11.615 -1.601 239 HB2 LYS 28 HB2 LYS 28 -6.155 10.718 0.885 240 HB3 LYS 28 HB1 LYS 28 -5.609 12.354 0.555 241 HG2 LYS 28 HG2 LYS 28 -7.763 10.808 -0.876 242 HG3 LYS 28 HG1 LYS 28 -7.962 12.241 0.127 243 HD2 LYS 28 HD2 LYS 28 -6.579 12.098 -2.568 244 HD3 LYS 28 HD1 LYS 28 -8.149 12.820 -2.232 245 HE2 LYS 28 HE2 LYS 28 -5.482 13.763 -1.177 246 HE3 LYS 28 HE1 LYS 28 -6.418 14.524 -2.451 247 HZ1 LYS 28 HZ1 LYS 28 -8.191 14.928 -0.831 248 HZ2 LYS 28 HZ2 LYS 28 -6.757 15.659 -0.369 249 HZ3 LYS 28 HZ3 LYS 28 -7.247 14.248 0.391 250 H LYS 29 HN LYS 29 -4.268 8.928 0.752 251 HA LYS 29 HA LYS 29 -1.983 10.184 1.738 252 HB2 LYS 29 HB2 LYS 29 -2.996 7.396 1.999 253 HB3 LYS 29 HB1 LYS 29 -1.608 8.060 2.872 254 HG2 LYS 29 HG2 LYS 29 -3.045 9.818 3.791 255 HG3 LYS 29 HG1 LYS 29 -4.433 9.080 2.990 256 HD2 LYS 29 HD2 LYS 29 -4.345 8.417 5.287 257 HD3 LYS 29 HD1 LYS 29 -4.043 7.080 4.154 258 HE2 LYS 29 HE2 LYS 29 -2.495 7.088 6.157 259 HE3 LYS 29 HE1 LYS 29 -1.683 7.087 4.606 260 HZ1 LYS 29 HZ1 LYS 29 -2.031 9.410 6.449 261 HZ2 LYS 29 HZ2 LYS 29 -1.442 9.584 4.890 262 HZ3 LYS 29 HZ3 LYS 29 -0.600 8.655 6.006 263 H LEU 30 HN LEU 30 -2.540 8.325 -1.031 264 HA LEU 30 HA LEU 30 0.158 7.480 -1.277 265 HB2 LEU 30 HB2 LEU 30 -2.026 7.650 -3.343 266 HB3 LEU 30 HB1 LEU 30 -0.434 6.983 -3.654 267 HG LEU 30 HG LEU 30 -2.449 5.877 -1.691 268 HD11 LEU 30 HD11 LEU 30 -1.562 4.852 -4.378 269 HD12 LEU 30 HD12 LEU 30 -3.142 5.539 -3.992 270 HD13 LEU 30 HD13 LEU 30 -2.636 4.021 -3.253 271 HD21 LEU 30 HD21 LEU 30 -0.170 5.436 -0.949 272 HD22 LEU 30 HD22 LEU 30 0.249 4.827 -2.549 273 HD23 LEU 30 HD23 LEU 30 -0.914 3.955 -1.554 274 H VAL 31 HN VAL 31 -1.606 10.358 -2.134 275 HA VAL 31 HA VAL 31 0.512 11.268 -3.829 276 HB VAL 31 HB VAL 31 -1.868 12.038 -4.153 277 HG11 VAL 31 HG11 VAL 31 -2.508 12.477 -1.890 278 HG12 VAL 31 HG12 VAL 31 -2.728 13.914 -2.891 279 HG13 VAL 31 HG13 VAL 31 -1.350 13.804 -1.794 280 HG21 VAL 31 HG21 VAL 31 -1.316 14.344 -4.798 281 HG22 VAL 31 HG22 VAL 31 -0.074 13.190 -5.285 282 HG23 VAL 31 HG23 VAL 31 0.183 14.220 -3.877 283 H GLU 32 HN GLU 32 0.017 11.279 -0.427 284 HA GLU 32 HA GLU 32 1.939 13.445 -0.078 285 HB2 GLU 32 HB2 GLU 32 1.560 13.214 2.312 286 HB3 GLU 32 HB1 GLU 32 -0.006 13.182 1.522 287 HG2 GLU 32 HG2 GLU 32 -0.045 10.737 1.712 288 HG3 GLU 32 HG1 GLU 32 1.523 10.778 2.490 289 H VAL 33 HN VAL 33 1.706 10.047 -0.259 290 HA VAL 33 HA VAL 33 4.049 9.472 1.229 291 HB VAL 33 HB VAL 33 1.894 8.036 0.785 292 HG11 VAL 33 HG11 VAL 33 2.168 6.233 -0.805 293 HG12 VAL 33 HG12 VAL 33 3.659 6.975 -1.381 294 HG13 VAL 33 HG13 VAL 33 2.129 7.806 -1.614 295 HG21 VAL 33 HG21 VAL 33 3.632 7.529 2.294 296 HG22 VAL 33 HG22 VAL 33 4.590 6.806 0.963 297 HG23 VAL 33 HG23 VAL 33 3.050 6.083 1.465 298 H LEU 34 HN LEU 34 3.292 9.996 -2.126 299 HA LEU 34 HA LEU 34 5.639 8.822 -3.190 300 HB2 LEU 34 HB2 LEU 34 3.846 10.953 -4.353 301 HB3 LEU 34 HB1 LEU 34 5.120 10.142 -5.239 302 HG LEU 34 HG LEU 34 2.725 8.732 -4.049 303 HD11 LEU 34 HD11 LEU 34 1.892 8.583 -6.323 304 HD12 LEU 34 HD12 LEU 34 3.300 9.455 -6.908 305 HD13 LEU 34 HD13 LEU 34 2.115 10.284 -5.888 306 HD21 LEU 34 HD21 LEU 34 4.848 7.810 -5.976 307 HD22 LEU 34 HD22 LEU 34 3.438 6.882 -5.485 308 HD23 LEU 34 HD23 LEU 34 4.674 7.299 -4.298 309 H GLU 35 HN GLU 35 5.254 11.608 -1.419 310 HA GLU 35 HA GLU 35 7.685 12.795 -2.493 311 HB2 GLU 35 HB2 GLU 35 5.757 14.277 -2.094 312 HB3 GLU 35 HB1 GLU 35 5.780 13.833 -0.393 313 HG2 GLU 35 HG2 GLU 35 7.958 14.855 -0.132 314 HG3 GLU 35 HG1 GLU 35 8.002 15.241 -1.853 315 H SER 36 HN SER 36 6.344 11.411 0.465 316 HA SER 36 HA SER 36 9.040 10.932 1.459 317 HB2 SER 36 HB2 SER 36 6.905 12.218 3.203 318 HB3 SER 36 HB1 SER 36 8.549 11.815 3.680 319 HG SER 36 HG SER 36 7.615 14.021 2.470 320 HA PRO 37 HA PRO 37 6.184 7.391 1.963 321 HB2 PRO 37 HB2 PRO 37 8.130 5.618 0.934 322 HB3 PRO 37 HB1 PRO 37 6.700 6.239 0.115 323 HG2 PRO 37 HG2 PRO 37 9.343 6.840 -0.566 324 HG3 PRO 37 HG1 PRO 37 7.914 7.749 -1.073 325 HD2 PRO 37 HD2 PRO 37 9.864 8.328 1.095 326 HD3 PRO 37 HD1 PRO 37 8.981 9.446 0.033 327 H ARG 38 HN ARG 38 9.335 7.865 3.277 328 HA ARG 38 HA ARG 38 9.145 5.343 4.672 329 HB2 ARG 38 HB2 ARG 38 11.327 7.410 4.873 330 HB3 ARG 38 HB1 ARG 38 11.343 5.835 5.653 331 HG2 ARG 38 HG2 ARG 38 11.108 4.864 3.319 332 HG3 ARG 38 HG1 ARG 38 11.529 6.472 2.727 333 HD2 ARG 38 HD2 ARG 38 13.531 5.183 2.831 334 HD3 ARG 38 HD1 ARG 38 13.581 6.350 4.152 335 HE ARG 38 HE ARG 38 12.513 3.725 4.781 336 HH11 ARG 38 HH11 ARG 38 15.275 5.896 4.972 337 HH12 ARG 38 HH12 ARG 38 16.133 4.957 6.107 338 HH21 ARG 38 HH21 ARG 38 13.620 2.434 6.252 339 HH22 ARG 38 HH22 ARG 38 15.149 2.878 6.887 340 H ILE 39 HN ILE 39 7.580 5.405 6.028 341 HA ILE 39 HA ILE 39 7.773 7.307 8.263 342 HB ILE 39 HB ILE 39 5.218 6.036 7.193 343 HG12 ILE 39 HG12 ILE 39 6.107 8.917 6.882 344 HG13 ILE 39 HG11 ILE 39 6.208 7.710 5.609 345 HG21 ILE 39 HG21 ILE 39 4.072 7.630 8.674 346 HG22 ILE 39 HG22 ILE 39 5.630 8.225 9.236 347 HG23 ILE 39 HG23 ILE 39 5.146 6.564 9.582 348 HD11 ILE 39 HD11 ILE 39 3.773 7.471 5.660 349 HD12 ILE 39 HD12 ILE 39 4.274 9.122 5.307 350 HD13 ILE 39 HD13 ILE 39 3.687 8.702 6.920 351 H GLU 40 HN GLU 40 8.927 5.886 9.598 352 HA GLU 40 HA GLU 40 8.326 3.115 9.648 353 HB2 GLU 40 HB2 GLU 40 9.909 2.923 11.516 354 HB3 GLU 40 HB1 GLU 40 10.571 3.787 10.142 355 HG2 GLU 40 HG2 GLU 40 10.279 5.885 11.281 356 HG3 GLU 40 HG1 GLU 40 9.497 5.065 12.634 357 H ALA 41 HN ALA 41 6.887 5.715 11.181 358 HA ALA 41 HA ALA 41 5.777 4.286 13.397 359 HB1 ALA 41 HB1 ALA 41 4.235 6.189 13.581 360 HB2 ALA 41 HB2 ALA 41 4.791 6.792 12.020 361 HB3 ALA 41 HB3 ALA 41 5.901 6.732 13.388 362 H ASN 42 HN ASN 42 5.355 3.960 10.129 363 HA ASN 42 HA ASN 42 2.669 2.799 10.454 364 HB2 ASN 42 HB2 ASN 42 3.978 4.070 8.039 365 HB3 ASN 42 HB1 ASN 42 2.624 2.977 7.885 366 HD21 ASN 42 HD21 ASN 42 2.762 5.238 10.564 367 HD22 ASN 42 HD22 ASN 42 1.560 6.304 9.937 368 H LYS 43 HN LYS 43 5.765 1.849 10.545 369 HA LYS 43 HA LYS 43 5.827 -0.097 8.385 370 HB2 LYS 43 HB2 LYS 43 7.956 -0.706 9.107 371 HB3 LYS 43 HB1 LYS 43 7.877 1.010 9.477 372 HG2 LYS 43 HG2 LYS 43 7.426 0.518 11.798 373 HG3 LYS 43 HG1 LYS 43 7.405 -1.209 11.446 374 HD2 LYS 43 HD2 LYS 43 9.782 -0.914 10.610 375 HD3 LYS 43 HD1 LYS 43 9.737 0.685 11.360 376 HE2 LYS 43 HE2 LYS 43 10.679 -0.813 12.956 377 HE3 LYS 43 HE1 LYS 43 9.043 -0.424 13.480 378 HZ1 LYS 43 HZ1 LYS 43 9.960 -2.915 12.176 379 HZ2 LYS 43 HZ2 LYS 43 8.335 -2.568 12.364 380 HZ3 LYS 43 HZ3 LYS 43 9.324 -2.759 13.723 381 H LEU 44 HN LEU 44 6.114 -2.346 8.693 382 HA LEU 44 HA LEU 44 4.164 -3.432 10.504 383 HB2 LEU 44 HB2 LEU 44 5.918 -4.698 8.408 384 HB3 LEU 44 HB1 LEU 44 4.666 -5.529 9.297 385 HG LEU 44 HG LEU 44 4.240 -3.266 7.340 386 HD11 LEU 44 HD11 LEU 44 4.876 -5.344 6.249 387 HD12 LEU 44 HD12 LEU 44 3.178 -4.973 5.953 388 HD13 LEU 44 HD13 LEU 44 3.616 -6.207 7.131 389 HD21 LEU 44 HD21 LEU 44 2.264 -4.920 8.904 390 HD22 LEU 44 HD22 LEU 44 1.853 -3.801 7.609 391 HD23 LEU 44 HD23 LEU 44 2.583 -3.193 9.097 392 H ARG 45 HN ARG 45 5.067 -5.816 11.138 393 HA ARG 45 HA ARG 45 7.011 -5.305 13.193 394 HB2 ARG 45 HB2 ARG 45 5.024 -6.723 13.614 395 HB3 ARG 45 HB1 ARG 45 5.609 -7.883 12.439 396 HG2 ARG 45 HG2 ARG 45 7.609 -8.251 13.872 397 HG3 ARG 45 HG1 ARG 45 6.899 -7.160 15.059 398 HD2 ARG 45 HD2 ARG 45 5.683 -9.752 14.096 399 HD3 ARG 45 HD1 ARG 45 6.478 -9.497 15.643 400 HE ARG 45 HE ARG 45 4.446 -7.627 15.442 401 HH11 ARG 45 HH11 ARG 45 4.728 -11.174 15.644 402 HH12 ARG 45 HH12 ARG 45 3.197 -11.379 16.363 403 HH21 ARG 45 HH21 ARG 45 2.303 -7.972 16.435 404 HH22 ARG 45 HH22 ARG 45 1.847 -9.565 16.830 405 H GLY 46 HN GLY 46 6.859 -8.050 10.931 406 HA2 GLY 46 HA2 GLY 46 9.637 -8.523 11.080 407 HA3 GLY 46 HA1 GLY 46 8.506 -9.282 9.980 408 H MET 47 HN MET 47 7.622 -6.856 8.800 409 HA MET 47 HA MET 47 9.781 -6.641 6.916 410 HB2 MET 47 HB2 MET 47 6.986 -5.524 6.820 411 HB3 MET 47 HB1 MET 47 8.172 -5.432 5.520 412 HG2 MET 47 HG2 MET 47 7.003 -7.948 6.670 413 HG3 MET 47 HG1 MET 47 6.563 -7.204 5.135 414 HE1 MET 47 HE1 MET 47 7.380 -10.227 5.533 415 HE2 MET 47 HE2 MET 47 8.479 -10.515 4.193 416 HE3 MET 47 HE3 MET 47 6.998 -9.591 3.929 417 HA PRO 48 HA PRO 48 11.122 -2.943 9.012 418 HB2 PRO 48 HB2 PRO 48 12.964 -2.547 6.767 419 HB3 PRO 48 HB1 PRO 48 13.328 -2.894 8.459 420 HG2 PRO 48 HG2 PRO 48 13.725 -4.707 6.507 421 HG3 PRO 48 HG1 PRO 48 13.255 -5.168 8.149 422 HD2 PRO 48 HD2 PRO 48 11.577 -4.965 5.683 423 HD3 PRO 48 HD1 PRO 48 11.586 -6.189 6.980 424 H ASP 49 HN ASP 49 11.060 -2.528 5.430 425 HA ASP 49 HA ASP 49 9.931 0.102 6.013 426 HB2 ASP 49 HB2 ASP 49 11.793 -0.711 3.803 427 HB3 ASP 49 HB1 ASP 49 10.864 0.785 3.734 428 H CYS 50 HN CYS 50 8.577 -2.391 5.637 429 HA CYS 50 HA CYS 50 6.853 -1.610 3.413 430 HB2 CYS 50 HB2 CYS 50 6.675 -4.057 5.185 431 HB3 CYS 50 HB1 CYS 50 5.773 -3.763 3.704 432 HG CYS 50 HG CYS 50 9.045 -3.634 3.178 433 H TYR 51 HN TYR 51 5.053 -0.543 3.911 434 HA TYR 51 HA TYR 51 4.517 -0.164 6.770 435 HB2 TYR 51 HB2 TYR 51 4.067 1.888 4.606 436 HB3 TYR 51 HB1 TYR 51 4.003 2.126 6.347 437 HD1 TYR 51 HD2 TYR 51 6.321 1.598 7.598 438 HD2 TYR 51 HD1 TYR 51 5.946 2.551 3.485 439 HE1 TYR 51 HE2 TYR 51 8.679 2.292 7.551 440 HE2 TYR 51 HE1 TYR 51 8.277 3.247 3.431 441 HH TYR 51 HH TYR 51 10.544 2.557 5.802 442 H LYS 52 HN LYS 52 2.273 0.815 7.030 443 HA LYS 52 HA LYS 52 0.312 -0.492 5.304 444 HB2 LYS 52 HB2 LYS 52 -0.901 -1.177 7.345 445 HB3 LYS 52 HB1 LYS 52 0.663 -1.958 7.232 446 HG2 LYS 52 HG2 LYS 52 1.604 -0.229 8.739 447 HG3 LYS 52 HG1 LYS 52 -0.011 0.445 8.893 448 HD2 LYS 52 HD2 LYS 52 -0.781 -1.611 9.931 449 HD3 LYS 52 HD1 LYS 52 0.824 -2.328 9.729 450 HE2 LYS 52 HE2 LYS 52 1.785 -0.531 11.098 451 HE3 LYS 52 HE1 LYS 52 0.171 0.140 11.311 452 HZ1 LYS 52 HZ1 LYS 52 1.178 -2.475 12.262 453 HZ2 LYS 52 HZ2 LYS 52 -0.452 -1.979 12.370 454 HZ3 LYS 52 HZ3 LYS 52 0.743 -1.153 13.228 455 H ILE 53 HN ILE 53 -1.700 0.492 5.451 456 HA ILE 53 HA ILE 53 -1.955 3.027 6.882 457 HB ILE 53 HB ILE 53 -2.820 2.481 4.013 458 HG12 ILE 53 HG12 ILE 53 -0.674 4.373 5.046 459 HG13 ILE 53 HG11 ILE 53 -0.417 2.889 4.152 460 HG21 ILE 53 HG21 ILE 53 -4.435 3.856 5.166 461 HG22 ILE 53 HG22 ILE 53 -3.567 4.817 3.971 462 HG23 ILE 53 HG23 ILE 53 -3.164 4.967 5.683 463 HD11 ILE 53 HD11 ILE 53 -1.807 5.335 3.071 464 HD12 ILE 53 HD12 ILE 53 -1.507 3.838 2.193 465 HD13 ILE 53 HD13 ILE 53 -0.151 4.840 2.716 466 H LYS 54 HN LYS 54 -3.743 2.716 8.183 467 HA LYS 54 HA LYS 54 -5.813 1.142 6.990 468 HB2 LYS 54 HB2 LYS 54 -6.285 0.099 9.300 469 HB3 LYS 54 HB1 LYS 54 -4.946 -0.517 8.369 470 HG2 LYS 54 HG2 LYS 54 -4.123 -0.415 10.550 471 HG3 LYS 54 HG1 LYS 54 -3.460 1.016 9.775 472 HD2 LYS 54 HD2 LYS 54 -4.228 1.588 11.988 473 HD3 LYS 54 HD1 LYS 54 -5.284 2.349 10.794 474 HE2 LYS 54 HE2 LYS 54 -6.948 0.629 11.110 475 HE3 LYS 54 HE1 LYS 54 -5.876 -0.248 12.204 476 HZ1 LYS 54 HZ1 LYS 54 -7.531 1.015 13.390 477 HZ2 LYS 54 HZ2 LYS 54 -7.004 2.448 12.674 478 HZ3 LYS 54 HZ3 LYS 54 -5.990 1.612 13.718 479 H LEU 55 HN LEU 55 -7.736 1.792 7.074 480 HA LEU 55 HA LEU 55 -8.033 4.552 7.528 481 HB2 LEU 55 HB2 LEU 55 -10.069 2.479 6.804 482 HB3 LEU 55 HB1 LEU 55 -10.404 4.199 6.832 483 HG LEU 55 HG LEU 55 -8.480 2.753 5.003 484 HD11 LEU 55 HD11 LEU 55 -11.053 4.203 4.465 485 HD12 LEU 55 HD12 LEU 55 -10.794 2.461 4.384 486 HD13 LEU 55 HD13 LEU 55 -9.978 3.535 3.242 487 HD21 LEU 55 HD21 LEU 55 -9.075 5.711 5.203 488 HD22 LEU 55 HD22 LEU 55 -8.159 4.940 3.912 489 HD23 LEU 55 HD23 LEU 55 -7.532 4.922 5.556 490 H ARG 56 HN ARG 56 -9.757 5.600 8.642 491 HA ARG 56 HA ARG 56 -9.383 5.182 11.408 492 HB2 ARG 56 HB2 ARG 56 -11.418 6.982 10.086 493 HB3 ARG 56 HB1 ARG 56 -10.764 7.138 11.707 494 HG2 ARG 56 HG2 ARG 56 -9.191 7.463 9.151 495 HG3 ARG 56 HG1 ARG 56 -9.787 8.777 10.159 496 HD2 ARG 56 HD2 ARG 56 -7.848 6.657 11.086 497 HD3 ARG 56 HD1 ARG 56 -7.369 8.229 10.467 498 HE ARG 56 HE ARG 56 -9.236 8.441 12.596 499 HH11 ARG 56 HH11 ARG 56 -5.818 7.766 11.979 500 HH12 ARG 56 HH12 ARG 56 -5.257 8.530 13.394 501 HH21 ARG 56 HH21 ARG 56 -8.467 9.487 14.569 502 HH22 ARG 56 HH22 ARG 56 -6.795 9.490 14.903 503 H SER 57 HN SER 57 -12.389 5.095 9.484 504 HA SER 57 HA SER 57 -13.255 2.909 11.183 505 HB2 SER 57 HB2 SER 57 -14.277 4.978 12.112 506 HB3 SER 57 HB1 SER 57 -14.974 5.332 10.535 507 HG SER 57 HG SER 57 -16.497 4.364 11.811 508 H SER 58 HN SER 58 -12.789 1.587 9.476 509 HA SER 58 HA SER 58 -14.799 1.282 7.454 510 HB2 SER 58 HB2 SER 58 -11.984 1.884 6.449 511 HB3 SER 58 HB1 SER 58 -13.398 1.513 5.472 512 HG SER 58 HG SER 58 -14.025 3.566 6.984 513 H GLY 59 HN GLY 59 -11.570 0.470 8.677 514 HA2 GLY 59 HA2 GLY 59 -10.766 -1.558 9.292 515 HA3 GLY 59 HA1 GLY 59 -12.220 -2.336 8.660 516 H TYR 60 HN TYR 60 -10.717 -0.184 6.544 517 HA TYR 60 HA TYR 60 -9.684 -2.442 5.020 518 HB2 TYR 60 HB2 TYR 60 -10.431 0.367 4.221 519 HB3 TYR 60 HB1 TYR 60 -9.531 -0.705 3.157 520 HD1 TYR 60 HD1 TYR 60 -12.768 -0.330 4.951 521 HD2 TYR 60 HD2 TYR 60 -10.643 -2.316 1.871 522 HE1 TYR 60 HE1 TYR 60 -14.882 -1.282 4.111 523 HE2 TYR 60 HE2 TYR 60 -12.737 -3.274 1.021 524 HH TYR 60 HH TYR 60 -15.679 -2.133 1.844 525 H ARG 61 HN ARG 61 -7.582 -2.440 4.205 526 HA ARG 61 HA ARG 61 -5.807 -0.477 5.392 527 HB2 ARG 61 HB2 ARG 61 -4.125 -2.265 5.843 528 HB3 ARG 61 HB1 ARG 61 -5.561 -2.447 6.829 529 HG2 ARG 61 HG2 ARG 61 -5.430 -3.971 4.272 530 HG3 ARG 61 HG1 ARG 61 -4.427 -4.531 5.622 531 HD2 ARG 61 HD2 ARG 61 -7.288 -3.886 6.013 532 HD3 ARG 61 HD1 ARG 61 -6.851 -5.413 5.216 533 HE ARG 61 HE ARG 61 -5.423 -5.649 7.396 534 HH11 ARG 61 HH11 ARG 61 -8.695 -4.171 7.357 535 HH12 ARG 61 HH12 ARG 61 -9.109 -4.912 8.812 536 HH21 ARG 61 HH21 ARG 61 -6.147 -6.648 9.401 537 HH22 ARG 61 HH22 ARG 61 -7.681 -6.263 9.988 538 H LEU 62 HN LEU 62 -3.681 -0.612 4.351 539 HA LEU 62 HA LEU 62 -3.609 -1.699 1.675 540 HB2 LEU 62 HB2 LEU 62 -4.395 0.689 1.513 541 HB3 LEU 62 HB1 LEU 62 -2.986 1.192 2.409 542 HG LEU 62 HG LEU 62 -2.742 -0.126 -0.307 543 HD11 LEU 62 HD11 LEU 62 -4.178 1.828 -0.553 544 HD12 LEU 62 HD12 LEU 62 -2.584 2.133 -1.244 545 HD13 LEU 62 HD13 LEU 62 -3.008 2.813 0.326 546 HD21 LEU 62 HD21 LEU 62 -0.696 0.013 1.032 547 HD22 LEU 62 HD22 LEU 62 -0.943 1.747 1.240 548 HD23 LEU 62 HD23 LEU 62 -0.613 1.089 -0.362 549 H VAL 63 HN VAL 63 -1.602 -2.489 1.321 550 HA VAL 63 HA VAL 63 0.431 -2.010 3.405 551 HB VAL 63 HB VAL 63 0.230 -4.536 1.771 552 HG11 VAL 63 HG11 VAL 63 2.341 -4.171 2.839 553 HG12 VAL 63 HG12 VAL 63 1.517 -5.527 3.616 554 HG13 VAL 63 HG13 VAL 63 1.549 -3.945 4.397 555 HG21 VAL 63 HG21 VAL 63 -1.119 -4.093 4.437 556 HG22 VAL 63 HG22 VAL 63 -0.891 -5.670 3.675 557 HG23 VAL 63 HG23 VAL 63 -1.900 -4.448 2.896 558 H TYR 64 HN TYR 64 2.381 -1.370 2.510 559 HA TYR 64 HA TYR 64 2.864 -1.923 -0.284 560 HB2 TYR 64 HB2 TYR 64 3.310 0.390 -0.906 561 HB3 TYR 64 HB1 TYR 64 1.666 0.254 -0.313 562 HD1 TYR 64 HD2 TYR 64 1.237 0.994 2.121 563 HD2 TYR 64 HD1 TYR 64 4.768 2.002 -0.037 564 HE1 TYR 64 HE2 TYR 64 1.645 2.857 3.667 565 HE2 TYR 64 HE1 TYR 64 5.182 3.865 1.512 566 HH TYR 64 HH TYR 64 3.527 4.203 4.450 567 H GLN 65 HN GLN 65 5.102 -0.989 -0.842 568 HA GLN 65 HA GLN 65 6.902 -1.087 1.459 569 HB2 GLN 65 HB2 GLN 65 6.852 -3.316 0.358 570 HB3 GLN 65 HB1 GLN 65 7.239 -2.535 -1.170 571 HG2 GLN 65 HG2 GLN 65 9.356 -1.689 -0.042 572 HG3 GLN 65 HG1 GLN 65 8.978 -2.796 1.272 573 HE21 GLN 65 HE21 GLN 65 8.352 -3.441 -2.094 574 HE22 GLN 65 HE22 GLN 65 9.529 -4.693 -2.270 575 H VAL 66 HN VAL 66 8.561 0.349 1.214 576 HA VAL 66 HA VAL 66 8.466 1.900 -1.240 577 HB VAL 66 HB VAL 66 8.265 3.304 0.765 578 HG11 VAL 66 HG11 VAL 66 9.469 1.882 2.349 579 HG12 VAL 66 HG12 VAL 66 10.028 3.553 2.362 580 HG13 VAL 66 HG13 VAL 66 10.996 2.309 1.561 581 HG21 VAL 66 HG21 VAL 66 10.916 3.632 -0.628 582 HG22 VAL 66 HG22 VAL 66 10.123 4.874 0.332 583 HG23 VAL 66 HG23 VAL 66 9.366 4.287 -1.154 584 H ILE 67 HN ILE 67 9.913 1.620 -2.691 585 HA ILE 67 HA ILE 67 12.424 0.343 -1.930 586 HB ILE 67 HB ILE 67 11.372 0.775 -4.741 587 HG12 ILE 67 HG12 ILE 67 11.115 -1.724 -3.021 588 HG13 ILE 67 HG11 ILE 67 9.785 -0.672 -3.484 589 HG21 ILE 67 HG21 ILE 67 13.460 -1.084 -3.567 590 HG22 ILE 67 HG22 ILE 67 13.793 0.396 -4.448 591 HG23 ILE 67 HG23 ILE 67 13.043 -0.975 -5.277 592 HD11 ILE 67 HD11 ILE 67 9.836 -2.698 -4.825 593 HD12 ILE 67 HD12 ILE 67 11.477 -2.312 -5.350 594 HD13 ILE 67 HD13 ILE 67 10.131 -1.274 -5.827 595 H ASP 68 HN ASP 68 13.832 1.868 -1.476 596 HA ASP 68 HA ASP 68 13.433 4.525 -2.448 597 HB2 ASP 68 HB2 ASP 68 15.257 5.198 -0.985 598 HB3 ASP 68 HB1 ASP 68 14.122 4.179 -0.118 599 H GLU 69 HN GLU 69 15.552 1.886 -3.260 600 HA GLU 69 HA GLU 69 17.206 3.665 -4.771 601 HB2 GLU 69 HB2 GLU 69 18.443 1.647 -5.554 602 HB3 GLU 69 HB1 GLU 69 18.382 1.822 -3.814 603 HG2 GLU 69 HG2 GLU 69 18.071 -0.495 -4.175 604 HG3 GLU 69 HG1 GLU 69 16.435 0.114 -3.952 605 H LYS 70 HN LYS 70 14.606 1.528 -5.584 606 HA LYS 70 HA LYS 70 14.787 2.062 -8.434 607 HB2 LYS 70 HB2 LYS 70 12.610 0.841 -6.748 608 HB3 LYS 70 HB1 LYS 70 12.506 0.989 -8.489 609 HG2 LYS 70 HG2 LYS 70 14.646 -0.486 -7.042 610 HG3 LYS 70 HG1 LYS 70 13.158 -1.250 -7.626 611 HD2 LYS 70 HD2 LYS 70 13.786 -0.536 -9.925 612 HD3 LYS 70 HD1 LYS 70 15.297 0.108 -9.280 613 HE2 LYS 70 HE2 LYS 70 14.436 -2.739 -8.930 614 HE3 LYS 70 HE1 LYS 70 15.463 -2.203 -10.282 615 HZ1 LYS 70 HZ1 LYS 70 16.712 -3.149 -8.438 616 HZ2 LYS 70 HZ2 LYS 70 16.064 -2.008 -7.379 617 HZ3 LYS 70 HZ3 LYS 70 17.078 -1.511 -8.597 618 H VAL 71 HN VAL 71 13.544 3.517 -5.685 619 HA VAL 71 HA VAL 71 12.377 5.337 -5.198 620 HB VAL 71 HB VAL 71 12.715 6.196 -8.083 621 HG11 VAL 71 HG11 VAL 71 12.467 7.789 -5.551 622 HG12 VAL 71 HG12 VAL 71 11.184 7.421 -6.693 623 HG13 VAL 71 HG13 VAL 71 12.548 8.441 -7.210 624 HG21 VAL 71 HG21 VAL 71 14.759 7.293 -7.407 625 HG22 VAL 71 HG22 VAL 71 14.848 5.527 -7.188 626 HG23 VAL 71 HG23 VAL 71 14.608 6.585 -5.789 627 H VAL 72 HN VAL 72 10.671 3.664 -5.086 628 HA VAL 72 HA VAL 72 8.383 4.594 -6.533 629 HB VAL 72 HB VAL 72 9.313 3.018 -8.162 630 HG11 VAL 72 HG11 VAL 72 9.477 0.625 -7.709 631 HG12 VAL 72 HG12 VAL 72 9.096 0.928 -6.011 632 HG13 VAL 72 HG13 VAL 72 10.581 1.576 -6.712 633 HG21 VAL 72 HG21 VAL 72 7.369 1.562 -8.469 634 HG22 VAL 72 HG22 VAL 72 6.892 3.203 -8.027 635 HG23 VAL 72 HG23 VAL 72 6.850 1.920 -6.822 636 H VAL 73 HN VAL 73 6.513 4.205 -5.493 637 HA VAL 73 HA VAL 73 6.612 2.827 -2.949 638 HB VAL 73 HB VAL 73 4.462 4.570 -4.216 639 HG11 VAL 73 HG11 VAL 73 3.416 4.596 -2.020 640 HG12 VAL 73 HG12 VAL 73 4.680 3.545 -1.397 641 HG13 VAL 73 HG13 VAL 73 3.553 2.940 -2.615 642 HG21 VAL 73 HG21 VAL 73 6.425 5.839 -3.724 643 HG22 VAL 73 HG22 VAL 73 6.478 5.201 -2.076 644 HG23 VAL 73 HG23 VAL 73 5.151 6.258 -2.578 645 H PHE 74 HN PHE 74 6.431 0.738 -3.412 646 HA PHE 74 HA PHE 74 4.632 -0.084 -5.526 647 HB2 PHE 74 HB2 PHE 74 6.842 -0.997 -5.722 648 HB3 PHE 74 HB1 PHE 74 6.829 -1.544 -4.054 649 HD1 PHE 74 HD2 PHE 74 4.232 -1.962 -6.708 650 HD2 PHE 74 HD1 PHE 74 7.095 -3.827 -4.174 651 HE1 PHE 74 HE2 PHE 74 3.419 -4.164 -7.413 652 HE2 PHE 74 HE1 PHE 74 6.284 -6.033 -4.880 653 HZ PHE 74 HZ PHE 74 4.438 -6.200 -6.505 654 H VAL 75 HN VAL 75 2.675 -0.113 -4.777 655 HA VAL 75 HA VAL 75 1.987 -0.981 -2.155 656 HB VAL 75 HB VAL 75 0.190 -0.518 -4.550 657 HG11 VAL 75 HG11 VAL 75 -1.606 -0.278 -2.890 658 HG12 VAL 75 HG12 VAL 75 -0.472 -0.726 -1.615 659 HG13 VAL 75 HG13 VAL 75 -0.891 -1.891 -2.869 660 HG21 VAL 75 HG21 VAL 75 0.939 1.333 -2.288 661 HG22 VAL 75 HG22 VAL 75 -0.260 1.674 -3.537 662 HG23 VAL 75 HG23 VAL 75 1.439 1.486 -3.973 663 H ILE 76 HN ILE 76 1.524 -2.883 -1.515 664 HA ILE 76 HA ILE 76 1.916 -5.166 -3.255 665 HB ILE 76 HB ILE 76 1.474 -5.024 -0.275 666 HG12 ILE 76 HG12 ILE 76 3.467 -3.741 -0.980 667 HG13 ILE 76 HG11 ILE 76 3.902 -5.132 -0.005 668 HG21 ILE 76 HG21 ILE 76 2.517 -7.233 -0.245 669 HG22 ILE 76 HG22 ILE 76 2.563 -7.238 -2.009 670 HG23 ILE 76 HG23 ILE 76 1.015 -7.216 -1.158 671 HD11 ILE 76 HD11 ILE 76 5.441 -4.829 -1.837 672 HD12 ILE 76 HD12 ILE 76 4.118 -4.878 -3.001 673 HD13 ILE 76 HD13 ILE 76 4.530 -6.319 -2.065 674 H SER 77 HN SER 77 -0.509 -4.023 -0.865 675 HA SER 77 HA SER 77 -2.534 -5.513 -2.319 676 HB2 SER 77 HB2 SER 77 -1.637 -7.057 -0.571 677 HB3 SER 77 HB1 SER 77 -2.079 -5.877 0.658 678 HG SER 77 HG SER 77 -4.109 -6.477 0.499 679 H VAL 78 HN VAL 78 -4.651 -4.806 -1.829 680 HA VAL 78 HA VAL 78 -4.908 -2.335 -0.300 681 HB VAL 78 HB VAL 78 -6.048 -2.769 -3.101 682 HG11 VAL 78 HG11 VAL 78 -6.807 -0.455 -2.971 683 HG12 VAL 78 HG12 VAL 78 -6.164 -0.343 -1.332 684 HG13 VAL 78 HG13 VAL 78 -7.496 -1.440 -1.677 685 HG21 VAL 78 HG21 VAL 78 -4.586 -0.970 -3.864 686 HG22 VAL 78 HG22 VAL 78 -3.639 -2.312 -3.210 687 HG23 VAL 78 HG23 VAL 78 -3.879 -0.852 -2.254 688 H GLY 79 HN GLY 79 -6.830 -2.367 0.845 689 HA2 GLY 79 HA2 GLY 79 -9.200 -2.820 0.738 690 HA3 GLY 79 HA1 GLY 79 -8.806 -4.360 0.002 691 H LYS 80 HN LYS 80 -10.114 -5.270 1.663 692 HA LYS 80 HA LYS 80 -8.886 -5.296 4.299 693 HB2 LYS 80 HB2 LYS 80 -11.534 -6.351 3.345 694 HB3 LYS 80 HB1 LYS 80 -10.841 -6.742 4.905 695 HG2 LYS 80 HG2 LYS 80 -10.857 -4.338 5.438 696 HG3 LYS 80 HG1 LYS 80 -11.699 -4.053 3.915 697 HD2 LYS 80 HD2 LYS 80 -13.333 -4.135 5.685 698 HD3 LYS 80 HD1 LYS 80 -13.518 -5.562 4.679 699 HE2 LYS 80 HE2 LYS 80 -11.917 -5.622 7.249 700 HE3 LYS 80 HE1 LYS 80 -13.655 -5.838 7.262 701 HZ1 LYS 80 HZ1 LYS 80 -11.664 -7.700 5.964 702 HZ2 LYS 80 HZ2 LYS 80 -13.311 -7.822 5.809 703 HZ3 LYS 80 HZ3 LYS 80 -12.622 -7.963 7.310 704 H ALA 81 HN ALA 81 -8.588 -7.212 5.357 705 HA ALA 81 HA ALA 81 -8.295 -9.589 3.715 706 HB1 ALA 81 HB1 ALA 81 -6.817 -8.696 6.206 707 HB2 ALA 81 HB2 ALA 81 -6.133 -8.823 4.585 708 HB3 ALA 81 HB3 ALA 81 -6.644 -10.276 5.444 709 H GLU 82 HN GLU 82 -9.094 -11.442 4.807 710 HA GLU 82 HA GLU 82 -11.226 -10.970 6.646 711 HB2 GLU 82 HB2 GLU 82 -11.265 -13.557 6.668 712 HB3 GLU 82 HB1 GLU 82 -11.683 -12.753 5.168 713 HG2 GLU 82 HG2 GLU 82 -8.891 -13.616 5.682 714 HG3 GLU 82 HG1 GLU 82 -10.070 -14.821 5.155 715 H ALA 83 HN ALA 83 -10.096 -9.979 8.250 716 HA ALA 83 HA ALA 83 -7.723 -11.104 9.357 717 HB1 ALA 83 HB1 ALA 83 -9.297 -8.721 10.194 718 HB2 ALA 83 HB2 ALA 83 -8.030 -8.776 8.964 719 HB3 ALA 83 HB3 ALA 83 -7.634 -9.122 10.656 720 H SER 84 HN SER 84 -11.074 -11.023 10.322 721 HA SER 84 HA SER 84 -10.709 -11.351 13.063 722 HB2 SER 84 HB2 SER 84 -13.023 -12.356 11.414 723 HB3 SER 84 HB1 SER 84 -13.035 -11.882 13.112 724 HG SER 84 HG SER 84 -12.584 -9.773 12.511 725 H GLU 85 HN GLU 85 -10.791 -13.711 10.446 726 HA GLU 85 HA GLU 85 -9.881 -15.746 12.370 727 HB2 GLU 85 HB2 GLU 85 -11.820 -16.218 10.102 728 HB3 GLU 85 HB1 GLU 85 -11.167 -17.460 11.156 729 HG2 GLU 85 HG2 GLU 85 -12.281 -16.343 13.066 730 HG3 GLU 85 HG1 GLU 85 -13.000 -15.205 11.931 731 H VAL 86 HN VAL 86 -8.422 -13.993 10.523 732 HA VAL 86 HA VAL 86 -7.637 -15.299 8.172 733 HB VAL 86 HB VAL 86 -7.049 -12.950 8.571 734 HG11 VAL 86 HG11 VAL 86 -5.223 -12.266 10.048 735 HG12 VAL 86 HG12 VAL 86 -5.060 -13.919 10.614 736 HG13 VAL 86 HG13 VAL 86 -6.539 -13.021 10.947 737 HG21 VAL 86 HG21 VAL 86 -4.602 -14.662 8.160 738 HG22 VAL 86 HG22 VAL 86 -4.716 -12.950 7.768 739 HG23 VAL 86 HG23 VAL 86 -5.724 -14.120 6.910 740 H TYR 87 HN TYR 87 -6.335 -15.504 11.359 741 HA TYR 87 HA TYR 87 -4.119 -17.100 10.846 742 HB2 TYR 87 HB2 TYR 87 -4.290 -17.583 13.358 743 HB3 TYR 87 HB1 TYR 87 -4.069 -15.914 12.848 744 HD1 TYR 87 HD2 TYR 87 -6.488 -18.325 14.240 745 HD2 TYR 87 HD1 TYR 87 -5.779 -14.272 13.186 746 HE1 TYR 87 HE2 TYR 87 -8.504 -17.651 15.468 747 HE2 TYR 87 HE1 TYR 87 -7.785 -13.589 14.412 748 HH TYR 87 HH TYR 87 -9.913 -14.639 15.097 749 H SER 88 HN SER 88 -7.463 -17.975 11.206 750 HA SER 88 HA SER 88 -7.110 -20.627 12.049 751 HB2 SER 88 HB2 SER 88 -9.402 -19.441 10.493 752 HB3 SER 88 HB1 SER 88 -9.452 -20.820 11.597 753 HG SER 88 HG SER 88 -9.978 -19.310 13.003 754 H GLU 89 HN GLU 89 -6.596 -19.118 9.012 755 HA GLU 89 HA GLU 89 -7.091 -21.369 7.325 756 HB2 GLU 89 HB2 GLU 89 -7.083 -19.026 6.527 757 HB3 GLU 89 HB1 GLU 89 -5.363 -18.929 6.869 758 HG2 GLU 89 HG2 GLU 89 -5.744 -19.256 4.508 759 HG3 GLU 89 HG1 GLU 89 -4.943 -20.666 5.204 760 H ALA 90 HN ALA 90 -4.271 -19.910 8.858 761 HA ALA 90 HA ALA 90 -2.536 -22.023 7.922 762 HB1 ALA 90 HB1 ALA 90 -1.658 -19.738 8.091 763 HB2 ALA 90 HB2 ALA 90 -0.781 -20.832 9.163 764 HB3 ALA 90 HB3 ALA 90 -1.995 -19.738 9.822 765 H VAL 91 HN VAL 91 -3.499 -20.760 11.091 766 HA VAL 91 HA VAL 91 -2.931 -23.398 12.095 767 HB VAL 91 HB VAL 91 -2.866 -22.420 14.339 768 HG11 VAL 91 HG11 VAL 91 -0.886 -21.296 12.337 769 HG12 VAL 91 HG12 VAL 91 -0.791 -22.870 13.125 770 HG13 VAL 91 HG13 VAL 91 -0.593 -21.396 14.073 771 HG21 VAL 91 HG21 VAL 91 -4.087 -20.346 14.025 772 HG22 VAL 91 HG22 VAL 91 -2.890 -19.800 12.854 773 HG23 VAL 91 HG23 VAL 91 -2.444 -19.949 14.556 774 H LYS 92 HN LYS 92 -4.604 -24.430 11.759 775 HA LYS 92 HA LYS 92 -7.234 -23.530 12.485 776 HB2 LYS 92 HB2 LYS 92 -7.835 -25.939 11.677 777 HB3 LYS 92 HB1 LYS 92 -7.300 -24.748 10.508 778 HG2 LYS 92 HG2 LYS 92 -6.102 -26.642 9.865 779 HG3 LYS 92 HG1 LYS 92 -4.959 -25.777 10.888 780 HD2 LYS 92 HD2 LYS 92 -5.522 -27.235 12.760 781 HD3 LYS 92 HD1 LYS 92 -6.663 -28.115 11.740 782 HE2 LYS 92 HE2 LYS 92 -4.780 -28.680 10.214 783 HE3 LYS 92 HE1 LYS 92 -3.687 -27.893 11.349 784 HZ1 LYS 92 HZ1 LYS 92 -5.379 -30.261 11.955 785 HZ2 LYS 92 HZ2 LYS 92 -4.344 -29.513 13.039 786 HZ3 LYS 92 HZ3 LYS 92 -3.724 -30.291 11.682 787 H ARG 93 HN ARG 93 -6.142 -23.264 14.641 788 HA ARG 93 HA ARG 93 -6.036 -23.639 16.812 789 HB2 ARG 93 HB2 ARG 93 -8.366 -24.411 16.777 790 HB3 ARG 93 HB1 ARG 93 -7.854 -26.026 16.318 791 HG2 ARG 93 HG2 ARG 93 -8.514 -25.881 18.683 792 HG3 ARG 93 HG1 ARG 93 -6.826 -26.347 18.496 793 HD2 ARG 93 HD2 ARG 93 -7.130 -24.710 20.298 794 HD3 ARG 93 HD1 ARG 93 -6.118 -24.070 19.010 795 HE ARG 93 HE ARG 93 -8.896 -23.402 18.743 796 HH11 ARG 93 HH11 ARG 93 -5.825 -22.388 20.267 797 HH12 ARG 93 HH12 ARG 93 -6.311 -20.780 20.448 798 HH21 ARG 93 HH21 ARG 93 -9.508 -21.201 18.994 799 HH22 ARG 93 HH22 ARG 93 -8.444 -20.056 19.684 800 H ILE 94 HN ILE 94 -3.916 -23.883 16.262 801 HA ILE 94 HA ILE 94 -2.790 -26.574 16.566 802 HB ILE 94 HB ILE 94 -1.463 -23.925 15.867 803 HG12 ILE 94 HG12 ILE 94 -2.863 -24.742 14.035 804 HG13 ILE 94 HG11 ILE 94 -1.160 -24.855 13.609 805 HG21 ILE 94 HG21 ILE 94 0.118 -25.335 17.029 806 HG22 ILE 94 HG22 ILE 94 0.556 -25.225 15.324 807 HG23 ILE 94 HG23 ILE 94 -0.232 -26.677 15.939 808 HD11 ILE 94 HD11 ILE 94 -2.390 -26.794 12.846 809 HD12 ILE 94 HD12 ILE 94 -2.925 -27.115 14.495 810 HD13 ILE 94 HD13 ILE 94 -1.217 -27.250 14.084 811 H LEU 95 HN LEU 95 -3.147 -23.453 18.029 812 HA LEU 95 HA LEU 95 -1.482 -24.202 20.274 813 HB2 LEU 95 HB2 LEU 95 -2.880 -21.598 19.645 814 HB3 LEU 95 HB1 LEU 95 -1.800 -21.874 20.996 815 HG LEU 95 HG LEU 95 -1.045 -21.878 18.072 816 HD11 LEU 95 HD11 LEU 95 -1.448 -19.656 18.986 817 HD12 LEU 95 HD12 LEU 95 0.264 -19.910 18.645 818 HD13 LEU 95 HD13 LEU 95 -0.325 -19.992 20.305 819 HD21 LEU 95 HD21 LEU 95 0.669 -22.318 20.509 820 HD22 LEU 95 HD22 LEU 95 1.253 -22.160 18.851 821 HD23 LEU 95 HD23 LEU 95 0.259 -23.538 19.303 822 H LYS 47 H LYS 47 -0.085 -3.488 22.442 823 HA LYS 47 HA LYS 47 0.412 -2.871 24.689 824 HB2 LYS 47 HB2 LYS 47 0.352 -5.257 24.074 825 HB3 LYS 47 HB1 LYS 47 2.064 -5.208 23.705 826 HG2 LYS 47 HG2 LYS 47 2.469 -4.618 26.117 827 HG3 LYS 47 HG1 LYS 47 0.763 -4.920 26.406 828 HD2 LYS 47 HD2 LYS 47 2.735 -6.941 25.309 829 HD3 LYS 47 HD1 LYS 47 2.151 -6.877 26.969 830 HE2 LYS 47 HE2 LYS 47 -0.132 -7.305 26.174 831 HE3 LYS 47 HE1 LYS 47 0.453 -7.343 24.514 832 HZ1 LYS 47 HZ1 LYS 47 1.289 -9.220 26.658 833 HZ2 LYS 47 HZ2 LYS 47 1.792 -9.265 25.052 834 HZ3 LYS 47 HZ3 LYS 47 0.187 -9.560 25.424 835 H GLN 48 HN GLN 48 3.508 -3.773 23.180 836 HA GLN 48 HA GLN 48 4.874 -2.190 25.217 837 HB2 GLN 48 HB2 GLN 48 5.861 -4.363 23.384 838 HB3 GLN 48 HB1 GLN 48 6.858 -3.504 24.552 839 HG2 GLN 48 HG2 GLN 48 5.538 -4.352 26.383 840 HG3 GLN 48 HG1 GLN 48 4.404 -5.082 25.259 841 HE21 GLN 48 HE21 GLN 48 7.845 -5.212 24.703 842 HE22 GLN 48 HE22 GLN 48 8.004 -6.896 25.029 843 H THR 49 HN THR 49 4.103 -1.931 21.903 844 HA THR 49 HA THR 49 5.753 0.372 21.606 845 HB THR 49 HB THR 49 7.425 -1.383 21.162 846 HG1 THR 49 HG1 THR 49 8.150 -0.653 19.249 847 HG21 THR 49 HG21 THR 49 6.002 -3.214 20.510 848 HG22 THR 49 HG22 THR 49 7.152 -2.906 19.204 849 HG23 THR 49 HG23 THR 49 5.480 -2.334 19.079 850 H LEU 50 HN LEU 50 5.654 0.548 18.894 851 HA LEU 50 HA LEU 50 2.989 1.448 18.458 852 HB2 LEU 50 HB2 LEU 50 4.998 2.568 17.544 853 HB3 LEU 50 HB1 LEU 50 5.311 1.193 16.526 854 HG LEU 50 HG LEU 50 4.411 3.221 15.357 855 HD11 LEU 50 HD11 LEU 50 2.819 2.071 13.915 856 HD12 LEU 50 HD12 LEU 50 2.711 0.756 15.087 857 HD13 LEU 50 HD13 LEU 50 4.237 1.081 14.265 858 HD21 LEU 50 HD21 LEU 50 2.021 3.722 15.508 859 HD22 LEU 50 HD22 LEU 50 2.839 3.980 17.048 860 HD23 LEU 50 HD23 LEU 50 1.852 2.541 16.803 861 H LEU 51 HN LEU 51 4.777 -1.369 17.320 862 HA LEU 51 HA LEU 51 2.709 -2.154 15.524 863 HB2 LEU 51 HB2 LEU 51 4.007 -4.244 15.197 864 HB3 LEU 51 HB1 LEU 51 4.950 -2.795 14.956 865 HG LEU 51 HG LEU 51 5.824 -3.202 17.342 866 HD11 LEU 51 HD11 LEU 51 5.862 -5.527 18.087 867 HD12 LEU 51 HD12 LEU 51 4.769 -5.963 16.773 868 HD13 LEU 51 HD13 LEU 51 4.220 -4.876 18.051 869 HD21 LEU 51 HD21 LEU 51 6.548 -5.087 15.124 870 HD22 LEU 51 HD22 LEU 51 7.554 -4.712 16.525 871 HD23 LEU 51 HD23 LEU 51 7.178 -3.454 15.348 872 H SER 52 HN SER 52 1.406 -4.130 15.623 873 HA SER 52 HA SER 52 0.798 -5.000 18.304 874 HB2 SER 52 HB2 SER 52 -1.031 -3.780 16.248 875 HB3 SER 52 HB1 SER 52 -1.578 -4.669 17.669 876 HG SER 52 HG SER 52 0.252 -2.752 18.282 877 H ASP 53 HN ASP 53 -1.439 -6.552 17.433 878 HA ASP 53 HA ASP 53 -0.119 -8.792 16.322 879 HB2 ASP 53 HB2 ASP 53 -1.941 -9.125 17.873 880 HB3 ASP 53 HB1 ASP 53 -3.056 -8.289 16.795 881 H GLU 54 HN GLU 54 -2.153 -6.324 14.953 882 HA GLU 54 HA GLU 54 -2.804 -7.449 12.499 883 HB2 GLU 54 HB2 GLU 54 -2.954 -5.107 11.680 884 HB3 GLU 54 HB1 GLU 54 -3.799 -5.392 13.197 885 HG2 GLU 54 HG2 GLU 54 -2.005 -4.378 14.438 886 HG3 GLU 54 HG1 GLU 54 -1.056 -4.182 12.968 887 H ASP 55 HN ASP 55 0.232 -6.173 13.556 888 HA ASP 55 HA ASP 55 1.346 -5.847 10.975 889 HB2 ASP 55 HB2 ASP 55 2.696 -6.217 13.642 890 HB3 ASP 55 HB1 ASP 55 3.510 -5.742 12.148 891 H ALA 56 HN ALA 56 0.953 -8.506 13.081 892 HA ALA 56 HA ALA 56 2.812 -10.253 11.717 893 HB1 ALA 56 HB1 ALA 56 0.521 -10.924 13.561 894 HB2 ALA 56 HB2 ALA 56 2.188 -10.645 14.070 895 HB3 ALA 56 HB3 ALA 56 1.789 -12.038 13.054 896 H GLU 57 HN GLU 57 -0.361 -9.147 11.290 897 HA GLU 57 HA GLU 57 -1.469 -11.359 9.847 898 HB2 GLU 57 HB2 GLU 57 -2.677 -9.796 11.365 899 HB3 GLU 57 HB1 GLU 57 -2.260 -8.509 10.249 900 HG2 GLU 57 HG2 GLU 57 -3.618 -9.560 8.541 901 HG3 GLU 57 HG1 GLU 57 -4.067 -10.819 9.699 902 H LEU 58 HN LEU 58 -0.377 -8.060 9.274 903 HA LEU 58 HA LEU 58 -0.770 -8.264 6.494 904 HB2 LEU 58 HB2 LEU 58 0.493 -6.136 8.179 905 HB3 LEU 58 HB1 LEU 58 0.575 -6.080 6.444 906 HG LEU 58 HG LEU 58 -1.872 -6.023 6.285 907 HD11 LEU 58 HD11 LEU 58 -3.285 -5.597 8.206 908 HD12 LEU 58 HD12 LEU 58 -1.910 -5.888 9.276 909 HD13 LEU 58 HD13 LEU 58 -2.535 -7.192 8.268 910 HD21 LEU 58 HD21 LEU 58 -0.787 -3.905 8.111 911 HD22 LEU 58 HD22 LEU 58 -2.195 -3.750 7.058 912 HD23 LEU 58 HD23 LEU 58 -0.582 -3.951 6.367 913 H VAL 59 HN VAL 59 1.999 -9.012 8.496 914 HA VAL 59 HA VAL 59 3.820 -8.827 6.342 915 HB VAL 59 HB VAL 59 5.436 -10.196 7.582 916 HG11 VAL 59 HG11 VAL 59 5.797 -8.715 9.472 917 HG12 VAL 59 HG12 VAL 59 4.170 -8.068 9.269 918 HG13 VAL 59 HG13 VAL 59 5.376 -7.832 8.004 919 HG21 VAL 59 HG21 VAL 59 4.002 -11.787 8.662 920 HG22 VAL 59 HG22 VAL 59 3.239 -10.519 9.619 921 HG23 VAL 59 HG23 VAL 59 4.933 -10.936 9.899 922 H GLU 60 HN GLU 60 1.732 -11.442 7.381 923 HA GLU 60 HA GLU 60 2.975 -13.281 5.619 924 HB2 GLU 60 HB2 GLU 60 1.020 -14.760 6.066 925 HB3 GLU 60 HB1 GLU 60 1.852 -14.219 7.509 926 HG2 GLU 60 HG2 GLU 60 0.111 -12.593 7.938 927 HG3 GLU 60 HG1 GLU 60 -0.705 -13.053 6.441 928 H ILE 61 HN ILE 61 0.597 -10.890 5.274 929 HA ILE 61 HA ILE 61 -0.543 -11.843 2.814 930 HB ILE 61 HB ILE 61 -0.621 -9.096 4.115 931 HG12 ILE 61 HG12 ILE 61 -2.712 -11.285 4.012 932 HG13 ILE 61 HG11 ILE 61 -1.698 -10.914 5.400 933 HG21 ILE 61 HG21 ILE 61 -2.249 -10.150 1.788 934 HG22 ILE 61 HG22 ILE 61 -0.998 -8.915 1.696 935 HG23 ILE 61 HG23 ILE 61 -2.488 -8.594 2.587 936 HD11 ILE 61 HD11 ILE 61 -2.725 -8.702 5.551 937 HD12 ILE 61 HD12 ILE 61 -3.929 -9.984 5.649 938 HD13 ILE 61 HD13 ILE 61 -3.730 -9.073 4.150 939 H VAL 62 HN VAL 62 1.871 -9.395 3.658 940 HA VAL 62 HA VAL 62 2.311 -8.652 0.992 941 HB VAL 62 HB VAL 62 2.910 -7.031 2.714 942 HG11 VAL 62 HG11 VAL 62 3.479 -8.563 4.453 943 HG12 VAL 62 HG12 VAL 62 4.720 -7.320 4.255 944 HG13 VAL 62 HG13 VAL 62 4.997 -8.962 3.652 945 HG21 VAL 62 HG21 VAL 62 5.138 -6.350 2.044 946 HG22 VAL 62 HG22 VAL 62 4.269 -6.957 0.628 947 HG23 VAL 62 HG23 VAL 62 5.467 -7.960 1.423 948 H LYS 63 HN LYS 63 4.022 -10.954 3.061 949 HA LYS 63 HA LYS 63 6.064 -11.564 1.203 950 HB2 LYS 63 HB2 LYS 63 6.536 -13.519 2.534 951 HB3 LYS 63 HB1 LYS 63 6.196 -12.171 3.605 952 HG2 LYS 63 HG2 LYS 63 3.918 -13.026 3.910 953 HG3 LYS 63 HG1 LYS 63 4.320 -14.410 2.902 954 HD2 LYS 63 HD2 LYS 63 5.607 -13.690 5.543 955 HD3 LYS 63 HD1 LYS 63 4.476 -15.006 5.258 956 HE2 LYS 63 HE2 LYS 63 6.104 -15.961 3.620 957 HE3 LYS 63 HE1 LYS 63 7.245 -14.719 4.113 958 HZ1 LYS 63 HZ1 LYS 63 7.133 -15.582 6.380 959 HZ2 LYS 63 HZ2 LYS 63 7.680 -16.742 5.285 960 HZ3 LYS 63 HZ3 LYS 63 6.091 -16.806 5.855 961 H GLU 64 HN GLU 64 2.753 -12.526 1.407 962 HA GLU 64 HA GLU 64 2.845 -14.785 -0.282 963 HB2 GLU 64 HB2 GLU 64 0.828 -14.457 0.973 964 HB3 GLU 64 HB1 GLU 64 0.639 -12.818 0.364 965 HG2 GLU 64 HG2 GLU 64 0.182 -13.626 -1.829 966 HG3 GLU 64 HG1 GLU 64 0.460 -15.290 -1.348 967 H ARG 65 HN ARG 65 1.977 -11.423 -0.913 968 HA ARG 65 HA ARG 65 1.849 -11.945 -3.691 969 HB2 ARG 65 HB2 ARG 65 1.702 -9.419 -2.124 970 HB3 ARG 65 HB1 ARG 65 1.504 -9.450 -3.886 971 HG2 ARG 65 HG2 ARG 65 -0.412 -10.999 -3.554 972 HG3 ARG 65 HG1 ARG 65 -0.207 -10.831 -1.812 973 HD2 ARG 65 HD2 ARG 65 -0.593 -8.438 -2.004 974 HD3 ARG 65 HD1 ARG 65 -0.829 -8.605 -3.747 975 HE ARG 65 HE ARG 65 -2.536 -10.106 -1.900 976 HH11 ARG 65 HH11 ARG 65 -2.236 -7.604 -4.381 977 HH12 ARG 65 HH12 ARG 65 -3.912 -7.340 -4.516 978 HH21 ARG 65 HH21 ARG 65 -4.819 -9.795 -2.106 979 HH22 ARG 65 HH22 ARG 65 -5.476 -8.679 -3.204 980 H LEU 66 HN LEU 66 4.450 -11.123 -1.642 981 HA LEU 66 HA LEU 66 6.034 -9.856 -3.652 982 HB2 LEU 66 HB2 LEU 66 6.823 -11.122 -1.048 983 HB3 LEU 66 HB1 LEU 66 8.003 -10.458 -2.155 984 HG LEU 66 HG LEU 66 5.792 -8.902 -0.809 985 HD11 LEU 66 HD11 LEU 66 7.617 -7.859 0.439 986 HD12 LEU 66 HD12 LEU 66 8.771 -8.939 -0.344 987 HD13 LEU 66 HD13 LEU 66 7.543 -9.596 0.738 988 HD21 LEU 66 HD21 LEU 66 6.952 -6.932 -1.729 989 HD22 LEU 66 HD22 LEU 66 6.323 -7.966 -3.001 990 HD23 LEU 66 HD23 LEU 66 8.043 -7.994 -2.616 991 H ARG 67 HN ARG 67 5.246 -13.137 -3.200 992 HA ARG 67 HA ARG 67 7.642 -14.149 -4.431 993 HB2 ARG 67 HB2 ARG 67 6.541 -16.335 -4.511 994 HB3 ARG 67 HB1 ARG 67 6.334 -15.611 -2.929 995 HG2 ARG 67 HG2 ARG 67 4.052 -14.949 -3.554 996 HG3 ARG 67 HG1 ARG 67 4.281 -15.713 -5.123 997 HD2 ARG 67 HD2 ARG 67 4.466 -17.141 -2.480 998 HD3 ARG 67 HD1 ARG 67 3.026 -17.106 -3.498 999 HE ARG 67 HE ARG 67 5.269 -17.965 -4.958 1000 HH11 ARG 67 HH11 ARG 67 3.026 -19.141 -2.489 1001 HH12 ARG 67 HH12 ARG 67 3.136 -20.775 -2.954 1002 HH21 ARG 67 HH21 ARG 67 5.419 -20.168 -5.608 1003 HH22 ARG 67 HH22 ARG 67 4.510 -21.378 -4.799 1004 H ASN 68 HN ASN 68 4.489 -13.167 -5.539 1005 HA ASN 68 HA ASN 68 5.376 -13.198 -8.284 1006 HB2 ASN 68 HB2 ASN 68 3.077 -14.910 -7.294 1007 HB3 ASN 68 HB1 ASN 68 3.182 -14.388 -8.964 1008 HD21 ASN 68 HD21 ASN 68 4.609 -15.406 -10.316 1009 HD22 ASN 68 HD22 ASN 68 5.516 -16.789 -9.882 1010 HA PRO 69 HA PRO 69 2.567 -9.734 -7.205 1011 HB2 PRO 69 HB2 PRO 69 4.532 -7.808 -7.696 1012 HB3 PRO 69 HB1 PRO 69 4.037 -8.421 -6.114 1013 HG2 PRO 69 HG2 PRO 69 6.555 -8.788 -7.331 1014 HG3 PRO 69 HG1 PRO 69 5.938 -9.665 -5.925 1015 HD2 PRO 69 HD2 PRO 69 6.003 -10.511 -8.797 1016 HD3 PRO 69 HD1 PRO 69 6.186 -11.480 -7.316 1017 H LYS 70 HN LYS 70 5.075 -8.873 -9.603 1018 HA LYS 70 HA LYS 70 5.054 -7.917 -11.599 1019 HB2 LYS 70 HB2 LYS 70 2.311 -9.152 -11.859 1020 HB3 LYS 70 HB1 LYS 70 2.930 -8.063 -13.080 1021 HG2 LYS 70 HG2 LYS 70 3.246 -10.316 -13.797 1022 HG3 LYS 70 HG1 LYS 70 4.819 -9.611 -13.452 1023 HD2 LYS 70 HD2 LYS 70 4.933 -10.793 -11.362 1024 HD3 LYS 70 HD1 LYS 70 3.299 -11.410 -11.553 1025 HE2 LYS 70 HE2 LYS 70 4.022 -12.558 -13.618 1026 HE3 LYS 70 HE1 LYS 70 5.668 -12.033 -13.298 1027 HZ1 LYS 70 HZ1 LYS 70 5.585 -13.219 -11.202 1028 HZ2 LYS 70 HZ2 LYS 70 5.308 -14.232 -12.518 1029 HZ3 LYS 70 HZ3 LYS 70 3.998 -13.731 -11.567 1030 HA PRO 71 HA PRO 71 3.141 -4.170 -9.938 1031 HB2 PRO 71 HB2 PRO 71 5.309 -2.584 -10.337 1032 HB3 PRO 71 HB1 PRO 71 5.091 -3.575 -8.892 1033 HG2 PRO 71 HG2 PRO 71 6.785 -4.064 -11.289 1034 HG3 PRO 71 HG1 PRO 71 7.115 -4.424 -9.589 1035 HD2 PRO 71 HD2 PRO 71 6.294 -6.278 -11.421 1036 HD3 PRO 71 HD1 PRO 71 6.017 -6.422 -9.673 1037 H VAL 72 HN VAL 72 2.217 -2.582 -11.028 1038 HA VAL 72 HA VAL 72 2.785 -2.291 -13.887 1039 HB VAL 72 HB VAL 72 0.183 -1.771 -12.408 1040 HG11 VAL 72 HG11 VAL 72 0.774 -1.729 -15.365 1041 HG12 VAL 72 HG12 VAL 72 0.453 -0.323 -14.352 1042 HG13 VAL 72 HG13 VAL 72 -0.815 -1.517 -14.629 1043 HG21 VAL 72 HG21 VAL 72 0.912 -4.040 -14.261 1044 HG22 VAL 72 HG22 VAL 72 -0.692 -3.743 -13.587 1045 HG23 VAL 72 HG23 VAL 72 0.651 -4.162 -12.521 1046 H ARG 73 HN ARG 73 3.641 -0.377 -14.401 1047 HA ARG 73 HA ARG 73 4.149 1.714 -12.584 1048 HB2 ARG 73 HB2 ARG 73 4.161 1.655 -15.592 1049 HB3 ARG 73 HB1 ARG 73 4.748 2.984 -14.623 1050 HG2 ARG 73 HG2 ARG 73 5.865 0.200 -14.587 1051 HG3 ARG 73 HG1 ARG 73 6.518 1.549 -15.516 1052 HD2 ARG 73 HD2 ARG 73 6.833 2.785 -13.422 1053 HD3 ARG 73 HD1 ARG 73 6.317 1.376 -12.500 1054 HE ARG 73 HE ARG 73 8.418 0.903 -14.401 1055 HH11 ARG 73 HH11 ARG 73 7.662 1.448 -10.980 1056 HH12 ARG 73 HH12 ARG 73 9.301 1.350 -10.496 1057 HH21 ARG 73 HH21 ARG 73 10.627 0.676 -13.683 1058 HH22 ARG 73 HH22 ARG 73 10.983 0.886 -12.037 1059 H VAL 74 HN VAL 74 2.609 2.990 -11.799 1060 HA VAL 74 HA VAL 74 0.702 4.073 -13.698 1061 HB VAL 74 HB VAL 74 -1.115 3.976 -11.979 1062 HG11 VAL 74 HG11 VAL 74 -1.684 1.609 -12.256 1063 HG12 VAL 74 HG12 VAL 74 -0.047 1.294 -12.837 1064 HG13 VAL 74 HG13 VAL 74 -1.126 2.342 -13.758 1065 HG21 VAL 74 HG21 VAL 74 -0.915 2.382 -10.127 1066 HG22 VAL 74 HG22 VAL 74 0.216 3.731 -9.997 1067 HG23 VAL 74 HG23 VAL 74 0.791 2.149 -10.532 1068 H THR 75 HN THR 75 -0.559 5.823 -12.567 1069 HA THR 75 HA THR 75 1.023 7.428 -10.746 1070 HB THR 75 HB THR 75 0.178 9.427 -12.061 1071 HG1 THR 75 HG1 THR 75 -0.132 8.129 -14.401 1072 HG21 THR 75 HG21 THR 75 1.980 7.555 -13.620 1073 HG22 THR 75 HG22 THR 75 2.508 8.667 -12.360 1074 HG23 THR 75 HG23 THR 75 1.843 9.297 -13.868 1075 H LEU 76 HN LEU 76 -0.505 8.941 -9.634 1076 HA LEU 76 HA LEU 76 -2.955 7.659 -8.930 1077 HB2 LEU 76 HB2 LEU 76 -1.879 10.400 -8.386 1078 HB3 LEU 76 HB1 LEU 76 -3.364 9.780 -7.654 1079 HG LEU 76 HG LEU 76 -0.618 8.639 -7.350 1080 HD11 LEU 76 HD11 LEU 76 -0.815 10.826 -6.284 1081 HD12 LEU 76 HD12 LEU 76 -0.737 9.550 -5.066 1082 HD13 LEU 76 HD13 LEU 76 -2.284 10.301 -5.461 1083 HD21 LEU 76 HD21 LEU 76 -3.201 7.959 -5.940 1084 HD22 LEU 76 HD22 LEU 76 -1.598 7.350 -5.508 1085 HD23 LEU 76 HD23 LEU 76 -2.283 6.943 -7.063 1086 H ASP 77 HN ASP 77 -1.969 9.989 -11.184 1087 HA ASP 77 HA ASP 77 -4.331 11.241 -11.927 1088 HB2 ASP 77 HB2 ASP 77 -2.199 12.023 -12.722 1089 HB3 ASP 77 HB1 ASP 77 -1.886 10.494 -13.527 1090 H GLU 78 HN GLU 78 -2.898 8.191 -13.117 1091 HA GLU 78 HA GLU 78 -5.210 7.823 -14.799 1092 HB2 GLU 78 HB2 GLU 78 -4.114 5.815 -15.668 1093 HB3 GLU 78 HB1 GLU 78 -3.076 7.222 -15.764 1094 HG2 GLU 78 HG2 GLU 78 -1.786 6.465 -13.894 1095 HG3 GLU 78 HG1 GLU 78 -2.883 5.114 -13.621 1096 H LEU 79 HN LEU 79 -4.721 7.212 -11.578 1097 HA LEU 79 HA LEU 79 -6.077 4.683 -11.538 1098 HB2 LEU 79 HB2 LEU 79 -5.547 6.591 -9.262 1099 HB3 LEU 79 HB1 LEU 79 -6.172 4.969 -9.102 1100 HG LEU 79 HG LEU 79 -3.409 5.809 -9.917 1101 HD11 LEU 79 HD11 LEU 79 -4.435 4.142 -7.642 1102 HD12 LEU 79 HD12 LEU 79 -3.914 5.816 -7.539 1103 HD13 LEU 79 HD13 LEU 79 -2.748 4.551 -7.951 1104 HD21 LEU 79 HD21 LEU 79 -4.581 3.027 -9.935 1105 HD22 LEU 79 HD22 LEU 79 -2.876 3.422 -10.130 1106 HD23 LEU 79 HD23 LEU 79 -4.043 3.943 -11.345 Start of MODEL 10 1 H MET 1 H MET 1 5.104 11.121 -8.866 2 HA MET 1 HA MET 1 4.949 13.335 -8.326 3 HB2 MET 1 HB2 MET 1 3.544 13.019 -6.247 4 HB3 MET 1 HB1 MET 1 4.981 12.474 -5.408 5 HG2 MET 1 HG2 MET 1 6.002 14.668 -5.722 6 HG3 MET 1 HG1 MET 1 4.562 15.218 -6.580 7 HE1 MET 1 HE1 MET 1 5.752 16.793 -4.080 8 HE2 MET 1 HE2 MET 1 4.265 17.161 -3.201 9 HE3 MET 1 HE3 MET 1 4.306 17.287 -4.958 10 H ALA 2 HN ALA 2 6.828 12.388 -5.479 11 HA ALA 2 HA ALA 2 9.242 12.784 -7.029 12 HB1 ALA 2 HB1 ALA 2 8.806 12.115 -4.097 13 HB2 ALA 2 HB2 ALA 2 9.136 13.719 -4.752 14 HB3 ALA 2 HB3 ALA 2 10.373 12.468 -4.827 15 H TYR 3 HN TYR 3 7.627 10.371 -5.091 16 HA TYR 3 HA TYR 3 9.104 8.223 -6.352 17 HB2 TYR 3 HB2 TYR 3 6.995 8.317 -4.193 18 HB3 TYR 3 HB1 TYR 3 7.584 6.807 -4.867 19 HD1 TYR 3 HD1 TYR 3 8.704 9.885 -3.099 20 HD2 TYR 3 HD2 TYR 3 9.507 5.806 -3.961 21 HE1 TYR 3 HE1 TYR 3 10.538 9.917 -1.488 22 HE2 TYR 3 HE2 TYR 3 11.358 5.820 -2.348 23 HH TYR 3 HH TYR 3 12.868 7.433 -1.313 24 H PHE 4 HN PHE 4 8.216 6.817 -7.730 25 HA PHE 4 HA PHE 4 5.891 7.689 -9.193 26 HB2 PHE 4 HB2 PHE 4 7.482 5.128 -9.516 27 HB3 PHE 4 HB1 PHE 4 6.392 5.843 -10.697 28 HD1 PHE 4 HD2 PHE 4 7.069 8.508 -11.065 29 HD2 PHE 4 HD1 PHE 4 9.687 5.300 -10.080 30 HE1 PHE 4 HE2 PHE 4 8.959 9.764 -11.998 31 HE2 PHE 4 HE1 PHE 4 11.580 6.557 -11.004 32 HZ PHE 4 HZ PHE 4 11.220 8.790 -11.968 33 H LEU 5 HN LEU 5 4.187 5.750 -9.750 34 HA LEU 5 HA LEU 5 3.577 4.593 -7.160 35 HB2 LEU 5 HB2 LEU 5 2.083 6.413 -7.736 36 HB3 LEU 5 HB1 LEU 5 1.785 5.695 -9.303 37 HG LEU 5 HG LEU 5 0.702 3.792 -8.206 38 HD11 LEU 5 HD11 LEU 5 0.054 3.994 -5.835 39 HD12 LEU 5 HD12 LEU 5 1.038 5.450 -5.692 40 HD13 LEU 5 HD13 LEU 5 1.804 3.891 -6.018 41 HD21 LEU 5 HD21 LEU 5 -0.603 5.607 -9.063 42 HD22 LEU 5 HD22 LEU 5 -0.357 6.515 -7.578 43 HD23 LEU 5 HD23 LEU 5 -1.325 5.052 -7.552 44 H ASP 6 HN ASP 6 3.448 2.482 -7.196 45 HA ASP 6 HA ASP 6 2.873 1.162 -9.753 46 HB2 ASP 6 HB2 ASP 6 5.256 0.626 -8.019 47 HB3 ASP 6 HB1 ASP 6 4.483 -0.732 -8.819 48 H PHE 7 HN PHE 7 1.678 -0.590 -9.654 49 HA PHE 7 HA PHE 7 0.851 -1.496 -6.991 50 HB2 PHE 7 HB2 PHE 7 -0.857 -0.803 -9.330 51 HB3 PHE 7 HB1 PHE 7 -1.392 -2.076 -8.255 52 HD1 PHE 7 HD1 PHE 7 -0.608 1.506 -8.519 53 HD2 PHE 7 HD2 PHE 7 -2.262 -1.564 -6.108 54 HE1 PHE 7 HE1 PHE 7 -1.616 3.194 -7.056 55 HE2 PHE 7 HE2 PHE 7 -3.269 0.124 -4.637 56 HZ PHE 7 HZ PHE 7 -2.947 2.509 -5.112 57 H ASP 8 HN ASP 8 0.852 -3.547 -6.654 58 HA ASP 8 HA ASP 8 1.926 -5.436 -8.424 59 HB2 ASP 8 HB2 ASP 8 2.039 -5.754 -6.035 60 HB3 ASP 8 HB1 ASP 8 0.286 -5.719 -5.893 61 H GLU 9 HN GLU 9 0.942 -7.059 -9.563 62 HA GLU 9 HA GLU 9 -1.265 -6.632 -11.093 63 HB2 GLU 9 HB2 GLU 9 0.451 -8.872 -10.471 64 HB3 GLU 9 HB1 GLU 9 -1.193 -9.357 -10.863 65 HG2 GLU 9 HG2 GLU 9 0.395 -7.521 -12.626 66 HG3 GLU 9 HG1 GLU 9 0.473 -9.274 -12.777 67 H ARG 10 HN ARG 10 -1.256 -8.146 -7.857 68 HA ARG 10 HA ARG 10 -4.048 -8.832 -8.186 69 HB2 ARG 10 HB2 ARG 10 -2.299 -9.081 -5.736 70 HB3 ARG 10 HB1 ARG 10 -3.954 -9.642 -5.858 71 HG2 ARG 10 HG2 ARG 10 -1.536 -10.702 -7.286 72 HG3 ARG 10 HG1 ARG 10 -2.556 -11.529 -6.107 73 HD2 ARG 10 HD2 ARG 10 -3.267 -10.721 -8.921 74 HD3 ARG 10 HD1 ARG 10 -3.085 -12.354 -8.303 75 HE ARG 10 HE ARG 10 -5.072 -11.321 -6.773 76 HH11 ARG 10 HH11 ARG 10 -4.585 -11.665 -10.275 77 HH12 ARG 10 HH12 ARG 10 -6.243 -11.669 -10.644 78 HH21 ARG 10 HH21 ARG 10 -7.311 -11.310 -7.277 79 HH22 ARG 10 HH22 ARG 10 -7.861 -11.487 -8.887 80 H ALA 11 HN ALA 11 -2.094 -6.461 -6.561 81 HA ALA 11 HA ALA 11 -4.016 -5.304 -4.885 82 HB1 ALA 11 HB1 ALA 11 -2.579 -3.329 -4.838 83 HB2 ALA 11 HB2 ALA 11 -1.708 -3.916 -6.257 84 HB3 ALA 11 HB3 ALA 11 -1.616 -4.804 -4.734 85 H LEU 12 HN LEU 12 -3.385 -4.890 -8.248 86 HA LEU 12 HA LEU 12 -4.981 -2.679 -8.978 87 HB2 LEU 12 HB2 LEU 12 -4.609 -5.300 -10.415 88 HB3 LEU 12 HB1 LEU 12 -5.194 -3.817 -11.155 89 HG LEU 12 HG LEU 12 -2.403 -4.298 -10.072 90 HD11 LEU 12 HD11 LEU 12 -1.730 -4.415 -12.396 91 HD12 LEU 12 HD12 LEU 12 -3.398 -4.179 -12.910 92 HD13 LEU 12 HD13 LEU 12 -2.944 -5.655 -12.056 93 HD21 LEU 12 HD21 LEU 12 -3.046 -1.944 -10.020 94 HD22 LEU 12 HD22 LEU 12 -3.526 -2.034 -11.714 95 HD23 LEU 12 HD23 LEU 12 -1.834 -2.244 -11.262 96 H LYS 13 HN LYS 13 -5.899 -6.027 -8.539 97 HA LYS 13 HA LYS 13 -8.607 -5.563 -9.417 98 HB2 LYS 13 HB2 LYS 13 -7.675 -8.011 -7.936 99 HB3 LYS 13 HB1 LYS 13 -8.892 -7.888 -9.195 100 HG2 LYS 13 HG2 LYS 13 -5.908 -7.641 -9.579 101 HG3 LYS 13 HG1 LYS 13 -6.900 -9.027 -10.001 102 HD2 LYS 13 HD2 LYS 13 -8.009 -7.792 -11.731 103 HD3 LYS 13 HD1 LYS 13 -7.280 -6.276 -11.185 104 HE2 LYS 13 HE2 LYS 13 -5.092 -7.072 -11.759 105 HE3 LYS 13 HE1 LYS 13 -5.736 -8.648 -12.237 106 HZ1 LYS 13 HZ1 LYS 13 -5.302 -7.264 -14.144 107 HZ2 LYS 13 HZ2 LYS 13 -6.253 -6.032 -13.558 108 HZ3 LYS 13 HZ3 LYS 13 -6.958 -7.492 -14.025 109 H GLU 14 HN GLU 14 -6.818 -5.416 -6.575 110 HA GLU 14 HA GLU 14 -8.867 -5.981 -4.730 111 HB2 GLU 14 HB2 GLU 14 -6.164 -4.813 -4.508 112 HB3 GLU 14 HB1 GLU 14 -7.184 -5.087 -3.080 113 HG2 GLU 14 HG2 GLU 14 -7.328 -7.503 -3.836 114 HG3 GLU 14 HG1 GLU 14 -6.104 -7.118 -5.036 115 H TRP 15 HN TRP 15 -7.419 -2.901 -5.850 116 HA TRP 15 HA TRP 15 -9.210 -1.472 -4.131 117 HB2 TRP 15 HB2 TRP 15 -8.466 0.599 -5.019 118 HB3 TRP 15 HB1 TRP 15 -7.059 -0.435 -5.155 119 HD1 TRP 15 HD1 TRP 15 -9.933 0.894 -7.494 120 HE1 TRP 15 HE1 TRP 15 -8.945 1.298 -9.802 121 HE3 TRP 15 HE3 TRP 15 -5.177 -0.789 -6.666 122 HZ2 TRP 15 HZ2 TRP 15 -6.515 0.969 -11.127 123 HZ3 TRP 15 HZ3 TRP 15 -3.588 -0.684 -8.519 124 HH2 TRP 15 HH2 TRP 15 -4.238 0.175 -10.707 125 H ARG 16 HN ARG 16 -9.496 -2.873 -7.179 126 HA ARG 16 HA ARG 16 -11.763 -1.292 -7.947 127 HB2 ARG 16 HB2 ARG 16 -10.853 -3.847 -9.253 128 HB3 ARG 16 HB1 ARG 16 -11.881 -2.604 -9.957 129 HG2 ARG 16 HG2 ARG 16 -9.946 -1.014 -9.666 130 HG3 ARG 16 HG1 ARG 16 -8.968 -2.416 -9.272 131 HD2 ARG 16 HD2 ARG 16 -10.256 -1.670 -11.848 132 HD3 ARG 16 HD1 ARG 16 -8.577 -1.976 -11.497 133 HE ARG 16 HE ARG 16 -9.988 -4.345 -10.996 134 HH11 ARG 16 HH11 ARG 16 -8.857 -2.431 -13.776 135 HH12 ARG 16 HH12 ARG 16 -8.920 -3.724 -14.866 136 HH21 ARG 16 HH21 ARG 16 -10.072 -6.106 -12.506 137 HH22 ARG 16 HH22 ARG 16 -9.617 -5.865 -14.135 138 H LYS 17 HN LYS 17 -11.433 -4.030 -5.905 139 HA LYS 17 HA LYS 17 -14.209 -4.705 -6.361 140 HB2 LYS 17 HB2 LYS 17 -13.853 -6.548 -4.728 141 HB3 LYS 17 HB1 LYS 17 -12.809 -6.624 -6.122 142 HG2 LYS 17 HG2 LYS 17 -11.420 -7.227 -4.315 143 HG3 LYS 17 HG1 LYS 17 -11.027 -5.569 -4.692 144 HD2 LYS 17 HD2 LYS 17 -11.136 -5.915 -2.259 145 HD3 LYS 17 HD1 LYS 17 -12.329 -4.749 -2.816 146 HE2 LYS 17 HE2 LYS 17 -13.309 -6.199 -1.153 147 HE3 LYS 17 HE1 LYS 17 -14.064 -6.511 -2.706 148 HZ1 LYS 17 HZ1 LYS 17 -13.579 -8.545 -1.523 149 HZ2 LYS 17 HZ2 LYS 17 -11.951 -8.175 -1.433 150 HZ3 LYS 17 HZ3 LYS 17 -12.651 -8.498 -2.923 151 H LEU 18 HN LEU 18 -12.643 -2.444 -4.646 152 HA LEU 18 HA LEU 18 -14.673 -2.534 -2.566 153 HB2 LEU 18 HB2 LEU 18 -13.127 -1.140 -1.161 154 HB3 LEU 18 HB1 LEU 18 -12.614 -2.781 -1.468 155 HG LEU 18 HG LEU 18 -11.143 -1.771 -3.311 156 HD11 LEU 18 HD11 LEU 18 -11.641 0.723 -1.720 157 HD12 LEU 18 HD12 LEU 18 -12.100 0.437 -3.402 158 HD13 LEU 18 HD13 LEU 18 -10.395 0.505 -2.946 159 HD21 LEU 18 HD21 LEU 18 -9.378 -1.242 -1.713 160 HD22 LEU 18 HD22 LEU 18 -10.223 -2.742 -1.346 161 HD23 LEU 18 HD23 LEU 18 -10.562 -1.286 -0.401 162 H GLY 19 HN GLY 19 -15.105 -0.317 -1.585 163 HA2 GLY 19 HA2 GLY 19 -16.563 1.028 -3.579 164 HA3 GLY 19 HA1 GLY 19 -16.451 1.486 -1.891 165 H SER 20 HN SER 20 -16.666 3.309 -3.926 166 HA SER 20 HA SER 20 -14.267 4.274 -4.963 167 HB2 SER 20 HB2 SER 20 -15.738 6.327 -5.379 168 HB3 SER 20 HB1 SER 20 -16.215 4.799 -6.119 169 HG SER 20 HG SER 20 -17.426 6.246 -4.097 170 H THR 21 HN THR 21 -16.114 5.230 -2.045 171 HA THR 21 HA THR 21 -14.597 7.512 -1.419 172 HB THR 21 HB THR 21 -16.009 5.640 0.492 173 HG1 THR 21 HG1 THR 21 -17.843 6.454 -0.174 174 HG21 THR 21 HG21 THR 21 -16.361 7.668 1.847 175 HG22 THR 21 HG22 THR 21 -15.468 8.619 0.660 176 HG23 THR 21 HG23 THR 21 -14.642 7.369 1.593 177 H VAL 22 HN VAL 22 -14.262 4.137 -0.725 178 HA VAL 22 HA VAL 22 -12.208 4.257 1.199 179 HB VAL 22 HB VAL 22 -12.908 2.044 -0.738 180 HG11 VAL 22 HG11 VAL 22 -10.654 1.760 0.154 181 HG12 VAL 22 HG12 VAL 22 -11.752 0.548 0.819 182 HG13 VAL 22 HG13 VAL 22 -11.274 1.932 1.795 183 HG21 VAL 22 HG21 VAL 22 -13.743 2.500 2.121 184 HG22 VAL 22 HG22 VAL 22 -14.121 1.074 1.155 185 HG23 VAL 22 HG23 VAL 22 -14.767 2.649 0.693 186 H ARG 23 HN ARG 23 -12.103 3.644 -2.313 187 HA ARG 23 HA ARG 23 -9.287 3.527 -2.309 188 HB2 ARG 23 HB2 ARG 23 -9.417 3.500 -4.767 189 HB3 ARG 23 HB1 ARG 23 -10.470 2.314 -4.007 190 HG2 ARG 23 HG2 ARG 23 -12.333 3.943 -4.339 191 HG3 ARG 23 HG1 ARG 23 -11.218 4.898 -5.323 192 HD2 ARG 23 HD2 ARG 23 -10.850 2.936 -6.762 193 HD3 ARG 23 HD1 ARG 23 -12.019 2.034 -5.802 194 HE ARG 23 HE ARG 23 -12.661 4.447 -7.333 195 HH11 ARG 23 HH11 ARG 23 -13.622 1.214 -6.097 196 HH12 ARG 23 HH12 ARG 23 -15.008 1.137 -7.065 197 HH21 ARG 23 HH21 ARG 23 -14.597 4.247 -8.682 198 HH22 ARG 23 HH22 ARG 23 -15.584 2.863 -8.539 199 H GLU 24 HN GLU 24 -11.468 6.169 -2.600 200 HA GLU 24 HA GLU 24 -9.528 7.950 -3.613 201 HB2 GLU 24 HB2 GLU 24 -12.131 8.421 -2.200 202 HB3 GLU 24 HB1 GLU 24 -11.055 9.748 -2.621 203 HG2 GLU 24 HG2 GLU 24 -12.290 7.776 -4.505 204 HG3 GLU 24 HG1 GLU 24 -12.730 9.479 -4.332 205 H GLN 25 HN GLN 25 -10.512 7.080 -0.360 206 HA GLN 25 HA GLN 25 -8.842 8.897 0.986 207 HB2 GLN 25 HB2 GLN 25 -9.782 6.146 1.811 208 HB3 GLN 25 HB1 GLN 25 -8.962 7.266 2.885 209 HG2 GLN 25 HG2 GLN 25 -10.802 8.859 2.645 210 HG3 GLN 25 HG1 GLN 25 -11.570 7.750 1.504 211 HE21 GLN 25 HE21 GLN 25 -12.653 6.051 2.220 212 HE22 GLN 25 HE22 GLN 25 -12.972 5.702 3.889 213 H LEU 26 HN LEU 26 -8.293 5.673 -0.261 214 HA LEU 26 HA LEU 26 -5.665 5.260 0.597 215 HB2 LEU 26 HB2 LEU 26 -6.963 4.365 -1.976 216 HB3 LEU 26 HB1 LEU 26 -5.459 3.736 -1.345 217 HG LEU 26 HG LEU 26 -8.152 3.442 -0.006 218 HD11 LEU 26 HD11 LEU 26 -8.015 1.123 -0.693 219 HD12 LEU 26 HD12 LEU 26 -6.469 1.432 -1.475 220 HD13 LEU 26 HD13 LEU 26 -7.930 2.155 -2.122 221 HD21 LEU 26 HD21 LEU 26 -6.283 3.466 1.575 222 HD22 LEU 26 HD22 LEU 26 -5.469 2.230 0.625 223 HD23 LEU 26 HD23 LEU 26 -6.988 1.855 1.439 224 H LYS 27 HN LYS 27 -6.873 6.692 -2.393 225 HA LYS 27 HA LYS 27 -4.408 7.278 -3.584 226 HB2 LYS 27 HB2 LYS 27 -7.139 8.477 -3.940 227 HB3 LYS 27 HB1 LYS 27 -5.748 8.968 -4.895 228 HG2 LYS 27 HG2 LYS 27 -5.548 6.837 -5.892 229 HG3 LYS 27 HG1 LYS 27 -6.646 6.110 -4.723 230 HD2 LYS 27 HD2 LYS 27 -7.682 6.467 -6.938 231 HD3 LYS 27 HD1 LYS 27 -8.512 7.329 -5.646 232 HE2 LYS 27 HE2 LYS 27 -7.345 9.394 -6.317 233 HE3 LYS 27 HE1 LYS 27 -6.560 8.513 -7.632 234 HZ1 LYS 27 HZ1 LYS 27 -8.565 9.741 -8.347 235 HZ2 LYS 27 HZ2 LYS 27 -9.499 8.777 -7.311 236 HZ3 LYS 27 HZ3 LYS 27 -8.659 8.075 -8.597 237 H LYS 28 HN LYS 28 -6.320 9.101 -1.298 238 HA LYS 28 HA LYS 28 -4.826 11.496 -1.529 239 HB2 LYS 28 HB2 LYS 28 -6.841 10.444 0.367 240 HB3 LYS 28 HB1 LYS 28 -5.761 11.660 1.010 241 HG2 LYS 28 HG2 LYS 28 -7.791 12.727 0.289 242 HG3 LYS 28 HG1 LYS 28 -6.494 13.215 -0.780 243 HD2 LYS 28 HD2 LYS 28 -8.490 11.049 -1.489 244 HD3 LYS 28 HD1 LYS 28 -8.780 12.749 -1.826 245 HE2 LYS 28 HE2 LYS 28 -6.613 12.722 -3.138 246 HE3 LYS 28 HE1 LYS 28 -6.618 10.974 -2.941 247 HZ1 LYS 28 HZ1 LYS 28 -8.722 12.569 -4.297 248 HZ2 LYS 28 HZ2 LYS 28 -8.789 10.907 -4.184 249 HZ3 LYS 28 HZ3 LYS 28 -7.556 11.663 -5.058 250 H LYS 29 HN LYS 29 -4.530 8.675 0.559 251 HA LYS 29 HA LYS 29 -2.309 9.806 1.926 252 HB2 LYS 29 HB2 LYS 29 -3.646 7.151 2.017 253 HB3 LYS 29 HB1 LYS 29 -1.982 7.254 2.585 254 HG2 LYS 29 HG2 LYS 29 -3.637 7.537 4.393 255 HG3 LYS 29 HG1 LYS 29 -2.564 8.919 4.203 256 HD2 LYS 29 HD2 LYS 29 -4.368 9.986 2.805 257 HD3 LYS 29 HD1 LYS 29 -5.424 8.669 3.305 258 HE2 LYS 29 HE2 LYS 29 -5.723 10.643 4.629 259 HE3 LYS 29 HE1 LYS 29 -5.145 9.278 5.605 260 HZ1 LYS 29 HZ1 LYS 29 -2.952 10.231 5.622 261 HZ2 LYS 29 HZ2 LYS 29 -4.005 11.450 6.120 262 HZ3 LYS 29 HZ3 LYS 29 -3.378 11.444 4.551 263 H LEU 30 HN LEU 30 -2.728 8.072 -0.857 264 HA LEU 30 HA LEU 30 -0.013 7.316 -1.169 265 HB2 LEU 30 HB2 LEU 30 -2.178 7.546 -3.246 266 HB3 LEU 30 HB1 LEU 30 -0.567 6.953 -3.589 267 HG LEU 30 HG LEU 30 -2.543 5.664 -1.699 268 HD11 LEU 30 HD11 LEU 30 -1.620 4.823 -4.442 269 HD12 LEU 30 HD12 LEU 30 -3.218 5.439 -4.022 270 HD13 LEU 30 HD13 LEU 30 -2.670 3.894 -3.374 271 HD21 LEU 30 HD21 LEU 30 -0.937 3.791 -1.665 272 HD22 LEU 30 HD22 LEU 30 -0.259 5.257 -0.972 273 HD23 LEU 30 HD23 LEU 30 0.198 4.760 -2.603 274 H VAL 31 HN VAL 31 -1.848 10.159 -2.178 275 HA VAL 31 HA VAL 31 0.303 11.169 -3.722 276 HB VAL 31 HB VAL 31 -2.102 11.903 -4.017 277 HG11 VAL 31 HG11 VAL 31 -1.567 13.654 -1.651 278 HG12 VAL 31 HG12 VAL 31 -2.714 12.321 -1.739 279 HG13 VAL 31 HG13 VAL 31 -2.964 13.767 -2.725 280 HG21 VAL 31 HG21 VAL 31 -1.569 14.218 -4.654 281 HG22 VAL 31 HG22 VAL 31 -0.328 13.077 -5.175 282 HG23 VAL 31 HG23 VAL 31 -0.051 14.098 -3.765 283 H GLU 32 HN GLU 32 -0.227 11.115 -0.317 284 HA GLU 32 HA GLU 32 1.684 13.275 0.041 285 HB2 GLU 32 HB2 GLU 32 1.196 12.970 2.507 286 HB3 GLU 32 HB1 GLU 32 -0.200 13.436 1.552 287 HG2 GLU 32 HG2 GLU 32 -0.920 11.105 1.513 288 HG3 GLU 32 HG1 GLU 32 0.449 10.665 2.525 289 H VAL 33 HN VAL 33 1.362 9.863 0.111 290 HA VAL 33 HA VAL 33 3.696 9.326 1.607 291 HB VAL 33 HB VAL 33 1.586 7.839 1.109 292 HG11 VAL 33 HG11 VAL 33 1.861 6.124 -0.540 293 HG12 VAL 33 HG12 VAL 33 3.397 6.825 -1.030 294 HG13 VAL 33 HG13 VAL 33 1.910 7.716 -1.325 295 HG21 VAL 33 HG21 VAL 33 4.314 6.704 1.252 296 HG22 VAL 33 HG22 VAL 33 2.790 5.887 1.685 297 HG23 VAL 33 HG23 VAL 33 3.328 7.324 2.593 298 H LEU 34 HN LEU 34 2.994 9.905 -1.722 299 HA LEU 34 HA LEU 34 5.400 8.860 -2.812 300 HB2 LEU 34 HB2 LEU 34 3.570 10.983 -3.937 301 HB3 LEU 34 HB1 LEU 34 4.869 10.217 -4.821 302 HG LEU 34 HG LEU 34 2.451 8.779 -3.735 303 HD11 LEU 34 HD11 LEU 34 1.724 8.681 -6.079 304 HD12 LEU 34 HD12 LEU 34 3.129 9.637 -6.550 305 HD13 LEU 34 HD13 LEU 34 1.870 10.356 -5.538 306 HD21 LEU 34 HD21 LEU 34 3.188 6.951 -5.180 307 HD22 LEU 34 HD22 LEU 34 4.394 7.346 -3.956 308 HD23 LEU 34 HD23 LEU 34 4.620 7.880 -5.623 309 H GLU 35 HN GLU 35 4.962 11.425 -0.831 310 HA GLU 35 HA GLU 35 7.427 12.680 -1.764 311 HB2 GLU 35 HB2 GLU 35 5.238 14.056 -1.531 312 HB3 GLU 35 HB1 GLU 35 5.455 13.875 0.196 313 HG2 GLU 35 HG2 GLU 35 7.502 15.170 -1.604 314 HG3 GLU 35 HG1 GLU 35 6.212 16.060 -0.817 315 H SER 36 HN SER 36 5.714 11.276 0.998 316 HA SER 36 HA SER 36 8.301 10.843 2.282 317 HB2 SER 36 HB2 SER 36 5.921 11.965 3.759 318 HB3 SER 36 HB1 SER 36 7.494 11.572 4.453 319 HG SER 36 HG SER 36 7.994 13.144 2.447 320 HA PRO 37 HA PRO 37 5.735 7.095 2.680 321 HB2 PRO 37 HB2 PRO 37 7.281 5.380 1.415 322 HB3 PRO 37 HB1 PRO 37 6.353 6.584 0.514 323 HG2 PRO 37 HG2 PRO 37 9.262 6.549 1.177 324 HG3 PRO 37 HG1 PRO 37 8.462 7.098 -0.303 325 HD2 PRO 37 HD2 PRO 37 9.330 8.746 1.794 326 HD3 PRO 37 HD1 PRO 37 8.198 9.198 0.519 327 H ARG 38 HN ARG 38 8.622 8.031 4.150 328 HA ARG 38 HA ARG 38 8.972 5.391 5.331 329 HB2 ARG 38 HB2 ARG 38 10.756 7.821 5.602 330 HB3 ARG 38 HB1 ARG 38 11.041 6.277 6.390 331 HG2 ARG 38 HG2 ARG 38 11.087 5.218 4.127 332 HG3 ARG 38 HG1 ARG 38 11.028 6.838 3.440 333 HD2 ARG 38 HD2 ARG 38 13.172 5.809 5.303 334 HD3 ARG 38 HD1 ARG 38 13.295 5.903 3.552 335 HE ARG 38 HE ARG 38 12.723 8.424 4.834 336 HH11 ARG 38 HH11 ARG 38 15.270 6.206 3.782 337 HH12 ARG 38 HH12 ARG 38 16.483 7.379 3.676 338 HH21 ARG 38 HH21 ARG 38 14.399 10.095 4.670 339 HH22 ARG 38 HH22 ARG 38 15.971 9.636 4.188 340 H ILE 39 HN ILE 39 7.223 5.209 6.596 341 HA ILE 39 HA ILE 39 7.076 7.097 8.825 342 HB ILE 39 HB ILE 39 4.819 5.335 7.780 343 HG12 ILE 39 HG12 ILE 39 5.219 8.318 7.388 344 HG13 ILE 39 HG11 ILE 39 5.478 7.108 6.144 345 HG21 ILE 39 HG21 ILE 39 4.639 5.907 10.152 346 HG22 ILE 39 HG22 ILE 39 3.395 6.733 9.210 347 HG23 ILE 39 HG23 ILE 39 4.815 7.619 9.762 348 HD11 ILE 39 HD11 ILE 39 3.104 6.510 6.242 349 HD12 ILE 39 HD12 ILE 39 3.334 8.220 5.873 350 HD13 ILE 39 HD13 ILE 39 2.856 7.725 7.496 351 H GLU 40 HN GLU 40 8.433 6.072 10.197 352 HA GLU 40 HA GLU 40 8.700 3.282 10.506 353 HB2 GLU 40 HB2 GLU 40 9.990 3.849 12.563 354 HB3 GLU 40 HB1 GLU 40 10.529 4.696 11.120 355 HG2 GLU 40 HG2 GLU 40 9.483 6.713 11.820 356 HG3 GLU 40 HG1 GLU 40 8.676 5.896 13.156 357 H ALA 41 HN ALA 41 6.472 5.472 11.799 358 HA ALA 41 HA ALA 41 5.736 4.038 14.139 359 HB1 ALA 41 HB1 ALA 41 4.099 6.008 12.538 360 HB2 ALA 41 HB2 ALA 41 5.224 6.422 13.828 361 HB3 ALA 41 HB3 ALA 41 3.772 5.489 14.192 362 H ASN 42 HN ASN 42 5.036 3.608 10.785 363 HA ASN 42 HA ASN 42 2.946 1.650 11.459 364 HB2 ASN 42 HB2 ASN 42 3.036 3.539 9.098 365 HB3 ASN 42 HB1 ASN 42 1.953 2.161 9.180 366 HD21 ASN 42 HD21 ASN 42 2.634 5.325 10.347 367 HD22 ASN 42 HD22 ASN 42 1.150 5.579 11.180 368 H LYS 43 HN LYS 43 5.847 1.365 11.068 369 HA LYS 43 HA LYS 43 6.144 -0.074 8.608 370 HB2 LYS 43 HB2 LYS 43 8.365 -0.705 9.457 371 HB3 LYS 43 HB1 LYS 43 8.060 1.009 9.695 372 HG2 LYS 43 HG2 LYS 43 7.516 0.571 12.051 373 HG3 LYS 43 HG1 LYS 43 7.930 -1.127 11.804 374 HD2 LYS 43 HD2 LYS 43 10.208 -0.454 11.137 375 HD3 LYS 43 HD1 LYS 43 9.783 1.231 11.428 376 HE2 LYS 43 HE2 LYS 43 11.000 0.365 13.329 377 HE3 LYS 43 HE1 LYS 43 9.333 0.679 13.793 378 HZ1 LYS 43 HZ1 LYS 43 10.132 -1.443 14.648 379 HZ2 LYS 43 HZ2 LYS 43 10.434 -1.978 13.076 380 HZ3 LYS 43 HZ3 LYS 43 8.860 -1.680 13.578 381 H LEU 44 HN LEU 44 6.369 -2.401 8.372 382 HA LEU 44 HA LEU 44 4.380 -3.752 9.877 383 HB2 LEU 44 HB2 LEU 44 6.254 -4.722 7.771 384 HB3 LEU 44 HB1 LEU 44 4.947 -5.666 8.450 385 HG LEU 44 HG LEU 44 4.754 -3.219 6.711 386 HD11 LEU 44 HD11 LEU 44 5.192 -5.328 5.566 387 HD12 LEU 44 HD12 LEU 44 3.574 -4.726 5.208 388 HD13 LEU 44 HD13 LEU 44 3.790 -6.047 6.355 389 HD21 LEU 44 HD21 LEU 44 2.316 -3.487 6.893 390 HD22 LEU 44 HD22 LEU 44 3.058 -3.022 8.417 391 HD23 LEU 44 HD23 LEU 44 2.555 -4.696 8.158 392 H ARG 45 HN ARG 45 4.610 -5.787 10.783 393 HA ARG 45 HA ARG 45 6.710 -5.937 12.739 394 HB2 ARG 45 HB2 ARG 45 4.359 -6.332 13.311 395 HB3 ARG 45 HB1 ARG 45 4.292 -7.658 12.180 396 HG2 ARG 45 HG2 ARG 45 5.876 -8.915 13.587 397 HG3 ARG 45 HG1 ARG 45 5.867 -7.574 14.745 398 HD2 ARG 45 HD2 ARG 45 3.493 -7.829 15.094 399 HD3 ARG 45 HD1 ARG 45 3.405 -9.057 13.841 400 HE ARG 45 HE ARG 45 5.190 -9.695 15.987 401 HH11 ARG 45 HH11 ARG 45 1.865 -9.894 14.837 402 HH12 ARG 45 HH12 ARG 45 1.398 -11.216 15.798 403 HH21 ARG 45 HH21 ARG 45 4.591 -11.542 17.351 404 HH22 ARG 45 HH22 ARG 45 3.030 -12.182 17.248 405 H GLY 46 HN GLY 46 8.469 -6.333 11.297 406 HA2 GLY 46 HA2 GLY 46 9.899 -8.396 11.129 407 HA3 GLY 46 HA1 GLY 46 8.566 -9.070 10.194 408 H MET 47 HN MET 47 8.041 -6.442 8.997 409 HA MET 47 HA MET 47 10.250 -6.382 7.032 410 HB2 MET 47 HB2 MET 47 7.285 -5.906 6.588 411 HB3 MET 47 HB1 MET 47 8.526 -5.588 5.395 412 HG2 MET 47 HG2 MET 47 7.955 -8.295 6.555 413 HG3 MET 47 HG1 MET 47 7.214 -7.678 5.082 414 HE1 MET 47 HE1 MET 47 8.602 -10.397 5.042 415 HE2 MET 47 HE2 MET 47 9.667 -10.307 3.638 416 HE3 MET 47 HE3 MET 47 8.038 -9.641 3.553 417 HA PRO 48 HA PRO 48 9.995 -2.207 8.963 418 HB2 PRO 48 HB2 PRO 48 12.818 -1.977 8.296 419 HB3 PRO 48 HB1 PRO 48 12.055 -1.954 9.886 420 HG2 PRO 48 HG2 PRO 48 13.612 -4.012 9.056 421 HG3 PRO 48 HG1 PRO 48 12.240 -4.237 10.155 422 HD2 PRO 48 HD2 PRO 48 12.397 -4.728 7.201 423 HD3 PRO 48 HD1 PRO 48 11.651 -5.719 8.479 424 H ASP 49 HN ASP 49 11.021 -3.292 5.906 425 HA ASP 49 HA ASP 49 11.349 -0.616 4.765 426 HB2 ASP 49 HB2 ASP 49 11.474 -3.292 3.349 427 HB3 ASP 49 HB1 ASP 49 12.014 -1.744 2.730 428 H CYS 50 HN CYS 50 8.875 -2.598 5.505 429 HA CYS 50 HA CYS 50 7.220 -1.649 3.297 430 HB2 CYS 50 HB2 CYS 50 6.884 -4.152 4.964 431 HB3 CYS 50 HB1 CYS 50 5.809 -3.629 3.671 432 HG CYS 50 HG CYS 50 8.935 -4.969 3.429 433 H TYR 51 HN TYR 51 5.314 -0.667 3.902 434 HA TYR 51 HA TYR 51 4.941 -0.259 6.768 435 HB2 TYR 51 HB2 TYR 51 4.772 1.929 4.675 436 HB3 TYR 51 HB1 TYR 51 4.579 2.113 6.411 437 HD1 TYR 51 HD1 TYR 51 6.548 2.080 7.884 438 HD2 TYR 51 HD2 TYR 51 6.956 1.710 3.685 439 HE1 TYR 51 HE1 TYR 51 8.958 2.542 8.082 440 HE2 TYR 51 HE2 TYR 51 9.366 2.170 3.865 441 HH TYR 51 HH TYR 51 10.980 2.126 6.829 442 H LYS 52 HN LYS 52 2.753 0.783 7.109 443 HA LYS 52 HA LYS 52 0.794 -0.328 5.230 444 HB2 LYS 52 HB2 LYS 52 -0.526 -1.038 7.158 445 HB3 LYS 52 HB1 LYS 52 1.066 -1.790 7.194 446 HG2 LYS 52 HG2 LYS 52 1.785 0.019 8.774 447 HG3 LYS 52 HG1 LYS 52 0.102 0.531 8.834 448 HD2 LYS 52 HD2 LYS 52 1.156 -2.180 9.632 449 HD3 LYS 52 HD1 LYS 52 0.739 -0.882 10.746 450 HE2 LYS 52 HE2 LYS 52 -1.585 -1.001 10.006 451 HE3 LYS 52 HE1 LYS 52 -1.160 -2.276 8.862 452 HZ1 LYS 52 HZ1 LYS 52 -0.940 -2.468 11.826 453 HZ2 LYS 52 HZ2 LYS 52 -0.366 -3.579 10.743 454 HZ3 LYS 52 HZ3 LYS 52 -2.039 -3.309 10.830 455 H ILE 53 HN ILE 53 -1.209 0.753 5.273 456 HA ILE 53 HA ILE 53 -1.405 3.276 6.741 457 HB ILE 53 HB ILE 53 -2.461 2.877 3.909 458 HG12 ILE 53 HG12 ILE 53 0.084 4.322 4.744 459 HG13 ILE 53 HG11 ILE 53 -0.035 2.834 3.821 460 HG21 ILE 53 HG21 ILE 53 -2.781 5.324 3.978 461 HG22 ILE 53 HG22 ILE 53 -2.114 5.337 5.618 462 HG23 ILE 53 HG23 ILE 53 -3.626 4.507 5.301 463 HD11 ILE 53 HD11 ILE 53 -1.019 5.522 2.904 464 HD12 ILE 53 HD12 ILE 53 -1.108 4.020 1.987 465 HD13 ILE 53 HD13 ILE 53 0.463 4.727 2.372 466 H LYS 54 HN LYS 54 -3.676 3.693 7.279 467 HA LYS 54 HA LYS 54 -5.532 1.626 6.580 468 HB2 LYS 54 HB2 LYS 54 -6.086 1.115 8.929 469 HB3 LYS 54 HB1 LYS 54 -4.453 0.641 8.503 470 HG2 LYS 54 HG2 LYS 54 -3.889 3.029 9.496 471 HG3 LYS 54 HG1 LYS 54 -5.395 2.746 10.370 472 HD2 LYS 54 HD2 LYS 54 -3.015 0.929 10.279 473 HD3 LYS 54 HD1 LYS 54 -3.434 1.983 11.623 474 HE2 LYS 54 HE2 LYS 54 -5.135 -0.314 10.597 475 HE3 LYS 54 HE1 LYS 54 -4.087 -0.403 12.005 476 HZ1 LYS 54 HZ1 LYS 54 -5.456 1.368 13.014 477 HZ2 LYS 54 HZ2 LYS 54 -6.292 -0.054 12.697 478 HZ3 LYS 54 HZ3 LYS 54 -6.515 1.283 11.690 479 H LEU 55 HN LEU 55 -7.488 2.297 6.491 480 HA LEU 55 HA LEU 55 -8.038 5.103 6.722 481 HB2 LEU 55 HB2 LEU 55 -9.608 2.721 5.801 482 HB3 LEU 55 HB1 LEU 55 -10.426 4.235 6.122 483 HG LEU 55 HG LEU 55 -9.192 5.346 4.365 484 HD11 LEU 55 HD11 LEU 55 -7.765 2.738 3.889 485 HD12 LEU 55 HD12 LEU 55 -7.051 4.200 4.575 486 HD13 LEU 55 HD13 LEU 55 -7.657 4.210 2.916 487 HD21 LEU 55 HD21 LEU 55 -10.282 2.696 3.489 488 HD22 LEU 55 HD22 LEU 55 -9.968 4.066 2.429 489 HD23 LEU 55 HD23 LEU 55 -11.185 4.197 3.699 490 H ARG 56 HN ARG 56 -8.993 6.100 8.278 491 HA ARG 56 HA ARG 56 -9.001 4.885 10.818 492 HB2 ARG 56 HB2 ARG 56 -10.113 7.567 10.009 493 HB3 ARG 56 HB1 ARG 56 -9.689 7.067 11.631 494 HG2 ARG 56 HG2 ARG 56 -7.767 7.430 9.335 495 HG3 ARG 56 HG1 ARG 56 -7.990 8.543 10.677 496 HD2 ARG 56 HD2 ARG 56 -7.185 6.817 12.229 497 HD3 ARG 56 HD1 ARG 56 -6.963 5.703 10.874 498 HE ARG 56 HE ARG 56 -5.604 8.144 10.441 499 HH11 ARG 56 HH11 ARG 56 -5.227 5.106 12.265 500 HH12 ARG 56 HH12 ARG 56 -3.524 5.232 12.313 501 HH21 ARG 56 HH21 ARG 56 -3.290 8.256 10.545 502 HH22 ARG 56 HH22 ARG 56 -2.414 7.021 11.342 503 H SER 57 HN SER 57 -11.644 6.190 8.827 504 HA SER 57 HA SER 57 -13.618 5.197 10.677 505 HB2 SER 57 HB2 SER 57 -13.999 6.431 7.954 506 HB3 SER 57 HB1 SER 57 -15.206 6.276 9.230 507 HG SER 57 HG SER 57 -14.189 8.344 9.009 508 H SER 58 HN SER 58 -12.490 4.398 7.409 509 HA SER 58 HA SER 58 -14.574 2.557 6.893 510 HB2 SER 58 HB2 SER 58 -11.967 2.850 5.427 511 HB3 SER 58 HB1 SER 58 -13.490 2.217 4.802 512 HG SER 58 HG SER 58 -14.387 4.209 4.917 513 H GLY 59 HN GLY 59 -11.300 2.165 8.209 514 HA2 GLY 59 HA2 GLY 59 -10.429 0.332 9.297 515 HA3 GLY 59 HA1 GLY 59 -11.940 -0.513 9.007 516 H TYR 60 HN TYR 60 -10.135 0.858 6.387 517 HA TYR 60 HA TYR 60 -9.507 -1.840 5.396 518 HB2 TYR 60 HB2 TYR 60 -9.733 0.823 3.998 519 HB3 TYR 60 HB1 TYR 60 -8.986 -0.565 3.232 520 HD1 TYR 60 HD1 TYR 60 -12.181 0.485 4.852 521 HD2 TYR 60 HD2 TYR 60 -10.292 -2.008 1.989 522 HE1 TYR 60 HE1 TYR 60 -14.385 -0.238 4.037 523 HE2 TYR 60 HE2 TYR 60 -12.486 -2.744 1.163 524 HH TYR 60 HH TYR 60 -15.348 -1.153 1.982 525 H ARG 61 HN ARG 61 -7.373 -2.063 4.248 526 HA ARG 61 HA ARG 61 -5.362 -0.312 5.437 527 HB2 ARG 61 HB2 ARG 61 -3.919 -2.220 5.883 528 HB3 ARG 61 HB1 ARG 61 -5.444 -2.431 6.734 529 HG2 ARG 61 HG2 ARG 61 -6.209 -3.994 5.062 530 HG3 ARG 61 HG1 ARG 61 -4.768 -3.711 4.097 531 HD2 ARG 61 HD2 ARG 61 -4.599 -5.777 5.268 532 HD3 ARG 61 HD1 ARG 61 -3.400 -4.644 5.894 533 HE ARG 61 HE ARG 61 -5.298 -4.272 7.669 534 HH11 ARG 61 HH11 ARG 61 -4.107 -7.366 6.388 535 HH12 ARG 61 HH12 ARG 61 -4.635 -8.292 7.670 536 HH21 ARG 61 HH21 ARG 61 -5.953 -5.515 9.487 537 HH22 ARG 61 HH22 ARG 61 -5.692 -7.225 9.468 538 H LEU 62 HN LEU 62 -3.400 -0.319 4.258 539 HA LEU 62 HA LEU 62 -3.377 -1.575 1.652 540 HB2 LEU 62 HB2 LEU 62 -4.226 0.715 1.294 541 HB3 LEU 62 HB1 LEU 62 -2.877 1.380 2.176 542 HG LEU 62 HG LEU 62 -2.474 -0.128 -0.421 543 HD11 LEU 62 HD11 LEU 62 -3.002 2.822 -0.053 544 HD12 LEU 62 HD12 LEU 62 -4.057 1.667 -0.874 545 HD13 LEU 62 HD13 LEU 62 -2.474 2.049 -1.547 546 HD21 LEU 62 HD21 LEU 62 -0.863 2.018 0.973 547 HD22 LEU 62 HD22 LEU 62 -0.445 1.239 -0.553 548 HD23 LEU 62 HD23 LEU 62 -0.475 0.297 0.935 549 H VAL 63 HN VAL 63 -1.446 -2.456 1.330 550 HA VAL 63 HA VAL 63 0.656 -1.884 3.321 551 HB VAL 63 HB VAL 63 0.418 -4.405 1.691 552 HG11 VAL 63 HG11 VAL 63 1.760 -5.385 3.496 553 HG12 VAL 63 HG12 VAL 63 1.777 -3.812 4.298 554 HG13 VAL 63 HG13 VAL 63 2.555 -4.005 2.725 555 HG21 VAL 63 HG21 VAL 63 -0.684 -5.518 3.590 556 HG22 VAL 63 HG22 VAL 63 -1.683 -4.245 2.894 557 HG23 VAL 63 HG23 VAL 63 -0.825 -3.960 4.408 558 H TYR 64 HN TYR 64 2.654 -1.314 2.441 559 HA TYR 64 HA TYR 64 3.078 -1.794 -0.384 560 HB2 TYR 64 HB2 TYR 64 3.620 0.526 -0.893 561 HB3 TYR 64 HB1 TYR 64 1.967 0.418 -0.320 562 HD1 TYR 64 HD2 TYR 64 1.472 1.140 2.070 563 HD2 TYR 64 HD1 TYR 64 5.196 1.938 0.173 564 HE1 TYR 64 HE2 TYR 64 1.948 2.896 3.728 565 HE2 TYR 64 HE1 TYR 64 5.664 3.687 1.835 566 HH TYR 64 HH TYR 64 3.823 4.045 4.673 567 H GLN 65 HN GLN 65 5.294 -1.180 -0.989 568 HA GLN 65 HA GLN 65 7.137 -1.198 1.267 569 HB2 GLN 65 HB2 GLN 65 7.248 -3.391 0.263 570 HB3 GLN 65 HB1 GLN 65 7.362 -2.705 -1.351 571 HG2 GLN 65 HG2 GLN 65 9.559 -1.785 -0.838 572 HG3 GLN 65 HG1 GLN 65 9.446 -2.383 0.814 573 HE21 GLN 65 HE21 GLN 65 8.289 -4.848 0.111 574 HE22 GLN 65 HE22 GLN 65 9.514 -5.827 -0.642 575 H VAL 66 HN VAL 66 8.857 0.099 1.047 576 HA VAL 66 HA VAL 66 8.574 2.113 -1.037 577 HB VAL 66 HB VAL 66 10.248 2.182 1.495 578 HG11 VAL 66 HG11 VAL 66 10.578 4.560 0.985 579 HG12 VAL 66 HG12 VAL 66 9.683 4.368 -0.522 580 HG13 VAL 66 HG13 VAL 66 11.231 3.551 -0.309 581 HG21 VAL 66 HG21 VAL 66 7.683 3.546 0.752 582 HG22 VAL 66 HG22 VAL 66 8.598 3.824 2.243 583 HG23 VAL 66 HG23 VAL 66 7.876 2.244 1.921 584 H ILE 67 HN ILE 67 9.660 1.546 -2.785 585 HA ILE 67 HA ILE 67 12.263 0.254 -2.467 586 HB ILE 67 HB ILE 67 10.769 0.884 -5.021 587 HG12 ILE 67 HG12 ILE 67 10.764 -1.721 -3.452 588 HG13 ILE 67 HG11 ILE 67 9.400 -0.625 -3.613 589 HG21 ILE 67 HG21 ILE 67 12.256 -0.851 -5.980 590 HG22 ILE 67 HG22 ILE 67 13.020 -1.049 -4.405 591 HG23 ILE 67 HG23 ILE 67 13.165 0.481 -5.270 592 HD11 ILE 67 HD11 ILE 67 9.328 -1.074 -6.012 593 HD12 ILE 67 HD12 ILE 67 9.167 -2.555 -5.068 594 HD13 ILE 67 HD13 ILE 67 10.699 -2.169 -5.849 595 H ASP 68 HN ASP 68 13.758 1.798 -2.113 596 HA ASP 68 HA ASP 68 13.231 4.449 -3.108 597 HB2 ASP 68 HB2 ASP 68 14.159 4.081 -0.813 598 HB3 ASP 68 HB1 ASP 68 15.664 3.547 -1.559 599 H GLU 69 HN GLU 69 15.352 1.799 -3.817 600 HA GLU 69 HA GLU 69 17.139 3.148 -5.507 601 HB2 GLU 69 HB2 GLU 69 17.558 0.921 -6.561 602 HB3 GLU 69 HB1 GLU 69 17.708 0.929 -4.812 603 HG2 GLU 69 HG2 GLU 69 15.729 -0.264 -4.524 604 HG3 GLU 69 HG1 GLU 69 15.165 0.115 -6.147 605 H LYS 70 HN LYS 70 13.954 1.869 -6.157 606 HA LYS 70 HA LYS 70 14.202 2.646 -8.971 607 HB2 LYS 70 HB2 LYS 70 11.984 1.112 -7.599 608 HB3 LYS 70 HB1 LYS 70 12.101 1.418 -9.328 609 HG2 LYS 70 HG2 LYS 70 14.142 0.113 -9.426 610 HG3 LYS 70 HG1 LYS 70 14.048 -0.183 -7.691 611 HD2 LYS 70 HD2 LYS 70 11.823 -1.263 -8.107 612 HD3 LYS 70 HD1 LYS 70 12.159 -1.127 -9.834 613 HE2 LYS 70 HE2 LYS 70 13.826 -2.569 -7.796 614 HE3 LYS 70 HE1 LYS 70 12.788 -3.341 -9.003 615 HZ1 LYS 70 HZ1 LYS 70 14.257 -2.304 -10.715 616 HZ2 LYS 70 HZ2 LYS 70 15.022 -3.421 -9.725 617 HZ3 LYS 70 HZ3 LYS 70 15.293 -1.795 -9.468 618 H VAL 71 HN VAL 71 13.399 3.935 -6.138 619 HA VAL 71 HA VAL 71 12.087 5.479 -5.225 620 HB VAL 71 HB VAL 71 11.919 6.904 -7.858 621 HG11 VAL 71 HG11 VAL 71 12.411 7.852 -5.061 622 HG12 VAL 71 HG12 VAL 71 10.858 7.757 -5.842 623 HG13 VAL 71 HG13 VAL 71 12.083 8.886 -6.464 624 HG21 VAL 71 HG21 VAL 71 14.197 6.094 -7.748 625 HG22 VAL 71 HG22 VAL 71 14.378 6.776 -6.123 626 HG23 VAL 71 HG23 VAL 71 14.133 7.843 -7.517 627 H VAL 72 HN VAL 72 10.333 3.942 -5.080 628 HA VAL 72 HA VAL 72 7.992 4.954 -6.356 629 HB VAL 72 HB VAL 72 8.842 3.525 -8.135 630 HG11 VAL 72 HG11 VAL 72 9.081 1.108 -7.866 631 HG12 VAL 72 HG12 VAL 72 8.775 1.275 -6.137 632 HG13 VAL 72 HG13 VAL 72 10.214 2.002 -6.851 633 HG21 VAL 72 HG21 VAL 72 6.923 2.054 -8.432 634 HG22 VAL 72 HG22 VAL 72 6.439 3.646 -7.843 635 HG23 VAL 72 HG23 VAL 72 6.495 2.276 -6.735 636 H VAL 73 HN VAL 73 6.161 4.403 -5.327 637 HA VAL 73 HA VAL 73 6.376 2.880 -2.867 638 HB VAL 73 HB VAL 73 4.134 4.602 -3.987 639 HG11 VAL 73 HG11 VAL 73 4.413 3.346 -1.256 640 HG12 VAL 73 HG12 VAL 73 3.284 2.845 -2.514 641 HG13 VAL 73 HG13 VAL 73 3.121 4.432 -1.768 642 HG21 VAL 73 HG21 VAL 73 6.079 5.863 -3.424 643 HG22 VAL 73 HG22 VAL 73 6.128 5.158 -1.805 644 HG23 VAL 73 HG23 VAL 73 4.784 6.213 -2.282 645 H PHE 74 HN PHE 74 6.240 0.815 -3.377 646 HA PHE 74 HA PHE 74 4.473 0.005 -5.519 647 HB2 PHE 74 HB2 PHE 74 6.724 -0.842 -5.694 648 HB3 PHE 74 HB1 PHE 74 6.679 -1.441 -4.047 649 HD1 PHE 74 HD1 PHE 74 4.081 -1.832 -6.685 650 HD2 PHE 74 HD2 PHE 74 7.093 -3.707 -4.339 651 HE1 PHE 74 HE1 PHE 74 3.359 -4.019 -7.507 652 HE2 PHE 74 HE2 PHE 74 6.369 -5.903 -5.160 653 HZ PHE 74 HZ PHE 74 4.489 -6.057 -6.750 654 H VAL 75 HN VAL 75 2.513 -0.147 -4.836 655 HA VAL 75 HA VAL 75 1.807 -1.045 -2.229 656 HB VAL 75 HB VAL 75 0.017 -0.627 -4.634 657 HG11 VAL 75 HG11 VAL 75 -1.773 -0.414 -2.965 658 HG12 VAL 75 HG12 VAL 75 -0.617 -0.805 -1.690 659 HG13 VAL 75 HG13 VAL 75 -1.011 -2.005 -2.920 660 HG21 VAL 75 HG21 VAL 75 0.735 1.274 -2.395 661 HG22 VAL 75 HG22 VAL 75 -0.485 1.567 -3.631 662 HG23 VAL 75 HG23 VAL 75 1.213 1.422 -4.086 663 H ILE 76 HN ILE 76 1.607 -2.958 -1.619 664 HA ILE 76 HA ILE 76 1.988 -5.226 -3.367 665 HB ILE 76 HB ILE 76 1.656 -5.077 -0.374 666 HG12 ILE 76 HG12 ILE 76 3.569 -3.721 -1.150 667 HG13 ILE 76 HG11 ILE 76 4.086 -5.095 -0.191 668 HG21 ILE 76 HG21 ILE 76 2.747 -7.224 -0.328 669 HG22 ILE 76 HG22 ILE 76 2.827 -7.260 -2.093 670 HG23 ILE 76 HG23 ILE 76 1.260 -7.304 -1.273 671 HD11 ILE 76 HD11 ILE 76 4.676 -6.274 -2.270 672 HD12 ILE 76 HD12 ILE 76 5.555 -4.759 -2.069 673 HD13 ILE 76 HD13 ILE 76 4.197 -4.849 -3.191 674 H SER 77 HN SER 77 -0.372 -4.167 -0.877 675 HA SER 77 HA SER 77 -2.424 -5.837 -2.113 676 HB2 SER 77 HB2 SER 77 -1.745 -5.932 0.833 677 HB3 SER 77 HB1 SER 77 -3.000 -6.859 0.008 678 HG SER 77 HG SER 77 -1.057 -7.507 -1.348 679 H VAL 78 HN VAL 78 -4.478 -5.081 -1.773 680 HA VAL 78 HA VAL 78 -4.826 -2.613 -0.180 681 HB VAL 78 HB VAL 78 -5.983 -3.165 -2.937 682 HG11 VAL 78 HG11 VAL 78 -7.502 -1.935 -1.548 683 HG12 VAL 78 HG12 VAL 78 -6.862 -0.901 -2.833 684 HG13 VAL 78 HG13 VAL 78 -6.252 -0.752 -1.180 685 HG21 VAL 78 HG21 VAL 78 -3.618 -2.576 -3.067 686 HG22 VAL 78 HG22 VAL 78 -3.926 -1.120 -2.117 687 HG23 VAL 78 HG23 VAL 78 -4.637 -1.295 -3.722 688 H GLY 79 HN GLY 79 -6.641 -2.777 1.191 689 HA2 GLY 79 HA2 GLY 79 -9.136 -3.187 0.820 690 HA3 GLY 79 HA1 GLY 79 -8.623 -4.822 0.448 691 H LYS 80 HN LYS 80 -10.153 -5.295 2.208 692 HA LYS 80 HA LYS 80 -8.888 -4.925 4.810 693 HB2 LYS 80 HB2 LYS 80 -11.676 -5.886 4.153 694 HB3 LYS 80 HB1 LYS 80 -11.002 -5.868 5.774 695 HG2 LYS 80 HG2 LYS 80 -10.685 -3.405 5.479 696 HG3 LYS 80 HG1 LYS 80 -11.651 -3.527 4.013 697 HD2 LYS 80 HD2 LYS 80 -12.551 -4.249 6.821 698 HD3 LYS 80 HD1 LYS 80 -12.966 -2.774 5.967 699 HE2 LYS 80 HE2 LYS 80 -14.865 -4.159 5.796 700 HE3 LYS 80 HE1 LYS 80 -14.070 -4.273 4.233 701 HZ1 LYS 80 HZ1 LYS 80 -13.785 -6.283 6.408 702 HZ2 LYS 80 HZ2 LYS 80 -13.269 -6.456 4.791 703 HZ3 LYS 80 HZ3 LYS 80 -14.884 -6.388 5.159 704 H ALA 81 HN ALA 81 -7.433 -6.391 5.082 705 HA ALA 81 HA ALA 81 -8.116 -9.186 4.533 706 HB1 ALA 81 HB1 ALA 81 -5.849 -8.482 3.854 707 HB2 ALA 81 HB2 ALA 81 -5.807 -9.630 5.211 708 HB3 ALA 81 HB3 ALA 81 -5.561 -7.917 5.508 709 H GLU 82 HN GLU 82 -6.716 -10.239 6.703 710 HA GLU 82 HA GLU 82 -8.918 -9.771 8.460 711 HB2 GLU 82 HB2 GLU 82 -8.274 -12.054 7.728 712 HB3 GLU 82 HB1 GLU 82 -6.807 -11.887 8.680 713 HG2 GLU 82 HG2 GLU 82 -8.672 -13.116 9.748 714 HG3 GLU 82 HG1 GLU 82 -7.961 -11.770 10.659 715 H ALA 83 HN ALA 83 -8.837 -9.163 10.512 716 HA ALA 83 HA ALA 83 -6.296 -8.005 11.440 717 HB1 ALA 83 HB1 ALA 83 -8.983 -6.646 11.576 718 HB2 ALA 83 HB2 ALA 83 -7.679 -6.233 10.461 719 HB3 ALA 83 HB3 ALA 83 -7.462 -6.002 12.195 720 H SER 84 HN SER 84 -9.433 -9.343 12.223 721 HA SER 84 HA SER 84 -8.696 -9.331 15.057 722 HB2 SER 84 HB2 SER 84 -11.400 -9.746 13.778 723 HB3 SER 84 HB1 SER 84 -11.074 -9.527 15.500 724 HG SER 84 HG SER 84 -9.946 -7.514 14.239 725 H GLU 85 HN GLU 85 -10.128 -11.349 12.483 726 HA GLU 85 HA GLU 85 -10.140 -13.694 14.102 727 HB2 GLU 85 HB2 GLU 85 -10.655 -13.276 11.167 728 HB3 GLU 85 HB1 GLU 85 -10.793 -14.831 11.975 729 HG2 GLU 85 HG2 GLU 85 -12.363 -12.372 12.699 730 HG3 GLU 85 HG1 GLU 85 -12.953 -13.696 11.690 731 H VAL 86 HN VAL 86 -7.650 -12.146 12.700 732 HA VAL 86 HA VAL 86 -6.167 -14.294 11.600 733 HB VAL 86 HB VAL 86 -5.663 -11.898 11.120 734 HG11 VAL 86 HG11 VAL 86 -4.612 -11.787 13.931 735 HG12 VAL 86 HG12 VAL 86 -6.001 -10.914 13.287 736 HG13 VAL 86 HG13 VAL 86 -4.377 -10.539 12.709 737 HG21 VAL 86 HG21 VAL 86 -3.946 -13.535 10.634 738 HG22 VAL 86 HG22 VAL 86 -3.346 -13.439 12.289 739 HG23 VAL 86 HG23 VAL 86 -3.195 -12.048 11.216 740 H TYR 87 HN TYR 87 -6.720 -13.109 14.797 741 HA TYR 87 HA TYR 87 -4.658 -14.780 15.973 742 HB2 TYR 87 HB2 TYR 87 -5.277 -12.484 16.865 743 HB3 TYR 87 HB1 TYR 87 -6.819 -13.167 17.359 744 HD1 TYR 87 HD1 TYR 87 -3.226 -13.040 18.032 745 HD2 TYR 87 HD2 TYR 87 -6.945 -14.679 19.290 746 HE1 TYR 87 HE1 TYR 87 -2.201 -13.702 20.169 747 HE2 TYR 87 HE2 TYR 87 -5.926 -15.351 21.430 748 HH TYR 87 HH TYR 87 -3.750 -15.831 22.314 749 H SER 88 HN SER 88 -8.094 -14.730 15.370 750 HA SER 88 HA SER 88 -8.882 -16.806 17.095 751 HB2 SER 88 HB2 SER 88 -10.199 -15.929 14.536 752 HB3 SER 88 HB1 SER 88 -10.971 -16.579 15.986 753 HG SER 88 HG SER 88 -11.129 -14.269 15.696 754 H GLU 89 HN GLU 89 -7.988 -16.681 13.634 755 HA GLU 89 HA GLU 89 -8.457 -19.480 13.226 756 HB2 GLU 89 HB2 GLU 89 -8.792 -17.763 11.446 757 HB3 GLU 89 HB1 GLU 89 -7.059 -17.488 11.427 758 HG2 GLU 89 HG2 GLU 89 -6.701 -19.801 10.706 759 HG3 GLU 89 HG1 GLU 89 -8.443 -20.070 10.729 760 H ALA 90 HN ALA 90 -5.846 -17.573 14.317 761 HA ALA 90 HA ALA 90 -3.658 -19.239 13.684 762 HB1 ALA 90 HB1 ALA 90 -3.364 -16.974 14.584 763 HB2 ALA 90 HB2 ALA 90 -2.531 -18.153 15.601 764 HB3 ALA 90 HB3 ALA 90 -4.079 -17.480 16.113 765 H VAL 91 HN VAL 91 -2.663 -20.882 14.996 766 HA VAL 91 HA VAL 91 -4.591 -22.653 15.895 767 HB VAL 91 HB VAL 91 -2.847 -24.157 16.683 768 HG11 VAL 91 HG11 VAL 91 -3.494 -24.236 14.376 769 HG12 VAL 91 HG12 VAL 91 -1.757 -24.524 14.492 770 HG13 VAL 91 HG13 VAL 91 -2.364 -22.945 13.982 771 HG21 VAL 91 HG21 VAL 91 -0.448 -23.610 16.304 772 HG22 VAL 91 HG22 VAL 91 -1.201 -22.628 17.556 773 HG23 VAL 91 HG23 VAL 91 -0.917 -21.941 15.952 774 H LYS 92 HN LYS 92 -5.757 -22.603 17.512 775 HA LYS 92 HA LYS 92 -4.917 -21.327 19.954 776 HB2 LYS 92 HB2 LYS 92 -7.170 -21.839 20.768 777 HB3 LYS 92 HB1 LYS 92 -7.215 -21.057 19.197 778 HG2 LYS 92 HG2 LYS 92 -7.463 -23.395 18.218 779 HG3 LYS 92 HG1 LYS 92 -7.750 -23.938 19.869 780 HD2 LYS 92 HD2 LYS 92 -9.871 -23.555 18.814 781 HD3 LYS 92 HD1 LYS 92 -9.613 -22.278 20.008 782 HE2 LYS 92 HE2 LYS 92 -8.845 -20.775 18.217 783 HE3 LYS 92 HE1 LYS 92 -9.083 -22.060 17.053 784 HZ1 LYS 92 HZ1 LYS 92 -11.179 -20.732 18.676 785 HZ2 LYS 92 HZ2 LYS 92 -11.468 -22.016 17.618 786 HZ3 LYS 92 HZ3 LYS 92 -10.926 -20.544 17.024 787 H ARG 93 HN ARG 93 -5.078 -24.417 18.554 788 HA ARG 93 HA ARG 93 -4.489 -25.749 21.047 789 HB2 ARG 93 HB2 ARG 93 -4.378 -27.837 19.671 790 HB3 ARG 93 HB1 ARG 93 -5.925 -27.025 19.623 791 HG2 ARG 93 HG2 ARG 93 -5.429 -26.160 17.419 792 HG3 ARG 93 HG1 ARG 93 -3.815 -26.879 17.478 793 HD2 ARG 93 HD2 ARG 93 -5.441 -28.229 16.194 794 HD3 ARG 93 HD1 ARG 93 -4.763 -29.088 17.579 795 HE ARG 93 HE ARG 93 -7.243 -27.723 18.086 796 HH11 ARG 93 HH11 ARG 93 -5.807 -30.762 17.000 797 HH12 ARG 93 HH12 ARG 93 -7.103 -31.728 17.526 798 HH21 ARG 93 HH21 ARG 93 -9.048 -29.060 18.786 799 HH22 ARG 93 HH22 ARG 93 -8.995 -30.736 18.510 800 H ILE 94 HN ILE 94 -2.714 -23.956 20.711 801 HA ILE 94 HA ILE 94 -0.371 -24.811 19.367 802 HB ILE 94 HB ILE 94 -0.631 -22.449 19.793 803 HG12 ILE 94 HG12 ILE 94 1.597 -23.500 21.561 804 HG13 ILE 94 HG11 ILE 94 1.691 -23.288 19.820 805 HG21 ILE 94 HG21 ILE 94 -0.747 -23.078 22.730 806 HG22 ILE 94 HG22 ILE 94 -2.054 -22.461 21.722 807 HG23 ILE 94 HG23 ILE 94 -0.643 -21.456 22.045 808 HD11 ILE 94 HD11 ILE 94 1.430 -20.869 20.108 809 HD12 ILE 94 HD12 ILE 94 2.826 -21.490 20.989 810 HD13 ILE 94 HD13 ILE 94 1.344 -21.092 21.857 811 H LEU 95 HN LEU 95 -1.672 -25.252 22.587 812 HA LEU 95 HA LEU 95 0.672 -26.848 23.326 813 HB2 LEU 95 HB2 LEU 95 -1.549 -25.741 25.059 814 HB3 LEU 95 HB1 LEU 95 -0.189 -26.680 25.625 815 HG LEU 95 HG LEU 95 -0.028 -23.914 24.425 816 HD11 LEU 95 HD11 LEU 95 0.558 -23.221 26.677 817 HD12 LEU 95 HD12 LEU 95 0.282 -24.863 27.261 818 HD13 LEU 95 HD13 LEU 95 -1.060 -23.915 26.616 819 HD21 LEU 95 HD21 LEU 95 2.312 -23.976 25.157 820 HD22 LEU 95 HD22 LEU 95 1.983 -25.214 23.947 821 HD23 LEU 95 HD23 LEU 95 2.113 -25.656 25.653 822 H LYS 47 H LYS 47 -0.038 0.815 23.888 823 HA LYS 47 HA LYS 47 1.046 -0.910 22.719 824 HB2 LYS 47 HB2 LYS 47 -0.649 0.057 20.397 825 HB3 LYS 47 HB1 LYS 47 0.811 -0.882 20.190 826 HG2 LYS 47 HG2 LYS 47 -0.976 -2.398 19.940 827 HG3 LYS 47 HG1 LYS 47 -0.331 -2.703 21.540 828 HD2 LYS 47 HD2 LYS 47 -2.178 -1.406 22.524 829 HD3 LYS 47 HD1 LYS 47 -2.773 -1.057 20.903 830 HE2 LYS 47 HE2 LYS 47 -3.146 -3.410 20.494 831 HE3 LYS 47 HE1 LYS 47 -2.478 -3.817 22.067 832 HZ1 LYS 47 HZ1 LYS 47 -4.894 -3.824 22.041 833 HZ2 LYS 47 HZ2 LYS 47 -4.948 -2.216 21.618 834 HZ3 LYS 47 HZ3 LYS 47 -4.319 -2.682 23.125 835 H GLN 48 HN GLN 48 3.055 -0.273 22.231 836 HA GLN 48 HA GLN 48 3.584 2.529 22.086 837 HB2 GLN 48 HB2 GLN 48 5.953 1.881 22.091 838 HB3 GLN 48 HB1 GLN 48 5.051 1.070 23.358 839 HG2 GLN 48 HG2 GLN 48 4.961 -0.956 21.886 840 HG3 GLN 48 HG1 GLN 48 6.015 -0.106 20.765 841 HE21 GLN 48 HE21 GLN 48 6.468 -2.565 22.314 842 HE22 GLN 48 HE22 GLN 48 7.886 -2.273 23.234 843 H THR 49 HN THR 49 3.125 0.088 19.748 844 HA THR 49 HA THR 49 3.966 1.931 17.668 845 HB THR 49 HB THR 49 5.787 0.333 17.861 846 HG1 THR 49 HG1 THR 49 5.810 0.412 15.788 847 HG21 THR 49 HG21 THR 49 3.698 -1.833 17.552 848 HG22 THR 49 HG22 THR 49 4.628 -1.481 19.009 849 HG23 THR 49 HG23 THR 49 5.443 -2.094 17.572 850 H LEU 50 HN LEU 50 2.897 1.327 15.519 851 HA LEU 50 HA LEU 50 0.163 0.728 16.137 852 HB2 LEU 50 HB2 LEU 50 1.495 1.904 13.713 853 HB3 LEU 50 HB1 LEU 50 -0.195 1.476 13.748 854 HG LEU 50 HG LEU 50 -0.069 3.818 14.071 855 HD11 LEU 50 HD11 LEU 50 -1.069 4.189 16.240 856 HD12 LEU 50 HD12 LEU 50 -0.535 2.601 16.769 857 HD13 LEU 50 HD13 LEU 50 -1.713 2.743 15.463 858 HD21 LEU 50 HD21 LEU 50 1.910 3.349 16.302 859 HD22 LEU 50 HD22 LEU 50 1.241 4.914 15.838 860 HD23 LEU 50 HD23 LEU 50 2.272 4.025 14.715 861 H LEU 51 HN LEU 51 2.734 -1.094 15.226 862 HA LEU 51 HA LEU 51 1.231 -2.787 13.457 863 HB2 LEU 51 HB2 LEU 51 3.222 -4.275 13.447 864 HB3 LEU 51 HB1 LEU 51 3.604 -2.635 12.996 865 HG LEU 51 HG LEU 51 4.423 -2.383 15.442 866 HD11 LEU 51 HD11 LEU 51 3.495 -4.433 16.332 867 HD12 LEU 51 HD12 LEU 51 5.248 -4.401 16.497 868 HD13 LEU 51 HD13 LEU 51 4.500 -5.386 15.240 869 HD21 LEU 51 HD21 LEU 51 6.628 -3.279 14.847 870 HD22 LEU 51 HD22 LEU 51 5.906 -2.334 13.546 871 HD23 LEU 51 HD23 LEU 51 5.906 -4.096 13.461 872 H SER 52 HN SER 52 0.532 -4.899 13.915 873 HA SER 52 HA SER 52 0.327 -5.586 16.733 874 HB2 SER 52 HB2 SER 52 -1.630 -4.109 16.176 875 HB3 SER 52 HB1 SER 52 -2.082 -5.233 14.902 876 HG SER 52 HG SER 52 -3.150 -5.433 17.053 877 H ASP 53 HN ASP 53 -1.668 -7.580 16.135 878 HA ASP 53 HA ASP 53 0.142 -9.603 15.098 879 HB2 ASP 53 HB2 ASP 53 -1.448 -9.933 17.077 880 HB3 ASP 53 HB1 ASP 53 -2.722 -10.077 15.860 881 H GLU 54 HN GLU 54 -2.526 -7.838 13.902 882 HA GLU 54 HA GLU 54 -3.088 -9.322 11.621 883 HB2 GLU 54 HB2 GLU 54 -3.752 -7.147 10.581 884 HB3 GLU 54 HB1 GLU 54 -4.451 -7.421 12.170 885 HG2 GLU 54 HG2 GLU 54 -2.894 -5.904 13.179 886 HG3 GLU 54 HG1 GLU 54 -2.030 -5.707 11.657 887 H ASP 55 HN ASP 55 -0.361 -7.228 12.295 888 HA ASP 55 HA ASP 55 0.579 -7.055 9.644 889 HB2 ASP 55 HB2 ASP 55 2.029 -6.645 12.243 890 HB3 ASP 55 HB1 ASP 55 2.659 -6.220 10.648 891 H ALA 56 HN ALA 56 0.731 -9.532 11.918 892 HA ALA 56 HA ALA 56 3.070 -10.831 10.881 893 HB1 ALA 56 HB1 ALA 56 2.285 -12.805 12.130 894 HB2 ALA 56 HB2 ALA 56 0.738 -12.003 12.411 895 HB3 ALA 56 HB3 ALA 56 2.208 -11.350 13.128 896 H GLU 57 HN GLU 57 -0.176 -10.474 9.935 897 HA GLU 57 HA GLU 57 -0.218 -12.647 8.041 898 HB2 GLU 57 HB2 GLU 57 -2.264 -11.941 9.175 899 HB3 GLU 57 HB1 GLU 57 -2.056 -10.316 8.582 900 HG2 GLU 57 HG2 GLU 57 -2.228 -11.223 6.238 901 HG3 GLU 57 HG1 GLU 57 -2.693 -12.766 6.946 902 H LEU 58 HN LEU 58 0.019 -9.119 8.095 903 HA LEU 58 HA LEU 58 0.146 -8.681 5.343 904 HB2 LEU 58 HB2 LEU 58 1.279 -7.043 7.602 905 HB3 LEU 58 HB1 LEU 58 1.512 -6.583 5.944 906 HG LEU 58 HG LEU 58 -0.922 -6.347 5.627 907 HD11 LEU 58 HD11 LEU 58 -2.427 -6.385 7.487 908 HD12 LEU 58 HD12 LEU 58 -1.131 -6.903 8.558 909 HD13 LEU 58 HD13 LEU 58 -1.682 -7.963 7.259 910 HD21 LEU 58 HD21 LEU 58 -1.241 -4.367 6.990 911 HD22 LEU 58 HD22 LEU 58 0.381 -4.421 6.288 912 HD23 LEU 58 HD23 LEU 58 0.137 -4.830 7.989 913 H VAL 59 HN VAL 59 2.763 -9.495 7.561 914 HA VAL 59 HA VAL 59 4.770 -9.044 5.625 915 HB VAL 59 HB VAL 59 6.347 -10.180 7.055 916 HG11 VAL 59 HG11 VAL 59 5.817 -7.908 7.573 917 HG12 VAL 59 HG12 VAL 59 6.120 -8.807 9.060 918 HG13 VAL 59 HG13 VAL 59 4.466 -8.421 8.582 919 HG21 VAL 59 HG21 VAL 59 5.046 -12.067 7.780 920 HG22 VAL 59 HG22 VAL 59 3.950 -11.022 8.689 921 HG23 VAL 59 HG23 VAL 59 5.632 -11.198 9.203 922 H GLU 60 HN GLU 60 2.751 -11.828 6.244 923 HA GLU 60 HA GLU 60 4.477 -13.441 4.634 924 HB2 GLU 60 HB2 GLU 60 2.812 -15.247 4.871 925 HB3 GLU 60 HB1 GLU 60 3.320 -14.595 6.415 926 HG2 GLU 60 HG2 GLU 60 1.268 -13.390 6.644 927 HG3 GLU 60 HG1 GLU 60 0.765 -13.850 5.022 928 H ILE 61 HN ILE 61 1.503 -11.652 4.215 929 HA ILE 61 HA ILE 61 0.921 -12.638 1.638 930 HB ILE 61 HB ILE 61 0.156 -9.992 2.867 931 HG12 ILE 61 HG12 ILE 61 -1.390 -12.585 2.670 932 HG13 ILE 61 HG11 ILE 61 -0.666 -11.932 4.134 933 HG21 ILE 61 HG21 ILE 61 -0.069 -9.903 0.425 934 HG22 ILE 61 HG22 ILE 61 -1.666 -9.928 1.175 935 HG23 ILE 61 HG23 ILE 61 -1.011 -11.395 0.445 936 HD11 ILE 61 HD11 ILE 61 -2.197 -10.021 4.027 937 HD12 ILE 61 HD12 ILE 61 -3.065 -11.556 4.091 938 HD13 ILE 61 HD13 ILE 61 -2.914 -10.693 2.560 939 H VAL 62 HN VAL 62 2.920 -9.975 2.787 940 HA VAL 62 HA VAL 62 3.333 -8.956 0.187 941 HB VAL 62 HB VAL 62 3.728 -7.443 2.111 942 HG11 VAL 62 HG11 VAL 62 6.125 -9.130 2.728 943 HG12 VAL 62 HG12 VAL 62 4.630 -9.072 3.649 944 HG13 VAL 62 HG13 VAL 62 5.655 -7.634 3.546 945 HG21 VAL 62 HG21 VAL 62 5.819 -6.411 1.398 946 HG22 VAL 62 HG22 VAL 62 4.895 -6.964 -0.006 947 HG23 VAL 62 HG23 VAL 62 6.274 -7.895 0.565 948 H LYS 63 HN LYS 63 5.113 -11.271 2.115 949 HA LYS 63 HA LYS 63 7.258 -11.394 0.237 950 HB2 LYS 63 HB2 LYS 63 8.145 -13.189 1.560 951 HB3 LYS 63 HB1 LYS 63 7.549 -11.941 2.640 952 HG2 LYS 63 HG2 LYS 63 5.468 -13.297 2.912 953 HG3 LYS 63 HG1 LYS 63 6.254 -14.576 2.000 954 HD2 LYS 63 HD2 LYS 63 7.144 -13.423 4.644 955 HD3 LYS 63 HD1 LYS 63 6.488 -15.025 4.358 956 HE2 LYS 63 HE2 LYS 63 8.445 -15.500 2.871 957 HE3 LYS 63 HE1 LYS 63 9.115 -13.947 3.352 958 HZ1 LYS 63 HZ1 LYS 63 10.080 -15.611 4.721 959 HZ2 LYS 63 HZ2 LYS 63 8.590 -16.276 5.080 960 HZ3 LYS 63 HZ3 LYS 63 8.992 -14.761 5.693 961 H GLU 64 HN GLU 64 4.168 -12.954 0.510 962 HA GLU 64 HA GLU 64 4.865 -15.116 -1.233 963 HB2 GLU 64 HB2 GLU 64 2.582 -15.838 -1.063 964 HB3 GLU 64 HB1 GLU 64 3.062 -15.230 0.520 965 HG2 GLU 64 HG2 GLU 64 1.930 -13.155 0.062 966 HG3 GLU 64 HG1 GLU 64 1.513 -13.806 -1.522 967 H ARG 65 HN ARG 65 3.454 -11.966 -1.638 968 HA ARG 65 HA ARG 65 3.038 -12.473 -4.459 969 HB2 ARG 65 HB2 ARG 65 2.775 -9.898 -2.891 970 HB3 ARG 65 HB1 ARG 65 2.415 -10.054 -4.603 971 HG2 ARG 65 HG2 ARG 65 0.674 -11.714 -4.049 972 HG3 ARG 65 HG1 ARG 65 1.007 -11.445 -2.339 973 HD2 ARG 65 HD2 ARG 65 0.414 -9.068 -2.616 974 HD3 ARG 65 HD1 ARG 65 0.041 -9.370 -4.313 975 HE ARG 65 HE ARG 65 -1.396 -11.158 -2.726 976 HH11 ARG 65 HH11 ARG 65 -1.430 -7.684 -3.591 977 HH12 ARG 65 HH12 ARG 65 -3.071 -7.475 -3.188 978 HH21 ARG 65 HH21 ARG 65 -3.679 -10.803 -2.198 979 HH22 ARG 65 HH22 ARG 65 -4.339 -9.227 -2.382 980 H LEU 66 HN LEU 66 5.485 -11.147 -2.427 981 HA LEU 66 HA LEU 66 6.819 -9.507 -4.302 982 HB2 LEU 66 HB2 LEU 66 6.980 -9.498 -1.772 983 HB3 LEU 66 HB1 LEU 66 8.029 -10.873 -1.927 984 HG LEU 66 HG LEU 66 9.660 -9.527 -3.184 985 HD11 LEU 66 HD11 LEU 66 8.152 -7.941 -4.217 986 HD12 LEU 66 HD12 LEU 66 9.358 -7.071 -3.259 987 HD13 LEU 66 HD13 LEU 66 7.716 -7.294 -2.640 988 HD21 LEU 66 HD21 LEU 66 8.784 -8.323 -0.568 989 HD22 LEU 66 HD22 LEU 66 10.382 -8.143 -1.300 990 HD23 LEU 66 HD23 LEU 66 9.826 -9.733 -0.757 991 H ARG 67 HN ARG 67 6.630 -12.834 -4.066 992 HA ARG 67 HA ARG 67 9.264 -13.456 -5.003 993 HB2 ARG 67 HB2 ARG 67 8.529 -15.756 -5.094 994 HB3 ARG 67 HB1 ARG 67 7.975 -15.032 -3.601 995 HG2 ARG 67 HG2 ARG 67 5.743 -14.704 -4.717 996 HG3 ARG 67 HG1 ARG 67 6.352 -15.697 -6.043 997 HD2 ARG 67 HD2 ARG 67 6.043 -16.506 -3.153 998 HD3 ARG 67 HD1 ARG 67 5.109 -17.096 -4.523 999 HE ARG 67 HE ARG 67 7.729 -17.637 -5.102 1000 HH11 ARG 67 HH11 ARG 67 5.470 -18.582 -2.525 1001 HH12 ARG 67 HH12 ARG 67 6.225 -20.085 -2.269 1002 HH21 ARG 67 HH21 ARG 67 8.746 -19.632 -4.711 1003 HH22 ARG 67 HH22 ARG 67 8.132 -20.712 -3.518 1004 H ASN 68 HN ASN 68 6.196 -12.719 -6.464 1005 HA ASN 68 HA ASN 68 7.389 -12.402 -9.011 1006 HB2 ASN 68 HB2 ASN 68 6.909 -14.848 -9.008 1007 HB3 ASN 68 HB1 ASN 68 5.230 -14.493 -8.625 1008 HD21 ASN 68 HD21 ASN 68 4.458 -15.424 -10.411 1009 HD22 ASN 68 HD22 ASN 68 4.643 -14.739 -11.989 1010 HA PRO 69 HA PRO 69 3.860 -9.799 -7.608 1011 HB2 PRO 69 HB2 PRO 69 5.360 -7.433 -8.032 1012 HB3 PRO 69 HB1 PRO 69 4.958 -8.198 -6.497 1013 HG2 PRO 69 HG2 PRO 69 7.514 -7.996 -7.602 1014 HG3 PRO 69 HG1 PRO 69 7.039 -9.089 -6.298 1015 HD2 PRO 69 HD2 PRO 69 7.420 -9.642 -9.192 1016 HD3 PRO 69 HD1 PRO 69 7.700 -10.692 -7.786 1017 H LYS 70 HN LYS 70 5.943 -8.442 -10.190 1018 HA LYS 70 HA LYS 70 5.553 -7.344 -12.052 1019 HB2 LYS 70 HB2 LYS 70 2.921 -8.815 -12.042 1020 HB3 LYS 70 HB1 LYS 70 3.186 -7.517 -13.185 1021 HG2 LYS 70 HG2 LYS 70 3.612 -9.585 -14.272 1022 HG3 LYS 70 HG1 LYS 70 5.153 -8.765 -14.050 1023 HD2 LYS 70 HD2 LYS 70 5.584 -10.187 -12.097 1024 HD3 LYS 70 HD1 LYS 70 4.047 -11.004 -12.379 1025 HE2 LYS 70 HE2 LYS 70 6.354 -10.908 -14.312 1026 HE3 LYS 70 HE1 LYS 70 5.920 -12.283 -13.301 1027 HZ1 LYS 70 HZ1 LYS 70 3.794 -12.416 -14.480 1028 HZ2 LYS 70 HZ2 LYS 70 5.080 -12.543 -15.548 1029 HZ3 LYS 70 HZ3 LYS 70 4.221 -11.108 -15.447 1030 HA PRO 71 HA PRO 71 3.571 -3.919 -9.956 1031 HB2 PRO 71 HB2 PRO 71 5.729 -2.253 -10.113 1032 HB3 PRO 71 HB1 PRO 71 5.421 -3.341 -8.760 1033 HG2 PRO 71 HG2 PRO 71 7.425 -3.529 -10.900 1034 HG3 PRO 71 HG1 PRO 71 7.424 -4.286 -9.304 1035 HD2 PRO 71 HD2 PRO 71 6.780 -5.500 -11.797 1036 HD3 PRO 71 HD1 PRO 71 6.641 -6.211 -10.178 1037 H VAL 72 HN VAL 72 2.542 -2.423 -11.037 1038 HA VAL 72 HA VAL 72 3.262 -1.975 -13.846 1039 HB VAL 72 HB VAL 72 0.572 -1.555 -12.535 1040 HG11 VAL 72 HG11 VAL 72 -0.289 -1.543 -14.823 1041 HG12 VAL 72 HG12 VAL 72 1.356 -1.720 -15.435 1042 HG13 VAL 72 HG13 VAL 72 0.894 -0.263 -14.556 1043 HG21 VAL 72 HG21 VAL 72 1.116 -3.912 -12.396 1044 HG22 VAL 72 HG22 VAL 72 1.535 -3.937 -14.108 1045 HG23 VAL 72 HG23 VAL 72 -0.134 -3.650 -13.612 1046 H ARG 73 HN ARG 73 4.105 -0.045 -14.220 1047 HA ARG 73 HA ARG 73 4.256 2.116 -12.465 1048 HB2 ARG 73 HB2 ARG 73 4.468 1.967 -15.465 1049 HB3 ARG 73 HB1 ARG 73 4.805 3.414 -14.537 1050 HG2 ARG 73 HG2 ARG 73 6.269 0.803 -14.272 1051 HG3 ARG 73 HG1 ARG 73 6.827 2.192 -15.206 1052 HD2 ARG 73 HD2 ARG 73 6.674 3.526 -13.090 1053 HD3 ARG 73 HD1 ARG 73 6.428 2.010 -12.229 1054 HE ARG 73 HE ARG 73 8.728 2.129 -13.948 1055 HH11 ARG 73 HH11 ARG 73 7.492 2.210 -10.660 1056 HH12 ARG 73 HH12 ARG 73 9.004 2.398 -9.907 1057 HH21 ARG 73 HH21 ARG 73 10.837 2.329 -12.975 1058 HH22 ARG 73 HH22 ARG 73 11.008 2.464 -11.297 1059 H VAL 74 HN VAL 74 2.502 3.172 -11.735 1060 HA VAL 74 HA VAL 74 0.643 4.143 -13.734 1061 HB VAL 74 HB VAL 74 -1.286 3.836 -12.186 1062 HG11 VAL 74 HG11 VAL 74 -1.619 1.444 -12.583 1063 HG12 VAL 74 HG12 VAL 74 0.090 1.283 -12.988 1064 HG13 VAL 74 HG13 VAL 74 -0.969 2.268 -14.002 1065 HG21 VAL 74 HG21 VAL 74 -1.116 2.222 -10.363 1066 HG22 VAL 74 HG22 VAL 74 -0.102 3.643 -10.090 1067 HG23 VAL 74 HG23 VAL 74 0.632 2.123 -10.611 1068 H THR 75 HN THR 75 -0.895 5.699 -12.607 1069 HA THR 75 HA THR 75 0.542 7.493 -10.840 1070 HB THR 75 HB THR 75 -0.441 9.393 -12.228 1071 HG1 THR 75 HG1 THR 75 -0.835 7.298 -14.141 1072 HG21 THR 75 HG21 THR 75 1.305 9.315 -13.975 1073 HG22 THR 75 HG22 THR 75 1.564 7.606 -13.626 1074 HG23 THR 75 HG23 THR 75 1.940 8.821 -12.405 1075 H LEU 76 HN LEU 76 -0.962 8.877 -9.677 1076 HA LEU 76 HA LEU 76 -3.358 7.553 -8.859 1077 HB2 LEU 76 HB2 LEU 76 -2.388 10.350 -8.322 1078 HB3 LEU 76 HB1 LEU 76 -3.738 9.583 -7.508 1079 HG LEU 76 HG LEU 76 -0.960 8.509 -7.456 1080 HD11 LEU 76 HD11 LEU 76 -2.382 10.251 -5.437 1081 HD12 LEU 76 HD12 LEU 76 -0.997 10.734 -6.425 1082 HD13 LEU 76 HD13 LEU 76 -0.811 9.486 -5.192 1083 HD21 LEU 76 HD21 LEU 76 -3.374 7.951 -5.736 1084 HD22 LEU 76 HD22 LEU 76 -1.758 7.267 -5.513 1085 HD23 LEU 76 HD23 LEU 76 -2.671 6.882 -6.954 1086 H ASP 77 HN ASP 77 -2.544 10.005 -11.076 1087 HA ASP 77 HA ASP 77 -5.039 11.209 -11.500 1088 HB2 ASP 77 HB2 ASP 77 -3.033 12.274 -12.282 1089 HB3 ASP 77 HB1 ASP 77 -2.644 10.897 -13.299 1090 H GLU 78 HN GLU 78 -3.626 8.257 -12.809 1091 HA GLU 78 HA GLU 78 -5.853 7.973 -14.647 1092 HB2 GLU 78 HB2 GLU 78 -4.704 6.016 -15.502 1093 HB3 GLU 78 HB1 GLU 78 -3.608 7.386 -15.422 1094 HG2 GLU 78 HG2 GLU 78 -2.680 6.495 -13.348 1095 HG3 GLU 78 HG1 GLU 78 -3.714 5.084 -13.477 1096 H LEU 79 HN LEU 79 -5.417 7.341 -11.417 1097 HA LEU 79 HA LEU 79 -6.938 4.865 -11.488 1098 HB2 LEU 79 HB2 LEU 79 -6.040 6.479 -9.094 1099 HB3 LEU 79 HB1 LEU 79 -6.710 4.866 -9.059 1100 HG LEU 79 HG LEU 79 -4.008 5.704 -10.085 1101 HD11 LEU 79 HD11 LEU 79 -3.184 4.240 -8.327 1102 HD12 LEU 79 HD12 LEU 79 -4.842 3.917 -7.821 1103 HD13 LEU 79 HD13 LEU 79 -4.183 5.547 -7.683 1104 HD21 LEU 79 HD21 LEU 79 -4.885 3.979 -11.565 1105 HD22 LEU 79 HD22 LEU 79 -5.286 2.971 -10.174 1106 HD23 LEU 79 HD23 LEU 79 -3.599 3.326 -10.549 Start of MODEL 11 1 H MET 1 H MET 1 6.054 15.330 -6.871 2 HA MET 1 HA MET 1 5.174 12.767 -5.751 3 HB2 MET 1 HB2 MET 1 3.817 13.441 -7.737 4 HB3 MET 1 HB1 MET 1 5.300 13.621 -8.661 5 HG2 MET 1 HG2 MET 1 5.750 11.227 -8.372 6 HG3 MET 1 HG1 MET 1 4.248 11.060 -7.471 7 HE1 MET 1 HE1 MET 1 2.352 13.102 -9.222 8 HE2 MET 1 HE2 MET 1 1.818 11.551 -8.579 9 HE3 MET 1 HE3 MET 1 1.587 11.923 -10.285 10 H ALA 2 HN ALA 2 7.301 12.953 -4.714 11 HA ALA 2 HA ALA 2 9.636 12.856 -6.378 12 HB1 ALA 2 HB1 ALA 2 10.840 12.306 -4.300 13 HB2 ALA 2 HB2 ALA 2 9.299 12.083 -3.469 14 HB3 ALA 2 HB3 ALA 2 9.759 13.679 -4.060 15 H TYR 3 HN TYR 3 7.857 10.508 -4.468 16 HA TYR 3 HA TYR 3 9.118 8.324 -5.911 17 HB2 TYR 3 HB2 TYR 3 7.195 8.434 -3.586 18 HB3 TYR 3 HB1 TYR 3 7.613 6.928 -4.376 19 HD1 TYR 3 HD2 TYR 3 9.125 9.835 -2.563 20 HD2 TYR 3 HD1 TYR 3 9.510 5.731 -3.625 21 HE1 TYR 3 HE2 TYR 3 11.051 9.630 -1.048 22 HE2 TYR 3 HE1 TYR 3 11.435 5.514 -2.107 23 HH TYR 3 HH TYR 3 13.114 6.854 -0.985 24 H PHE 4 HN PHE 4 8.070 7.109 -7.364 25 HA PHE 4 HA PHE 4 5.549 8.146 -8.359 26 HB2 PHE 4 HB2 PHE 4 7.107 5.803 -9.517 27 HB3 PHE 4 HB1 PHE 4 5.922 6.818 -10.305 28 HD1 PHE 4 HD2 PHE 4 6.503 9.288 -10.649 29 HD2 PHE 4 HD1 PHE 4 9.369 6.299 -9.671 30 HE1 PHE 4 HE2 PHE 4 8.301 10.742 -11.480 31 HE2 PHE 4 HE1 PHE 4 11.171 7.735 -10.486 32 HZ PHE 4 HZ PHE 4 10.646 9.973 -11.400 33 H LEU 5 HN LEU 5 4.383 5.725 -9.320 34 HA LEU 5 HA LEU 5 3.780 4.428 -6.774 35 HB2 LEU 5 HB2 LEU 5 2.177 6.187 -7.227 36 HB3 LEU 5 HB1 LEU 5 1.882 5.539 -8.820 37 HG LEU 5 HG LEU 5 0.832 3.574 -7.838 38 HD11 LEU 5 HD11 LEU 5 2.045 3.508 -5.691 39 HD12 LEU 5 HD12 LEU 5 0.302 3.556 -5.427 40 HD13 LEU 5 HD13 LEU 5 1.265 5.016 -5.206 41 HD21 LEU 5 HD21 LEU 5 -0.525 5.458 -8.462 42 HD22 LEU 5 HD22 LEU 5 -0.188 6.243 -6.933 43 HD23 LEU 5 HD23 LEU 5 -1.161 4.782 -6.959 44 H ASP 6 HN ASP 6 3.269 2.286 -6.913 45 HA ASP 6 HA ASP 6 3.044 0.974 -9.508 46 HB2 ASP 6 HB2 ASP 6 5.310 0.632 -7.610 47 HB3 ASP 6 HB1 ASP 6 4.590 -0.852 -8.209 48 H PHE 7 HN PHE 7 2.059 -1.062 -9.335 49 HA PHE 7 HA PHE 7 0.982 -1.830 -6.705 50 HB2 PHE 7 HB2 PHE 7 -0.614 -1.197 -9.146 51 HB3 PHE 7 HB1 PHE 7 -1.199 -2.438 -8.063 52 HD1 PHE 7 HD2 PHE 7 -0.429 1.129 -8.421 53 HD2 PHE 7 HD1 PHE 7 -2.199 -1.859 -5.987 54 HE1 PHE 7 HE2 PHE 7 -1.524 2.865 -7.093 55 HE2 PHE 7 HE1 PHE 7 -3.311 -0.122 -4.649 56 HZ PHE 7 HZ PHE 7 -2.973 2.250 -5.201 57 H ASP 8 HN ASP 8 0.837 -3.948 -6.388 58 HA ASP 8 HA ASP 8 1.827 -5.859 -8.251 59 HB2 ASP 8 HB2 ASP 8 2.077 -6.665 -6.095 60 HB3 ASP 8 HB1 ASP 8 0.629 -5.863 -5.519 61 H GLU 9 HN GLU 9 0.637 -7.382 -9.517 62 HA GLU 9 HA GLU 9 -1.609 -6.435 -10.796 63 HB2 GLU 9 HB2 GLU 9 -0.701 -9.281 -10.564 64 HB3 GLU 9 HB1 GLU 9 -2.031 -8.779 -11.584 65 HG2 GLU 9 HG2 GLU 9 -0.396 -7.255 -12.739 66 HG3 GLU 9 HG1 GLU 9 0.872 -8.099 -11.844 67 H ARG 10 HN ARG 10 -1.476 -8.426 -7.936 68 HA ARG 10 HA ARG 10 -4.234 -9.211 -8.098 69 HB2 ARG 10 HB2 ARG 10 -2.543 -9.251 -5.597 70 HB3 ARG 10 HB1 ARG 10 -3.872 -10.322 -6.022 71 HG2 ARG 10 HG2 ARG 10 -2.502 -11.372 -7.747 72 HG3 ARG 10 HG1 ARG 10 -1.177 -10.268 -7.377 73 HD2 ARG 10 HD2 ARG 10 -1.300 -11.186 -5.005 74 HD3 ARG 10 HD1 ARG 10 -2.323 -12.454 -5.668 75 HE ARG 10 HE ARG 10 0.206 -12.048 -6.998 76 HH11 ARG 10 HH11 ARG 10 -1.563 -13.983 -4.564 77 HH12 ARG 10 HH12 ARG 10 -0.384 -15.206 -4.512 78 HH21 ARG 10 HH21 ARG 10 1.790 -13.777 -6.873 79 HH22 ARG 10 HH22 ARG 10 1.517 -15.126 -5.829 80 H ALA 11 HN ALA 11 -2.294 -6.865 -6.346 81 HA ALA 11 HA ALA 11 -4.264 -5.633 -4.794 82 HB1 ALA 11 HB1 ALA 11 -1.821 -4.330 -5.991 83 HB2 ALA 11 HB2 ALA 11 -1.859 -5.248 -4.490 84 HB3 ALA 11 HB3 ALA 11 -2.750 -3.730 -4.618 85 H LEU 12 HN LEU 12 -3.416 -5.113 -8.138 86 HA LEU 12 HA LEU 12 -4.887 -2.794 -8.798 87 HB2 LEU 12 HB2 LEU 12 -4.617 -5.323 -10.397 88 HB3 LEU 12 HB1 LEU 12 -5.123 -3.780 -11.058 89 HG LEU 12 HG LEU 12 -2.375 -4.441 -9.965 90 HD11 LEU 12 HD11 LEU 12 -1.680 -4.445 -12.283 91 HD12 LEU 12 HD12 LEU 12 -3.324 -4.075 -12.791 92 HD13 LEU 12 HD13 LEU 12 -2.971 -5.634 -12.058 93 HD21 LEU 12 HD21 LEU 12 -1.712 -2.339 -11.004 94 HD22 LEU 12 HD22 LEU 12 -2.937 -2.068 -9.766 95 HD23 LEU 12 HD23 LEU 12 -3.384 -2.032 -11.469 96 H LYS 13 HN LYS 13 -5.892 -6.134 -8.611 97 HA LYS 13 HA LYS 13 -8.599 -5.639 -9.473 98 HB2 LYS 13 HB2 LYS 13 -7.685 -8.118 -8.036 99 HB3 LYS 13 HB1 LYS 13 -8.884 -7.966 -9.312 100 HG2 LYS 13 HG2 LYS 13 -5.899 -7.693 -9.656 101 HG3 LYS 13 HG1 LYS 13 -6.863 -9.103 -10.066 102 HD2 LYS 13 HD2 LYS 13 -7.939 -7.961 -11.848 103 HD3 LYS 13 HD1 LYS 13 -7.324 -6.393 -11.303 104 HE2 LYS 13 HE2 LYS 13 -5.092 -6.997 -11.830 105 HE3 LYS 13 HE1 LYS 13 -5.538 -8.666 -12.170 106 HZ1 LYS 13 HZ1 LYS 13 -6.410 -6.302 -13.761 107 HZ2 LYS 13 HZ2 LYS 13 -6.731 -7.927 -14.098 108 HZ3 LYS 13 HZ3 LYS 13 -5.156 -7.364 -14.157 109 H GLU 14 HN GLU 14 -6.836 -5.430 -6.608 110 HA GLU 14 HA GLU 14 -8.936 -6.042 -4.832 111 HB2 GLU 14 HB2 GLU 14 -6.245 -4.916 -4.471 112 HB3 GLU 14 HB1 GLU 14 -7.393 -5.058 -3.151 113 HG2 GLU 14 HG2 GLU 14 -7.571 -7.526 -3.833 114 HG3 GLU 14 HG1 GLU 14 -6.164 -7.227 -4.846 115 H TRP 15 HN TRP 15 -7.784 -3.141 -6.248 116 HA TRP 15 HA TRP 15 -9.535 -1.700 -4.429 117 HB2 TRP 15 HB2 TRP 15 -8.856 0.417 -5.362 118 HB3 TRP 15 HB1 TRP 15 -7.402 -0.557 -5.297 119 HD1 TRP 15 HD1 TRP 15 -10.092 0.388 -7.981 120 HE1 TRP 15 HE1 TRP 15 -8.918 0.761 -10.209 121 HE3 TRP 15 HE3 TRP 15 -5.309 -0.716 -6.569 122 HZ2 TRP 15 HZ2 TRP 15 -6.327 0.649 -11.254 123 HZ3 TRP 15 HZ3 TRP 15 -3.542 -0.529 -8.262 124 HH2 TRP 15 HH2 TRP 15 -4.041 0.134 -10.551 125 H ARG 16 HN ARG 16 -9.668 -3.196 -7.353 126 HA ARG 16 HA ARG 16 -11.923 -1.768 -8.407 127 HB2 ARG 16 HB2 ARG 16 -10.708 -4.385 -9.273 128 HB3 ARG 16 HB1 ARG 16 -11.936 -3.491 -10.165 129 HG2 ARG 16 HG2 ARG 16 -10.356 -1.568 -10.304 130 HG3 ARG 16 HG1 ARG 16 -9.167 -2.551 -9.493 131 HD2 ARG 16 HD2 ARG 16 -8.890 -2.476 -11.931 132 HD3 ARG 16 HD1 ARG 16 -9.051 -4.110 -11.282 133 HE ARG 16 HE ARG 16 -11.590 -3.297 -11.990 134 HH11 ARG 16 HH11 ARG 16 -8.543 -3.685 -13.805 135 HH12 ARG 16 HH12 ARG 16 -9.346 -4.172 -15.220 136 HH21 ARG 16 HH21 ARG 16 -12.609 -3.969 -13.913 137 HH22 ARG 16 HH22 ARG 16 -11.666 -4.363 -15.296 138 H LYS 17 HN LYS 17 -11.511 -4.382 -6.295 139 HA LYS 17 HA LYS 17 -14.157 -5.524 -6.554 140 HB2 LYS 17 HB2 LYS 17 -13.556 -6.744 -4.496 141 HB3 LYS 17 HB1 LYS 17 -12.332 -6.915 -5.758 142 HG2 LYS 17 HG2 LYS 17 -10.814 -5.692 -4.674 143 HG3 LYS 17 HG1 LYS 17 -11.964 -4.677 -3.860 144 HD2 LYS 17 HD2 LYS 17 -10.876 -5.970 -2.231 145 HD3 LYS 17 HD1 LYS 17 -12.494 -6.602 -2.401 146 HE2 LYS 17 HE2 LYS 17 -11.686 -8.402 -3.830 147 HE3 LYS 17 HE1 LYS 17 -10.042 -7.761 -3.713 148 HZ1 LYS 17 HZ1 LYS 17 -10.106 -8.187 -1.330 149 HZ2 LYS 17 HZ2 LYS 17 -10.300 -9.597 -2.198 150 HZ3 LYS 17 HZ3 LYS 17 -11.651 -8.864 -1.464 151 H LEU 18 HN LEU 18 -12.765 -2.859 -4.877 152 HA LEU 18 HA LEU 18 -14.900 -2.981 -2.941 153 HB2 LEU 18 HB2 LEU 18 -13.422 -1.599 -1.443 154 HB3 LEU 18 HB1 LEU 18 -12.874 -3.219 -1.824 155 HG LEU 18 HG LEU 18 -11.328 -2.196 -3.521 156 HD11 LEU 18 HD11 LEU 18 -10.652 0.114 -3.223 157 HD12 LEU 18 HD12 LEU 18 -11.965 0.348 -2.070 158 HD13 LEU 18 HD13 LEU 18 -12.330 -0.008 -3.760 159 HD21 LEU 18 HD21 LEU 18 -10.910 -1.524 -0.621 160 HD22 LEU 18 HD22 LEU 18 -9.672 -1.580 -1.887 161 HD23 LEU 18 HD23 LEU 18 -10.528 -3.050 -1.439 162 H GLY 19 HN GLY 19 -15.318 -0.623 -1.993 163 HA2 GLY 19 HA2 GLY 19 -16.533 0.770 -4.149 164 HA3 GLY 19 HA1 GLY 19 -16.548 1.236 -2.458 165 H SER 20 HN SER 20 -16.167 2.747 -4.939 166 HA SER 20 HA SER 20 -13.589 3.606 -5.416 167 HB2 SER 20 HB2 SER 20 -15.483 4.126 -6.846 168 HB3 SER 20 HB1 SER 20 -16.173 5.168 -5.601 169 HG SER 20 HG SER 20 -14.386 6.569 -5.863 170 H THR 21 HN THR 21 -15.952 4.721 -3.030 171 HA THR 21 HA THR 21 -14.707 7.030 -2.150 172 HB THR 21 HB THR 21 -16.239 5.113 -0.396 173 HG1 THR 21 HG1 THR 21 -17.068 6.863 -2.480 174 HG21 THR 21 HG21 THR 21 -17.049 7.203 0.644 175 HG22 THR 21 HG22 THR 21 -16.068 8.130 -0.494 176 HG23 THR 21 HG23 THR 21 -15.286 7.104 0.704 177 H VAL 22 HN VAL 22 -13.998 3.691 -1.413 178 HA VAL 22 HA VAL 22 -12.352 4.204 0.861 179 HB VAL 22 HB VAL 22 -12.650 1.776 -0.912 180 HG11 VAL 22 HG11 VAL 22 -10.458 1.745 0.180 181 HG12 VAL 22 HG12 VAL 22 -11.517 0.515 0.871 182 HG13 VAL 22 HG13 VAL 22 -11.227 2.020 1.743 183 HG21 VAL 22 HG21 VAL 22 -13.758 2.408 1.817 184 HG22 VAL 22 HG22 VAL 22 -13.926 0.866 0.980 185 HG23 VAL 22 HG23 VAL 22 -14.661 2.321 0.306 186 H ARG 23 HN ARG 23 -11.738 3.442 -2.539 187 HA ARG 23 HA ARG 23 -8.913 3.427 -2.178 188 HB2 ARG 23 HB2 ARG 23 -8.740 3.093 -4.583 189 HB3 ARG 23 HB1 ARG 23 -10.009 2.078 -3.909 190 HG2 ARG 23 HG2 ARG 23 -11.662 3.761 -4.665 191 HG3 ARG 23 HG1 ARG 23 -10.350 4.581 -5.512 192 HD2 ARG 23 HD2 ARG 23 -9.884 2.502 -6.749 193 HD3 ARG 23 HD1 ARG 23 -11.233 1.735 -5.920 194 HE ARG 23 HE ARG 23 -11.731 4.148 -7.460 195 HH11 ARG 23 HH11 ARG 23 -12.154 0.623 -7.128 196 HH12 ARG 23 HH12 ARG 23 -13.282 0.527 -8.384 197 HH21 ARG 23 HH21 ARG 23 -13.229 3.996 -9.164 198 HH22 ARG 23 HH22 ARG 23 -13.919 2.494 -9.599 199 H GLU 24 HN GLU 24 -11.178 5.904 -2.942 200 HA GLU 24 HA GLU 24 -9.294 7.758 -3.971 201 HB2 GLU 24 HB2 GLU 24 -11.992 8.231 -2.689 202 HB3 GLU 24 HB1 GLU 24 -11.054 9.458 -3.537 203 HG2 GLU 24 HG2 GLU 24 -11.208 8.157 -5.604 204 HG3 GLU 24 HG1 GLU 24 -12.086 6.910 -4.715 205 H GLN 25 HN GLN 25 -10.475 6.999 -0.750 206 HA GLN 25 HA GLN 25 -9.180 9.096 0.645 207 HB2 GLN 25 HB2 GLN 25 -9.825 6.284 1.569 208 HB3 GLN 25 HB1 GLN 25 -9.302 7.588 2.618 209 HG2 GLN 25 HG2 GLN 25 -11.350 8.830 2.059 210 HG3 GLN 25 HG1 GLN 25 -11.857 7.492 1.035 211 HE21 GLN 25 HE21 GLN 25 -12.578 5.629 1.954 212 HE22 GLN 25 HE22 GLN 25 -12.922 5.443 3.647 213 H LEU 26 HN LEU 26 -8.225 5.879 -0.323 214 HA LEU 26 HA LEU 26 -5.690 5.814 0.860 215 HB2 LEU 26 HB2 LEU 26 -6.719 4.403 -1.596 216 HB3 LEU 26 HB1 LEU 26 -5.195 4.031 -0.810 217 HG LEU 26 HG LEU 26 -7.909 3.755 0.493 218 HD11 LEU 26 HD11 LEU 26 -7.608 2.134 -1.317 219 HD12 LEU 26 HD12 LEU 26 -7.569 1.360 0.263 220 HD13 LEU 26 HD13 LEU 26 -6.070 1.644 -0.611 221 HD21 LEU 26 HD21 LEU 26 -6.665 2.511 2.212 222 HD22 LEU 26 HD22 LEU 26 -6.139 4.188 2.104 223 HD23 LEU 26 HD23 LEU 26 -5.154 2.910 1.392 224 H LYS 27 HN LYS 27 -6.732 6.992 -2.298 225 HA LYS 27 HA LYS 27 -4.206 7.571 -3.360 226 HB2 LYS 27 HB2 LYS 27 -6.855 8.958 -3.845 227 HB3 LYS 27 HB1 LYS 27 -5.390 9.323 -4.741 228 HG2 LYS 27 HG2 LYS 27 -5.327 7.019 -5.582 229 HG3 LYS 27 HG1 LYS 27 -6.784 6.648 -4.666 230 HD2 LYS 27 HD2 LYS 27 -7.253 7.089 -7.059 231 HD3 LYS 27 HD1 LYS 27 -8.069 8.241 -5.999 232 HE2 LYS 27 HE2 LYS 27 -6.377 9.911 -6.486 233 HE3 LYS 27 HE1 LYS 27 -5.459 8.746 -7.438 234 HZ1 LYS 27 HZ1 LYS 27 -7.273 8.679 -9.033 235 HZ2 LYS 27 HZ2 LYS 27 -6.722 10.244 -8.811 236 HZ3 LYS 27 HZ3 LYS 27 -8.176 9.778 -8.111 237 H LYS 28 HN LYS 28 -6.215 9.424 -1.178 238 HA LYS 28 HA LYS 28 -4.691 11.829 -1.217 239 HB2 LYS 28 HB2 LYS 28 -6.758 10.674 0.602 240 HB3 LYS 28 HB1 LYS 28 -5.798 12.008 1.187 241 HG2 LYS 28 HG2 LYS 28 -7.996 12.702 0.324 242 HG3 LYS 28 HG1 LYS 28 -6.676 13.468 -0.532 243 HD2 LYS 28 HD2 LYS 28 -8.058 11.020 -1.608 244 HD3 LYS 28 HD1 LYS 28 -8.731 12.629 -1.848 245 HE2 LYS 28 HE2 LYS 28 -6.010 11.661 -2.768 246 HE3 LYS 28 HE1 LYS 28 -7.417 11.919 -3.785 247 HZ1 LYS 28 HZ1 LYS 28 -5.968 14.056 -2.286 248 HZ2 LYS 28 HZ2 LYS 28 -7.351 14.263 -3.231 249 HZ3 LYS 28 HZ3 LYS 28 -5.924 13.785 -3.952 250 H LYS 29 HN LYS 29 -4.508 8.922 0.743 251 HA LYS 29 HA LYS 29 -2.540 10.139 2.416 252 HB2 LYS 29 HB2 LYS 29 -3.195 7.187 2.283 253 HB3 LYS 29 HB1 LYS 29 -2.339 8.012 3.570 254 HG2 LYS 29 HG2 LYS 29 -5.278 8.094 2.910 255 HG3 LYS 29 HG1 LYS 29 -4.501 7.636 4.419 256 HD2 LYS 29 HD2 LYS 29 -4.705 10.433 3.266 257 HD3 LYS 29 HD1 LYS 29 -5.615 9.805 4.629 258 HE2 LYS 29 HE2 LYS 29 -2.613 10.097 4.564 259 HE3 LYS 29 HE1 LYS 29 -3.715 11.294 5.232 260 HZ1 LYS 29 HZ1 LYS 29 -3.473 8.495 6.225 261 HZ2 LYS 29 HZ2 LYS 29 -4.371 9.739 6.925 262 HZ3 LYS 29 HZ3 LYS 29 -2.696 9.835 6.870 263 H LEU 30 HN LEU 30 -2.521 8.167 -0.421 264 HA LEU 30 HA LEU 30 0.224 7.509 -0.307 265 HB2 LEU 30 HB2 LEU 30 -1.666 7.598 -2.650 266 HB3 LEU 30 HB1 LEU 30 -0.022 7.001 -2.743 267 HG LEU 30 HG LEU 30 -2.238 5.794 -1.082 268 HD11 LEU 30 HD11 LEU 30 -2.582 5.460 -3.466 269 HD12 LEU 30 HD12 LEU 30 -2.121 3.950 -2.686 270 HD13 LEU 30 HD13 LEU 30 -0.937 4.850 -3.633 271 HD21 LEU 30 HD21 LEU 30 -0.651 3.942 -0.737 272 HD22 LEU 30 HD22 LEU 30 -0.065 5.446 -0.035 273 HD23 LEU 30 HD23 LEU 30 0.598 4.870 -1.568 274 H VAL 31 HN VAL 31 -1.561 10.211 -1.722 275 HA VAL 31 HA VAL 31 0.592 11.178 -3.234 276 HB VAL 31 HB VAL 31 -1.788 11.938 -3.569 277 HG11 VAL 31 HG11 VAL 31 -2.630 13.849 -2.325 278 HG12 VAL 31 HG12 VAL 31 -1.259 13.720 -1.224 279 HG13 VAL 31 HG13 VAL 31 -2.440 12.415 -1.317 280 HG21 VAL 31 HG21 VAL 31 0.272 14.123 -3.325 281 HG22 VAL 31 HG22 VAL 31 -1.231 14.245 -4.237 282 HG23 VAL 31 HG23 VAL 31 0.004 13.082 -4.722 283 H GLU 32 HN GLU 32 -0.198 11.696 0.154 284 HA GLU 32 HA GLU 32 1.880 13.655 0.364 285 HB2 GLU 32 HB2 GLU 32 1.578 13.571 2.800 286 HB3 GLU 32 HB1 GLU 32 0.054 13.765 1.958 287 HG2 GLU 32 HG2 GLU 32 -0.534 11.495 2.362 288 HG3 GLU 32 HG1 GLU 32 1.072 11.143 2.996 289 H VAL 33 HN VAL 33 1.816 10.160 0.688 290 HA VAL 33 HA VAL 33 4.375 10.097 2.024 291 HB VAL 33 HB VAL 33 4.305 7.781 2.081 292 HG11 VAL 33 HG11 VAL 33 2.056 7.167 2.718 293 HG12 VAL 33 HG12 VAL 33 1.567 8.699 1.940 294 HG13 VAL 33 HG13 VAL 33 2.606 8.742 3.374 295 HG21 VAL 33 HG21 VAL 33 2.904 6.321 0.686 296 HG22 VAL 33 HG22 VAL 33 4.074 7.232 -0.258 297 HG23 VAL 33 HG23 VAL 33 2.375 7.730 -0.249 298 H LEU 34 HN LEU 34 3.308 10.332 -1.101 299 HA LEU 34 HA LEU 34 5.477 9.182 -2.352 300 HB2 LEU 34 HB2 LEU 34 3.859 11.503 -3.403 301 HB3 LEU 34 HB1 LEU 34 5.020 10.622 -4.371 302 HG LEU 34 HG LEU 34 2.432 9.563 -3.234 303 HD11 LEU 34 HD11 LEU 34 1.781 9.340 -5.549 304 HD12 LEU 34 HD12 LEU 34 3.352 9.948 -6.049 305 HD13 LEU 34 HD13 LEU 34 2.225 11.020 -5.204 306 HD21 LEU 34 HD21 LEU 34 2.947 7.496 -4.452 307 HD22 LEU 34 HD22 LEU 34 4.106 7.814 -3.161 308 HD23 LEU 34 HD23 LEU 34 4.545 8.132 -4.842 309 H GLU 35 HN GLU 35 5.236 12.149 -0.708 310 HA GLU 35 HA GLU 35 7.857 13.046 -1.585 311 HB2 GLU 35 HB2 GLU 35 5.631 14.281 -0.048 312 HB3 GLU 35 HB1 GLU 35 7.262 14.829 0.297 313 HG2 GLU 35 HG2 GLU 35 6.085 16.250 -1.335 314 HG3 GLU 35 HG1 GLU 35 7.560 15.547 -1.977 315 H SER 36 HN SER 36 6.274 11.636 1.219 316 HA SER 36 HA SER 36 8.873 11.020 2.345 317 HB2 SER 36 HB2 SER 36 6.777 12.477 3.988 318 HB3 SER 36 HB1 SER 36 8.357 11.932 4.552 319 HG SER 36 HG SER 36 8.985 13.302 2.544 320 HA PRO 37 HA PRO 37 5.943 7.577 3.088 321 HB2 PRO 37 HB2 PRO 37 7.174 5.670 1.751 322 HB3 PRO 37 HB1 PRO 37 6.308 6.950 0.896 323 HG2 PRO 37 HG2 PRO 37 9.236 6.567 1.251 324 HG3 PRO 37 HG1 PRO 37 8.354 7.272 -0.110 325 HD2 PRO 37 HD2 PRO 37 9.646 8.665 1.992 326 HD3 PRO 37 HD1 PRO 37 8.589 9.355 0.755 327 H ARG 38 HN ARG 38 8.875 8.270 4.427 328 HA ARG 38 HA ARG 38 9.178 5.593 5.494 329 HB2 ARG 38 HB2 ARG 38 11.032 7.959 5.796 330 HB3 ARG 38 HB1 ARG 38 11.304 6.375 6.509 331 HG2 ARG 38 HG2 ARG 38 11.366 5.368 4.286 332 HG3 ARG 38 HG1 ARG 38 11.087 6.950 3.561 333 HD2 ARG 38 HD2 ARG 38 13.176 7.758 4.575 334 HD3 ARG 38 HD1 ARG 38 13.448 6.152 5.248 335 HE ARG 38 HE ARG 38 13.196 5.614 2.649 336 HH11 ARG 38 HH11 ARG 38 15.208 7.934 4.390 337 HH12 ARG 38 HH12 ARG 38 16.399 8.038 3.189 338 HH21 ARG 38 HH21 ARG 38 14.856 5.717 1.003 339 HH22 ARG 38 HH22 ARG 38 16.178 6.761 1.198 340 H ILE 39 HN ILE 39 7.164 5.884 6.442 341 HA ILE 39 HA ILE 39 7.062 7.425 8.917 342 HB ILE 39 HB ILE 39 4.917 5.534 7.901 343 HG12 ILE 39 HG12 ILE 39 5.219 8.452 7.082 344 HG13 ILE 39 HG11 ILE 39 5.548 7.084 6.032 345 HG21 ILE 39 HG21 ILE 39 3.426 7.086 9.101 346 HG22 ILE 39 HG22 ILE 39 4.820 8.071 9.542 347 HG23 ILE 39 HG23 ILE 39 4.672 6.430 10.167 348 HD11 ILE 39 HD11 ILE 39 3.221 6.416 6.158 349 HD12 ILE 39 HD12 ILE 39 3.405 8.065 5.562 350 HD13 ILE 39 HD13 ILE 39 2.881 7.781 7.227 351 H GLU 40 HN GLU 40 8.535 6.314 10.160 352 HA GLU 40 HA GLU 40 9.038 3.583 10.091 353 HB2 GLU 40 HB2 GLU 40 10.362 3.882 12.096 354 HB3 GLU 40 HB1 GLU 40 10.645 5.154 10.922 355 HG2 GLU 40 HG2 GLU 40 9.197 6.647 12.195 356 HG3 GLU 40 HG1 GLU 40 8.957 5.376 13.396 357 H ALA 41 HN ALA 41 6.709 5.254 11.949 358 HA ALA 41 HA ALA 41 6.196 3.211 13.865 359 HB1 ALA 41 HB1 ALA 41 4.189 4.480 14.419 360 HB2 ALA 41 HB2 ALA 41 4.385 5.451 12.961 361 HB3 ALA 41 HB3 ALA 41 5.581 5.551 14.255 362 H ASN 42 HN ASN 42 5.386 3.559 10.569 363 HA ASN 42 HA ASN 42 3.284 1.575 10.908 364 HB2 ASN 42 HB2 ASN 42 3.662 3.596 8.716 365 HB3 ASN 42 HB1 ASN 42 2.609 2.200 8.521 366 HD21 ASN 42 HD21 ASN 42 3.011 5.264 10.044 367 HD22 ASN 42 HD22 ASN 42 1.437 5.326 10.754 368 H LYS 43 HN LYS 43 6.374 1.587 10.410 369 HA LYS 43 HA LYS 43 6.712 -0.209 8.238 370 HB2 LYS 43 HB2 LYS 43 8.291 0.427 10.702 371 HB3 LYS 43 HB1 LYS 43 8.819 -0.896 9.657 372 HG2 LYS 43 HG2 LYS 43 9.093 0.759 7.839 373 HG3 LYS 43 HG1 LYS 43 8.562 2.037 8.937 374 HD2 LYS 43 HD2 LYS 43 10.437 1.476 10.449 375 HD3 LYS 43 HD1 LYS 43 10.956 0.238 9.316 376 HE2 LYS 43 HE2 LYS 43 10.843 3.202 8.690 377 HE3 LYS 43 HE1 LYS 43 12.286 2.347 9.221 378 HZ1 LYS 43 HZ1 LYS 43 12.467 2.459 6.905 379 HZ2 LYS 43 HZ2 LYS 43 10.864 2.164 6.653 380 HZ3 LYS 43 HZ3 LYS 43 11.864 0.899 7.134 381 H LEU 44 HN LEU 44 6.338 -2.350 8.143 382 HA LEU 44 HA LEU 44 4.638 -3.538 10.041 383 HB2 LEU 44 HB2 LEU 44 6.089 -4.597 7.676 384 HB3 LEU 44 HB1 LEU 44 4.961 -5.570 8.610 385 HG LEU 44 HG LEU 44 4.347 -3.110 6.972 386 HD11 LEU 44 HD11 LEU 44 4.769 -5.129 5.671 387 HD12 LEU 44 HD12 LEU 44 3.068 -4.666 5.601 388 HD13 LEU 44 HD13 LEU 44 3.578 -6.002 6.634 389 HD21 LEU 44 HD21 LEU 44 2.931 -3.146 8.944 390 HD22 LEU 44 HD22 LEU 44 2.539 -4.840 8.654 391 HD23 LEU 44 HD23 LEU 44 2.000 -3.604 7.516 392 H ARG 45 HN ARG 45 5.029 -5.765 10.888 393 HA ARG 45 HA ARG 45 7.351 -5.643 12.549 394 HB2 ARG 45 HB2 ARG 45 5.266 -7.813 12.368 395 HB3 ARG 45 HB1 ARG 45 6.360 -7.497 13.700 396 HG2 ARG 45 HG2 ARG 45 4.007 -5.841 12.822 397 HG3 ARG 45 HG1 ARG 45 4.154 -6.772 14.307 398 HD2 ARG 45 HD2 ARG 45 5.698 -4.307 13.528 399 HD3 ARG 45 HD1 ARG 45 4.431 -4.437 14.747 400 HE ARG 45 HE ARG 45 6.329 -6.231 15.519 401 HH11 ARG 45 HH11 ARG 45 6.288 -2.731 14.980 402 HH12 ARG 45 HH12 ARG 45 7.546 -2.419 16.068 403 HH21 ARG 45 HH21 ARG 45 8.079 -5.797 16.952 404 HH22 ARG 45 HH22 ARG 45 8.640 -4.219 17.206 405 H GLY 46 HN GLY 46 9.148 -6.120 11.365 406 HA2 GLY 46 HA2 GLY 46 10.655 -7.906 10.836 407 HA3 GLY 46 HA1 GLY 46 9.278 -8.864 10.306 408 H MET 47 HN MET 47 8.424 -6.151 9.076 409 HA MET 47 HA MET 47 10.102 -6.332 6.669 410 HB2 MET 47 HB2 MET 47 7.104 -5.926 6.824 411 HB3 MET 47 HB1 MET 47 8.052 -5.590 5.383 412 HG2 MET 47 HG2 MET 47 7.800 -8.273 6.712 413 HG3 MET 47 HG1 MET 47 6.838 -7.726 5.342 414 HE1 MET 47 HE1 MET 47 7.416 -9.738 3.949 415 HE2 MET 47 HE2 MET 47 8.379 -10.420 5.254 416 HE3 MET 47 HE3 MET 47 9.049 -10.321 3.621 417 HA PRO 48 HA PRO 48 10.279 -2.132 8.354 418 HB2 PRO 48 HB2 PRO 48 12.862 -1.649 7.807 419 HB3 PRO 48 HB1 PRO 48 12.366 -2.632 9.190 420 HG2 PRO 48 HG2 PRO 48 13.440 -3.479 6.543 421 HG3 PRO 48 HG1 PRO 48 13.743 -4.168 8.143 422 HD2 PRO 48 HD2 PRO 48 11.974 -5.191 6.275 423 HD3 PRO 48 HD1 PRO 48 11.913 -5.528 8.016 424 H ASP 49 HN ASP 49 10.686 -3.336 5.199 425 HA ASP 49 HA ASP 49 10.980 -0.691 3.987 426 HB2 ASP 49 HB2 ASP 49 11.326 -1.880 1.912 427 HB3 ASP 49 HB1 ASP 49 12.358 -2.592 3.138 428 H CYS 50 HN CYS 50 8.650 -2.762 5.055 429 HA CYS 50 HA CYS 50 6.695 -1.886 3.072 430 HB2 CYS 50 HB2 CYS 50 6.548 -4.222 4.981 431 HB3 CYS 50 HB1 CYS 50 5.393 -3.833 3.711 432 HG CYS 50 HG CYS 50 8.655 -4.672 3.103 433 H TYR 51 HN TYR 51 4.858 -0.919 3.809 434 HA TYR 51 HA TYR 51 4.748 -0.195 6.639 435 HB2 TYR 51 HB2 TYR 51 4.335 1.664 4.284 436 HB3 TYR 51 HB1 TYR 51 4.083 2.066 5.975 437 HD1 TYR 51 HD1 TYR 51 6.753 0.906 3.643 438 HD2 TYR 51 HD2 TYR 51 5.782 3.072 7.151 439 HE1 TYR 51 HE1 TYR 51 9.069 1.682 3.795 440 HE2 TYR 51 HE2 TYR 51 8.099 3.847 7.306 441 HH TYR 51 HH TYR 51 10.331 3.404 4.753 442 H LYS 52 HN LYS 52 2.574 0.900 7.011 443 HA LYS 52 HA LYS 52 0.430 -0.407 5.507 444 HB2 LYS 52 HB2 LYS 52 -0.615 -1.014 7.670 445 HB3 LYS 52 HB1 LYS 52 0.934 -1.822 7.452 446 HG2 LYS 52 HG2 LYS 52 2.001 -0.057 8.840 447 HG3 LYS 52 HG1 LYS 52 0.397 0.621 9.081 448 HD2 LYS 52 HD2 LYS 52 1.270 -2.133 9.965 449 HD3 LYS 52 HD1 LYS 52 1.210 -0.717 11.006 450 HE2 LYS 52 HE2 LYS 52 -1.235 -0.556 10.455 451 HE3 LYS 52 HE1 LYS 52 -1.085 -2.128 9.670 452 HZ1 LYS 52 HZ1 LYS 52 -0.223 -2.981 11.872 453 HZ2 LYS 52 HZ2 LYS 52 -1.842 -2.477 11.863 454 HZ3 LYS 52 HZ3 LYS 52 -0.675 -1.494 12.533 455 H ILE 53 HN ILE 53 -1.372 0.823 5.372 456 HA ILE 53 HA ILE 53 -1.578 3.240 7.022 457 HB ILE 53 HB ILE 53 -2.574 3.027 4.158 458 HG12 ILE 53 HG12 ILE 53 -0.146 4.554 5.153 459 HG13 ILE 53 HG11 ILE 53 -0.092 3.043 4.247 460 HG21 ILE 53 HG21 ILE 53 -2.995 5.445 4.432 461 HG22 ILE 53 HG22 ILE 53 -2.279 5.342 6.058 462 HG23 ILE 53 HG23 ILE 53 -3.765 4.485 5.720 463 HD11 ILE 53 HD11 ILE 53 -1.237 5.643 3.237 464 HD12 ILE 53 HD12 ILE 53 -1.132 4.116 2.353 465 HD13 ILE 53 HD13 ILE 53 0.341 4.966 2.814 466 H LYS 54 HN LYS 54 -3.731 3.603 7.689 467 HA LYS 54 HA LYS 54 -5.677 1.566 6.890 468 HB2 LYS 54 HB2 LYS 54 -5.055 2.530 9.659 469 HB3 LYS 54 HB1 LYS 54 -6.398 1.463 9.248 470 HG2 LYS 54 HG2 LYS 54 -4.960 -0.299 8.691 471 HG3 LYS 54 HG1 LYS 54 -3.557 0.765 8.611 472 HD2 LYS 54 HD2 LYS 54 -3.420 -0.519 10.601 473 HD3 LYS 54 HD1 LYS 54 -3.791 1.177 10.962 474 HE2 LYS 54 HE2 LYS 54 -6.057 0.684 11.488 475 HE3 LYS 54 HE1 LYS 54 -5.949 -0.922 10.770 476 HZ1 LYS 54 HZ1 LYS 54 -4.555 -0.087 13.279 477 HZ2 LYS 54 HZ2 LYS 54 -4.486 -1.591 12.505 478 HZ3 LYS 54 HZ3 LYS 54 -5.935 -1.078 13.156 479 H LEU 55 HN LEU 55 -7.710 2.314 6.775 480 HA LEU 55 HA LEU 55 -8.054 5.192 6.813 481 HB2 LEU 55 HB2 LEU 55 -9.816 2.960 5.841 482 HB3 LEU 55 HB1 LEU 55 -10.213 4.666 5.692 483 HG LEU 55 HG LEU 55 -7.907 3.242 4.362 484 HD11 LEU 55 HD11 LEU 55 -10.463 4.358 3.224 485 HD12 LEU 55 HD12 LEU 55 -10.040 2.655 3.393 486 HD13 LEU 55 HD13 LEU 55 -9.125 3.680 2.298 487 HD21 LEU 55 HD21 LEU 55 -7.595 5.372 3.146 488 HD22 LEU 55 HD22 LEU 55 -7.289 5.527 4.874 489 HD23 LEU 55 HD23 LEU 55 -8.804 6.117 4.192 490 H ARG 56 HN ARG 56 -8.723 6.077 8.523 491 HA ARG 56 HA ARG 56 -9.244 4.837 10.911 492 HB2 ARG 56 HB2 ARG 56 -8.455 7.198 10.489 493 HB3 ARG 56 HB1 ARG 56 -10.127 7.617 10.174 494 HG2 ARG 56 HG2 ARG 56 -9.475 8.228 12.433 495 HG3 ARG 56 HG1 ARG 56 -10.710 6.970 12.457 496 HD2 ARG 56 HD2 ARG 56 -9.099 5.282 12.922 497 HD3 ARG 56 HD1 ARG 56 -7.768 6.395 12.633 498 HE ARG 56 HE ARG 56 -8.428 7.564 14.622 499 HH11 ARG 56 HH11 ARG 56 -9.991 4.433 14.258 500 HH12 ARG 56 HH12 ARG 56 -9.926 4.023 15.900 501 HH21 ARG 56 HH21 ARG 56 -8.316 7.050 16.875 502 HH22 ARG 56 HH22 ARG 56 -8.919 5.580 17.476 503 H SER 57 HN SER 57 -11.543 6.032 8.520 504 HA SER 57 HA SER 57 -13.688 5.085 10.274 505 HB2 SER 57 HB2 SER 57 -13.505 7.576 9.713 506 HB3 SER 57 HB1 SER 57 -13.923 7.134 8.063 507 HG SER 57 HG SER 57 -15.788 7.644 9.000 508 H SER 58 HN SER 58 -12.076 3.506 8.283 509 HA SER 58 HA SER 58 -14.418 2.530 6.839 510 HB2 SER 58 HB2 SER 58 -11.762 2.952 5.448 511 HB3 SER 58 HB1 SER 58 -13.216 2.266 4.728 512 HG SER 58 HG SER 58 -13.918 4.521 5.845 513 H GLY 59 HN GLY 59 -11.307 1.753 8.311 514 HA2 GLY 59 HA2 GLY 59 -10.795 -0.274 9.335 515 HA3 GLY 59 HA1 GLY 59 -12.235 -0.974 8.607 516 H TYR 60 HN TYR 60 -10.780 0.486 6.199 517 HA TYR 60 HA TYR 60 -9.551 -1.922 5.195 518 HB2 TYR 60 HB2 TYR 60 -10.156 0.754 3.981 519 HB3 TYR 60 HB1 TYR 60 -9.123 -0.403 3.148 520 HD1 TYR 60 HD1 TYR 60 -12.571 0.199 4.404 521 HD2 TYR 60 HD2 TYR 60 -10.046 -2.244 2.020 522 HE1 TYR 60 HE1 TYR 60 -14.556 -0.875 3.406 523 HE2 TYR 60 HE2 TYR 60 -12.013 -3.326 1.021 524 HH TYR 60 HH TYR 60 -15.046 -2.067 1.233 525 H ARG 61 HN ARG 61 -7.434 -1.697 4.075 526 HA ARG 61 HA ARG 61 -5.649 0.201 5.210 527 HB2 ARG 61 HB2 ARG 61 -4.050 -1.620 5.942 528 HB3 ARG 61 HB1 ARG 61 -5.465 -1.411 6.941 529 HG2 ARG 61 HG2 ARG 61 -4.984 -3.739 6.775 530 HG3 ARG 61 HG1 ARG 61 -6.457 -3.439 5.866 531 HD2 ARG 61 HD2 ARG 61 -5.192 -3.544 3.781 532 HD3 ARG 61 HD1 ARG 61 -3.690 -3.757 4.681 533 HE ARG 61 HE ARG 61 -5.125 -5.826 5.563 534 HH11 ARG 61 HH11 ARG 61 -4.672 -4.735 2.224 535 HH12 ARG 61 HH12 ARG 61 -4.670 -6.307 1.563 536 HH21 ARG 61 HH21 ARG 61 -5.128 -7.900 4.732 537 HH22 ARG 61 HH22 ARG 61 -4.999 -8.196 3.053 538 H LEU 62 HN LEU 62 -3.593 0.101 4.150 539 HA LEU 62 HA LEU 62 -3.523 -1.377 1.663 540 HB2 LEU 62 HB2 LEU 62 -4.329 0.889 1.132 541 HB3 LEU 62 HB1 LEU 62 -3.001 1.596 2.013 542 HG LEU 62 HG LEU 62 -2.512 -0.082 -0.452 543 HD11 LEU 62 HD11 LEU 62 -3.073 2.882 -0.323 544 HD12 LEU 62 HD12 LEU 62 -4.092 1.657 -1.091 545 HD13 LEU 62 HD13 LEU 62 -2.487 2.001 -1.734 546 HD21 LEU 62 HD21 LEU 62 -0.492 1.300 -0.610 547 HD22 LEU 62 HD22 LEU 62 -0.566 0.462 0.938 548 HD23 LEU 62 HD23 LEU 62 -0.972 2.177 0.844 549 H VAL 63 HN VAL 63 -1.628 -2.313 1.434 550 HA VAL 63 HA VAL 63 0.476 -1.691 3.402 551 HB VAL 63 HB VAL 63 0.245 -4.205 1.756 552 HG11 VAL 63 HG11 VAL 63 2.391 -3.826 2.782 553 HG12 VAL 63 HG12 VAL 63 1.583 -5.198 3.554 554 HG13 VAL 63 HG13 VAL 63 1.621 -3.631 4.357 555 HG21 VAL 63 HG21 VAL 63 -1.019 -3.721 4.444 556 HG22 VAL 63 HG22 VAL 63 -0.768 -5.305 3.722 557 HG23 VAL 63 HG23 VAL 63 -1.837 -4.137 2.927 558 H TYR 64 HN TYR 64 2.430 -1.080 2.509 559 HA TYR 64 HA TYR 64 2.756 -1.539 -0.331 560 HB2 TYR 64 HB2 TYR 64 3.400 0.769 -0.829 561 HB3 TYR 64 HB1 TYR 64 1.753 0.688 -0.239 562 HD1 TYR 64 HD2 TYR 64 1.231 1.559 2.051 563 HD2 TYR 64 HD1 TYR 64 5.084 2.010 0.315 564 HE1 TYR 64 HE2 TYR 64 1.760 3.347 3.663 565 HE2 TYR 64 HE1 TYR 64 5.604 3.791 1.912 566 HH TYR 64 HH TYR 64 4.410 5.409 3.340 567 H GLN 65 HN GLN 65 4.971 -0.664 -0.989 568 HA GLN 65 HA GLN 65 6.948 -1.224 1.077 569 HB2 GLN 65 HB2 GLN 65 6.693 -3.231 -0.147 570 HB3 GLN 65 HB1 GLN 65 6.657 -2.388 -1.682 571 HG2 GLN 65 HG2 GLN 65 9.019 -1.855 -1.483 572 HG3 GLN 65 HG1 GLN 65 9.071 -2.592 0.118 573 HE21 GLN 65 HE21 GLN 65 7.402 -4.699 -0.507 574 HE22 GLN 65 HE22 GLN 65 8.256 -5.845 -1.494 575 H VAL 66 HN VAL 66 8.677 0.023 0.918 576 HA VAL 66 HA VAL 66 8.487 2.160 -1.093 577 HB VAL 66 HB VAL 66 9.949 2.265 1.572 578 HG11 VAL 66 HG11 VAL 66 11.049 3.641 -0.159 579 HG12 VAL 66 HG12 VAL 66 10.284 4.637 1.083 580 HG13 VAL 66 HG13 VAL 66 9.507 4.439 -0.485 581 HG21 VAL 66 HG21 VAL 66 7.453 3.648 0.627 582 HG22 VAL 66 HG22 VAL 66 8.238 3.866 2.198 583 HG23 VAL 66 HG23 VAL 66 7.523 2.311 1.776 584 H ILE 67 HN ILE 67 9.569 1.436 -2.745 585 HA ILE 67 HA ILE 67 12.175 0.183 -2.383 586 HB ILE 67 HB ILE 67 10.710 0.767 -4.971 587 HG12 ILE 67 HG12 ILE 67 10.698 -1.793 -3.336 588 HG13 ILE 67 HG11 ILE 67 9.337 -0.694 -3.522 589 HG21 ILE 67 HG21 ILE 67 12.933 -1.168 -4.295 590 HG22 ILE 67 HG22 ILE 67 13.127 0.350 -5.156 591 HG23 ILE 67 HG23 ILE 67 12.200 -0.968 -5.885 592 HD11 ILE 67 HD11 ILE 67 10.633 -2.299 -5.719 593 HD12 ILE 67 HD12 ILE 67 9.267 -1.204 -5.915 594 HD13 ILE 67 HD13 ILE 67 9.096 -2.660 -4.933 595 H ASP 68 HN ASP 68 13.880 1.511 -2.313 596 HA ASP 68 HA ASP 68 13.543 4.246 -3.123 597 HB2 ASP 68 HB2 ASP 68 15.543 2.822 -1.505 598 HB3 ASP 68 HB1 ASP 68 16.124 4.217 -2.407 599 H GLU 69 HN GLU 69 15.147 1.482 -4.424 600 HA GLU 69 HA GLU 69 16.726 3.072 -6.200 601 HB2 GLU 69 HB2 GLU 69 17.360 0.970 -7.311 602 HB3 GLU 69 HB1 GLU 69 17.539 0.895 -5.571 603 HG2 GLU 69 HG2 GLU 69 15.581 -0.449 -5.359 604 HG3 GLU 69 HG1 GLU 69 15.213 -0.230 -7.069 605 H LYS 70 HN LYS 70 13.688 1.417 -6.517 606 HA LYS 70 HA LYS 70 13.328 2.189 -9.315 607 HB2 LYS 70 HB2 LYS 70 11.402 0.988 -7.311 608 HB3 LYS 70 HB1 LYS 70 11.080 1.169 -9.030 609 HG2 LYS 70 HG2 LYS 70 13.380 -0.453 -7.992 610 HG3 LYS 70 HG1 LYS 70 11.768 -1.137 -8.154 611 HD2 LYS 70 HD2 LYS 70 13.290 0.143 -10.428 612 HD3 LYS 70 HD1 LYS 70 13.330 -1.589 -10.078 613 HE2 LYS 70 HE2 LYS 70 10.831 -1.593 -10.288 614 HE3 LYS 70 HE1 LYS 70 10.932 0.076 -10.848 615 HZ1 LYS 70 HZ1 LYS 70 12.256 -2.230 -12.156 616 HZ2 LYS 70 HZ2 LYS 70 12.191 -0.641 -12.753 617 HZ3 LYS 70 HZ3 LYS 70 10.799 -1.560 -12.647 618 H VAL 71 HN VAL 71 12.747 3.326 -6.190 619 HA VAL 71 HA VAL 71 11.983 5.165 -5.225 620 HB VAL 71 HB VAL 71 11.712 6.566 -7.894 621 HG11 VAL 71 HG11 VAL 71 12.555 7.558 -5.186 622 HG12 VAL 71 HG12 VAL 71 10.948 7.683 -5.873 623 HG13 VAL 71 HG13 VAL 71 12.297 8.557 -6.626 624 HG21 VAL 71 HG21 VAL 71 13.874 5.489 -7.951 625 HG22 VAL 71 HG22 VAL 71 14.288 6.193 -6.379 626 HG23 VAL 71 HG23 VAL 71 14.033 7.239 -7.790 627 H VAL 72 HN VAL 72 10.158 3.451 -5.260 628 HA VAL 72 HA VAL 72 7.771 4.817 -6.215 629 HB VAL 72 HB VAL 72 6.786 2.767 -7.122 630 HG11 VAL 72 HG11 VAL 72 7.842 4.386 -8.588 631 HG12 VAL 72 HG12 VAL 72 7.892 2.749 -9.229 632 HG13 VAL 72 HG13 VAL 72 9.348 3.469 -8.518 633 HG21 VAL 72 HG21 VAL 72 8.218 0.845 -7.706 634 HG22 VAL 72 HG22 VAL 72 8.078 1.089 -5.961 635 HG23 VAL 72 HG23 VAL 72 9.537 1.603 -6.807 636 H VAL 73 HN VAL 73 5.909 4.238 -5.269 637 HA VAL 73 HA VAL 73 6.080 2.762 -2.782 638 HB VAL 73 HB VAL 73 3.886 4.529 -3.948 639 HG11 VAL 73 HG11 VAL 73 2.919 2.761 -2.561 640 HG12 VAL 73 HG12 VAL 73 2.774 4.333 -1.775 641 HG13 VAL 73 HG13 VAL 73 4.009 3.191 -1.243 642 HG21 VAL 73 HG21 VAL 73 5.794 4.975 -1.663 643 HG22 VAL 73 HG22 VAL 73 4.463 6.042 -2.110 644 HG23 VAL 73 HG23 VAL 73 5.807 5.789 -3.230 645 H PHE 74 HN PHE 74 6.084 0.747 -3.396 646 HA PHE 74 HA PHE 74 4.338 -0.239 -5.489 647 HB2 PHE 74 HB2 PHE 74 6.602 -1.002 -5.619 648 HB3 PHE 74 HB1 PHE 74 6.621 -1.455 -3.926 649 HD1 PHE 74 HD1 PHE 74 4.168 -2.291 -6.635 650 HD2 PHE 74 HD2 PHE 74 7.104 -3.702 -3.887 651 HE1 PHE 74 HE1 PHE 74 3.655 -4.602 -7.273 652 HE2 PHE 74 HE2 PHE 74 6.594 -6.020 -4.515 653 HZ PHE 74 HZ PHE 74 4.865 -6.476 -6.214 654 H VAL 75 HN VAL 75 2.363 -0.341 -4.741 655 HA VAL 75 HA VAL 75 1.693 -1.166 -2.112 656 HB VAL 75 HB VAL 75 -0.109 -0.883 -4.521 657 HG11 VAL 75 HG11 VAL 75 -1.904 -0.608 -2.855 658 HG12 VAL 75 HG12 VAL 75 -0.742 -0.937 -1.571 659 HG13 VAL 75 HG13 VAL 75 -1.136 -2.190 -2.746 660 HG21 VAL 75 HG21 VAL 75 0.623 1.130 -2.387 661 HG22 VAL 75 HG22 VAL 75 -0.632 1.351 -3.609 662 HG23 VAL 75 HG23 VAL 75 1.054 1.195 -4.098 663 H ILE 76 HN ILE 76 1.406 -3.051 -1.397 664 HA ILE 76 HA ILE 76 1.767 -5.392 -3.047 665 HB ILE 76 HB ILE 76 1.431 -5.098 -0.063 666 HG12 ILE 76 HG12 ILE 76 3.440 -3.939 -0.843 667 HG13 ILE 76 HG11 ILE 76 3.872 -5.373 0.076 668 HG21 ILE 76 HG21 ILE 76 2.406 -7.466 -1.657 669 HG22 ILE 76 HG22 ILE 76 0.850 -7.323 -0.837 670 HG23 ILE 76 HG23 ILE 76 2.343 -7.333 0.107 671 HD11 ILE 76 HD11 ILE 76 5.308 -5.125 -1.849 672 HD12 ILE 76 HD12 ILE 76 3.912 -5.079 -2.923 673 HD13 ILE 76 HD13 ILE 76 4.299 -6.560 -2.047 674 H SER 77 HN SER 77 -0.684 -4.058 -0.798 675 HA SER 77 HA SER 77 -2.720 -5.589 -2.130 676 HB2 SER 77 HB2 SER 77 -1.872 -7.248 -0.522 677 HB3 SER 77 HB1 SER 77 -2.103 -6.103 0.795 678 HG SER 77 HG SER 77 -4.207 -6.948 -0.905 679 H VAL 78 HN VAL 78 -4.727 -4.871 -1.743 680 HA VAL 78 HA VAL 78 -5.103 -2.456 -0.085 681 HB VAL 78 HB VAL 78 -6.340 -2.991 -2.814 682 HG11 VAL 78 HG11 VAL 78 -7.225 -0.733 -2.662 683 HG12 VAL 78 HG12 VAL 78 -6.476 -0.544 -1.076 684 HG13 VAL 78 HG13 VAL 78 -7.768 -1.722 -1.300 685 HG21 VAL 78 HG21 VAL 78 -3.982 -2.431 -3.075 686 HG22 VAL 78 HG22 VAL 78 -4.206 -0.990 -2.079 687 HG23 VAL 78 HG23 VAL 78 -5.009 -1.116 -3.645 688 H GLY 79 HN GLY 79 -6.718 -2.917 1.413 689 HA2 GLY 79 HA2 GLY 79 -9.212 -3.752 0.986 690 HA3 GLY 79 HA1 GLY 79 -8.344 -5.292 1.005 691 H LYS 80 HN LYS 80 -9.839 -5.563 2.918 692 HA LYS 80 HA LYS 80 -9.100 -3.983 5.246 693 HB2 LYS 80 HB2 LYS 80 -11.151 -6.159 4.876 694 HB3 LYS 80 HB1 LYS 80 -10.795 -5.400 6.423 695 HG2 LYS 80 HG2 LYS 80 -11.479 -3.242 5.530 696 HG3 LYS 80 HG1 LYS 80 -11.806 -3.985 3.969 697 HD2 LYS 80 HD2 LYS 80 -13.845 -3.632 5.273 698 HD3 LYS 80 HD1 LYS 80 -13.569 -5.348 4.957 699 HE2 LYS 80 HE2 LYS 80 -12.689 -5.627 7.227 700 HE3 LYS 80 HE1 LYS 80 -12.887 -3.902 7.527 701 HZ1 LYS 80 HZ1 LYS 80 -15.264 -4.169 7.291 702 HZ2 LYS 80 HZ2 LYS 80 -14.664 -5.212 8.476 703 HZ3 LYS 80 HZ3 LYS 80 -15.088 -5.823 6.968 704 H ALA 81 HN ALA 81 -8.338 -4.867 7.177 705 HA ALA 81 HA ALA 81 -6.829 -7.349 6.867 706 HB1 ALA 81 HB1 ALA 81 -5.771 -6.638 9.011 707 HB2 ALA 81 HB2 ALA 81 -6.759 -5.173 8.979 708 HB3 ALA 81 HB3 ALA 81 -5.549 -5.454 7.727 709 H GLU 82 HN GLU 82 -7.418 -9.110 8.136 710 HA GLU 82 HA GLU 82 -9.941 -8.627 9.565 711 HB2 GLU 82 HB2 GLU 82 -10.769 -10.740 8.768 712 HB3 GLU 82 HB1 GLU 82 -10.332 -9.691 7.425 713 HG2 GLU 82 HG2 GLU 82 -8.194 -10.898 7.237 714 HG3 GLU 82 HG1 GLU 82 -8.739 -11.988 8.505 715 H ALA 83 HN ALA 83 -10.541 -10.574 10.850 716 HA ALA 83 HA ALA 83 -8.233 -11.701 12.301 717 HB1 ALA 83 HB1 ALA 83 -11.008 -11.116 13.175 718 HB2 ALA 83 HB2 ALA 83 -9.584 -10.144 13.600 719 HB3 ALA 83 HB3 ALA 83 -9.757 -11.816 14.198 720 H SER 84 HN SER 84 -10.983 -12.254 10.388 721 HA SER 84 HA SER 84 -12.063 -14.581 11.436 722 HB2 SER 84 HB2 SER 84 -12.142 -13.633 8.586 723 HB3 SER 84 HB1 SER 84 -13.367 -14.552 9.465 724 HG SER 84 HG SER 84 -13.882 -12.810 10.638 725 H GLU 85 HN GLU 85 -10.304 -14.270 8.366 726 HA GLU 85 HA GLU 85 -9.821 -17.148 8.466 727 HB2 GLU 85 HB2 GLU 85 -10.841 -16.167 6.424 728 HB3 GLU 85 HB1 GLU 85 -9.376 -15.238 6.156 729 HG2 GLU 85 HG2 GLU 85 -8.116 -17.270 5.799 730 HG3 GLU 85 HG1 GLU 85 -9.525 -18.247 6.188 731 H VAL 86 HN VAL 86 -8.194 -14.412 9.316 732 HA VAL 86 HA VAL 86 -5.575 -15.341 8.610 733 HB VAL 86 HB VAL 86 -6.181 -12.893 9.131 734 HG11 VAL 86 HG11 VAL 86 -5.920 -13.809 11.974 735 HG12 VAL 86 HG12 VAL 86 -7.381 -13.229 11.181 736 HG13 VAL 86 HG13 VAL 86 -6.019 -12.130 11.433 737 HG21 VAL 86 HG21 VAL 86 -3.775 -14.092 10.481 738 HG22 VAL 86 HG22 VAL 86 -3.985 -12.376 10.133 739 HG23 VAL 86 HG23 VAL 86 -3.883 -13.538 8.811 740 H TYR 87 HN TYR 87 -7.860 -15.923 11.076 741 HA TYR 87 HA TYR 87 -6.126 -17.036 13.051 742 HB2 TYR 87 HB2 TYR 87 -8.404 -16.125 13.544 743 HB3 TYR 87 HB1 TYR 87 -9.104 -17.444 12.626 744 HD1 TYR 87 HD1 TYR 87 -7.430 -16.501 15.736 745 HD2 TYR 87 HD2 TYR 87 -9.198 -19.702 13.564 746 HE1 TYR 87 HE1 TYR 87 -7.480 -17.849 17.785 747 HE2 TYR 87 HE2 TYR 87 -9.253 -21.070 15.619 748 HH TYR 87 HH TYR 87 -8.031 -21.177 17.783 749 H SER 88 HN SER 88 -7.531 -18.091 10.121 750 HA SER 88 HA SER 88 -7.773 -20.827 10.594 751 HB2 SER 88 HB2 SER 88 -7.408 -19.375 7.983 752 HB3 SER 88 HB1 SER 88 -8.102 -20.987 8.206 753 HG SER 88 HG SER 88 -9.710 -19.942 9.545 754 H GLU 89 HN GLU 89 -4.961 -18.990 10.330 755 HA GLU 89 HA GLU 89 -3.309 -20.869 8.977 756 HB2 GLU 89 HB2 GLU 89 -1.448 -19.514 9.707 757 HB3 GLU 89 HB1 GLU 89 -2.753 -18.468 9.191 758 HG2 GLU 89 HG2 GLU 89 -3.346 -18.038 11.510 759 HG3 GLU 89 HG1 GLU 89 -2.068 -19.130 12.043 760 H ALA 90 HN ALA 90 -4.535 -20.559 12.150 761 HA ALA 90 HA ALA 90 -2.655 -22.475 13.263 762 HB1 ALA 90 HB1 ALA 90 -3.401 -20.616 14.688 763 HB2 ALA 90 HB2 ALA 90 -3.919 -22.162 15.355 764 HB3 ALA 90 HB3 ALA 90 -5.076 -21.140 14.502 765 H VAL 91 HN VAL 91 -6.174 -22.185 13.105 766 HA VAL 91 HA VAL 91 -6.436 -24.816 11.970 767 HB VAL 91 HB VAL 91 -8.293 -25.343 13.492 768 HG11 VAL 91 HG11 VAL 91 -6.878 -26.193 15.406 769 HG12 VAL 91 HG12 VAL 91 -5.562 -25.188 14.799 770 HG13 VAL 91 HG13 VAL 91 -6.176 -26.517 13.820 771 HG21 VAL 91 HG21 VAL 91 -8.742 -23.189 14.470 772 HG22 VAL 91 HG22 VAL 91 -7.149 -23.160 15.231 773 HG23 VAL 91 HG23 VAL 91 -8.361 -24.322 15.768 774 H LYS 92 HN LYS 92 -8.702 -25.089 11.248 775 HA LYS 92 HA LYS 92 -9.732 -22.447 10.629 776 HB2 LYS 92 HB2 LYS 92 -10.404 -25.035 9.205 777 HB3 LYS 92 HB1 LYS 92 -10.869 -23.418 8.724 778 HG2 LYS 92 HG2 LYS 92 -9.095 -23.794 7.269 779 HG3 LYS 92 HG1 LYS 92 -8.316 -23.025 8.666 780 HD2 LYS 92 HD2 LYS 92 -7.468 -25.053 9.481 781 HD3 LYS 92 HD1 LYS 92 -8.477 -25.999 8.389 782 HE2 LYS 92 HE2 LYS 92 -6.159 -25.977 7.649 783 HE3 LYS 92 HE1 LYS 92 -7.209 -25.184 6.483 784 HZ1 LYS 92 HZ1 LYS 92 -5.129 -24.012 6.845 785 HZ2 LYS 92 HZ2 LYS 92 -5.494 -23.765 8.465 786 HZ3 LYS 92 HZ3 LYS 92 -6.432 -23.058 7.259 787 H ARG 93 HN ARG 93 -10.981 -25.718 11.254 788 HA ARG 93 HA ARG 93 -13.059 -24.460 12.884 789 HB2 ARG 93 HB2 ARG 93 -14.033 -25.079 10.705 790 HB3 ARG 93 HB1 ARG 93 -13.476 -26.726 10.910 791 HG2 ARG 93 HG2 ARG 93 -15.072 -27.153 12.614 792 HG3 ARG 93 HG1 ARG 93 -15.446 -25.439 12.787 793 HD2 ARG 93 HD2 ARG 93 -15.963 -27.046 10.290 794 HD3 ARG 93 HD1 ARG 93 -17.173 -26.744 11.539 795 HE ARG 93 HE ARG 93 -16.207 -24.280 10.891 796 HH11 ARG 93 HH11 ARG 93 -17.844 -26.845 9.067 797 HH12 ARG 93 HH12 ARG 93 -18.594 -25.773 7.978 798 HH21 ARG 93 HH21 ARG 93 -17.181 -22.833 9.344 799 HH22 ARG 93 HH22 ARG 93 -18.190 -23.447 8.123 800 H ILE 94 HN ILE 94 -10.426 -26.145 13.177 801 HA ILE 94 HA ILE 94 -11.378 -28.293 14.841 802 HB ILE 94 HB ILE 94 -8.539 -27.225 14.533 803 HG12 ILE 94 HG12 ILE 94 -9.759 -29.761 13.453 804 HG13 ILE 94 HG11 ILE 94 -9.577 -28.296 12.507 805 HG21 ILE 94 HG21 ILE 94 -7.826 -29.296 15.653 806 HG22 ILE 94 HG22 ILE 94 -9.514 -29.750 15.889 807 HG23 ILE 94 HG23 ILE 94 -8.867 -28.328 16.700 808 HD11 ILE 94 HD11 ILE 94 -7.143 -28.454 12.788 809 HD12 ILE 94 HD12 ILE 94 -7.811 -29.899 12.027 810 HD13 ILE 94 HD13 ILE 94 -7.364 -29.926 13.734 811 H LEU 95 HN LEU 95 -12.547 -27.485 16.380 812 HA LEU 95 HA LEU 95 -11.247 -25.681 18.265 813 HB2 LEU 95 HB2 LEU 95 -13.132 -24.632 17.035 814 HB3 LEU 95 HB1 LEU 95 -14.193 -25.899 17.610 815 HG LEU 95 HG LEU 95 -13.918 -25.097 19.915 816 HD11 LEU 95 HD11 LEU 95 -12.208 -22.952 18.662 817 HD12 LEU 95 HD12 LEU 95 -11.668 -24.200 19.789 818 HD13 LEU 95 HD13 LEU 95 -12.790 -22.952 20.323 819 HD21 LEU 95 HD21 LEU 95 -15.135 -22.994 19.663 820 HD22 LEU 95 HD22 LEU 95 -15.728 -24.212 18.530 821 HD23 LEU 95 HD23 LEU 95 -14.667 -22.924 17.964 822 H LYS 47 H LYS 47 -2.947 -3.177 26.835 823 HA LYS 47 HA LYS 47 -2.041 -5.274 27.290 824 HB2 LYS 47 HB2 LYS 47 -4.138 -6.437 27.924 825 HB3 LYS 47 HB1 LYS 47 -4.659 -6.381 26.250 826 HG2 LYS 47 HG2 LYS 47 -3.821 -8.596 26.851 827 HG3 LYS 47 HG1 LYS 47 -2.824 -7.849 25.601 828 HD2 LYS 47 HD2 LYS 47 -1.178 -7.201 27.295 829 HD3 LYS 47 HD1 LYS 47 -2.190 -7.911 28.551 830 HE2 LYS 47 HE2 LYS 47 -0.343 -9.385 27.947 831 HE3 LYS 47 HE1 LYS 47 -1.891 -10.118 27.549 832 HZ1 LYS 47 HZ1 LYS 47 -0.183 -10.377 25.831 833 HZ2 LYS 47 HZ2 LYS 47 -0.175 -8.708 25.558 834 HZ3 LYS 47 HZ3 LYS 47 -1.553 -9.612 25.250 835 H GLN 48 HN GLN 48 -4.256 -4.842 24.552 836 HA GLN 48 HA GLN 48 -2.331 -5.859 22.718 837 HB2 GLN 48 HB2 GLN 48 -4.777 -6.083 22.360 838 HB3 GLN 48 HB1 GLN 48 -4.886 -4.338 22.172 839 HG2 GLN 48 HG2 GLN 48 -3.438 -4.454 20.210 840 HG3 GLN 48 HG1 GLN 48 -3.327 -6.203 20.392 841 HE21 GLN 48 HE21 GLN 48 -5.125 -7.478 19.873 842 HE22 GLN 48 HE22 GLN 48 -6.443 -6.828 18.969 843 H THR 49 HN THR 49 -0.893 -4.803 21.551 844 HA THR 49 HA THR 49 -0.230 -2.121 22.164 845 HB THR 49 HB THR 49 1.495 -2.745 20.281 846 HG1 THR 49 HG1 THR 49 0.476 -4.587 19.452 847 HG21 THR 49 HG21 THR 49 2.019 -2.609 22.696 848 HG22 THR 49 HG22 THR 49 2.824 -3.989 21.950 849 HG23 THR 49 HG23 THR 49 1.372 -4.234 22.920 850 H LEU 50 HN LEU 50 0.531 -0.787 19.989 851 HA LEU 50 HA LEU 50 -1.903 -0.279 18.531 852 HB2 LEU 50 HB2 LEU 50 0.767 1.106 18.701 853 HB3 LEU 50 HB1 LEU 50 -0.427 1.571 17.517 854 HG LEU 50 HG LEU 50 -0.506 3.106 19.350 855 HD11 LEU 50 HD11 LEU 50 -2.820 2.951 20.055 856 HD12 LEU 50 HD12 LEU 50 -2.888 1.292 19.466 857 HD13 LEU 50 HD13 LEU 50 -2.619 2.619 18.335 858 HD21 LEU 50 HD21 LEU 50 0.468 1.773 21.124 859 HD22 LEU 50 HD22 LEU 50 -0.947 0.726 21.151 860 HD23 LEU 50 HD23 LEU 50 -1.092 2.410 21.655 861 H LEU 51 HN LEU 51 -0.173 -2.612 18.184 862 HA LEU 51 HA LEU 51 -0.300 -2.802 15.334 863 HB2 LEU 51 HB2 LEU 51 1.956 -3.928 15.305 864 HB3 LEU 51 HB1 LEU 51 2.030 -2.214 15.631 865 HG LEU 51 HG LEU 51 2.080 -3.051 18.142 866 HD11 LEU 51 HD11 LEU 51 3.399 -5.074 18.426 867 HD12 LEU 51 HD12 LEU 51 3.270 -5.395 16.695 868 HD13 LEU 51 HD13 LEU 51 1.822 -5.389 17.704 869 HD21 LEU 51 HD21 LEU 51 4.450 -3.072 16.302 870 HD22 LEU 51 HD22 LEU 51 4.523 -2.955 18.062 871 HD23 LEU 51 HD23 LEU 51 3.760 -1.671 17.119 872 H SER 52 HN SER 52 -0.717 -5.031 14.796 873 HA SER 52 HA SER 52 -1.291 -6.762 17.067 874 HB2 SER 52 HB2 SER 52 -3.168 -5.093 16.991 875 HB3 SER 52 HB1 SER 52 -3.560 -5.659 15.373 876 HG SER 52 HG SER 52 -4.326 -6.636 17.726 877 H ASP 53 HN ASP 53 -3.228 -8.292 15.747 878 HA ASP 53 HA ASP 53 -1.770 -10.199 14.356 879 HB2 ASP 53 HB2 ASP 53 -4.745 -9.695 14.403 880 HB3 ASP 53 HB1 ASP 53 -3.985 -11.157 13.801 881 H GLU 54 HN GLU 54 -3.512 -7.427 13.232 882 HA GLU 54 HA GLU 54 -3.780 -8.070 10.526 883 HB2 GLU 54 HB2 GLU 54 -3.904 -5.589 10.183 884 HB3 GLU 54 HB1 GLU 54 -5.013 -6.227 11.387 885 HG2 GLU 54 HG2 GLU 54 -3.605 -5.437 13.171 886 HG3 GLU 54 HG1 GLU 54 -2.382 -4.919 12.014 887 H ASP 55 HN ASP 55 -1.084 -6.668 12.312 888 HA ASP 55 HA ASP 55 0.480 -5.896 10.092 889 HB2 ASP 55 HB2 ASP 55 1.325 -6.686 12.888 890 HB3 ASP 55 HB1 ASP 55 2.362 -5.913 11.685 891 H ALA 56 HN ALA 56 0.183 -8.813 11.927 892 HA ALA 56 HA ALA 56 2.294 -10.188 10.639 893 HB1 ALA 56 HB1 ALA 56 1.428 -12.169 11.796 894 HB2 ALA 56 HB2 ALA 56 -0.020 -11.254 12.249 895 HB3 ALA 56 HB3 ALA 56 1.559 -10.773 12.869 896 H GLU 57 HN GLU 57 -1.107 -9.730 10.000 897 HA GLU 57 HA GLU 57 -1.462 -11.703 7.988 898 HB2 GLU 57 HB2 GLU 57 -3.378 -10.493 9.017 899 HB3 GLU 57 HB1 GLU 57 -2.798 -8.989 8.323 900 HG2 GLU 57 HG2 GLU 57 -3.084 -10.093 6.050 901 HG3 GLU 57 HG1 GLU 57 -3.969 -11.359 6.890 902 H LEU 58 HN LEU 58 -0.569 -8.305 7.959 903 HA LEU 58 HA LEU 58 -0.378 -8.012 5.179 904 HB2 LEU 58 HB2 LEU 58 1.159 -6.380 7.193 905 HB3 LEU 58 HB1 LEU 58 0.666 -5.898 5.587 906 HG LEU 58 HG LEU 58 -1.029 -6.257 8.015 907 HD11 LEU 58 HD11 LEU 58 -0.397 -3.831 6.420 908 HD12 LEU 58 HD12 LEU 58 -0.016 -4.196 8.102 909 HD13 LEU 58 HD13 LEU 58 -1.685 -3.930 7.616 910 HD21 LEU 58 HD21 LEU 58 -2.997 -5.637 6.703 911 HD22 LEU 58 HD22 LEU 58 -2.322 -7.185 6.219 912 HD23 LEU 58 HD23 LEU 58 -2.056 -5.760 5.222 913 H VAL 59 HN VAL 59 2.079 -8.915 7.579 914 HA VAL 59 HA VAL 59 4.220 -8.788 5.703 915 HB VAL 59 HB VAL 59 5.633 -9.938 7.275 916 HG11 VAL 59 HG11 VAL 59 5.295 -7.598 7.641 917 HG12 VAL 59 HG12 VAL 59 5.474 -8.425 9.187 918 HG13 VAL 59 HG13 VAL 59 3.874 -7.925 8.633 919 HG21 VAL 59 HG21 VAL 59 3.127 -10.448 8.853 920 HG22 VAL 59 HG22 VAL 59 4.764 -10.700 9.469 921 HG23 VAL 59 HG23 VAL 59 4.176 -11.652 8.105 922 H GLU 60 HN GLU 60 1.958 -11.354 6.479 923 HA GLU 60 HA GLU 60 3.578 -13.167 5.001 924 HB2 GLU 60 HB2 GLU 60 1.773 -14.826 5.250 925 HB3 GLU 60 HB1 GLU 60 2.285 -14.141 6.780 926 HG2 GLU 60 HG2 GLU 60 0.318 -12.806 6.904 927 HG3 GLU 60 HG1 GLU 60 -0.152 -13.262 5.265 928 H ILE 61 HN ILE 61 0.803 -11.149 4.363 929 HA ILE 61 HA ILE 61 0.256 -12.212 1.816 930 HB ILE 61 HB ILE 61 -0.332 -9.443 2.923 931 HG12 ILE 61 HG12 ILE 61 -2.079 -11.889 2.567 932 HG13 ILE 61 HG11 ILE 61 -1.442 -11.287 4.093 933 HG21 ILE 61 HG21 ILE 61 -1.397 -10.713 0.391 934 HG22 ILE 61 HG22 ILE 61 -0.293 -9.339 0.472 935 HG23 ILE 61 HG23 ILE 61 -1.940 -9.181 1.078 936 HD11 ILE 61 HD11 ILE 61 -3.399 -9.869 2.306 937 HD12 ILE 61 HD12 ILE 61 -2.774 -9.261 3.838 938 HD13 ILE 61 HD13 ILE 61 -3.779 -10.712 3.806 939 H VAL 62 HN VAL 62 2.514 -9.729 2.895 940 HA VAL 62 HA VAL 62 3.210 -9.070 0.224 941 HB VAL 62 HB VAL 62 3.648 -7.338 1.895 942 HG11 VAL 62 HG11 VAL 62 4.130 -8.710 3.784 943 HG12 VAL 62 HG12 VAL 62 5.425 -7.527 3.548 944 HG13 VAL 62 HG13 VAL 62 5.655 -9.219 3.073 945 HG21 VAL 62 HG21 VAL 62 5.948 -6.717 1.327 946 HG22 VAL 62 HG22 VAL 62 5.072 -7.314 -0.084 947 HG23 VAL 62 HG23 VAL 62 6.238 -8.351 0.734 948 H LYS 63 HN LYS 63 4.740 -11.256 2.563 949 HA LYS 63 HA LYS 63 6.947 -11.905 0.891 950 HB2 LYS 63 HB2 LYS 63 7.334 -13.779 2.364 951 HB3 LYS 63 HB1 LYS 63 6.831 -12.409 3.344 952 HG2 LYS 63 HG2 LYS 63 4.533 -13.345 3.313 953 HG3 LYS 63 HG1 LYS 63 5.165 -14.782 2.542 954 HD2 LYS 63 HD2 LYS 63 5.880 -13.711 5.285 955 HD3 LYS 63 HD1 LYS 63 4.957 -15.164 4.937 956 HE2 LYS 63 HE2 LYS 63 7.006 -16.050 3.766 957 HE3 LYS 63 HE1 LYS 63 7.872 -14.664 4.397 958 HZ1 LYS 63 HZ1 LYS 63 7.256 -15.343 6.654 959 HZ2 LYS 63 HZ2 LYS 63 8.214 -16.473 5.898 960 HZ3 LYS 63 HZ3 LYS 63 6.541 -16.746 6.048 961 H GLU 64 HN GLU 64 3.684 -12.998 1.021 962 HA GLU 64 HA GLU 64 3.854 -15.274 -0.623 963 HB2 GLU 64 HB2 GLU 64 1.985 -14.954 0.775 964 HB3 GLU 64 HB1 GLU 64 1.631 -13.370 0.089 965 HG2 GLU 64 HG2 GLU 64 0.028 -14.823 -0.795 966 HG3 GLU 64 HG1 GLU 64 1.226 -14.551 -2.047 967 H ARG 65 HN ARG 65 2.648 -11.998 -1.346 968 HA ARG 65 HA ARG 65 2.460 -12.528 -4.129 969 HB2 ARG 65 HB2 ARG 65 2.392 -9.879 -2.693 970 HB3 ARG 65 HB1 ARG 65 1.948 -10.140 -4.375 971 HG2 ARG 65 HG2 ARG 65 0.179 -11.684 -3.609 972 HG3 ARG 65 HG1 ARG 65 0.593 -11.263 -1.951 973 HD2 ARG 65 HD2 ARG 65 0.107 -8.903 -2.450 974 HD3 ARG 65 HD1 ARG 65 -0.394 -9.371 -4.078 975 HE ARG 65 HE ARG 65 -1.719 -10.865 -2.080 976 HH11 ARG 65 HH11 ARG 65 -1.852 -7.837 -3.896 977 HH12 ARG 65 HH12 ARG 65 -3.448 -7.455 -3.397 978 HH21 ARG 65 HH21 ARG 65 -3.937 -10.382 -1.470 979 HH22 ARG 65 HH22 ARG 65 -4.676 -8.953 -2.026 980 H LEU 66 HN LEU 66 4.987 -11.585 -2.127 981 HA LEU 66 HA LEU 66 6.475 -10.011 -3.935 982 HB2 LEU 66 HB2 LEU 66 6.760 -10.185 -1.439 983 HB3 LEU 66 HB1 LEU 66 7.568 -11.708 -1.714 984 HG LEU 66 HG LEU 66 9.363 -10.564 -2.913 985 HD11 LEU 66 HD11 LEU 66 9.395 -8.091 -2.929 986 HD12 LEU 66 HD12 LEU 66 7.748 -8.093 -2.279 987 HD13 LEU 66 HD13 LEU 66 8.064 -8.739 -3.886 988 HD21 LEU 66 HD21 LEU 66 9.466 -10.837 -0.480 989 HD22 LEU 66 HD22 LEU 66 8.663 -9.275 -0.293 990 HD23 LEU 66 HD23 LEU 66 10.273 -9.360 -1.014 991 H ARG 67 HN ARG 67 5.983 -13.410 -3.670 992 HA ARG 67 HA ARG 67 8.366 -14.047 -5.160 993 HB2 ARG 67 HB2 ARG 67 7.747 -16.346 -5.015 994 HB3 ARG 67 HB1 ARG 67 7.302 -15.635 -3.477 995 HG2 ARG 67 HG2 ARG 67 4.955 -15.498 -4.291 996 HG3 ARG 67 HG1 ARG 67 5.458 -16.351 -5.749 997 HD2 ARG 67 HD2 ARG 67 6.328 -18.172 -4.191 998 HD3 ARG 67 HD1 ARG 67 5.443 -17.325 -2.915 999 HE ARG 67 HE ARG 67 3.832 -17.871 -5.191 1000 HH11 ARG 67 HH11 ARG 67 5.075 -19.328 -2.238 1001 HH12 ARG 67 HH12 ARG 67 3.807 -20.462 -2.101 1002 HH21 ARG 67 HH21 ARG 67 2.140 -19.466 -5.038 1003 HH22 ARG 67 HH22 ARG 67 2.099 -20.508 -3.697 1004 H ASN 68 HN ASN 68 5.084 -13.241 -5.881 1005 HA ASN 68 HA ASN 68 5.625 -13.301 -8.723 1006 HB2 ASN 68 HB2 ASN 68 3.502 -15.069 -7.480 1007 HB3 ASN 68 HB1 ASN 68 3.367 -14.519 -9.135 1008 HD21 ASN 68 HD21 ASN 68 4.710 -15.405 -10.670 1009 HD22 ASN 68 HD22 ASN 68 5.663 -16.801 -10.396 1010 HA PRO 69 HA PRO 69 2.718 -9.953 -7.533 1011 HB2 PRO 69 HB2 PRO 69 4.480 -7.868 -7.771 1012 HB3 PRO 69 HB1 PRO 69 4.186 -8.772 -6.282 1013 HG2 PRO 69 HG2 PRO 69 6.593 -8.715 -7.872 1014 HG3 PRO 69 HG1 PRO 69 6.293 -9.600 -6.370 1015 HD2 PRO 69 HD2 PRO 69 6.189 -10.564 -9.177 1016 HD3 PRO 69 HD1 PRO 69 6.450 -11.478 -7.675 1017 H LYS 70 HN LYS 70 5.259 -8.987 -9.852 1018 HA LYS 70 HA LYS 70 5.298 -7.855 -11.743 1019 HB2 LYS 70 HB2 LYS 70 2.648 -9.209 -12.200 1020 HB3 LYS 70 HB1 LYS 70 3.194 -7.970 -13.312 1021 HG2 LYS 70 HG2 LYS 70 3.734 -10.104 -14.229 1022 HG3 LYS 70 HG1 LYS 70 5.230 -9.330 -13.730 1023 HD2 LYS 70 HD2 LYS 70 5.313 -10.695 -11.736 1024 HD3 LYS 70 HD1 LYS 70 3.737 -11.388 -12.129 1025 HE2 LYS 70 HE2 LYS 70 4.659 -12.351 -14.172 1026 HE3 LYS 70 HE1 LYS 70 6.240 -11.655 -13.801 1027 HZ1 LYS 70 HZ1 LYS 70 6.245 -13.066 -11.771 1028 HZ2 LYS 70 HZ2 LYS 70 6.197 -13.942 -13.185 1029 HZ3 LYS 70 HZ3 LYS 70 4.793 -13.758 -12.297 1030 HA PRO 71 HA PRO 71 3.294 -4.295 -10.013 1031 HB2 PRO 71 HB2 PRO 71 5.437 -2.680 -10.069 1032 HB3 PRO 71 HB1 PRO 71 5.217 -3.910 -8.821 1033 HG2 PRO 71 HG2 PRO 71 7.032 -3.903 -11.170 1034 HG3 PRO 71 HG1 PRO 71 7.247 -4.661 -9.587 1035 HD2 PRO 71 HD2 PRO 71 6.419 -5.933 -11.963 1036 HD3 PRO 71 HD1 PRO 71 6.366 -6.609 -10.328 1037 H VAL 72 HN VAL 72 2.167 -2.906 -11.128 1038 HA VAL 72 HA VAL 72 2.989 -2.087 -13.814 1039 HB VAL 72 HB VAL 72 0.315 -1.747 -12.403 1040 HG11 VAL 72 HG11 VAL 72 1.052 -1.336 -15.299 1041 HG12 VAL 72 HG12 VAL 72 0.684 -0.073 -14.128 1042 HG13 VAL 72 HG13 VAL 72 -0.573 -1.209 -14.623 1043 HG21 VAL 72 HG21 VAL 72 0.724 -4.106 -12.765 1044 HG22 VAL 72 HG22 VAL 72 1.148 -3.804 -14.448 1045 HG23 VAL 72 HG23 VAL 72 -0.506 -3.542 -13.900 1046 H ARG 73 HN ARG 73 3.779 -0.046 -14.011 1047 HA ARG 73 HA ARG 73 3.900 1.558 -11.613 1048 HB2 ARG 73 HB2 ARG 73 5.832 1.181 -13.336 1049 HB3 ARG 73 HB1 ARG 73 4.992 2.355 -14.325 1050 HG2 ARG 73 HG2 ARG 73 5.985 2.920 -11.524 1051 HG3 ARG 73 HG1 ARG 73 6.914 3.245 -12.979 1052 HD2 ARG 73 HD2 ARG 73 4.214 4.439 -12.342 1053 HD3 ARG 73 HD1 ARG 73 5.755 5.236 -12.039 1054 HE ARG 73 HE ARG 73 6.090 4.924 -14.541 1055 HH11 ARG 73 HH11 ARG 73 2.975 5.562 -13.064 1056 HH12 ARG 73 HH12 ARG 73 2.253 6.265 -14.443 1057 HH21 ARG 73 HH21 ARG 73 5.207 5.992 -16.405 1058 HH22 ARG 73 HH22 ARG 73 3.592 6.519 -16.405 1059 H VAL 74 HN VAL 74 2.474 2.973 -11.166 1060 HA VAL 74 HA VAL 74 0.893 4.230 -13.280 1061 HB VAL 74 HB VAL 74 -1.110 4.146 -11.737 1062 HG11 VAL 74 HG11 VAL 74 -1.693 1.786 -12.159 1063 HG12 VAL 74 HG12 VAL 74 -0.021 1.481 -12.638 1064 HG13 VAL 74 HG13 VAL 74 -1.027 2.592 -13.574 1065 HG21 VAL 74 HG21 VAL 74 0.576 2.158 -10.231 1066 HG22 VAL 74 HG22 VAL 74 -1.134 2.497 -9.942 1067 HG23 VAL 74 HG23 VAL 74 0.077 3.755 -9.670 1068 H THR 75 HN THR 75 -0.436 6.031 -12.080 1069 HA THR 75 HA THR 75 1.127 7.322 -10.013 1070 HB THR 75 HB THR 75 0.576 9.536 -11.121 1071 HG1 THR 75 HG1 THR 75 0.216 8.084 -13.506 1072 HG21 THR 75 HG21 THR 75 2.372 9.462 -12.818 1073 HG22 THR 75 HG22 THR 75 2.362 7.700 -12.730 1074 HG23 THR 75 HG23 THR 75 2.844 8.649 -11.325 1075 H LEU 76 HN LEU 76 -0.360 8.965 -8.939 1076 HA LEU 76 HA LEU 76 -2.882 7.740 -8.446 1077 HB2 LEU 76 HB2 LEU 76 -1.833 10.445 -7.655 1078 HB3 LEU 76 HB1 LEU 76 -3.315 9.734 -7.048 1079 HG LEU 76 HG LEU 76 -0.616 8.493 -6.707 1080 HD11 LEU 76 HD11 LEU 76 -0.741 9.324 -4.396 1081 HD12 LEU 76 HD12 LEU 76 -2.252 10.148 -4.788 1082 HD13 LEU 76 HD13 LEU 76 -0.743 10.656 -5.553 1083 HD21 LEU 76 HD21 LEU 76 -1.755 7.194 -4.952 1084 HD22 LEU 76 HD22 LEU 76 -2.411 6.904 -6.553 1085 HD23 LEU 76 HD23 LEU 76 -3.285 7.941 -5.420 1086 H ASP 77 HN ASP 77 -1.744 10.144 -10.597 1087 HA ASP 77 HA ASP 77 -4.214 11.419 -11.122 1088 HB2 ASP 77 HB2 ASP 77 -2.109 12.507 -11.712 1089 HB3 ASP 77 HB1 ASP 77 -1.741 11.216 -12.853 1090 H GLU 78 HN GLU 78 -2.537 8.664 -12.523 1091 HA GLU 78 HA GLU 78 -4.608 8.433 -14.515 1092 HB2 GLU 78 HB2 GLU 78 -3.308 6.604 -15.455 1093 HB3 GLU 78 HB1 GLU 78 -2.332 8.040 -15.228 1094 HG2 GLU 78 HG2 GLU 78 -1.481 7.068 -13.156 1095 HG3 GLU 78 HG1 GLU 78 -2.303 5.561 -13.519 1096 H LEU 79 HN LEU 79 -4.353 7.480 -11.367 1097 HA LEU 79 HA LEU 79 -5.966 5.113 -11.722 1098 HB2 LEU 79 HB2 LEU 79 -5.275 6.656 -9.214 1099 HB3 LEU 79 HB1 LEU 79 -6.186 5.165 -9.251 1100 HG LEU 79 HG LEU 79 -3.284 5.529 -9.960 1101 HD11 LEU 79 HD11 LEU 79 -4.649 4.062 -7.722 1102 HD12 LEU 79 HD12 LEU 79 -3.744 5.574 -7.597 1103 HD13 LEU 79 HD13 LEU 79 -2.915 4.083 -8.049 1104 HD21 LEU 79 HD21 LEU 79 -3.235 3.084 -10.245 1105 HD22 LEU 79 HD22 LEU 79 -4.264 3.868 -11.440 1106 HD23 LEU 79 HD23 LEU 79 -4.989 3.039 -10.062 Start of MODEL 12 1 H MET 1 H MET 1 6.279 11.750 -9.745 2 HA MET 1 HA MET 1 5.725 13.626 -8.391 3 HB2 MET 1 HB2 MET 1 5.465 11.514 -6.223 4 HB3 MET 1 HB1 MET 1 5.297 13.242 -5.995 5 HG2 MET 1 HG2 MET 1 3.429 11.475 -7.565 6 HG3 MET 1 HG1 MET 1 3.133 12.127 -5.959 7 HE1 MET 1 HE1 MET 1 4.074 15.106 -6.077 8 HE2 MET 1 HE2 MET 1 2.476 14.657 -5.474 9 HE3 MET 1 HE3 MET 1 2.639 15.935 -6.676 10 H ALA 2 HN ALA 2 7.253 13.237 -5.762 11 HA ALA 2 HA ALA 2 9.889 13.104 -6.700 12 HB1 ALA 2 HB1 ALA 2 8.839 12.440 -3.935 13 HB2 ALA 2 HB2 ALA 2 9.317 14.040 -4.504 14 HB3 ALA 2 HB3 ALA 2 10.525 12.768 -4.336 15 H TYR 3 HN TYR 3 7.754 10.669 -5.379 16 HA TYR 3 HA TYR 3 9.514 8.553 -6.392 17 HB2 TYR 3 HB2 TYR 3 7.389 8.603 -4.273 18 HB3 TYR 3 HB1 TYR 3 7.849 7.088 -5.019 19 HD1 TYR 3 HD1 TYR 3 9.335 10.035 -3.267 20 HD2 TYR 3 HD2 TYR 3 9.594 5.864 -4.060 21 HE1 TYR 3 HE1 TYR 3 11.163 9.840 -1.647 22 HE2 TYR 3 HE2 TYR 3 11.437 5.659 -2.442 23 HH TYR 3 HH TYR 3 12.184 8.239 -0.304 24 H PHE 4 HN PHE 4 8.584 6.878 -7.625 25 HA PHE 4 HA PHE 4 6.279 7.641 -9.216 26 HB2 PHE 4 HB2 PHE 4 7.911 5.081 -9.293 27 HB3 PHE 4 HB1 PHE 4 6.723 5.579 -10.483 28 HD1 PHE 4 HD2 PHE 4 7.226 7.868 -11.659 29 HD2 PHE 4 HD1 PHE 4 10.114 5.487 -9.647 30 HE1 PHE 4 HE2 PHE 4 9.022 8.967 -12.932 31 HE2 PHE 4 HE1 PHE 4 11.906 6.568 -10.902 32 HZ PHE 4 HZ PHE 4 11.367 8.320 -12.551 33 H LEU 5 HN LEU 5 4.588 5.704 -9.595 34 HA LEU 5 HA LEU 5 4.047 4.560 -6.983 35 HB2 LEU 5 HB2 LEU 5 2.521 6.429 -7.528 36 HB3 LEU 5 HB1 LEU 5 2.141 5.651 -9.043 37 HG LEU 5 HG LEU 5 1.072 3.824 -7.865 38 HD11 LEU 5 HD11 LEU 5 2.347 3.868 -5.769 39 HD12 LEU 5 HD12 LEU 5 0.622 4.014 -5.445 40 HD13 LEU 5 HD13 LEU 5 1.656 5.441 -5.374 41 HD21 LEU 5 HD21 LEU 5 -0.266 5.664 -8.590 42 HD22 LEU 5 HD22 LEU 5 0.165 6.582 -7.153 43 HD23 LEU 5 HD23 LEU 5 -0.837 5.147 -6.998 44 H ASP 6 HN ASP 6 3.514 2.440 -7.016 45 HA ASP 6 HA ASP 6 3.063 1.102 -9.579 46 HB2 ASP 6 HB2 ASP 6 5.486 0.719 -7.917 47 HB3 ASP 6 HB1 ASP 6 4.675 -0.757 -8.400 48 H PHE 7 HN PHE 7 2.033 -0.844 -9.398 49 HA PHE 7 HA PHE 7 1.134 -1.621 -6.724 50 HB2 PHE 7 HB2 PHE 7 -0.608 -0.870 -9.021 51 HB3 PHE 7 HB1 PHE 7 -1.154 -2.130 -7.935 52 HD1 PHE 7 HD1 PHE 7 -0.212 1.425 -8.173 53 HD2 PHE 7 HD2 PHE 7 -2.038 -1.593 -5.820 54 HE1 PHE 7 HE1 PHE 7 -1.155 3.149 -6.703 55 HE2 PHE 7 HE2 PHE 7 -2.983 0.128 -4.336 56 HZ PHE 7 HZ PHE 7 -2.544 2.502 -4.783 57 H ASP 8 HN ASP 8 0.980 -3.679 -6.401 58 HA ASP 8 HA ASP 8 1.839 -5.674 -8.176 59 HB2 ASP 8 HB2 ASP 8 1.972 -6.321 -5.947 60 HB3 ASP 8 HB1 ASP 8 0.418 -5.615 -5.536 61 H GLU 9 HN GLU 9 0.699 -7.142 -9.415 62 HA GLU 9 HA GLU 9 -1.407 -6.272 -10.924 63 HB2 GLU 9 HB2 GLU 9 0.335 -8.357 -10.935 64 HB3 GLU 9 HB1 GLU 9 -1.187 -9.153 -10.568 65 HG2 GLU 9 HG2 GLU 9 -0.800 -7.345 -12.920 66 HG3 GLU 9 HG1 GLU 9 -0.514 -9.079 -12.988 67 H ARG 10 HN ARG 10 -1.552 -8.106 -7.862 68 HA ARG 10 HA ARG 10 -4.395 -8.604 -8.252 69 HB2 ARG 10 HB2 ARG 10 -2.832 -9.080 -5.693 70 HB3 ARG 10 HB1 ARG 10 -4.438 -9.656 -6.061 71 HG2 ARG 10 HG2 ARG 10 -3.031 -11.519 -6.207 72 HG3 ARG 10 HG1 ARG 10 -3.350 -11.063 -7.881 73 HD2 ARG 10 HD2 ARG 10 -1.222 -9.994 -8.055 74 HD3 ARG 10 HD1 ARG 10 -0.922 -10.192 -6.331 75 HE ARG 10 HE ARG 10 -1.365 -12.647 -7.678 76 HH11 ARG 10 HH11 ARG 10 1.105 -10.146 -7.041 77 HH12 ARG 10 HH12 ARG 10 2.384 -11.265 -7.151 78 HH21 ARG 10 HH21 ARG 10 0.426 -14.127 -7.795 79 HH22 ARG 10 HH22 ARG 10 2.014 -13.543 -7.586 80 H ALA 11 HN ALA 11 -2.247 -6.542 -6.456 81 HA ALA 11 HA ALA 11 -4.062 -5.244 -4.762 82 HB1 ALA 11 HB1 ALA 11 -1.620 -4.032 -6.062 83 HB2 ALA 11 HB2 ALA 11 -1.626 -4.980 -4.572 84 HB3 ALA 11 HB3 ALA 11 -2.445 -3.420 -4.629 85 H LEU 12 HN LEU 12 -3.340 -4.718 -8.110 86 HA LEU 12 HA LEU 12 -4.803 -2.391 -8.737 87 HB2 LEU 12 HB2 LEU 12 -4.590 -4.969 -10.270 88 HB3 LEU 12 HB1 LEU 12 -5.136 -3.439 -10.948 89 HG LEU 12 HG LEU 12 -2.352 -4.096 -9.960 90 HD11 LEU 12 HD11 LEU 12 -3.442 -3.741 -12.739 91 HD12 LEU 12 HD12 LEU 12 -3.006 -5.281 -12.000 92 HD13 LEU 12 HD13 LEU 12 -1.761 -4.065 -12.307 93 HD21 LEU 12 HD21 LEU 12 -3.418 -1.675 -11.396 94 HD22 LEU 12 HD22 LEU 12 -1.721 -1.987 -11.023 95 HD23 LEU 12 HD23 LEU 12 -2.883 -1.731 -9.719 96 H LYS 13 HN LYS 13 -5.859 -5.722 -8.485 97 HA LYS 13 HA LYS 13 -8.554 -5.122 -9.253 98 HB2 LYS 13 HB2 LYS 13 -7.768 -7.639 -7.815 99 HB3 LYS 13 HB1 LYS 13 -8.972 -7.421 -9.076 100 HG2 LYS 13 HG2 LYS 13 -5.972 -7.423 -9.434 101 HG3 LYS 13 HG1 LYS 13 -7.103 -8.679 -9.911 102 HD2 LYS 13 HD2 LYS 13 -8.017 -7.329 -11.634 103 HD3 LYS 13 HD1 LYS 13 -7.212 -5.881 -11.009 104 HE2 LYS 13 HE2 LYS 13 -5.068 -6.822 -11.467 105 HE3 LYS 13 HE1 LYS 13 -5.785 -8.325 -12.047 106 HZ1 LYS 13 HZ1 LYS 13 -5.034 -6.880 -13.778 107 HZ2 LYS 13 HZ2 LYS 13 -6.078 -5.640 -13.296 108 HZ3 LYS 13 HZ3 LYS 13 -6.695 -7.100 -13.911 109 H GLU 14 HN GLU 14 -6.740 -5.325 -6.350 110 HA GLU 14 HA GLU 14 -8.759 -5.694 -4.471 111 HB2 GLU 14 HB2 GLU 14 -6.119 -4.307 -4.283 112 HB3 GLU 14 HB1 GLU 14 -7.165 -4.565 -2.890 113 HG2 GLU 14 HG2 GLU 14 -6.074 -6.775 -4.636 114 HG3 GLU 14 HG1 GLU 14 -5.284 -6.208 -3.178 115 H TRP 15 HN TRP 15 -7.460 -2.623 -5.827 116 HA TRP 15 HA TRP 15 -9.309 -1.205 -4.166 117 HB2 TRP 15 HB2 TRP 15 -8.609 0.869 -5.092 118 HB3 TRP 15 HB1 TRP 15 -7.173 -0.124 -5.015 119 HD1 TRP 15 HD1 TRP 15 -9.793 0.970 -7.712 120 HE1 TRP 15 HE1 TRP 15 -8.529 1.391 -9.898 121 HE3 TRP 15 HE3 TRP 15 -5.108 -0.481 -6.277 122 HZ2 TRP 15 HZ2 TRP 15 -5.967 1.124 -10.902 123 HZ3 TRP 15 HZ3 TRP 15 -3.317 -0.360 -7.951 124 HH2 TRP 15 HH2 TRP 15 -3.742 0.426 -10.202 125 H ARG 16 HN ARG 16 -9.515 -2.721 -7.129 126 HA ARG 16 HA ARG 16 -11.775 -1.295 -8.174 127 HB2 ARG 16 HB2 ARG 16 -10.842 -4.082 -8.878 128 HB3 ARG 16 HB1 ARG 16 -11.881 -3.044 -9.840 129 HG2 ARG 16 HG2 ARG 16 -9.026 -2.386 -9.157 130 HG3 ARG 16 HG1 ARG 16 -9.495 -3.194 -10.631 131 HD2 ARG 16 HD2 ARG 16 -10.354 -0.460 -9.750 132 HD3 ARG 16 HD1 ARG 16 -9.100 -0.839 -10.925 133 HE ARG 16 HE ARG 16 -11.466 -2.105 -11.721 134 HH11 ARG 16 HH11 ARG 16 -10.259 1.257 -11.537 135 HH12 ARG 16 HH12 ARG 16 -11.192 1.778 -12.838 136 HH21 ARG 16 HH21 ARG 16 -12.672 -1.361 -13.503 137 HH22 ARG 16 HH22 ARG 16 -12.615 0.273 -13.997 138 H LYS 17 HN LYS 17 -11.306 -3.981 -6.011 139 HA LYS 17 HA LYS 17 -14.105 -4.752 -6.137 140 HB2 LYS 17 HB2 LYS 17 -13.424 -6.620 -4.587 141 HB3 LYS 17 HB1 LYS 17 -12.632 -6.627 -6.153 142 HG2 LYS 17 HG2 LYS 17 -10.892 -7.137 -4.700 143 HG3 LYS 17 HG1 LYS 17 -10.737 -5.401 -4.937 144 HD2 LYS 17 HD2 LYS 17 -10.439 -5.619 -2.649 145 HD3 LYS 17 HD1 LYS 17 -12.148 -5.212 -2.775 146 HE2 LYS 17 HE2 LYS 17 -11.811 -7.020 -1.183 147 HE3 LYS 17 HE1 LYS 17 -12.711 -7.596 -2.583 148 HZ1 LYS 17 HZ1 LYS 17 -10.791 -8.672 -3.420 149 HZ2 LYS 17 HZ2 LYS 17 -10.864 -9.080 -1.786 150 HZ3 LYS 17 HZ3 LYS 17 -9.772 -7.900 -2.334 151 H LEU 18 HN LEU 18 -12.559 -2.404 -4.569 152 HA LEU 18 HA LEU 18 -14.351 -2.710 -2.299 153 HB2 LEU 18 HB2 LEU 18 -12.813 -1.247 -0.975 154 HB3 LEU 18 HB1 LEU 18 -12.192 -2.821 -1.383 155 HG LEU 18 HG LEU 18 -10.915 -1.694 -3.241 156 HD11 LEU 18 HD11 LEU 18 -12.091 0.431 -3.323 157 HD12 LEU 18 HD12 LEU 18 -10.376 0.656 -2.970 158 HD13 LEU 18 HD13 LEU 18 -11.563 0.790 -1.675 159 HD21 LEU 18 HD21 LEU 18 -10.257 -1.042 -0.382 160 HD22 LEU 18 HD22 LEU 18 -9.130 -0.957 -1.735 161 HD23 LEU 18 HD23 LEU 18 -9.826 -2.509 -1.272 162 H GLY 19 HN GLY 19 -14.857 -0.559 -1.219 163 HA2 GLY 19 HA2 GLY 19 -16.564 0.821 -2.907 164 HA3 GLY 19 HA1 GLY 19 -16.080 1.330 -1.299 165 H SER 20 HN SER 20 -16.515 2.680 -3.968 166 HA SER 20 HA SER 20 -14.143 3.630 -5.010 167 HB2 SER 20 HB2 SER 20 -16.814 5.005 -4.963 168 HB3 SER 20 HB1 SER 20 -15.521 5.140 -6.167 169 HG SER 20 HG SER 20 -16.612 3.650 -7.125 170 H THR 21 HN THR 21 -16.086 4.791 -2.262 171 HA THR 21 HA THR 21 -14.718 7.289 -2.059 172 HB THR 21 HB THR 21 -16.343 5.854 0.063 173 HG1 THR 21 HG1 THR 21 -17.019 7.256 -2.276 174 HG21 THR 21 HG21 THR 21 -15.831 8.786 -0.486 175 HG22 THR 21 HG22 THR 21 -15.121 7.853 0.836 176 HG23 THR 21 HG23 THR 21 -16.860 8.150 0.797 177 H VAL 22 HN VAL 22 -14.261 4.071 -0.939 178 HA VAL 22 HA VAL 22 -12.446 4.534 1.181 179 HB VAL 22 HB VAL 22 -12.772 2.118 -0.608 180 HG11 VAL 22 HG11 VAL 22 -10.581 2.127 0.458 181 HG12 VAL 22 HG12 VAL 22 -11.608 0.878 1.165 182 HG13 VAL 22 HG13 VAL 22 -11.333 2.390 2.030 183 HG21 VAL 22 HG21 VAL 22 -13.866 2.705 2.142 184 HG22 VAL 22 HG22 VAL 22 -14.032 1.176 1.279 185 HG23 VAL 22 HG23 VAL 22 -14.786 2.639 0.640 186 H ARG 23 HN ARG 23 -11.979 3.692 -2.225 187 HA ARG 23 HA ARG 23 -9.176 3.824 -2.036 188 HB2 ARG 23 HB2 ARG 23 -9.134 3.756 -4.517 189 HB3 ARG 23 HB1 ARG 23 -10.120 2.499 -3.786 190 HG2 ARG 23 HG2 ARG 23 -12.113 3.820 -4.298 191 HG3 ARG 23 HG1 ARG 23 -11.081 4.990 -5.130 192 HD2 ARG 23 HD2 ARG 23 -10.309 3.238 -6.649 193 HD3 ARG 23 HD1 ARG 23 -11.299 2.057 -5.798 194 HE ARG 23 HE ARG 23 -12.518 4.382 -7.076 195 HH11 ARG 23 HH11 ARG 23 -12.224 0.826 -6.805 196 HH12 ARG 23 HH12 ARG 23 -13.500 0.544 -7.910 197 HH21 ARG 23 HH21 ARG 23 -14.296 3.893 -8.555 198 HH22 ARG 23 HH22 ARG 23 -14.668 2.265 -8.907 199 H GLU 24 HN GLU 24 -11.504 6.299 -2.522 200 HA GLU 24 HA GLU 24 -9.724 8.290 -3.467 201 HB2 GLU 24 HB2 GLU 24 -12.327 8.471 -1.962 202 HB3 GLU 24 HB1 GLU 24 -11.445 9.891 -2.507 203 HG2 GLU 24 HG2 GLU 24 -12.453 7.693 -4.282 204 HG3 GLU 24 HG1 GLU 24 -13.253 9.250 -4.038 205 H GLN 25 HN GLN 25 -10.525 7.114 -0.272 206 HA GLN 25 HA GLN 25 -9.129 9.128 1.177 207 HB2 GLN 25 HB2 GLN 25 -9.866 6.292 1.937 208 HB3 GLN 25 HB1 GLN 25 -9.220 7.482 3.051 209 HG2 GLN 25 HG2 GLN 25 -11.208 8.879 2.687 210 HG3 GLN 25 HG1 GLN 25 -11.837 7.662 1.579 211 HE21 GLN 25 HE21 GLN 25 -12.717 5.818 2.376 212 HE22 GLN 25 HE22 GLN 25 -12.965 5.538 4.072 213 H LEU 26 HN LEU 26 -8.357 5.992 -0.119 214 HA LEU 26 HA LEU 26 -5.784 5.727 0.988 215 HB2 LEU 26 HB2 LEU 26 -6.926 4.477 -1.502 216 HB3 LEU 26 HB1 LEU 26 -5.458 3.967 -0.695 217 HG LEU 26 HG LEU 26 -8.237 3.821 0.479 218 HD11 LEU 26 HD11 LEU 26 -7.977 1.415 0.253 219 HD12 LEU 26 HD12 LEU 26 -6.421 1.653 -0.541 220 HD13 LEU 26 HD13 LEU 26 -7.901 2.216 -1.315 221 HD21 LEU 26 HD21 LEU 26 -6.580 4.173 2.216 222 HD22 LEU 26 HD22 LEU 26 -5.580 2.879 1.562 223 HD23 LEU 26 HD23 LEU 26 -7.154 2.505 2.265 224 H LYS 27 HN LYS 27 -6.905 7.128 -2.064 225 HA LYS 27 HA LYS 27 -4.336 7.449 -3.205 226 HB2 LYS 27 HB2 LYS 27 -6.906 8.934 -3.776 227 HB3 LYS 27 HB1 LYS 27 -5.423 9.125 -4.702 228 HG2 LYS 27 HG2 LYS 27 -5.519 6.751 -5.331 229 HG3 LYS 27 HG1 LYS 27 -7.009 6.577 -4.403 230 HD2 LYS 27 HD2 LYS 27 -7.507 6.829 -6.781 231 HD3 LYS 27 HD1 LYS 27 -8.108 8.218 -5.874 232 HE2 LYS 27 HE2 LYS 27 -6.156 9.517 -6.557 233 HE3 LYS 27 HE1 LYS 27 -5.509 8.127 -7.412 234 HZ1 LYS 27 HZ1 LYS 27 -8.041 9.534 -8.071 235 HZ2 LYS 27 HZ2 LYS 27 -7.405 8.211 -8.909 236 HZ3 LYS 27 HZ3 LYS 27 -6.579 9.670 -8.898 237 H LYS 28 HN LYS 28 -6.156 9.348 -0.982 238 HA LYS 28 HA LYS 28 -4.624 11.735 -1.155 239 HB2 LYS 28 HB2 LYS 28 -6.815 10.728 0.387 240 HB3 LYS 28 HB1 LYS 28 -5.621 11.399 1.477 241 HG2 LYS 28 HG2 LYS 28 -7.265 13.074 0.974 242 HG3 LYS 28 HG1 LYS 28 -5.743 13.542 0.240 243 HD2 LYS 28 HD2 LYS 28 -7.911 12.143 -1.324 244 HD3 LYS 28 HD1 LYS 28 -7.918 13.891 -1.119 245 HE2 LYS 28 HE2 LYS 28 -5.557 13.826 -2.142 246 HE3 LYS 28 HE1 LYS 28 -5.924 12.153 -2.569 247 HZ1 LYS 28 HZ1 LYS 28 -6.422 13.599 -4.407 248 HZ2 LYS 28 HZ2 LYS 28 -7.421 14.550 -3.455 249 HZ3 LYS 28 HZ3 LYS 28 -7.870 12.974 -3.811 250 H LYS 29 HN LYS 29 -4.289 8.759 0.648 251 HA LYS 29 HA LYS 29 -2.077 9.767 2.153 252 HB2 LYS 29 HB2 LYS 29 -3.479 7.141 2.030 253 HB3 LYS 29 HB1 LYS 29 -1.833 7.163 2.650 254 HG2 LYS 29 HG2 LYS 29 -3.548 7.344 4.424 255 HG3 LYS 29 HG1 LYS 29 -2.444 8.718 4.378 256 HD2 LYS 29 HD2 LYS 29 -4.193 9.898 2.981 257 HD3 LYS 29 HD1 LYS 29 -5.289 8.583 3.405 258 HE2 LYS 29 HE2 LYS 29 -5.534 10.539 4.821 259 HE3 LYS 29 HE1 LYS 29 -5.056 9.090 5.730 260 HZ1 LYS 29 HZ1 LYS 29 -3.799 11.174 6.359 261 HZ2 LYS 29 HZ2 LYS 29 -3.047 11.132 4.832 262 HZ3 LYS 29 HZ3 LYS 29 -2.870 9.874 5.901 263 H LEU 30 HN LEU 30 -2.560 8.028 -0.688 264 HA LEU 30 HA LEU 30 0.114 7.198 -1.043 265 HB2 LEU 30 HB2 LEU 30 -2.049 7.623 -3.082 266 HB3 LEU 30 HB1 LEU 30 -0.459 6.985 -3.465 267 HG LEU 30 HG LEU 30 -2.422 5.681 -1.578 268 HD11 LEU 30 HD11 LEU 30 -2.725 4.037 -3.344 269 HD12 LEU 30 HD12 LEU 30 -1.659 4.962 -4.402 270 HD13 LEU 30 HD13 LEU 30 -3.207 5.639 -3.896 271 HD21 LEU 30 HD21 LEU 30 -0.878 3.764 -1.749 272 HD22 LEU 30 HD22 LEU 30 -0.115 5.163 -1.012 273 HD23 LEU 30 HD23 LEU 30 0.227 4.760 -2.694 274 H VAL 31 HN VAL 31 -1.576 10.129 -2.092 275 HA VAL 31 HA VAL 31 0.628 11.073 -3.576 276 HB VAL 31 HB VAL 31 -1.654 11.981 -3.940 277 HG11 VAL 31 HG11 VAL 31 -1.292 13.416 -1.341 278 HG12 VAL 31 HG12 VAL 31 -2.451 12.138 -1.694 279 HG13 VAL 31 HG13 VAL 31 -2.587 13.701 -2.504 280 HG21 VAL 31 HG21 VAL 31 0.387 14.089 -3.258 281 HG22 VAL 31 HG22 VAL 31 -1.049 14.347 -4.249 282 HG23 VAL 31 HG23 VAL 31 0.215 13.249 -4.799 283 H GLU 32 HN GLU 32 -0.167 11.357 -0.185 284 HA GLU 32 HA GLU 32 1.931 13.236 0.232 285 HB2 GLU 32 HB2 GLU 32 1.515 12.964 2.655 286 HB3 GLU 32 HB1 GLU 32 0.053 13.319 1.756 287 HG2 GLU 32 HG2 GLU 32 -0.567 10.977 1.848 288 HG3 GLU 32 HG1 GLU 32 0.898 10.613 2.758 289 H VAL 33 HN VAL 33 1.794 9.718 0.278 290 HA VAL 33 HA VAL 33 4.407 9.580 1.531 291 HB VAL 33 HB VAL 33 4.362 7.223 1.382 292 HG11 VAL 33 HG11 VAL 33 2.878 8.065 2.962 293 HG12 VAL 33 HG12 VAL 33 2.145 6.615 2.184 294 HG13 VAL 33 HG13 VAL 33 1.691 8.265 1.669 295 HG21 VAL 33 HG21 VAL 33 2.771 5.926 0.064 296 HG22 VAL 33 HG22 VAL 33 3.839 6.906 -0.931 297 HG23 VAL 33 HG23 VAL 33 2.161 7.420 -0.674 298 H LEU 34 HN LEU 34 3.163 9.894 -1.529 299 HA LEU 34 HA LEU 34 5.413 8.937 -2.841 300 HB2 LEU 34 HB2 LEU 34 3.313 10.834 -3.864 301 HB3 LEU 34 HB1 LEU 34 4.659 10.326 -4.865 302 HG LEU 34 HG LEU 34 2.568 8.481 -3.697 303 HD11 LEU 34 HD11 LEU 34 1.801 8.265 -5.992 304 HD12 LEU 34 HD12 LEU 34 3.028 9.419 -6.512 305 HD13 LEU 34 HD13 LEU 34 1.702 9.954 -5.471 306 HD21 LEU 34 HD21 LEU 34 4.724 7.384 -3.979 307 HD22 LEU 34 HD22 LEU 34 4.813 7.976 -5.635 308 HD23 LEU 34 HD23 LEU 34 3.567 6.816 -5.180 309 H GLU 35 HN GLU 35 5.036 11.633 -1.020 310 HA GLU 35 HA GLU 35 7.147 13.230 -2.229 311 HB2 GLU 35 HB2 GLU 35 5.140 14.335 -1.284 312 HB3 GLU 35 HB1 GLU 35 5.523 13.657 0.288 313 HG2 GLU 35 HG2 GLU 35 7.493 14.978 0.446 314 HG3 GLU 35 HG1 GLU 35 7.304 15.557 -1.211 315 H SER 36 HN SER 36 6.534 11.173 0.514 316 HA SER 36 HA SER 36 9.197 10.394 0.806 317 HB2 SER 36 HB2 SER 36 9.335 12.628 2.010 318 HB3 SER 36 HB1 SER 36 8.082 12.062 3.111 319 HG SER 36 HG SER 36 10.730 11.132 2.797 320 HA PRO 37 HA PRO 37 6.058 7.528 2.203 321 HB2 PRO 37 HB2 PRO 37 7.004 5.337 1.051 322 HB3 PRO 37 HB1 PRO 37 6.248 6.625 0.112 323 HG2 PRO 37 HG2 PRO 37 9.111 5.912 0.348 324 HG3 PRO 37 HG1 PRO 37 8.250 6.670 -0.997 325 HD2 PRO 37 HD2 PRO 37 9.824 7.950 1.001 326 HD3 PRO 37 HD1 PRO 37 8.842 8.715 -0.274 327 H ARG 38 HN ARG 38 9.048 7.912 3.383 328 HA ARG 38 HA ARG 38 9.148 5.405 4.810 329 HB2 ARG 38 HB2 ARG 38 10.882 7.866 4.986 330 HB3 ARG 38 HB1 ARG 38 11.032 6.526 6.105 331 HG2 ARG 38 HG2 ARG 38 11.525 5.041 4.177 332 HG3 ARG 38 HG1 ARG 38 11.508 6.467 3.131 333 HD2 ARG 38 HD2 ARG 38 13.337 7.448 4.311 334 HD3 ARG 38 HD1 ARG 38 13.251 6.220 5.567 335 HE ARG 38 HE ARG 38 13.992 5.583 2.797 336 HH11 ARG 38 HH11 ARG 38 14.626 5.414 6.314 337 HH12 ARG 38 HH12 ARG 38 15.959 4.381 6.187 338 HH21 ARG 38 HH21 ARG 38 15.895 4.114 2.634 339 HH22 ARG 38 HH22 ARG 38 16.709 3.663 4.053 340 H ILE 39 HN ILE 39 7.199 5.378 5.898 341 HA ILE 39 HA ILE 39 7.090 7.319 8.048 342 HB ILE 39 HB ILE 39 4.674 5.906 6.846 343 HG12 ILE 39 HG12 ILE 39 5.615 8.767 6.360 344 HG13 ILE 39 HG11 ILE 39 5.612 7.475 5.170 345 HG21 ILE 39 HG21 ILE 39 4.917 8.224 8.769 346 HG22 ILE 39 HG22 ILE 39 4.488 6.573 9.190 347 HG23 ILE 39 HG23 ILE 39 3.403 7.534 8.178 348 HD11 ILE 39 HD11 ILE 39 3.177 8.673 6.464 349 HD12 ILE 39 HD12 ILE 39 3.190 7.387 5.252 350 HD13 ILE 39 HD13 ILE 39 3.776 9.000 4.836 351 H GLU 40 HN GLU 40 8.371 5.967 9.236 352 HA GLU 40 HA GLU 40 7.589 3.231 9.437 353 HB2 GLU 40 HB2 GLU 40 9.474 2.982 11.040 354 HB3 GLU 40 HB1 GLU 40 9.912 3.441 9.400 355 HG2 GLU 40 HG2 GLU 40 10.438 5.634 10.127 356 HG3 GLU 40 HG1 GLU 40 9.714 5.339 11.716 357 H ALA 41 HN ALA 41 6.456 5.842 10.779 358 HA ALA 41 HA ALA 41 5.762 4.952 13.358 359 HB1 ALA 41 HB1 ALA 41 3.924 6.564 13.164 360 HB2 ALA 41 HB2 ALA 41 4.260 6.744 11.441 361 HB3 ALA 41 HB3 ALA 41 5.451 7.267 12.635 362 H ASN 42 HN ASN 42 4.750 4.039 10.155 363 HA ASN 42 HA ASN 42 2.601 2.359 11.256 364 HB2 ASN 42 HB2 ASN 42 2.976 3.593 8.524 365 HB3 ASN 42 HB1 ASN 42 1.716 2.426 8.900 366 HD21 ASN 42 HD21 ASN 42 1.831 5.344 8.189 367 HD22 ASN 42 HD22 ASN 42 0.803 6.113 9.362 368 H LYS 43 HN LYS 43 5.636 2.023 10.760 369 HA LYS 43 HA LYS 43 6.416 0.158 8.927 370 HB2 LYS 43 HB2 LYS 43 7.446 1.251 11.203 371 HB3 LYS 43 HB1 LYS 43 7.272 -0.436 11.659 372 HG2 LYS 43 HG2 LYS 43 8.677 -1.132 9.852 373 HG3 LYS 43 HG1 LYS 43 8.695 0.520 9.215 374 HD2 LYS 43 HD2 LYS 43 9.733 1.211 11.468 375 HD3 LYS 43 HD1 LYS 43 9.935 -0.499 11.758 376 HE2 LYS 43 HE2 LYS 43 11.458 -0.778 10.021 377 HE3 LYS 43 HE1 LYS 43 11.010 0.746 9.255 378 HZ1 LYS 43 HZ1 LYS 43 13.186 0.715 10.466 379 HZ2 LYS 43 HZ2 LYS 43 12.334 0.647 11.925 380 HZ3 LYS 43 HZ3 LYS 43 12.164 1.963 10.885 381 H LEU 44 HN LEU 44 6.085 -1.900 8.475 382 HA LEU 44 HA LEU 44 4.030 -3.371 9.812 383 HB2 LEU 44 HB2 LEU 44 4.375 -3.408 7.336 384 HB3 LEU 44 HB1 LEU 44 5.909 -4.202 7.580 385 HG LEU 44 HG LEU 44 4.717 -6.161 8.533 386 HD11 LEU 44 HD11 LEU 44 2.310 -6.343 8.269 387 HD12 LEU 44 HD12 LEU 44 2.235 -4.668 7.717 388 HD13 LEU 44 HD13 LEU 44 2.734 -5.032 9.367 389 HD21 LEU 44 HD21 LEU 44 3.742 -6.952 6.426 390 HD22 LEU 44 HD22 LEU 44 5.295 -6.158 6.173 391 HD23 LEU 44 HD23 LEU 44 3.794 -5.311 5.789 392 H ARG 45 HN ARG 45 4.395 -5.561 10.624 393 HA ARG 45 HA ARG 45 6.234 -5.465 12.715 394 HB2 ARG 45 HB2 ARG 45 4.121 -6.705 12.831 395 HB3 ARG 45 HB1 ARG 45 4.737 -7.866 11.666 396 HG2 ARG 45 HG2 ARG 45 4.883 -8.801 13.886 397 HG3 ARG 45 HG1 ARG 45 6.508 -8.498 13.276 398 HD2 ARG 45 HD2 ARG 45 6.568 -6.386 14.554 399 HD3 ARG 45 HD1 ARG 45 4.966 -6.749 15.195 400 HE ARG 45 HE ARG 45 6.806 -8.856 15.662 401 HH11 ARG 45 HH11 ARG 45 5.853 -5.686 16.904 402 HH12 ARG 45 HH12 ARG 45 6.391 -5.992 18.492 403 HH21 ARG 45 HH21 ARG 45 7.592 -9.248 17.802 404 HH22 ARG 45 HH22 ARG 45 7.419 -8.073 19.012 405 H GLY 46 HN GLY 46 6.318 -7.550 9.816 406 HA2 GLY 46 HA2 GLY 46 9.067 -8.230 10.612 407 HA3 GLY 46 HA1 GLY 46 8.018 -9.270 9.666 408 H MET 47 HN MET 47 8.023 -5.930 8.813 409 HA MET 47 HA MET 47 10.038 -6.347 6.736 410 HB2 MET 47 HB2 MET 47 7.203 -5.501 6.157 411 HB3 MET 47 HB1 MET 47 8.502 -5.442 4.985 412 HG2 MET 47 HG2 MET 47 7.372 -7.941 6.246 413 HG3 MET 47 HG1 MET 47 6.965 -7.320 4.649 414 HE1 MET 47 HE1 MET 47 9.005 -10.576 3.905 415 HE2 MET 47 HE2 MET 47 7.511 -9.693 3.602 416 HE3 MET 47 HE3 MET 47 7.865 -10.282 5.222 417 HA PRO 48 HA PRO 48 10.550 -2.265 8.727 418 HB2 PRO 48 HB2 PRO 48 13.037 -2.391 7.121 419 HB3 PRO 48 HB1 PRO 48 12.826 -2.015 8.834 420 HG2 PRO 48 HG2 PRO 48 13.802 -4.364 8.096 421 HG3 PRO 48 HG1 PRO 48 12.651 -4.248 9.439 422 HD2 PRO 48 HD2 PRO 48 12.192 -5.143 6.620 423 HD3 PRO 48 HD1 PRO 48 11.551 -5.802 8.139 424 H ASP 49 HN ASP 49 10.928 -2.975 5.271 425 HA ASP 49 HA ASP 49 10.652 -0.118 4.657 426 HB2 ASP 49 HB2 ASP 49 11.241 -2.421 2.776 427 HB3 ASP 49 HB1 ASP 49 11.105 -0.737 2.302 428 H CYS 50 HN CYS 50 8.582 -2.391 5.375 429 HA CYS 50 HA CYS 50 6.670 -1.545 3.331 430 HB2 CYS 50 HB2 CYS 50 7.161 -4.020 3.433 431 HB3 CYS 50 HB1 CYS 50 6.561 -3.997 5.089 432 HG CYS 50 HG CYS 50 4.480 -2.747 2.837 433 H TYR 51 HN TYR 51 4.800 -0.625 4.064 434 HA TYR 51 HA TYR 51 4.544 -0.251 6.947 435 HB2 TYR 51 HB2 TYR 51 4.230 1.966 4.893 436 HB3 TYR 51 HB1 TYR 51 4.175 2.126 6.647 437 HD1 TYR 51 HD2 TYR 51 6.291 1.796 7.952 438 HD2 TYR 51 HD1 TYR 51 6.292 2.030 3.725 439 HE1 TYR 51 HE2 TYR 51 8.727 2.174 7.971 440 HE2 TYR 51 HE1 TYR 51 8.721 2.406 3.746 441 HH TYR 51 HH TYR 51 10.592 1.859 6.468 442 H LYS 52 HN LYS 52 2.404 -0.070 7.588 443 HA LYS 52 HA LYS 52 0.468 -0.492 5.478 444 HB2 LYS 52 HB2 LYS 52 -0.793 -2.045 6.943 445 HB3 LYS 52 HB1 LYS 52 0.806 -2.645 6.579 446 HG2 LYS 52 HG2 LYS 52 0.508 -3.181 8.835 447 HG3 LYS 52 HG1 LYS 52 1.448 -1.693 8.910 448 HD2 LYS 52 HD2 LYS 52 -0.726 -0.457 9.134 449 HD3 LYS 52 HD1 LYS 52 -1.518 -2.019 9.300 450 HE2 LYS 52 HE2 LYS 52 0.709 -1.081 11.085 451 HE3 LYS 52 HE1 LYS 52 -1.002 -0.785 11.384 452 HZ1 LYS 52 HZ1 LYS 52 0.308 -3.501 11.261 453 HZ2 LYS 52 HZ2 LYS 52 -1.344 -3.208 11.512 454 HZ3 LYS 52 HZ3 LYS 52 -0.238 -2.677 12.613 455 H ILE 53 HN ILE 53 -0.973 0.920 5.297 456 HA ILE 53 HA ILE 53 -1.508 2.657 7.580 457 HB ILE 53 HB ILE 53 -2.042 3.158 4.620 458 HG12 ILE 53 HG12 ILE 53 0.123 4.265 6.442 459 HG13 ILE 53 HG11 ILE 53 0.350 3.132 5.128 460 HG21 ILE 53 HG21 ILE 53 -2.529 5.474 5.314 461 HG22 ILE 53 HG22 ILE 53 -2.297 5.016 7.000 462 HG23 ILE 53 HG23 ILE 53 -3.635 4.331 6.078 463 HD11 ILE 53 HD11 ILE 53 -0.608 5.972 4.816 464 HD12 ILE 53 HD12 ILE 53 -0.323 4.815 3.512 465 HD13 ILE 53 HD13 ILE 53 1.025 5.387 4.497 466 H LYS 54 HN LYS 54 -3.530 2.658 8.379 467 HA LYS 54 HA LYS 54 -5.522 1.119 6.929 468 HB2 LYS 54 HB2 LYS 54 -6.315 0.232 9.132 469 HB3 LYS 54 HB1 LYS 54 -4.769 -0.395 8.594 470 HG2 LYS 54 HG2 LYS 54 -4.473 -0.029 10.866 471 HG3 LYS 54 HG1 LYS 54 -3.726 1.356 10.075 472 HD2 LYS 54 HD2 LYS 54 -4.918 2.311 11.875 473 HD3 LYS 54 HD1 LYS 54 -5.942 2.579 10.476 474 HE2 LYS 54 HE2 LYS 54 -6.278 0.452 12.588 475 HE3 LYS 54 HE1 LYS 54 -7.265 1.899 12.367 476 HZ1 LYS 54 HZ1 LYS 54 -8.058 0.926 10.240 477 HZ2 LYS 54 HZ2 LYS 54 -8.383 -0.031 11.571 478 HZ3 LYS 54 HZ3 LYS 54 -7.141 -0.471 10.570 479 H LEU 55 HN LEU 55 -7.510 1.791 6.948 480 HA LEU 55 HA LEU 55 -7.891 4.537 7.683 481 HB2 LEU 55 HB2 LEU 55 -9.761 2.522 6.427 482 HB3 LEU 55 HB1 LEU 55 -10.095 4.234 6.602 483 HG LEU 55 HG LEU 55 -7.878 3.060 4.911 484 HD11 LEU 55 HD11 LEU 55 -10.509 4.271 4.095 485 HD12 LEU 55 HD12 LEU 55 -10.055 2.570 3.976 486 HD13 LEU 55 HD13 LEU 55 -9.215 3.773 3.003 487 HD21 LEU 55 HD21 LEU 55 -8.849 5.907 5.196 488 HD22 LEU 55 HD22 LEU 55 -7.659 5.340 4.026 489 HD23 LEU 55 HD23 LEU 55 -7.299 5.267 5.749 490 H ARG 56 HN ARG 56 -9.341 5.246 9.205 491 HA ARG 56 HA ARG 56 -9.434 3.623 11.508 492 HB2 ARG 56 HB2 ARG 56 -9.108 6.045 11.588 493 HB3 ARG 56 HB1 ARG 56 -10.718 6.284 10.941 494 HG2 ARG 56 HG2 ARG 56 -11.721 5.465 12.945 495 HG3 ARG 56 HG1 ARG 56 -10.152 4.971 13.587 496 HD2 ARG 56 HD2 ARG 56 -10.955 7.806 12.921 497 HD3 ARG 56 HD1 ARG 56 -10.919 7.123 14.543 498 HE ARG 56 HE ARG 56 -8.436 6.637 13.682 499 HH11 ARG 56 HH11 ARG 56 -10.311 9.633 13.705 500 HH12 ARG 56 HH12 ARG 56 -8.974 10.653 13.801 501 HH21 ARG 56 HH21 ARG 56 -6.573 8.037 13.856 502 HH22 ARG 56 HH22 ARG 56 -6.770 9.714 13.874 503 H SER 57 HN SER 57 -12.215 5.163 9.854 504 HA SER 57 HA SER 57 -13.882 3.186 11.132 505 HB2 SER 57 HB2 SER 57 -14.611 5.635 9.543 506 HB3 SER 57 HB1 SER 57 -15.714 4.655 10.520 507 HG SER 57 HG SER 57 -14.235 5.088 12.287 508 H SER 58 HN SER 58 -12.551 3.663 7.992 509 HA SER 58 HA SER 58 -14.649 2.362 6.569 510 HB2 SER 58 HB2 SER 58 -11.782 2.690 5.706 511 HB3 SER 58 HB1 SER 58 -13.192 2.462 4.672 512 HG SER 58 HG SER 58 -13.818 4.537 6.060 513 H GLY 59 HN GLY 59 -11.635 1.251 8.086 514 HA2 GLY 59 HA2 GLY 59 -11.261 -0.903 8.885 515 HA3 GLY 59 HA1 GLY 59 -12.608 -1.490 7.915 516 H TYR 60 HN TYR 60 -11.219 0.128 5.675 517 HA TYR 60 HA TYR 60 -9.765 -2.122 4.644 518 HB2 TYR 60 HB2 TYR 60 -10.355 0.586 3.456 519 HB3 TYR 60 HB1 TYR 60 -9.475 -0.686 2.618 520 HD1 TYR 60 HD2 TYR 60 -12.752 0.212 4.083 521 HD2 TYR 60 HD1 TYR 60 -10.624 -2.461 1.574 522 HE1 TYR 60 HE2 TYR 60 -14.869 -0.706 3.283 523 HE2 TYR 60 HE1 TYR 60 -12.735 -3.386 0.756 524 HH TYR 60 HH TYR 60 -15.754 -1.909 1.458 525 H ARG 61 HN ARG 61 -7.640 -1.707 3.519 526 HA ARG 61 HA ARG 61 -5.835 -0.023 5.128 527 HB2 ARG 61 HB2 ARG 61 -5.468 -2.932 4.466 528 HB3 ARG 61 HB1 ARG 61 -4.371 -1.905 5.372 529 HG2 ARG 61 HG2 ARG 61 -5.890 -1.775 7.195 530 HG3 ARG 61 HG1 ARG 61 -7.150 -2.586 6.253 531 HD2 ARG 61 HD2 ARG 61 -5.838 -4.545 6.104 532 HD3 ARG 61 HD1 ARG 61 -4.496 -3.788 6.962 533 HE ARG 61 HE ARG 61 -7.085 -4.565 8.091 534 HH11 ARG 61 HH11 ARG 61 -3.776 -3.396 8.582 535 HH12 ARG 61 HH12 ARG 61 -3.804 -3.644 10.271 536 HH21 ARG 61 HH21 ARG 61 -7.102 -4.909 10.424 537 HH22 ARG 61 HH22 ARG 61 -5.716 -4.486 11.321 538 H LEU 62 HN LEU 62 -3.715 -0.001 4.052 539 HA LEU 62 HA LEU 62 -3.470 -1.111 1.434 540 HB2 LEU 62 HB2 LEU 62 -4.385 1.169 1.066 541 HB3 LEU 62 HB1 LEU 62 -3.068 1.844 2.000 542 HG LEU 62 HG LEU 62 -2.500 0.288 -0.520 543 HD11 LEU 62 HD11 LEU 62 -3.174 3.230 -0.324 544 HD12 LEU 62 HD12 LEU 62 -4.185 1.994 -1.072 545 HD13 LEU 62 HD13 LEU 62 -2.615 2.380 -1.767 546 HD21 LEU 62 HD21 LEU 62 -0.541 1.747 -0.597 547 HD22 LEU 62 HD22 LEU 62 -0.618 0.896 0.945 548 HD23 LEU 62 HD23 LEU 62 -1.091 2.592 0.849 549 H VAL 63 HN VAL 63 -1.634 -2.057 1.384 550 HA VAL 63 HA VAL 63 0.407 -1.450 3.403 551 HB VAL 63 HB VAL 63 -0.257 -4.103 2.083 552 HG11 VAL 63 HG11 VAL 63 2.049 -3.993 2.712 553 HG12 VAL 63 HG12 VAL 63 1.189 -5.091 3.798 554 HG13 VAL 63 HG13 VAL 63 1.624 -3.472 4.346 555 HG21 VAL 63 HG21 VAL 63 -0.975 -3.083 4.831 556 HG22 VAL 63 HG22 VAL 63 -1.123 -4.759 4.365 557 HG23 VAL 63 HG23 VAL 63 -2.081 -3.528 3.534 558 H TYR 64 HN TYR 64 2.157 -0.597 2.458 559 HA TYR 64 HA TYR 64 2.754 -1.405 -0.301 560 HB2 TYR 64 HB2 TYR 64 3.460 0.867 -0.846 561 HB3 TYR 64 HB1 TYR 64 1.802 0.889 -0.257 562 HD1 TYR 64 HD2 TYR 64 1.331 1.778 2.038 563 HD2 TYR 64 HD1 TYR 64 5.195 2.056 0.275 564 HE1 TYR 64 HE2 TYR 64 1.966 3.479 3.698 565 HE2 TYR 64 HE1 TYR 64 5.834 3.746 1.930 566 HH TYR 64 HH TYR 64 4.919 5.283 3.443 567 H GLN 65 HN GLN 65 5.049 -0.836 -0.882 568 HA GLN 65 HA GLN 65 6.845 -1.109 1.402 569 HB2 GLN 65 HB2 GLN 65 6.444 -3.291 0.173 570 HB3 GLN 65 HB1 GLN 65 7.120 -2.517 -1.252 571 HG2 GLN 65 HG2 GLN 65 9.234 -2.166 -0.005 572 HG3 GLN 65 HG1 GLN 65 8.547 -3.060 1.349 573 HE21 GLN 65 HE21 GLN 65 8.022 -3.814 -2.001 574 HE22 GLN 65 HE22 GLN 65 8.877 -5.315 -2.009 575 H VAL 66 HN VAL 66 8.670 0.067 1.156 576 HA VAL 66 HA VAL 66 8.611 2.011 -1.017 577 HB VAL 66 HB VAL 66 10.145 2.056 1.598 578 HG11 VAL 66 HG11 VAL 66 9.928 4.161 -0.563 579 HG12 VAL 66 HG12 VAL 66 11.387 3.261 -0.141 580 HG13 VAL 66 HG13 VAL 66 10.674 4.392 1.017 581 HG21 VAL 66 HG21 VAL 66 7.774 2.347 1.879 582 HG22 VAL 66 HG22 VAL 66 7.759 3.557 0.606 583 HG23 VAL 66 HG23 VAL 66 8.593 3.896 2.125 584 H ILE 67 HN ILE 67 9.879 1.658 -2.666 585 HA ILE 67 HA ILE 67 12.315 0.078 -2.291 586 HB ILE 67 HB ILE 67 10.917 0.771 -4.893 587 HG12 ILE 67 HG12 ILE 67 10.684 -1.769 -3.241 588 HG13 ILE 67 HG11 ILE 67 9.411 -0.582 -3.479 589 HG21 ILE 67 HG21 ILE 67 13.304 0.140 -5.026 590 HG22 ILE 67 HG22 ILE 67 12.273 -1.076 -5.783 591 HG23 ILE 67 HG23 ILE 67 12.945 -1.363 -4.178 592 HD11 ILE 67 HD11 ILE 67 10.657 -2.293 -5.621 593 HD12 ILE 67 HD12 ILE 67 9.363 -1.120 -5.865 594 HD13 ILE 67 HD13 ILE 67 9.084 -2.550 -4.868 595 H ASP 68 HN ASP 68 14.059 1.339 -2.116 596 HA ASP 68 HA ASP 68 13.913 4.137 -2.827 597 HB2 ASP 68 HB2 ASP 68 14.955 3.473 -0.709 598 HB3 ASP 68 HB1 ASP 68 16.183 2.571 -1.594 599 H GLU 69 HN GLU 69 15.590 1.278 -3.966 600 HA GLU 69 HA GLU 69 17.339 2.649 -5.709 601 HB2 GLU 69 HB2 GLU 69 17.713 0.399 -6.770 602 HB3 GLU 69 HB1 GLU 69 17.998 0.451 -5.044 603 HG2 GLU 69 HG2 GLU 69 15.370 -0.504 -6.113 604 HG3 GLU 69 HG1 GLU 69 16.767 -1.570 -6.111 605 H LYS 70 HN LYS 70 14.186 1.278 -6.109 606 HA LYS 70 HA LYS 70 14.115 1.957 -8.944 607 HB2 LYS 70 HB2 LYS 70 12.105 0.716 -7.100 608 HB3 LYS 70 HB1 LYS 70 11.698 1.151 -8.743 609 HG2 LYS 70 HG2 LYS 70 13.458 -0.398 -9.523 610 HG3 LYS 70 HG1 LYS 70 13.738 -0.870 -7.842 611 HD2 LYS 70 HD2 LYS 70 11.425 -1.616 -7.632 612 HD3 LYS 70 HD1 LYS 70 11.088 -1.059 -9.265 613 HE2 LYS 70 HE2 LYS 70 12.620 -2.709 -10.165 614 HE3 LYS 70 HE1 LYS 70 13.024 -3.255 -8.538 615 HZ1 LYS 70 HZ1 LYS 70 10.761 -3.986 -8.235 616 HZ2 LYS 70 HZ2 LYS 70 11.325 -4.650 -9.685 617 HZ3 LYS 70 HZ3 LYS 70 10.300 -3.331 -9.708 618 H VAL 71 HN VAL 71 13.449 3.402 -6.005 619 HA VAL 71 HA VAL 71 12.402 5.227 -5.238 620 HB VAL 71 HB VAL 71 12.301 6.344 -8.044 621 HG11 VAL 71 HG11 VAL 71 12.736 7.632 -5.374 622 HG12 VAL 71 HG12 VAL 71 11.229 7.572 -6.271 623 HG13 VAL 71 HG13 VAL 71 12.606 8.486 -6.923 624 HG21 VAL 71 HG21 VAL 71 14.541 7.216 -7.758 625 HG22 VAL 71 HG22 VAL 71 14.526 5.443 -7.760 626 HG23 VAL 71 HG23 VAL 71 14.701 6.329 -6.234 627 H VAL 72 HN VAL 72 10.584 3.575 -5.110 628 HA VAL 72 HA VAL 72 8.288 4.772 -6.325 629 HB VAL 72 HB VAL 72 9.126 3.296 -8.102 630 HG11 VAL 72 HG11 VAL 72 8.653 1.050 -6.170 631 HG12 VAL 72 HG12 VAL 72 10.203 1.593 -6.816 632 HG13 VAL 72 HG13 VAL 72 9.006 0.867 -7.891 633 HG21 VAL 72 HG21 VAL 72 7.052 2.104 -8.556 634 HG22 VAL 72 HG22 VAL 72 6.761 3.744 -7.974 635 HG23 VAL 72 HG23 VAL 72 6.541 2.370 -6.889 636 H VAL 73 HN VAL 73 6.438 4.363 -5.280 637 HA VAL 73 HA VAL 73 6.534 2.815 -2.843 638 HB VAL 73 HB VAL 73 4.391 4.605 -4.042 639 HG11 VAL 73 HG11 VAL 73 4.539 3.361 -1.297 640 HG12 VAL 73 HG12 VAL 73 3.424 2.900 -2.583 641 HG13 VAL 73 HG13 VAL 73 3.311 4.501 -1.846 642 HG21 VAL 73 HG21 VAL 73 6.376 5.811 -3.416 643 HG22 VAL 73 HG22 VAL 73 6.328 5.105 -1.796 644 HG23 VAL 73 HG23 VAL 73 5.046 6.204 -2.327 645 H PHE 74 HN PHE 74 6.384 0.756 -3.384 646 HA PHE 74 HA PHE 74 4.555 -0.028 -5.497 647 HB2 PHE 74 HB2 PHE 74 6.826 -0.836 -5.755 648 HB3 PHE 74 HB1 PHE 74 6.814 -1.499 -4.135 649 HD1 PHE 74 HD1 PHE 74 4.096 -1.828 -6.635 650 HD2 PHE 74 HD2 PHE 74 7.316 -3.735 -4.616 651 HE1 PHE 74 HE1 PHE 74 3.389 -3.984 -7.543 652 HE2 PHE 74 HE2 PHE 74 6.603 -5.898 -5.520 653 HZ PHE 74 HZ PHE 74 4.626 -6.020 -6.983 654 H VAL 75 HN VAL 75 2.631 -0.148 -4.673 655 HA VAL 75 HA VAL 75 2.076 -1.078 -2.045 656 HB VAL 75 HB VAL 75 0.135 -0.669 -4.322 657 HG11 VAL 75 HG11 VAL 75 -0.287 -0.730 -1.341 658 HG12 VAL 75 HG12 VAL 75 -0.779 -1.972 -2.490 659 HG13 VAL 75 HG13 VAL 75 -1.519 -0.370 -2.549 660 HG21 VAL 75 HG21 VAL 75 -0.251 1.569 -3.377 661 HG22 VAL 75 HG22 VAL 75 1.403 1.363 -3.953 662 HG23 VAL 75 HG23 VAL 75 1.062 1.300 -2.225 663 H ILE 76 HN ILE 76 1.747 -3.072 -1.428 664 HA ILE 76 HA ILE 76 1.987 -5.195 -3.401 665 HB ILE 76 HB ILE 76 1.991 -5.425 -0.389 666 HG12 ILE 76 HG12 ILE 76 3.786 -3.888 -1.227 667 HG13 ILE 76 HG11 ILE 76 4.435 -5.306 -0.434 668 HG21 ILE 76 HG21 ILE 76 2.934 -7.256 -2.587 669 HG22 ILE 76 HG22 ILE 76 1.573 -7.532 -1.497 670 HG23 ILE 76 HG23 ILE 76 3.224 -7.543 -0.879 671 HD11 ILE 76 HD11 ILE 76 4.249 -4.812 -3.396 672 HD12 ILE 76 HD12 ILE 76 4.855 -6.290 -2.648 673 HD13 ILE 76 HD13 ILE 76 5.704 -4.766 -2.399 674 H SER 77 HN SER 77 -0.167 -4.148 -0.750 675 HA SER 77 HA SER 77 -2.276 -5.708 -1.993 676 HB2 SER 77 HB2 SER 77 -1.513 -5.965 0.926 677 HB3 SER 77 HB1 SER 77 -2.907 -6.726 0.149 678 HG SER 77 HG SER 77 -0.708 -7.237 -1.254 679 H VAL 78 HN VAL 78 -4.385 -5.012 -1.367 680 HA VAL 78 HA VAL 78 -4.624 -2.584 0.206 681 HB VAL 78 HB VAL 78 -5.858 -2.929 -2.572 682 HG11 VAL 78 HG11 VAL 78 -7.203 -1.613 -1.073 683 HG12 VAL 78 HG12 VAL 78 -6.551 -0.607 -2.366 684 HG13 VAL 78 HG13 VAL 78 -5.841 -0.543 -0.750 685 HG21 VAL 78 HG21 VAL 78 -3.598 -1.082 -1.833 686 HG22 VAL 78 HG22 VAL 78 -4.425 -1.134 -3.391 687 HG23 VAL 78 HG23 VAL 78 -3.469 -2.517 -2.850 688 H GLY 79 HN GLY 79 -6.748 -2.651 1.170 689 HA2 GLY 79 HA2 GLY 79 -9.045 -3.383 0.678 690 HA3 GLY 79 HA1 GLY 79 -8.353 -4.959 0.315 691 H LYS 80 HN LYS 80 -9.348 -6.109 1.865 692 HA LYS 80 HA LYS 80 -9.046 -5.085 4.572 693 HB2 LYS 80 HB2 LYS 80 -11.259 -6.710 3.381 694 HB3 LYS 80 HB1 LYS 80 -11.034 -6.580 5.119 695 HG2 LYS 80 HG2 LYS 80 -11.262 -4.149 4.974 696 HG3 LYS 80 HG1 LYS 80 -11.458 -4.270 3.233 697 HD2 LYS 80 HD2 LYS 80 -13.313 -5.499 5.276 698 HD3 LYS 80 HD1 LYS 80 -13.592 -3.967 4.455 699 HE2 LYS 80 HE2 LYS 80 -13.556 -5.137 2.292 700 HE3 LYS 80 HE1 LYS 80 -13.361 -6.674 3.132 701 HZ1 LYS 80 HZ1 LYS 80 -15.505 -6.353 4.175 702 HZ2 LYS 80 HZ2 LYS 80 -15.687 -6.238 2.516 703 HZ3 LYS 80 HZ3 LYS 80 -15.678 -4.849 3.462 704 H ALA 81 HN ALA 81 -7.258 -5.918 5.211 705 HA ALA 81 HA ALA 81 -7.015 -8.828 5.346 706 HB1 ALA 81 HB1 ALA 81 -4.809 -8.329 6.389 707 HB2 ALA 81 HB2 ALA 81 -5.152 -6.606 6.248 708 HB3 ALA 81 HB3 ALA 81 -4.956 -7.590 4.795 709 H GLU 82 HN GLU 82 -7.151 -9.793 7.457 710 HA GLU 82 HA GLU 82 -8.545 -7.955 9.248 711 HB2 GLU 82 HB2 GLU 82 -10.103 -9.804 9.774 712 HB3 GLU 82 HB1 GLU 82 -10.189 -9.237 8.116 713 HG2 GLU 82 HG2 GLU 82 -8.637 -11.204 7.562 714 HG3 GLU 82 HG1 GLU 82 -9.061 -11.821 9.154 715 H ALA 83 HN ALA 83 -8.894 -8.964 11.419 716 HA ALA 83 HA ALA 83 -6.674 -10.653 12.305 717 HB1 ALA 83 HB1 ALA 83 -6.400 -9.184 14.266 718 HB2 ALA 83 HB2 ALA 83 -7.523 -8.029 13.528 719 HB3 ALA 83 HB3 ALA 83 -5.969 -8.385 12.753 720 H SER 84 HN SER 84 -9.401 -11.122 11.703 721 HA SER 84 HA SER 84 -10.988 -11.151 14.065 722 HB2 SER 84 HB2 SER 84 -12.386 -12.525 12.405 723 HB3 SER 84 HB1 SER 84 -12.053 -10.832 11.979 724 HG SER 84 HG SER 84 -11.459 -12.059 10.165 725 H GLU 85 HN GLU 85 -9.582 -13.535 11.912 726 HA GLU 85 HA GLU 85 -9.290 -15.465 14.105 727 HB2 GLU 85 HB2 GLU 85 -10.023 -17.281 12.549 728 HB3 GLU 85 HB1 GLU 85 -11.290 -16.170 13.041 729 HG2 GLU 85 HG2 GLU 85 -11.224 -15.070 10.907 730 HG3 GLU 85 HG1 GLU 85 -9.823 -16.020 10.417 731 H VAL 86 HN VAL 86 -7.357 -13.781 12.812 732 HA VAL 86 HA VAL 86 -5.792 -15.504 11.150 733 HB VAL 86 HB VAL 86 -5.115 -12.856 12.489 734 HG11 VAL 86 HG11 VAL 86 -3.136 -12.765 11.057 735 HG12 VAL 86 HG12 VAL 86 -3.513 -14.362 10.413 736 HG13 VAL 86 HG13 VAL 86 -3.067 -14.179 12.108 737 HG21 VAL 86 HG21 VAL 86 -5.330 -11.955 10.231 738 HG22 VAL 86 HG22 VAL 86 -6.823 -12.720 10.773 739 HG23 VAL 86 HG23 VAL 86 -5.764 -13.557 9.638 740 H TYR 87 HN TYR 87 -6.195 -14.763 14.466 741 HA TYR 87 HA TYR 87 -3.838 -15.882 15.544 742 HB2 TYR 87 HB2 TYR 87 -4.886 -15.700 17.691 743 HB3 TYR 87 HB1 TYR 87 -5.463 -14.332 16.753 744 HD1 TYR 87 HD2 TYR 87 -7.818 -14.603 15.651 745 HD2 TYR 87 HD1 TYR 87 -6.401 -17.116 18.775 746 HE1 TYR 87 HE2 TYR 87 -10.110 -15.255 16.158 747 HE2 TYR 87 HE1 TYR 87 -8.713 -17.785 19.279 748 HH TYR 87 HH TYR 87 -11.259 -17.075 17.148 749 H SER 88 HN SER 88 -6.646 -17.290 14.167 750 HA SER 88 HA SER 88 -6.603 -19.731 15.583 751 HB2 SER 88 HB2 SER 88 -7.733 -19.124 12.845 752 HB3 SER 88 HB1 SER 88 -8.179 -20.471 13.897 753 HG SER 88 HG SER 88 -9.567 -19.186 14.740 754 H GLU 89 HN GLU 89 -4.629 -18.394 13.131 755 HA GLU 89 HA GLU 89 -3.734 -20.951 12.096 756 HB2 GLU 89 HB2 GLU 89 -2.747 -18.139 11.603 757 HB3 GLU 89 HB1 GLU 89 -2.141 -19.570 10.780 758 HG2 GLU 89 HG2 GLU 89 -4.940 -18.483 10.648 759 HG3 GLU 89 HG1 GLU 89 -3.712 -18.364 9.388 760 H ALA 90 HN ALA 90 -3.137 -19.048 14.768 761 HA ALA 90 HA ALA 90 -0.522 -20.280 15.154 762 HB1 ALA 90 HB1 ALA 90 -0.243 -17.867 14.777 763 HB2 ALA 90 HB2 ALA 90 0.155 -18.301 16.440 764 HB3 ALA 90 HB3 ALA 90 -1.391 -17.541 16.072 765 H VAL 91 HN VAL 91 -1.208 -21.938 16.379 766 HA VAL 91 HA VAL 91 -3.201 -21.695 18.360 767 HB VAL 91 HB VAL 91 -2.412 -23.862 19.233 768 HG11 VAL 91 HG11 VAL 91 -2.912 -25.196 17.190 769 HG12 VAL 91 HG12 VAL 91 -2.728 -23.733 16.222 770 HG13 VAL 91 HG13 VAL 91 -4.025 -23.851 17.414 771 HG21 VAL 91 HG21 VAL 91 -0.632 -25.085 17.919 772 HG22 VAL 91 HG22 VAL 91 -0.050 -23.730 18.884 773 HG23 VAL 91 HG23 VAL 91 -0.258 -23.545 17.144 774 H LYS 92 HN LYS 92 -2.903 -21.914 20.668 775 HA LYS 92 HA LYS 92 -1.020 -19.876 21.416 776 HB2 LYS 92 HB2 LYS 92 -3.054 -21.298 23.133 777 HB3 LYS 92 HB1 LYS 92 -2.197 -19.809 23.541 778 HG2 LYS 92 HG2 LYS 92 -3.192 -18.715 21.593 779 HG3 LYS 92 HG1 LYS 92 -4.090 -20.185 21.243 780 HD2 LYS 92 HD2 LYS 92 -5.205 -19.984 23.408 781 HD3 LYS 92 HD1 LYS 92 -4.342 -18.468 23.701 782 HE2 LYS 92 HE2 LYS 92 -5.300 -17.610 21.554 783 HE3 LYS 92 HE1 LYS 92 -6.258 -19.086 21.480 784 HZ1 LYS 92 HZ1 LYS 92 -7.309 -18.458 23.579 785 HZ2 LYS 92 HZ2 LYS 92 -7.545 -17.275 22.425 786 HZ3 LYS 92 HZ3 LYS 92 -6.398 -17.037 23.638 787 H ARG 93 HN ARG 93 -1.765 -22.938 23.085 788 HA ARG 93 HA ARG 93 1.067 -23.399 23.017 789 HB2 ARG 93 HB2 ARG 93 1.083 -24.245 25.376 790 HB3 ARG 93 HB1 ARG 93 0.891 -22.513 25.203 791 HG2 ARG 93 HG2 ARG 93 -1.463 -22.692 25.697 792 HG3 ARG 93 HG1 ARG 93 -1.339 -24.454 25.771 793 HD2 ARG 93 HD2 ARG 93 0.153 -22.521 27.532 794 HD3 ARG 93 HD1 ARG 93 -1.285 -23.420 28.022 795 HE ARG 93 HE ARG 93 0.020 -25.450 27.604 796 HH11 ARG 93 HH11 ARG 93 1.690 -22.450 28.460 797 HH12 ARG 93 HH12 ARG 93 3.121 -23.209 28.972 798 HH21 ARG 93 HH21 ARG 93 1.980 -26.507 28.347 799 HH22 ARG 93 HH22 ARG 93 3.279 -25.588 28.947 800 H ILE 94 HN ILE 94 0.641 -24.682 21.386 801 HA ILE 94 HA ILE 94 -0.067 -27.401 22.161 802 HB ILE 94 HB ILE 94 -0.926 -26.045 19.575 803 HG12 ILE 94 HG12 ILE 94 -2.420 -25.478 21.472 804 HG13 ILE 94 HG11 ILE 94 -3.242 -26.400 20.224 805 HG21 ILE 94 HG21 ILE 94 -2.002 -28.162 18.961 806 HG22 ILE 94 HG22 ILE 94 -1.325 -28.910 20.405 807 HG23 ILE 94 HG23 ILE 94 -0.253 -28.318 19.135 808 HD11 ILE 94 HD11 ILE 94 -3.917 -27.120 22.436 809 HD12 ILE 94 HD12 ILE 94 -2.240 -27.439 22.864 810 HD13 ILE 94 HD13 ILE 94 -3.033 -28.416 21.625 811 H LEU 95 HN LEU 95 2.008 -28.008 22.189 812 HA LEU 95 HA LEU 95 4.029 -28.703 21.497 813 HB2 LEU 95 HB2 LEU 95 2.950 -28.281 18.696 814 HB3 LEU 95 HB1 LEU 95 4.388 -29.187 19.103 815 HG LEU 95 HG LEU 95 1.562 -29.941 19.853 816 HD11 LEU 95 HD11 LEU 95 1.867 -31.772 18.275 817 HD12 LEU 95 HD12 LEU 95 3.448 -31.129 17.829 818 HD13 LEU 95 HD13 LEU 95 1.989 -30.203 17.482 819 HD21 LEU 95 HD21 LEU 95 4.157 -31.425 20.274 820 HD22 LEU 95 HD22 LEU 95 2.543 -32.046 20.620 821 HD23 LEU 95 HD23 LEU 95 3.173 -30.681 21.534 822 H LYS 47 H LYS 47 1.165 6.651 19.735 823 HA LYS 47 HA LYS 47 -1.009 4.638 19.822 824 HB2 LYS 47 HB2 LYS 47 -0.978 7.358 18.498 825 HB3 LYS 47 HB1 LYS 47 -2.263 6.179 18.353 826 HG2 LYS 47 HG2 LYS 47 -1.420 7.486 20.933 827 HG3 LYS 47 HG1 LYS 47 -2.795 7.975 19.948 828 HD2 LYS 47 HD2 LYS 47 -3.825 5.796 20.269 829 HD3 LYS 47 HD1 LYS 47 -2.447 5.249 21.218 830 HE2 LYS 47 HE2 LYS 47 -2.911 7.104 22.820 831 HE3 LYS 47 HE1 LYS 47 -4.358 7.474 21.894 832 HZ1 LYS 47 HZ1 LYS 47 -3.814 4.894 23.261 833 HZ2 LYS 47 HZ2 LYS 47 -5.195 5.256 22.371 834 HZ3 LYS 47 HZ3 LYS 47 -4.863 6.101 23.795 835 H GLN 48 HN GLN 48 1.587 6.085 17.919 836 HA GLN 48 HA GLN 48 0.876 4.651 15.584 837 HB2 GLN 48 HB2 GLN 48 3.329 6.215 16.375 838 HB3 GLN 48 HB1 GLN 48 3.286 5.289 14.884 839 HG2 GLN 48 HG2 GLN 48 2.799 7.606 14.418 840 HG3 GLN 48 HG1 GLN 48 1.343 6.648 14.150 841 HE21 GLN 48 HE21 GLN 48 0.003 8.379 14.379 842 HE22 GLN 48 HE22 GLN 48 -0.265 9.178 15.886 843 H THR 49 HN THR 49 2.922 3.306 14.587 844 HA THR 49 HA THR 49 3.512 1.232 14.428 845 HB THR 49 HB THR 49 5.029 0.281 16.221 846 HG1 THR 49 HG1 THR 49 3.946 2.324 17.665 847 HG21 THR 49 HG21 THR 49 6.821 1.929 15.921 848 HG22 THR 49 HG22 THR 49 5.639 3.096 15.332 849 HG23 THR 49 HG23 THR 49 5.950 1.616 14.420 850 H LEU 50 HN LEU 50 0.999 1.482 14.902 851 HA LEU 50 HA LEU 50 0.091 -0.236 16.995 852 HB2 LEU 50 HB2 LEU 50 -1.164 1.701 16.219 853 HB3 LEU 50 HB1 LEU 50 -1.369 0.936 14.661 854 HG LEU 50 HG LEU 50 -2.773 -0.796 15.598 855 HD11 LEU 50 HD11 LEU 50 -2.234 0.505 18.281 856 HD12 LEU 50 HD12 LEU 50 -1.648 -1.083 17.775 857 HD13 LEU 50 HD13 LEU 50 -3.374 -0.801 17.978 858 HD21 LEU 50 HD21 LEU 50 -3.789 1.305 15.026 859 HD22 LEU 50 HD22 LEU 50 -3.397 1.893 16.650 860 HD23 LEU 50 HD23 LEU 50 -4.589 0.593 16.451 861 H LEU 51 HN LEU 51 1.278 -2.031 16.492 862 HA LEU 51 HA LEU 51 0.278 -3.506 14.213 863 HB2 LEU 51 HB2 LEU 51 2.411 -4.879 14.467 864 HB3 LEU 51 HB1 LEU 51 2.567 -3.267 13.824 865 HG LEU 51 HG LEU 51 3.310 -2.528 16.118 866 HD11 LEU 51 HD11 LEU 51 2.472 -4.381 17.443 867 HD12 LEU 51 HD12 LEU 51 4.227 -4.256 17.612 868 HD13 LEU 51 HD13 LEU 51 3.522 -5.498 16.577 869 HD21 LEU 51 HD21 LEU 51 4.868 -2.825 14.301 870 HD22 LEU 51 HD22 LEU 51 4.972 -4.552 14.638 871 HD23 LEU 51 HD23 LEU 51 5.594 -3.388 15.809 872 H SER 52 HN SER 52 -0.175 -5.671 14.478 873 HA SER 52 HA SER 52 -0.399 -6.778 17.119 874 HB2 SER 52 HB2 SER 52 -2.273 -5.082 17.020 875 HB3 SER 52 HB1 SER 52 -2.952 -5.983 15.667 876 HG SER 52 HG SER 52 -2.918 -6.526 18.363 877 H ASP 53 HN ASP 53 -2.588 -8.455 16.400 878 HA ASP 53 HA ASP 53 -1.297 -10.630 15.121 879 HB2 ASP 53 HB2 ASP 53 -3.232 -10.664 16.787 880 HB3 ASP 53 HB1 ASP 53 -4.274 -10.264 15.434 881 H GLU 54 HN GLU 54 -3.218 -8.061 13.857 882 HA GLU 54 HA GLU 54 -3.929 -9.019 11.331 883 HB2 GLU 54 HB2 GLU 54 -3.829 -6.591 10.666 884 HB3 GLU 54 HB1 GLU 54 -4.838 -6.930 12.060 885 HG2 GLU 54 HG2 GLU 54 -3.121 -6.122 13.552 886 HG3 GLU 54 HG1 GLU 54 -2.006 -5.905 12.206 887 H ASP 55 HN ASP 55 -0.909 -7.681 12.517 888 HA ASP 55 HA ASP 55 0.309 -7.375 9.976 889 HB2 ASP 55 HB2 ASP 55 1.560 -7.479 12.721 890 HB3 ASP 55 HB1 ASP 55 2.394 -7.012 11.241 891 H ALA 56 HN ALA 56 -0.074 -9.946 12.186 892 HA ALA 56 HA ALA 56 2.066 -11.560 11.264 893 HB1 ALA 56 HB1 ALA 56 0.901 -13.427 12.354 894 HB2 ALA 56 HB2 ALA 56 -0.541 -12.429 12.531 895 HB3 ALA 56 HB3 ALA 56 0.934 -12.010 13.402 896 H GLU 57 HN GLU 57 -1.123 -10.876 10.077 897 HA GLU 57 HA GLU 57 -0.887 -12.940 8.081 898 HB2 GLU 57 HB2 GLU 57 -3.127 -12.562 8.960 899 HB3 GLU 57 HB1 GLU 57 -3.051 -10.869 8.478 900 HG2 GLU 57 HG2 GLU 57 -3.142 -11.393 6.187 901 HG3 GLU 57 HG1 GLU 57 -2.763 -13.082 6.475 902 H LEU 58 HN LEU 58 -0.698 -9.444 8.302 903 HA LEU 58 HA LEU 58 -0.460 -9.019 5.556 904 HB2 LEU 58 HB2 LEU 58 0.465 -7.370 7.865 905 HB3 LEU 58 HB1 LEU 58 0.767 -6.879 6.211 906 HG LEU 58 HG LEU 58 -1.939 -7.276 7.479 907 HD11 LEU 58 HD11 LEU 58 -0.911 -5.312 8.266 908 HD12 LEU 58 HD12 LEU 58 -2.207 -4.909 7.141 909 HD13 LEU 58 HD13 LEU 58 -0.515 -4.809 6.628 910 HD21 LEU 58 HD21 LEU 58 -2.175 -7.964 5.247 911 HD22 LEU 58 HD22 LEU 58 -1.113 -6.728 4.655 912 HD23 LEU 58 HD23 LEU 58 -2.723 -6.287 5.274 913 H VAL 59 HN VAL 59 2.028 -9.925 7.835 914 HA VAL 59 HA VAL 59 4.127 -9.428 5.987 915 HB VAL 59 HB VAL 59 5.637 -10.605 7.474 916 HG11 VAL 59 HG11 VAL 59 5.346 -9.393 9.523 917 HG12 VAL 59 HG12 VAL 59 3.702 -8.980 9.043 918 HG13 VAL 59 HG13 VAL 59 5.071 -8.392 8.094 919 HG21 VAL 59 HG21 VAL 59 4.860 -11.799 9.475 920 HG22 VAL 59 HG22 VAL 59 4.270 -12.554 7.997 921 HG23 VAL 59 HG23 VAL 59 3.186 -11.554 8.968 922 H GLU 60 HN GLU 60 1.987 -12.163 6.418 923 HA GLU 60 HA GLU 60 3.649 -13.798 4.743 924 HB2 GLU 60 HB2 GLU 60 1.846 -15.521 4.849 925 HB3 GLU 60 HB1 GLU 60 2.396 -15.016 6.430 926 HG2 GLU 60 HG2 GLU 60 0.439 -13.736 6.798 927 HG3 GLU 60 HG1 GLU 60 -0.071 -13.914 5.124 928 H ILE 61 HN ILE 61 0.790 -11.804 4.340 929 HA ILE 61 HA ILE 61 0.226 -12.676 1.696 930 HB ILE 61 HB ILE 61 -0.513 -10.036 3.014 931 HG12 ILE 61 HG12 ILE 61 -2.122 -12.582 2.645 932 HG13 ILE 61 HG11 ILE 61 -1.441 -12.009 4.163 933 HG21 ILE 61 HG21 ILE 61 -0.603 -9.851 0.582 934 HG22 ILE 61 HG22 ILE 61 -2.234 -9.853 1.258 935 HG23 ILE 61 HG23 ILE 61 -1.597 -11.305 0.489 936 HD11 ILE 61 HD11 ILE 61 -2.893 -10.047 4.073 937 HD12 ILE 61 HD12 ILE 61 -3.823 -11.544 4.024 938 HD13 ILE 61 HD13 ILE 61 -3.564 -10.617 2.544 939 H VAL 62 HN VAL 62 2.169 -9.998 2.984 940 HA VAL 62 HA VAL 62 2.719 -8.861 0.508 941 HB VAL 62 HB VAL 62 3.155 -7.533 2.513 942 HG11 VAL 62 HG11 VAL 62 5.421 -9.412 3.117 943 HG12 VAL 62 HG12 VAL 62 3.894 -9.309 3.985 944 HG13 VAL 62 HG13 VAL 62 5.013 -7.943 4.016 945 HG21 VAL 62 HG21 VAL 62 5.373 -6.619 2.009 946 HG22 VAL 62 HG22 VAL 62 4.431 -6.928 0.549 947 HG23 VAL 62 HG23 VAL 62 5.719 -8.035 1.017 948 H LYS 63 HN LYS 63 4.500 -11.311 2.314 949 HA LYS 63 HA LYS 63 6.629 -11.431 0.434 950 HB2 LYS 63 HB2 LYS 63 7.447 -13.306 1.701 951 HB3 LYS 63 HB1 LYS 63 6.830 -12.095 2.816 952 HG2 LYS 63 HG2 LYS 63 4.728 -13.436 2.965 953 HG3 LYS 63 HG1 LYS 63 5.557 -14.705 2.066 954 HD2 LYS 63 HD2 LYS 63 6.342 -13.570 4.759 955 HD3 LYS 63 HD1 LYS 63 5.738 -15.187 4.424 956 HE2 LYS 63 HE2 LYS 63 7.750 -15.595 3.027 957 HE3 LYS 63 HE1 LYS 63 8.346 -14.014 3.485 958 HZ1 LYS 63 HZ1 LYS 63 7.802 -16.223 5.387 959 HZ2 LYS 63 HZ2 LYS 63 8.390 -14.682 5.786 960 HZ3 LYS 63 HZ3 LYS 63 9.320 -15.726 4.860 961 H GLU 64 HN GLU 64 3.540 -12.958 0.678 962 HA GLU 64 HA GLU 64 3.901 -15.023 -1.167 963 HB2 GLU 64 HB2 GLU 64 1.942 -15.139 0.155 964 HB3 GLU 64 HB1 GLU 64 1.480 -13.490 -0.243 965 HG2 GLU 64 HG2 GLU 64 0.941 -14.134 -2.487 966 HG3 GLU 64 HG1 GLU 64 1.483 -15.774 -2.209 967 H ARG 65 HN ARG 65 2.647 -11.774 -1.588 968 HA ARG 65 HA ARG 65 2.449 -12.123 -4.415 969 HB2 ARG 65 HB2 ARG 65 2.166 -9.757 -2.639 970 HB3 ARG 65 HB1 ARG 65 1.874 -9.670 -4.386 971 HG2 ARG 65 HG2 ARG 65 0.091 -11.375 -4.052 972 HG3 ARG 65 HG1 ARG 65 0.380 -11.271 -2.313 973 HD2 ARG 65 HD2 ARG 65 -0.121 -8.855 -2.420 974 HD3 ARG 65 HD1 ARG 65 -0.508 -9.038 -4.131 975 HE ARG 65 HE ARG 65 -1.946 -10.808 -2.410 976 HH11 ARG 65 HH11 ARG 65 -1.962 -7.660 -3.969 977 HH12 ARG 65 HH12 ARG 65 -3.641 -7.383 -3.765 978 HH21 ARG 65 HH21 ARG 65 -4.198 -10.500 -2.117 979 HH22 ARG 65 HH22 ARG 65 -5.008 -9.085 -2.618 980 H LEU 66 HN LEU 66 4.888 -11.090 -2.241 981 HA LEU 66 HA LEU 66 6.283 -9.423 -4.052 982 HB2 LEU 66 HB2 LEU 66 6.351 -9.477 -1.501 983 HB3 LEU 66 HB1 LEU 66 7.418 -10.825 -1.688 984 HG LEU 66 HG LEU 66 9.091 -9.512 -2.831 985 HD11 LEU 66 HD11 LEU 66 7.128 -7.243 -2.539 986 HD12 LEU 66 HD12 LEU 66 7.661 -7.978 -4.055 987 HD13 LEU 66 HD13 LEU 66 8.804 -7.067 -3.065 988 HD21 LEU 66 HD21 LEU 66 9.690 -7.999 -1.001 989 HD22 LEU 66 HD22 LEU 66 9.125 -9.565 -0.405 990 HD23 LEU 66 HD23 LEU 66 8.057 -8.165 -0.351 991 H ARG 67 HN ARG 67 6.263 -12.847 -3.432 992 HA ARG 67 HA ARG 67 8.830 -13.285 -4.585 993 HB2 ARG 67 HB2 ARG 67 8.321 -15.699 -4.502 994 HB3 ARG 67 HB1 ARG 67 8.030 -14.896 -2.970 995 HG2 ARG 67 HG2 ARG 67 5.609 -14.845 -3.550 996 HG3 ARG 67 HG1 ARG 67 5.988 -15.833 -4.964 997 HD2 ARG 67 HD2 ARG 67 6.866 -17.586 -3.538 998 HD3 ARG 67 HD1 ARG 67 6.613 -16.583 -2.112 999 HE ARG 67 HE ARG 67 4.406 -17.515 -3.816 1000 HH11 ARG 67 HH11 ARG 67 5.788 -16.976 -0.573 1001 HH12 ARG 67 HH12 ARG 67 4.419 -17.592 0.235 1002 HH21 ARG 67 HH21 ARG 67 2.522 -18.393 -2.623 1003 HH22 ARG 67 HH22 ARG 67 2.594 -18.403 -0.917 1004 H ASN 68 HN ASN 68 5.798 -12.696 -5.967 1005 HA ASN 68 HA ASN 68 6.923 -12.652 -8.559 1006 HB2 ASN 68 HB2 ASN 68 6.318 -15.066 -8.381 1007 HB3 ASN 68 HB1 ASN 68 4.664 -14.561 -7.995 1008 HD21 ASN 68 HD21 ASN 68 3.815 -15.551 -9.624 1009 HD22 ASN 68 HD22 ASN 68 3.982 -15.146 -11.258 1010 HA PRO 69 HA PRO 69 3.529 -9.789 -7.488 1011 HB2 PRO 69 HB2 PRO 69 5.062 -7.555 -8.234 1012 HB3 PRO 69 HB1 PRO 69 4.739 -8.143 -6.598 1013 HG2 PRO 69 HG2 PRO 69 7.233 -8.124 -7.897 1014 HG3 PRO 69 HG1 PRO 69 6.832 -9.017 -6.423 1015 HD2 PRO 69 HD2 PRO 69 7.004 -9.966 -9.236 1016 HD3 PRO 69 HD1 PRO 69 7.361 -10.825 -7.720 1017 H LYS 70 HN LYS 70 5.577 -8.979 -10.305 1018 HA LYS 70 HA LYS 70 5.185 -7.930 -12.209 1019 HB2 LYS 70 HB2 LYS 70 2.487 -9.294 -12.040 1020 HB3 LYS 70 HB1 LYS 70 2.854 -8.175 -13.335 1021 HG2 LYS 70 HG2 LYS 70 3.257 -10.237 -14.285 1022 HG3 LYS 70 HG1 LYS 70 4.859 -9.708 -13.807 1023 HD2 LYS 70 HD2 LYS 70 4.752 -11.128 -11.837 1024 HD3 LYS 70 HD1 LYS 70 3.126 -11.657 -12.257 1025 HE2 LYS 70 HE2 LYS 70 4.231 -12.332 -14.547 1026 HE3 LYS 70 HE1 LYS 70 5.722 -12.194 -13.597 1027 HZ1 LYS 70 HZ1 LYS 70 4.947 -14.405 -13.710 1028 HZ2 LYS 70 HZ2 LYS 70 3.478 -13.995 -13.013 1029 HZ3 LYS 70 HZ3 LYS 70 4.943 -13.823 -12.126 1030 HA PRO 71 HA PRO 71 3.329 -4.373 -10.206 1031 HB2 PRO 71 HB2 PRO 71 5.499 -2.773 -10.364 1032 HB3 PRO 71 HB1 PRO 71 5.245 -3.944 -9.067 1033 HG2 PRO 71 HG2 PRO 71 7.129 -4.029 -11.335 1034 HG3 PRO 71 HG1 PRO 71 7.208 -4.867 -9.779 1035 HD2 PRO 71 HD2 PRO 71 6.366 -5.917 -12.304 1036 HD3 PRO 71 HD1 PRO 71 6.383 -6.742 -10.733 1037 H VAL 72 HN VAL 72 2.261 -2.878 -11.197 1038 HA VAL 72 HA VAL 72 2.917 -2.211 -13.965 1039 HB VAL 72 HB VAL 72 0.286 -1.914 -12.472 1040 HG11 VAL 72 HG11 VAL 72 -0.698 -1.436 -14.658 1041 HG12 VAL 72 HG12 VAL 72 0.895 -1.543 -15.401 1042 HG13 VAL 72 HG13 VAL 72 0.547 -0.254 -14.248 1043 HG21 VAL 72 HG21 VAL 72 0.774 -4.254 -12.822 1044 HG22 VAL 72 HG22 VAL 72 1.156 -3.950 -14.511 1045 HG23 VAL 72 HG23 VAL 72 -0.499 -3.757 -13.942 1046 H ARG 73 HN ARG 73 3.844 -0.313 -14.211 1047 HA ARG 73 HA ARG 73 4.219 1.615 -12.204 1048 HB2 ARG 73 HB2 ARG 73 5.671 1.381 -14.189 1049 HB3 ARG 73 HB1 ARG 73 4.354 1.970 -15.202 1050 HG2 ARG 73 HG2 ARG 73 5.657 3.855 -14.882 1051 HG3 ARG 73 HG1 ARG 73 4.391 4.035 -13.663 1052 HD2 ARG 73 HD2 ARG 73 6.389 4.527 -12.543 1053 HD3 ARG 73 HD1 ARG 73 6.013 2.862 -12.075 1054 HE ARG 73 HE ARG 73 7.669 3.194 -14.398 1055 HH11 ARG 73 HH11 ARG 73 7.528 2.151 -11.004 1056 HH12 ARG 73 HH12 ARG 73 9.217 1.901 -10.913 1057 HH21 ARG 73 HH21 ARG 73 9.929 2.727 -14.270 1058 HH22 ARG 73 HH22 ARG 73 10.589 2.197 -12.784 1059 H VAL 74 HN VAL 74 2.711 3.005 -11.432 1060 HA VAL 74 HA VAL 74 0.823 4.071 -13.346 1061 HB VAL 74 HB VAL 74 -1.030 3.962 -11.665 1062 HG11 VAL 74 HG11 VAL 74 -1.608 1.608 -12.031 1063 HG12 VAL 74 HG12 VAL 74 0.046 1.293 -12.554 1064 HG13 VAL 74 HG13 VAL 74 -0.983 2.371 -13.496 1065 HG21 VAL 74 HG21 VAL 74 -0.869 2.321 -9.865 1066 HG22 VAL 74 HG22 VAL 74 0.255 3.669 -9.668 1067 HG23 VAL 74 HG23 VAL 74 0.847 2.101 -10.227 1068 H THR 75 HN THR 75 -0.480 5.777 -12.270 1069 HA THR 75 HA THR 75 1.040 7.431 -10.442 1070 HB THR 75 HB THR 75 0.209 9.410 -11.847 1071 HG1 THR 75 HG1 THR 75 -0.157 7.370 -13.807 1072 HG21 THR 75 HG21 THR 75 2.023 9.275 -13.508 1073 HG22 THR 75 HG22 THR 75 2.177 7.547 -13.196 1074 HG23 THR 75 HG23 THR 75 2.572 8.708 -11.930 1075 H LEU 76 HN LEU 76 -0.500 8.992 -9.416 1076 HA LEU 76 HA LEU 76 -2.896 7.666 -8.614 1077 HB2 LEU 76 HB2 LEU 76 -1.915 10.461 -8.189 1078 HB3 LEU 76 HB1 LEU 76 -3.342 9.791 -7.399 1079 HG LEU 76 HG LEU 76 -0.568 8.714 -7.155 1080 HD11 LEU 76 HD11 LEU 76 -0.622 9.720 -4.912 1081 HD12 LEU 76 HD12 LEU 76 -2.186 10.447 -5.296 1082 HD13 LEU 76 HD13 LEU 76 -0.735 10.943 -6.177 1083 HD21 LEU 76 HD21 LEU 76 -3.101 8.102 -5.634 1084 HD22 LEU 76 HD22 LEU 76 -1.484 7.511 -5.234 1085 HD23 LEU 76 HD23 LEU 76 -2.224 7.040 -6.744 1086 H ASP 77 HN ASP 77 -2.075 9.980 -10.948 1087 HA ASP 77 HA ASP 77 -4.560 11.133 -11.489 1088 HB2 ASP 77 HB2 ASP 77 -2.458 12.050 -12.314 1089 HB3 ASP 77 HB1 ASP 77 -2.222 10.629 -13.321 1090 H GLU 78 HN GLU 78 -3.069 8.152 -12.659 1091 HA GLU 78 HA GLU 78 -5.312 7.693 -14.447 1092 HB2 GLU 78 HB2 GLU 78 -4.048 5.778 -15.271 1093 HB3 GLU 78 HB1 GLU 78 -3.074 7.238 -15.300 1094 HG2 GLU 78 HG2 GLU 78 -2.015 6.534 -13.210 1095 HG3 GLU 78 HG1 GLU 78 -2.903 5.020 -13.265 1096 H LEU 79 HN LEU 79 -4.783 7.148 -11.227 1097 HA LEU 79 HA LEU 79 -6.041 4.547 -11.148 1098 HB2 LEU 79 HB2 LEU 79 -5.557 6.487 -8.886 1099 HB3 LEU 79 HB1 LEU 79 -6.088 4.834 -8.714 1100 HG LEU 79 HG LEU 79 -3.380 5.820 -9.554 1101 HD11 LEU 79 HD11 LEU 79 -4.323 4.150 -7.242 1102 HD12 LEU 79 HD12 LEU 79 -3.838 5.843 -7.181 1103 HD13 LEU 79 HD13 LEU 79 -2.656 4.593 -7.588 1104 HD21 LEU 79 HD21 LEU 79 -3.926 3.909 -10.947 1105 HD22 LEU 79 HD22 LEU 79 -4.406 2.983 -9.524 1106 HD23 LEU 79 HD23 LEU 79 -2.722 3.465 -9.739 Start of MODEL 13 1 H MET 1 H MET 1 5.364 13.936 -9.991 2 HA MET 1 HA MET 1 4.688 13.565 -7.156 3 HB2 MET 1 HB2 MET 1 4.663 11.635 -9.501 4 HB3 MET 1 HB1 MET 1 4.412 11.171 -7.826 5 HG2 MET 1 HG2 MET 1 2.385 12.497 -7.733 6 HG3 MET 1 HG1 MET 1 2.651 13.056 -9.378 7 HE1 MET 1 HE1 MET 1 0.230 12.375 -10.066 8 HE2 MET 1 HE2 MET 1 -0.084 11.843 -8.413 9 HE3 MET 1 HE3 MET 1 -0.480 10.787 -9.769 10 H ALA 2 HN ALA 2 6.442 13.173 -5.931 11 HA ALA 2 HA ALA 2 9.044 13.108 -7.070 12 HB1 ALA 2 HB1 ALA 2 8.179 12.441 -4.250 13 HB2 ALA 2 HB2 ALA 2 8.625 14.042 -4.835 14 HB3 ALA 2 HB3 ALA 2 9.832 12.756 -4.772 15 H TYR 3 HN TYR 3 7.297 10.643 -5.210 16 HA TYR 3 HA TYR 3 8.975 8.611 -6.406 17 HB2 TYR 3 HB2 TYR 3 6.889 8.555 -4.229 18 HB3 TYR 3 HB1 TYR 3 7.485 7.067 -4.950 19 HD1 TYR 3 HD1 TYR 3 8.718 10.176 -3.249 20 HD2 TYR 3 HD2 TYR 3 9.343 6.039 -4.003 21 HE1 TYR 3 HE1 TYR 3 10.597 10.173 -1.659 22 HE2 TYR 3 HE2 TYR 3 11.222 6.022 -2.419 23 HH TYR 3 HH TYR 3 12.809 7.562 -1.425 24 H PHE 4 HN PHE 4 8.289 7.085 -7.823 25 HA PHE 4 HA PHE 4 5.965 7.698 -9.394 26 HB2 PHE 4 HB2 PHE 4 7.706 5.202 -9.431 27 HB3 PHE 4 HB1 PHE 4 6.523 5.642 -10.650 28 HD1 PHE 4 HD2 PHE 4 7.021 7.392 -12.266 29 HD2 PHE 4 HD1 PHE 4 9.835 6.261 -9.309 30 HE1 PHE 4 HE2 PHE 4 8.802 8.556 -13.515 31 HE2 PHE 4 HE1 PHE 4 11.607 7.389 -10.514 32 HZ PHE 4 HZ PHE 4 11.110 8.562 -12.637 33 H LEU 5 HN LEU 5 4.330 5.744 -9.834 34 HA LEU 5 HA LEU 5 3.755 4.576 -7.243 35 HB2 LEU 5 HB2 LEU 5 2.149 6.277 -7.884 36 HB3 LEU 5 HB1 LEU 5 1.933 5.516 -9.444 37 HG LEU 5 HG LEU 5 0.915 3.583 -8.355 38 HD11 LEU 5 HD11 LEU 5 0.253 3.730 -5.993 39 HD12 LEU 5 HD12 LEU 5 1.154 5.237 -5.829 40 HD13 LEU 5 HD13 LEU 5 2.006 3.726 -6.160 41 HD21 LEU 5 HD21 LEU 5 -0.459 5.376 -9.202 42 HD22 LEU 5 HD22 LEU 5 -0.289 6.244 -7.683 43 HD23 LEU 5 HD23 LEU 5 -1.171 4.724 -7.727 44 H ASP 6 HN ASP 6 3.668 2.442 -7.207 45 HA ASP 6 HA ASP 6 3.376 1.039 -9.761 46 HB2 ASP 6 HB2 ASP 6 5.530 0.624 -7.743 47 HB3 ASP 6 HB1 ASP 6 4.779 -0.840 -8.352 48 H PHE 7 HN PHE 7 2.063 -0.766 -9.667 49 HA PHE 7 HA PHE 7 1.011 -1.532 -7.031 50 HB2 PHE 7 HB2 PHE 7 -0.505 -0.694 -9.425 51 HB3 PHE 7 HB1 PHE 7 -1.147 -2.077 -8.558 52 HD1 PHE 7 HD1 PHE 7 -0.519 1.523 -8.460 53 HD2 PHE 7 HD2 PHE 7 -2.003 -1.828 -6.327 54 HE1 PHE 7 HE1 PHE 7 -1.655 3.028 -6.873 55 HE2 PHE 7 HE2 PHE 7 -3.128 -0.334 -4.742 56 HZ PHE 7 HZ PHE 7 -2.958 2.099 -5.018 57 H ASP 8 HN ASP 8 1.235 -3.573 -6.628 58 HA ASP 8 HA ASP 8 2.074 -5.584 -8.384 59 HB2 ASP 8 HB2 ASP 8 2.296 -6.175 -6.142 60 HB3 ASP 8 HB1 ASP 8 0.745 -5.483 -5.701 61 H GLU 9 HN GLU 9 0.936 -7.079 -9.667 62 HA GLU 9 HA GLU 9 -1.428 -6.122 -10.792 63 HB2 GLU 9 HB2 GLU 9 -0.294 -8.890 -11.034 64 HB3 GLU 9 HB1 GLU 9 -1.648 -8.293 -11.980 65 HG2 GLU 9 HG2 GLU 9 -0.108 -6.440 -12.751 66 HG3 GLU 9 HG1 GLU 9 1.205 -7.380 -12.043 67 H ARG 10 HN ARG 10 -1.065 -8.270 -8.108 68 HA ARG 10 HA ARG 10 -3.821 -9.063 -8.161 69 HB2 ARG 10 HB2 ARG 10 -1.720 -9.250 -5.977 70 HB3 ARG 10 HB1 ARG 10 -3.341 -9.894 -5.812 71 HG2 ARG 10 HG2 ARG 10 -2.924 -11.471 -7.614 72 HG3 ARG 10 HG1 ARG 10 -1.325 -10.768 -7.877 73 HD2 ARG 10 HD2 ARG 10 -0.623 -11.474 -5.650 74 HD3 ARG 10 HD1 ARG 10 -2.230 -12.080 -5.304 75 HE ARG 10 HE ARG 10 -1.615 -13.490 -7.468 76 HH11 ARG 10 HH11 ARG 10 0.402 -12.900 -4.617 77 HH12 ARG 10 HH12 ARG 10 1.132 -14.454 -4.630 78 HH21 ARG 10 HH21 ARG 10 -0.583 -15.562 -7.512 79 HH22 ARG 10 HH22 ARG 10 0.628 -15.962 -6.377 80 H ALA 11 HN ALA 11 -1.860 -6.620 -6.616 81 HA ALA 11 HA ALA 11 -3.754 -5.438 -4.918 82 HB1 ALA 11 HB1 ALA 11 -1.344 -4.989 -4.763 83 HB2 ALA 11 HB2 ALA 11 -2.288 -3.503 -4.838 84 HB3 ALA 11 HB3 ALA 11 -1.430 -4.077 -6.268 85 H LEU 12 HN LEU 12 -3.217 -5.004 -8.312 86 HA LEU 12 HA LEU 12 -4.760 -2.721 -8.896 87 HB2 LEU 12 HB2 LEU 12 -4.587 -5.321 -10.376 88 HB3 LEU 12 HB1 LEU 12 -5.233 -3.845 -11.078 89 HG LEU 12 HG LEU 12 -2.372 -4.372 -10.233 90 HD11 LEU 12 HD11 LEU 12 -1.911 -4.393 -12.629 91 HD12 LEU 12 HD12 LEU 12 -3.626 -4.171 -12.967 92 HD13 LEU 12 HD13 LEU 12 -3.065 -5.657 -12.199 93 HD21 LEU 12 HD21 LEU 12 -2.958 -2.008 -10.046 94 HD22 LEU 12 HD22 LEU 12 -3.558 -2.024 -11.707 95 HD23 LEU 12 HD23 LEU 12 -1.845 -2.292 -11.384 96 H LYS 13 HN LYS 13 -5.739 -6.013 -8.362 97 HA LYS 13 HA LYS 13 -8.526 -5.511 -8.934 98 HB2 LYS 13 HB2 LYS 13 -7.428 -7.960 -7.571 99 HB3 LYS 13 HB1 LYS 13 -8.813 -7.837 -8.645 100 HG2 LYS 13 HG2 LYS 13 -5.910 -7.622 -9.438 101 HG3 LYS 13 HG1 LYS 13 -6.979 -8.989 -9.732 102 HD2 LYS 13 HD2 LYS 13 -8.306 -7.693 -11.261 103 HD3 LYS 13 HD1 LYS 13 -7.442 -6.216 -10.832 104 HE2 LYS 13 HE2 LYS 13 -5.421 -7.030 -11.748 105 HE3 LYS 13 HE1 LYS 13 -6.115 -8.626 -12.062 106 HZ1 LYS 13 HZ1 LYS 13 -6.908 -6.069 -13.359 107 HZ2 LYS 13 HZ2 LYS 13 -7.581 -7.581 -13.713 108 HZ3 LYS 13 HZ3 LYS 13 -5.964 -7.260 -14.052 109 H GLU 14 HN GLU 14 -6.428 -5.219 -6.330 110 HA GLU 14 HA GLU 14 -8.186 -5.824 -4.187 111 HB2 GLU 14 HB2 GLU 14 -5.601 -4.376 -4.323 112 HB3 GLU 14 HB1 GLU 14 -6.489 -4.689 -2.842 113 HG2 GLU 14 HG2 GLU 14 -5.380 -6.753 -4.757 114 HG3 GLU 14 HG1 GLU 14 -4.670 -6.302 -3.207 115 H TRP 15 HN TRP 15 -7.458 -2.972 -5.931 116 HA TRP 15 HA TRP 15 -9.104 -1.494 -4.029 117 HB2 TRP 15 HB2 TRP 15 -8.487 0.590 -5.018 118 HB3 TRP 15 HB1 TRP 15 -7.028 -0.380 -5.084 119 HD1 TRP 15 HD1 TRP 15 -9.909 0.692 -7.475 120 HE1 TRP 15 HE1 TRP 15 -8.931 1.021 -9.807 121 HE3 TRP 15 HE3 TRP 15 -5.107 -0.757 -6.552 122 HZ2 TRP 15 HZ2 TRP 15 -6.472 0.736 -11.099 123 HZ3 TRP 15 HZ3 TRP 15 -3.507 -0.676 -8.407 124 HH2 TRP 15 HH2 TRP 15 -4.176 0.052 -10.629 125 H ARG 16 HN ARG 16 -9.356 -3.096 -6.956 126 HA ARG 16 HA ARG 16 -11.789 -1.783 -7.756 127 HB2 ARG 16 HB2 ARG 16 -10.482 -4.255 -8.885 128 HB3 ARG 16 HB1 ARG 16 -11.833 -3.393 -9.615 129 HG2 ARG 16 HG2 ARG 16 -10.384 -1.364 -9.723 130 HG3 ARG 16 HG1 ARG 16 -9.068 -2.349 -9.139 131 HD2 ARG 16 HD2 ARG 16 -8.997 -2.095 -11.544 132 HD3 ARG 16 HD1 ARG 16 -9.172 -3.782 -11.066 133 HE ARG 16 HE ARG 16 -11.498 -3.644 -11.717 134 HH11 ARG 16 HH11 ARG 16 -9.423 -0.984 -12.901 135 HH12 ARG 16 HH12 ARG 16 -10.499 -0.548 -14.134 136 HH21 ARG 16 HH21 ARG 16 -12.946 -3.005 -13.492 137 HH22 ARG 16 HH22 ARG 16 -12.492 -1.695 -14.479 138 H LYS 17 HN LYS 17 -11.149 -3.988 -5.457 139 HA LYS 17 HA LYS 17 -13.640 -5.517 -5.671 140 HB2 LYS 17 HB2 LYS 17 -12.912 -6.518 -3.527 141 HB3 LYS 17 HB1 LYS 17 -11.693 -6.671 -4.789 142 HG2 LYS 17 HG2 LYS 17 -10.270 -5.262 -3.828 143 HG3 LYS 17 HG1 LYS 17 -11.455 -4.268 -3.049 144 HD2 LYS 17 HD2 LYS 17 -10.262 -5.390 -1.361 145 HD3 LYS 17 HD1 LYS 17 -11.803 -6.214 -1.453 146 HE2 LYS 17 HE2 LYS 17 -10.820 -7.964 -2.846 147 HE3 LYS 17 HE1 LYS 17 -9.275 -7.129 -2.819 148 HZ1 LYS 17 HZ1 LYS 17 -10.612 -8.271 -0.423 149 HZ2 LYS 17 HZ2 LYS 17 -9.087 -7.542 -0.474 150 HZ3 LYS 17 HZ3 LYS 17 -9.351 -8.985 -1.272 151 H LEU 18 HN LEU 18 -12.540 -2.575 -4.365 152 HA LEU 18 HA LEU 18 -14.484 -2.744 -2.240 153 HB2 LEU 18 HB2 LEU 18 -13.038 -1.128 -0.974 154 HB3 LEU 18 HB1 LEU 18 -12.388 -2.733 -1.272 155 HG LEU 18 HG LEU 18 -11.076 -1.701 -3.183 156 HD11 LEU 18 HD11 LEU 18 -12.262 0.384 -3.428 157 HD12 LEU 18 HD12 LEU 18 -10.559 0.646 -3.054 158 HD13 LEU 18 HD13 LEU 18 -11.775 0.861 -1.795 159 HD21 LEU 18 HD21 LEU 18 -9.336 -0.864 -1.704 160 HD22 LEU 18 HD22 LEU 18 -10.026 -2.393 -1.165 161 HD23 LEU 18 HD23 LEU 18 -10.478 -0.882 -0.356 162 H GLY 19 HN GLY 19 -15.137 -0.469 -1.415 163 HA2 GLY 19 HA2 GLY 19 -16.700 0.714 -3.407 164 HA3 GLY 19 HA1 GLY 19 -16.441 1.350 -1.794 165 H SER 20 HN SER 20 -16.707 2.713 -4.308 166 HA SER 20 HA SER 20 -14.278 3.504 -5.401 167 HB2 SER 20 HB2 SER 20 -16.894 5.004 -5.370 168 HB3 SER 20 HB1 SER 20 -15.567 5.212 -6.520 169 HG SER 20 HG SER 20 -17.219 3.868 -7.332 170 H THR 21 HN THR 21 -16.204 5.026 -2.782 171 HA THR 21 HA THR 21 -14.488 7.282 -2.650 172 HB THR 21 HB THR 21 -16.550 6.278 -0.658 173 HG1 THR 21 HG1 THR 21 -16.540 8.109 -2.806 174 HG21 THR 21 HG21 THR 21 -16.544 8.597 0.199 175 HG22 THR 21 HG22 THR 21 -15.232 9.008 -0.905 176 HG23 THR 21 HG23 THR 21 -14.957 7.857 0.402 177 H VAL 22 HN VAL 22 -14.483 4.148 -1.216 178 HA VAL 22 HA VAL 22 -12.625 4.613 0.859 179 HB VAL 22 HB VAL 22 -13.060 2.109 -0.809 180 HG11 VAL 22 HG11 VAL 22 -11.907 0.900 0.994 181 HG12 VAL 22 HG12 VAL 22 -11.577 2.431 1.803 182 HG13 VAL 22 HG13 VAL 22 -10.841 2.087 0.238 183 HG21 VAL 22 HG21 VAL 22 -15.014 2.790 0.462 184 HG22 VAL 22 HG22 VAL 22 -14.051 2.858 1.935 185 HG23 VAL 22 HG23 VAL 22 -14.323 1.312 1.127 186 H ARG 23 HN ARG 23 -12.193 3.837 -2.576 187 HA ARG 23 HA ARG 23 -9.361 3.917 -2.237 188 HB2 ARG 23 HB2 ARG 23 -9.098 3.538 -4.582 189 HB3 ARG 23 HB1 ARG 23 -10.333 2.444 -3.965 190 HG2 ARG 23 HG2 ARG 23 -12.026 3.991 -4.941 191 HG3 ARG 23 HG1 ARG 23 -10.691 4.905 -5.654 192 HD2 ARG 23 HD2 ARG 23 -9.908 2.740 -6.674 193 HD3 ARG 23 HD1 ARG 23 -11.423 2.035 -6.139 194 HE ARG 23 HE ARG 23 -11.493 4.395 -7.838 195 HH11 ARG 23 HH11 ARG 23 -12.090 0.897 -7.471 196 HH12 ARG 23 HH12 ARG 23 -12.877 0.758 -8.966 197 HH21 ARG 23 HH21 ARG 23 -12.586 4.159 -9.869 198 HH22 ARG 23 HH22 ARG 23 -13.144 2.637 -10.371 199 H GLU 24 HN GLU 24 -11.731 6.261 -2.842 200 HA GLU 24 HA GLU 24 -9.995 8.210 -3.947 201 HB2 GLU 24 HB2 GLU 24 -12.552 8.578 -2.350 202 HB3 GLU 24 HB1 GLU 24 -11.734 9.867 -3.211 203 HG2 GLU 24 HG2 GLU 24 -12.088 8.667 -5.322 204 HG3 GLU 24 HG1 GLU 24 -12.931 7.398 -4.456 205 H GLN 25 HN GLN 25 -10.790 7.200 -0.683 206 HA GLN 25 HA GLN 25 -9.312 9.221 0.686 207 HB2 GLN 25 HB2 GLN 25 -9.831 6.395 1.612 208 HB3 GLN 25 HB1 GLN 25 -9.384 7.758 2.614 209 HG2 GLN 25 HG2 GLN 25 -11.551 8.795 2.152 210 HG3 GLN 25 HG1 GLN 25 -11.985 7.410 1.143 211 HE21 GLN 25 HE21 GLN 25 -13.655 6.711 2.406 212 HE22 GLN 25 HE22 GLN 25 -13.425 6.001 3.964 213 H LEU 26 HN LEU 26 -8.629 5.921 -0.337 214 HA LEU 26 HA LEU 26 -6.044 5.603 0.604 215 HB2 LEU 26 HB2 LEU 26 -7.268 4.510 -1.918 216 HB3 LEU 26 HB1 LEU 26 -5.744 3.972 -1.252 217 HG LEU 26 HG LEU 26 -8.402 3.725 0.161 218 HD11 LEU 26 HD11 LEU 26 -8.256 1.369 -0.368 219 HD12 LEU 26 HD12 LEU 26 -6.769 1.648 -1.266 220 HD13 LEU 26 HD13 LEU 26 -8.285 2.314 -1.857 221 HD21 LEU 26 HD21 LEU 26 -5.676 2.589 0.782 222 HD22 LEU 26 HD22 LEU 26 -7.162 2.215 1.652 223 HD23 LEU 26 HD23 LEU 26 -6.506 3.847 1.698 224 H LYS 27 HN LYS 27 -7.090 6.981 -2.469 225 HA LYS 27 HA LYS 27 -4.520 7.400 -3.498 226 HB2 LYS 27 HB2 LYS 27 -7.109 8.800 -4.104 227 HB3 LYS 27 HB1 LYS 27 -5.603 9.079 -4.974 228 HG2 LYS 27 HG2 LYS 27 -5.552 6.749 -5.684 229 HG3 LYS 27 HG1 LYS 27 -7.024 6.430 -4.765 230 HD2 LYS 27 HD2 LYS 27 -7.483 6.730 -7.158 231 HD3 LYS 27 HD1 LYS 27 -8.266 7.973 -6.181 232 HE2 LYS 27 HE2 LYS 27 -6.440 9.519 -6.708 233 HE3 LYS 27 HE1 LYS 27 -5.667 8.279 -7.698 234 HZ1 LYS 27 HZ1 LYS 27 -8.291 9.558 -8.169 235 HZ2 LYS 27 HZ2 LYS 27 -7.630 8.301 -9.107 236 HZ3 LYS 27 HZ3 LYS 27 -6.859 9.802 -9.030 237 H LYS 28 HN LYS 28 -6.421 9.312 -1.288 238 HA LYS 28 HA LYS 28 -4.755 11.613 -1.456 239 HB2 LYS 28 HB2 LYS 28 -6.934 10.714 0.338 240 HB3 LYS 28 HB1 LYS 28 -5.781 11.821 1.046 241 HG2 LYS 28 HG2 LYS 28 -7.737 13.020 0.228 242 HG3 LYS 28 HG1 LYS 28 -6.306 13.494 -0.660 243 HD2 LYS 28 HD2 LYS 28 -8.261 11.455 -1.738 244 HD3 LYS 28 HD1 LYS 28 -8.509 13.183 -1.955 245 HE2 LYS 28 HE2 LYS 28 -6.236 13.265 -3.042 246 HE3 LYS 28 HE1 LYS 28 -6.215 11.505 -2.965 247 HZ1 LYS 28 HZ1 LYS 28 -8.225 11.476 -4.356 248 HZ2 LYS 28 HZ2 LYS 28 -6.964 12.282 -5.118 249 HZ3 LYS 28 HZ3 LYS 28 -8.208 13.156 -4.425 250 H LYS 29 HN LYS 29 -4.690 8.695 0.471 251 HA LYS 29 HA LYS 29 -2.501 9.580 2.067 252 HB2 LYS 29 HB2 LYS 29 -3.895 6.951 1.772 253 HB3 LYS 29 HB1 LYS 29 -2.305 6.978 2.526 254 HG2 LYS 29 HG2 LYS 29 -4.084 7.085 4.186 255 HG3 LYS 29 HG1 LYS 29 -3.103 8.550 4.198 256 HD2 LYS 29 HD2 LYS 29 -4.864 9.552 2.672 257 HD3 LYS 29 HD1 LYS 29 -5.864 8.159 3.091 258 HE2 LYS 29 HE2 LYS 29 -6.368 10.079 4.460 259 HE3 LYS 29 HE1 LYS 29 -5.710 8.745 5.428 260 HZ1 LYS 29 HZ1 LYS 29 -4.788 10.995 5.969 261 HZ2 LYS 29 HZ2 LYS 29 -4.027 11.028 4.464 262 HZ3 LYS 29 HZ3 LYS 29 -3.622 9.862 5.588 263 H LEU 30 HN LEU 30 -2.850 8.082 -0.897 264 HA LEU 30 HA LEU 30 -0.133 7.271 -1.107 265 HB2 LEU 30 HB2 LEU 30 -2.230 7.575 -3.250 266 HB3 LEU 30 HB1 LEU 30 -0.619 6.954 -3.548 267 HG LEU 30 HG LEU 30 -2.683 5.687 -1.740 268 HD11 LEU 30 HD11 LEU 30 -2.762 3.922 -3.426 269 HD12 LEU 30 HD12 LEU 30 -1.664 4.849 -4.445 270 HD13 LEU 30 HD13 LEU 30 -3.273 5.477 -4.084 271 HD21 LEU 30 HD21 LEU 30 0.080 4.754 -2.536 272 HD22 LEU 30 HD22 LEU 30 -1.105 3.788 -1.669 273 HD23 LEU 30 HD23 LEU 30 -0.439 5.233 -0.917 274 H VAL 31 HN VAL 31 -1.910 10.146 -2.103 275 HA VAL 31 HA VAL 31 0.323 11.183 -3.522 276 HB VAL 31 HB VAL 31 -2.060 11.900 -3.946 277 HG11 VAL 31 HG11 VAL 31 -1.692 13.603 -1.507 278 HG12 VAL 31 HG12 VAL 31 -2.787 12.237 -1.677 279 HG13 VAL 31 HG13 VAL 31 -3.037 13.693 -2.647 280 HG21 VAL 31 HG21 VAL 31 -0.243 13.138 -4.954 281 HG22 VAL 31 HG22 VAL 31 -0.062 14.113 -3.497 282 HG23 VAL 31 HG23 VAL 31 -1.526 14.251 -4.471 283 H GLU 32 HN GLU 32 -0.345 10.993 -0.153 284 HA GLU 32 HA GLU 32 1.464 13.206 0.393 285 HB2 GLU 32 HB2 GLU 32 0.908 12.810 2.798 286 HB3 GLU 32 HB1 GLU 32 -0.527 13.113 1.833 287 HG2 GLU 32 HG2 GLU 32 -0.989 10.742 1.764 288 HG3 GLU 32 HG1 GLU 32 0.455 10.413 2.705 289 H VAL 33 HN VAL 33 1.309 9.817 0.103 290 HA VAL 33 HA VAL 33 3.619 9.296 1.692 291 HB VAL 33 HB VAL 33 1.554 7.752 1.204 292 HG11 VAL 33 HG11 VAL 33 1.853 6.067 -0.477 293 HG12 VAL 33 HG12 VAL 33 3.344 6.843 -0.997 294 HG13 VAL 33 HG13 VAL 33 1.810 7.673 -1.229 295 HG21 VAL 33 HG21 VAL 33 3.333 7.256 2.648 296 HG22 VAL 33 HG22 VAL 33 4.311 6.684 1.258 297 HG23 VAL 33 HG23 VAL 33 2.830 5.824 1.729 298 H LEU 34 HN LEU 34 2.888 9.902 -1.645 299 HA LEU 34 HA LEU 34 5.311 8.958 -2.765 300 HB2 LEU 34 HB2 LEU 34 3.442 11.096 -3.774 301 HB3 LEU 34 HB1 LEU 34 4.736 10.384 -4.715 302 HG LEU 34 HG LEU 34 2.364 8.874 -3.632 303 HD11 LEU 34 HD11 LEU 34 1.598 8.834 -5.969 304 HD12 LEU 34 HD12 LEU 34 2.958 9.859 -6.427 305 HD13 LEU 34 HD13 LEU 34 1.704 10.485 -5.352 306 HD21 LEU 34 HD21 LEU 34 3.097 7.104 -5.161 307 HD22 LEU 34 HD22 LEU 34 4.303 7.465 -3.932 308 HD23 LEU 34 HD23 LEU 34 4.520 8.062 -5.579 309 H GLU 35 HN GLU 35 4.706 11.527 -0.788 310 HA GLU 35 HA GLU 35 7.053 13.034 -1.639 311 HB2 GLU 35 HB2 GLU 35 5.075 14.351 -1.137 312 HB3 GLU 35 HB1 GLU 35 4.938 13.594 0.442 313 HG2 GLU 35 HG2 GLU 35 7.049 14.604 1.114 314 HG3 GLU 35 HG1 GLU 35 7.185 15.363 -0.470 315 H SER 36 HN SER 36 5.738 11.251 1.101 316 HA SER 36 HA SER 36 8.411 10.835 2.102 317 HB2 SER 36 HB2 SER 36 7.620 11.495 4.428 318 HB3 SER 36 HB1 SER 36 7.839 12.831 3.294 319 HG SER 36 HG SER 36 5.398 11.511 3.796 320 HA PRO 37 HA PRO 37 5.796 7.153 2.583 321 HB2 PRO 37 HB2 PRO 37 7.322 5.401 1.308 322 HB3 PRO 37 HB1 PRO 37 6.368 6.591 0.420 323 HG2 PRO 37 HG2 PRO 37 9.292 6.551 0.985 324 HG3 PRO 37 HG1 PRO 37 8.436 7.129 -0.453 325 HD2 PRO 37 HD2 PRO 37 9.403 8.717 1.648 326 HD3 PRO 37 HD1 PRO 37 8.253 9.225 0.404 327 H ARG 38 HN ARG 38 8.851 7.923 3.862 328 HA ARG 38 HA ARG 38 9.197 5.305 5.115 329 HB2 ARG 38 HB2 ARG 38 10.933 7.776 5.412 330 HB3 ARG 38 HB1 ARG 38 11.321 6.152 5.936 331 HG2 ARG 38 HG2 ARG 38 10.929 6.950 3.060 332 HG3 ARG 38 HG1 ARG 38 12.490 6.854 3.866 333 HD2 ARG 38 HD2 ARG 38 10.566 4.548 3.594 334 HD3 ARG 38 HD1 ARG 38 11.906 4.855 2.498 335 HE ARG 38 HE ARG 38 12.774 4.734 5.197 336 HH11 ARG 38 HH11 ARG 38 11.835 2.699 2.460 337 HH12 ARG 38 HH12 ARG 38 12.788 1.367 2.940 338 HH21 ARG 38 HH21 ARG 38 14.067 2.907 5.858 339 HH22 ARG 38 HH22 ARG 38 14.057 1.469 4.940 340 H ILE 39 HN ILE 39 7.456 5.242 6.571 341 HA ILE 39 HA ILE 39 7.709 7.122 8.815 342 HB ILE 39 HB ILE 39 5.095 5.916 7.801 343 HG12 ILE 39 HG12 ILE 39 6.015 8.806 7.662 344 HG13 ILE 39 HG11 ILE 39 6.009 7.699 6.298 345 HG21 ILE 39 HG21 ILE 39 5.128 6.265 10.225 346 HG22 ILE 39 HG22 ILE 39 4.026 7.405 9.449 347 HG23 ILE 39 HG23 ILE 39 5.613 7.945 9.989 348 HD11 ILE 39 HD11 ILE 39 3.574 7.523 6.465 349 HD12 ILE 39 HD12 ILE 39 4.097 9.190 6.237 350 HD13 ILE 39 HD13 ILE 39 3.594 8.635 7.834 351 H GLU 40 HN GLU 40 8.790 5.817 10.214 352 HA GLU 40 HA GLU 40 8.394 2.982 10.091 353 HB2 GLU 40 HB2 GLU 40 10.185 2.736 11.648 354 HB3 GLU 40 HB1 GLU 40 10.623 3.965 10.473 355 HG2 GLU 40 HG2 GLU 40 10.255 5.681 12.080 356 HG3 GLU 40 HG1 GLU 40 9.594 4.512 13.233 357 H ALA 41 HN ALA 41 6.584 5.186 11.531 358 HA ALA 41 HA ALA 41 6.037 3.797 13.980 359 HB1 ALA 41 HB1 ALA 41 4.126 5.324 14.176 360 HB2 ALA 41 HB2 ALA 41 4.397 5.878 12.524 361 HB3 ALA 41 HB3 ALA 41 5.599 6.203 13.771 362 H ASN 42 HN ASN 42 5.109 3.489 10.663 363 HA ASN 42 HA ASN 42 2.930 1.656 11.368 364 HB2 ASN 42 HB2 ASN 42 3.523 3.195 8.848 365 HB3 ASN 42 HB1 ASN 42 2.239 2.004 8.997 366 HD21 ASN 42 HD21 ASN 42 2.324 4.912 8.520 367 HD22 ASN 42 HD22 ASN 42 1.179 5.579 9.642 368 H LYS 43 HN LYS 43 6.063 1.299 10.946 369 HA LYS 43 HA LYS 43 6.268 -0.436 8.679 370 HB2 LYS 43 HB2 LYS 43 8.501 -0.996 9.471 371 HB3 LYS 43 HB1 LYS 43 8.244 0.737 9.539 372 HG2 LYS 43 HG2 LYS 43 7.841 0.581 11.948 373 HG3 LYS 43 HG1 LYS 43 8.113 -1.162 11.866 374 HD2 LYS 43 HD2 LYS 43 10.378 -0.816 11.153 375 HD3 LYS 43 HD1 LYS 43 10.146 0.923 11.062 376 HE2 LYS 43 HE2 LYS 43 9.662 0.925 13.513 377 HE3 LYS 43 HE1 LYS 43 10.022 -0.799 13.545 378 HZ1 LYS 43 HZ1 LYS 43 12.254 -0.217 12.675 379 HZ2 LYS 43 HZ2 LYS 43 11.942 0.333 14.237 380 HZ3 LYS 43 HZ3 LYS 43 11.902 1.428 12.953 381 H LEU 44 HN LEU 44 6.535 -2.655 8.586 382 HA LEU 44 HA LEU 44 5.107 -4.139 10.580 383 HB2 LEU 44 HB2 LEU 44 6.537 -5.061 8.084 384 HB3 LEU 44 HB1 LEU 44 5.426 -6.006 9.049 385 HG LEU 44 HG LEU 44 4.743 -3.594 7.372 386 HD11 LEU 44 HD11 LEU 44 3.457 -5.193 6.025 387 HD12 LEU 44 HD12 LEU 44 4.077 -6.511 7.019 388 HD13 LEU 44 HD13 LEU 44 5.180 -5.556 6.027 389 HD21 LEU 44 HD21 LEU 44 2.914 -5.375 8.971 390 HD22 LEU 44 HD22 LEU 44 2.412 -4.060 7.908 391 HD23 LEU 44 HD23 LEU 44 3.330 -3.709 9.371 392 H ARG 45 HN ARG 45 6.097 -6.110 11.498 393 HA ARG 45 HA ARG 45 8.680 -5.461 12.629 394 HB2 ARG 45 HB2 ARG 45 6.731 -6.407 13.898 395 HB3 ARG 45 HB1 ARG 45 6.940 -7.878 12.975 396 HG2 ARG 45 HG2 ARG 45 9.131 -8.220 13.943 397 HG3 ARG 45 HG1 ARG 45 8.986 -6.714 14.854 398 HD2 ARG 45 HD2 ARG 45 8.384 -8.431 16.357 399 HD3 ARG 45 HD1 ARG 45 6.874 -7.682 15.852 400 HE ARG 45 HE ARG 45 7.917 -10.269 15.007 401 HH11 ARG 45 HH11 ARG 45 5.122 -8.033 14.724 402 HH12 ARG 45 HH12 ARG 45 3.988 -9.257 14.758 403 HH21 ARG 45 HH21 ARG 45 6.278 -11.951 14.960 404 HH22 ARG 45 HH22 ARG 45 4.632 -11.544 14.867 405 H GLY 46 HN GLY 46 7.205 -8.133 10.907 406 HA2 GLY 46 HA2 GLY 46 9.711 -9.466 10.486 407 HA3 GLY 46 HA1 GLY 46 8.153 -9.955 9.842 408 H MET 47 HN MET 47 8.222 -6.902 8.900 409 HA MET 47 HA MET 47 9.837 -7.424 6.522 410 HB2 MET 47 HB2 MET 47 6.971 -6.559 6.552 411 HB3 MET 47 HB1 MET 47 8.020 -6.296 5.165 412 HG2 MET 47 HG2 MET 47 7.393 -8.915 6.426 413 HG3 MET 47 HG1 MET 47 6.632 -8.305 4.951 414 HE1 MET 47 HE1 MET 47 7.260 -10.453 3.608 415 HE2 MET 47 HE2 MET 47 7.927 -11.139 5.084 416 HE3 MET 47 HE3 MET 47 8.868 -11.182 3.590 417 HA PRO 48 HA PRO 48 11.049 -3.230 7.681 418 HB2 PRO 48 HB2 PRO 48 13.224 -3.885 5.811 419 HB3 PRO 48 HB1 PRO 48 13.347 -3.375 7.492 420 HG2 PRO 48 HG2 PRO 48 13.941 -5.878 6.748 421 HG3 PRO 48 HG1 PRO 48 13.147 -5.536 8.296 422 HD2 PRO 48 HD2 PRO 48 11.953 -6.516 5.732 423 HD3 PRO 48 HD1 PRO 48 11.646 -7.043 7.405 424 H ASP 49 HN ASP 49 10.919 -1.361 6.389 425 HA ASP 49 HA ASP 49 10.598 -0.009 4.598 426 HB2 ASP 49 HB2 ASP 49 11.271 -2.447 2.925 427 HB3 ASP 49 HB1 ASP 49 11.013 -0.837 2.270 428 H CYS 50 HN CYS 50 8.678 -2.412 5.474 429 HA CYS 50 HA CYS 50 6.611 -1.843 3.479 430 HB2 CYS 50 HB2 CYS 50 6.808 -4.150 5.421 431 HB3 CYS 50 HB1 CYS 50 5.641 -3.967 4.113 432 HG CYS 50 HG CYS 50 8.987 -4.215 3.563 433 H TYR 51 HN TYR 51 4.833 -0.810 4.212 434 HA TYR 51 HA TYR 51 4.545 -0.434 7.113 435 HB2 TYR 51 HB2 TYR 51 4.165 1.733 5.034 436 HB3 TYR 51 HB1 TYR 51 4.081 1.914 6.779 437 HD1 TYR 51 HD1 TYR 51 6.222 1.628 8.111 438 HD2 TYR 51 HD2 TYR 51 6.217 1.949 3.885 439 HE1 TYR 51 HE1 TYR 51 8.620 2.198 8.148 440 HE2 TYR 51 HE2 TYR 51 8.611 2.517 3.924 441 HH TYR 51 HH TYR 51 10.522 2.056 6.623 442 H LYS 52 HN LYS 52 2.391 -0.004 7.777 443 HA LYS 52 HA LYS 52 0.329 -0.596 5.783 444 HB2 LYS 52 HB2 LYS 52 -0.936 -1.807 7.535 445 HB3 LYS 52 HB1 LYS 52 0.600 -2.576 7.170 446 HG2 LYS 52 HG2 LYS 52 1.574 -1.646 9.199 447 HG3 LYS 52 HG1 LYS 52 0.075 -0.794 9.551 448 HD2 LYS 52 HD2 LYS 52 0.420 -3.798 9.432 449 HD3 LYS 52 HD1 LYS 52 0.300 -2.838 10.900 450 HE2 LYS 52 HE2 LYS 52 -1.972 -2.099 10.147 451 HE3 LYS 52 HE1 LYS 52 -1.837 -3.218 8.796 452 HZ1 LYS 52 HZ1 LYS 52 -1.890 -3.861 11.675 453 HZ2 LYS 52 HZ2 LYS 52 -1.540 -5.022 10.504 454 HZ3 LYS 52 HZ3 LYS 52 -3.058 -4.290 10.552 455 H ILE 53 HN ILE 53 -1.136 0.895 5.587 456 HA ILE 53 HA ILE 53 -1.526 2.834 7.775 457 HB ILE 53 HB ILE 53 -1.850 3.255 4.775 458 HG12 ILE 53 HG12 ILE 53 0.242 4.336 6.680 459 HG13 ILE 53 HG11 ILE 53 0.495 3.083 5.478 460 HG21 ILE 53 HG21 ILE 53 -2.219 5.619 5.318 461 HG22 ILE 53 HG22 ILE 53 -2.113 5.239 7.035 462 HG23 ILE 53 HG23 ILE 53 -3.445 4.598 6.076 463 HD11 ILE 53 HD11 ILE 53 0.042 4.680 3.693 464 HD12 ILE 53 HD12 ILE 53 1.361 5.232 4.728 465 HD13 ILE 53 HD13 ILE 53 -0.247 5.944 4.892 466 H LYS 54 HN LYS 54 -3.687 3.159 8.437 467 HA LYS 54 HA LYS 54 -5.647 1.608 6.921 468 HB2 LYS 54 HB2 LYS 54 -5.780 2.130 9.896 469 HB3 LYS 54 HB1 LYS 54 -6.915 1.206 8.951 470 HG2 LYS 54 HG2 LYS 54 -5.740 -0.507 9.892 471 HG3 LYS 54 HG1 LYS 54 -4.775 -0.262 8.437 472 HD2 LYS 54 HD2 LYS 54 -3.316 -0.490 10.358 473 HD3 LYS 54 HD1 LYS 54 -3.233 1.165 9.745 474 HE2 LYS 54 HE2 LYS 54 -4.702 1.942 11.520 475 HE3 LYS 54 HE1 LYS 54 -4.982 0.292 12.043 476 HZ1 LYS 54 HZ1 LYS 54 -3.376 1.458 13.458 477 HZ2 LYS 54 HZ2 LYS 54 -2.345 1.683 12.158 478 HZ3 LYS 54 HZ3 LYS 54 -2.687 0.138 12.710 479 H LEU 55 HN LEU 55 -7.516 2.530 6.459 480 HA LEU 55 HA LEU 55 -7.847 5.365 6.902 481 HB2 LEU 55 HB2 LEU 55 -9.808 3.396 5.664 482 HB3 LEU 55 HB1 LEU 55 -9.852 5.130 5.572 483 HG LEU 55 HG LEU 55 -7.753 3.408 4.276 484 HD11 LEU 55 HD11 LEU 55 -8.901 4.009 2.196 485 HD12 LEU 55 HD12 LEU 55 -10.155 4.816 3.137 486 HD13 LEU 55 HD13 LEU 55 -9.928 3.072 3.278 487 HD21 LEU 55 HD21 LEU 55 -7.147 5.472 3.096 488 HD22 LEU 55 HD22 LEU 55 -6.940 5.655 4.838 489 HD23 LEU 55 HD23 LEU 55 -8.345 6.359 4.035 490 H ARG 56 HN ARG 56 -8.345 5.758 8.956 491 HA ARG 56 HA ARG 56 -9.624 3.969 10.731 492 HB2 ARG 56 HB2 ARG 56 -9.377 6.978 10.974 493 HB3 ARG 56 HB1 ARG 56 -9.690 5.859 12.282 494 HG2 ARG 56 HG2 ARG 56 -7.148 5.952 10.659 495 HG3 ARG 56 HG1 ARG 56 -7.369 6.681 12.245 496 HD2 ARG 56 HD2 ARG 56 -7.824 4.417 13.166 497 HD3 ARG 56 HD1 ARG 56 -7.496 3.735 11.567 498 HE ARG 56 HE ARG 56 -5.246 4.993 11.920 499 HH11 ARG 56 HH11 ARG 56 -6.974 2.996 14.268 500 HH12 ARG 56 HH12 ARG 56 -5.631 2.746 15.263 501 HH21 ARG 56 HH21 ARG 56 -3.371 4.608 13.267 502 HH22 ARG 56 HH22 ARG 56 -3.505 3.683 14.689 503 H SER 57 HN SER 57 -10.780 6.307 8.490 504 HA SER 57 HA SER 57 -13.417 6.558 9.570 505 HB2 SER 57 HB2 SER 57 -12.350 7.354 6.874 506 HB3 SER 57 HB1 SER 57 -13.770 7.999 7.703 507 HG SER 57 HG SER 57 -12.149 9.403 8.058 508 H SER 58 HN SER 58 -12.038 3.950 8.061 509 HA SER 58 HA SER 58 -14.645 3.149 7.075 510 HB2 SER 58 HB2 SER 58 -12.231 3.085 5.259 511 HB3 SER 58 HB1 SER 58 -13.812 2.398 4.876 512 HG SER 58 HG SER 58 -14.324 4.792 5.654 513 H GLY 59 HN GLY 59 -11.366 2.137 7.935 514 HA2 GLY 59 HA2 GLY 59 -10.987 0.211 9.231 515 HA3 GLY 59 HA1 GLY 59 -12.486 -0.492 8.612 516 H TYR 60 HN TYR 60 -10.794 0.976 6.203 517 HA TYR 60 HA TYR 60 -9.838 -1.579 5.193 518 HB2 TYR 60 HB2 TYR 60 -10.328 1.107 3.965 519 HB3 TYR 60 HB1 TYR 60 -9.291 -0.060 3.151 520 HD1 TYR 60 HD1 TYR 60 -12.749 0.447 4.458 521 HD2 TYR 60 HD2 TYR 60 -10.179 -1.819 1.960 522 HE1 TYR 60 HE1 TYR 60 -14.708 -0.682 3.471 523 HE2 TYR 60 HE2 TYR 60 -12.103 -2.947 0.970 524 HH TYR 60 HH TYR 60 -15.280 -1.901 1.375 525 H ARG 61 HN ARG 61 -7.662 -1.489 4.065 526 HA ARG 61 HA ARG 61 -5.795 0.306 5.276 527 HB2 ARG 61 HB2 ARG 61 -4.297 -1.652 5.940 528 HB3 ARG 61 HB1 ARG 61 -5.682 -1.341 6.975 529 HG2 ARG 61 HG2 ARG 61 -6.072 -3.308 4.806 530 HG3 ARG 61 HG1 ARG 61 -5.012 -3.783 6.138 531 HD2 ARG 61 HD2 ARG 61 -7.734 -2.597 6.629 532 HD3 ARG 61 HD1 ARG 61 -7.510 -4.320 6.337 533 HE ARG 61 HE ARG 61 -5.862 -4.178 8.229 534 HH11 ARG 61 HH11 ARG 61 -8.927 -2.316 8.233 535 HH12 ARG 61 HH12 ARG 61 -8.936 -2.198 9.931 536 HH21 ARG 61 HH21 ARG 61 -5.995 -3.981 10.522 537 HH22 ARG 61 HH22 ARG 61 -7.282 -3.129 11.238 538 H LEU 62 HN LEU 62 -3.659 -0.081 4.409 539 HA LEU 62 HA LEU 62 -3.568 -1.387 1.831 540 HB2 LEU 62 HB2 LEU 62 -4.300 0.961 1.415 541 HB3 LEU 62 HB1 LEU 62 -2.896 1.547 2.271 542 HG LEU 62 HG LEU 62 -2.576 -0.095 -0.247 543 HD11 LEU 62 HD11 LEU 62 -2.994 2.891 -0.067 544 HD12 LEU 62 HD12 LEU 62 -4.116 1.731 -0.787 545 HD13 LEU 62 HD13 LEU 62 -2.535 1.995 -1.513 546 HD21 LEU 62 HD21 LEU 62 -0.906 2.089 1.019 547 HD22 LEU 62 HD22 LEU 62 -0.506 1.195 -0.448 548 HD23 LEU 62 HD23 LEU 62 -0.572 0.358 1.105 549 H VAL 63 HN VAL 63 -1.555 -2.129 1.381 550 HA VAL 63 HA VAL 63 0.527 -1.788 3.445 551 HB VAL 63 HB VAL 63 0.150 -4.225 1.714 552 HG11 VAL 63 HG11 VAL 63 1.633 -3.845 4.298 553 HG12 VAL 63 HG12 VAL 63 2.329 -4.010 2.685 554 HG13 VAL 63 HG13 VAL 63 1.481 -5.368 3.421 555 HG21 VAL 63 HG21 VAL 63 -1.062 -3.758 4.424 556 HG22 VAL 63 HG22 VAL 63 -0.911 -5.352 3.686 557 HG23 VAL 63 HG23 VAL 63 -1.907 -4.115 2.920 558 H TYR 64 HN TYR 64 2.444 -1.104 2.562 559 HA TYR 64 HA TYR 64 2.926 -1.605 -0.267 560 HB2 TYR 64 HB2 TYR 64 3.507 0.719 -0.747 561 HB3 TYR 64 HB1 TYR 64 1.849 0.631 -0.168 562 HD1 TYR 64 HD1 TYR 64 1.402 1.259 2.265 563 HD2 TYR 64 HD2 TYR 64 5.088 2.125 0.308 564 HE1 TYR 64 HE1 TYR 64 1.913 2.933 3.980 565 HE2 TYR 64 HE2 TYR 64 5.606 3.801 2.041 566 HH TYR 64 HH TYR 64 4.511 5.149 3.701 567 H GLN 65 HN GLN 65 5.169 -1.184 -0.841 568 HA GLN 65 HA GLN 65 6.971 -1.166 1.445 569 HB2 GLN 65 HB2 GLN 65 6.773 -3.445 0.353 570 HB3 GLN 65 HB1 GLN 65 7.373 -2.707 -1.126 571 HG2 GLN 65 HG2 GLN 65 9.455 -2.102 0.023 572 HG3 GLN 65 HG1 GLN 65 8.859 -2.862 1.494 573 HE21 GLN 65 HE21 GLN 65 8.376 -4.103 -1.705 574 HE22 GLN 65 HE22 GLN 65 9.378 -5.508 -1.539 575 H VAL 66 HN VAL 66 8.736 0.061 1.126 576 HA VAL 66 HA VAL 66 8.480 1.986 -1.057 577 HB VAL 66 HB VAL 66 10.176 2.150 1.447 578 HG11 VAL 66 HG11 VAL 66 9.570 4.246 -0.647 579 HG12 VAL 66 HG12 VAL 66 11.130 3.468 -0.374 580 HG13 VAL 66 HG13 VAL 66 10.445 4.524 0.859 581 HG21 VAL 66 HG21 VAL 66 7.562 3.456 0.733 582 HG22 VAL 66 HG22 VAL 66 8.512 3.801 2.183 583 HG23 VAL 66 HG23 VAL 66 7.807 2.200 1.944 584 H ILE 67 HN ILE 67 9.771 1.775 -2.757 585 HA ILE 67 HA ILE 67 12.339 0.368 -2.436 586 HB ILE 67 HB ILE 67 10.859 1.045 -4.985 587 HG12 ILE 67 HG12 ILE 67 10.829 -1.584 -3.457 588 HG13 ILE 67 HG11 ILE 67 9.471 -0.485 -3.625 589 HG21 ILE 67 HG21 ILE 67 13.095 -0.916 -4.402 590 HG22 ILE 67 HG22 ILE 67 13.260 0.627 -5.231 591 HG23 ILE 67 HG23 ILE 67 12.334 -0.681 -5.975 592 HD11 ILE 67 HD11 ILE 67 9.249 -2.404 -5.096 593 HD12 ILE 67 HD12 ILE 67 10.793 -2.020 -5.855 594 HD13 ILE 67 HD13 ILE 67 9.424 -0.919 -6.031 595 H ASP 68 HN ASP 68 13.847 2.001 -2.046 596 HA ASP 68 HA ASP 68 13.238 4.617 -3.113 597 HB2 ASP 68 HB2 ASP 68 14.076 4.419 -0.788 598 HB3 ASP 68 HB1 ASP 68 15.607 3.814 -1.415 599 H GLU 69 HN GLU 69 15.369 1.999 -3.813 600 HA GLU 69 HA GLU 69 17.235 3.331 -5.451 601 HB2 GLU 69 HB2 GLU 69 17.688 1.142 -6.488 602 HB3 GLU 69 HB1 GLU 69 17.584 1.000 -4.741 603 HG2 GLU 69 HG2 GLU 69 15.427 -0.004 -4.875 604 HG3 GLU 69 HG1 GLU 69 15.294 0.392 -6.581 605 H LYS 70 HN LYS 70 14.041 2.155 -6.078 606 HA LYS 70 HA LYS 70 14.216 2.790 -8.943 607 HB2 LYS 70 HB2 LYS 70 13.095 0.670 -7.557 608 HB3 LYS 70 HB1 LYS 70 11.730 1.707 -7.850 609 HG2 LYS 70 HG2 LYS 70 12.001 1.604 -10.211 610 HG3 LYS 70 HG1 LYS 70 13.560 0.798 -10.040 611 HD2 LYS 70 HD2 LYS 70 11.939 -0.877 -10.632 612 HD3 LYS 70 HD1 LYS 70 12.397 -1.111 -8.954 613 HE2 LYS 70 HE2 LYS 70 10.002 -1.395 -9.240 614 HE3 LYS 70 HE1 LYS 70 10.351 0.007 -8.233 615 HZ1 LYS 70 HZ1 LYS 70 9.953 1.421 -10.205 616 HZ2 LYS 70 HZ2 LYS 70 8.601 0.495 -9.867 617 HZ3 LYS 70 HZ3 LYS 70 9.620 0.057 -11.115 618 H VAL 71 HN VAL 71 13.410 4.123 -6.055 619 HA VAL 71 HA VAL 71 12.122 5.735 -5.213 620 HB VAL 71 HB VAL 71 12.045 6.940 -7.988 621 HG11 VAL 71 HG11 VAL 71 12.116 8.215 -5.278 622 HG12 VAL 71 HG12 VAL 71 10.682 7.836 -6.192 623 HG13 VAL 71 HG13 VAL 71 11.832 9.037 -6.838 624 HG21 VAL 71 HG21 VAL 71 14.127 8.090 -7.454 625 HG22 VAL 71 HG22 VAL 71 14.348 6.335 -7.499 626 HG23 VAL 71 HG23 VAL 71 14.245 7.175 -5.944 627 H VAL 72 HN VAL 72 10.390 4.075 -5.032 628 HA VAL 72 HA VAL 72 8.022 5.092 -6.290 629 HB VAL 72 HB VAL 72 9.028 3.582 -7.988 630 HG11 VAL 72 HG11 VAL 72 10.089 1.965 -6.655 631 HG12 VAL 72 HG12 VAL 72 8.865 1.168 -7.668 632 HG13 VAL 72 HG13 VAL 72 8.553 1.451 -5.955 633 HG21 VAL 72 HG21 VAL 72 6.399 2.660 -6.871 634 HG22 VAL 72 HG22 VAL 72 7.006 2.343 -8.502 635 HG23 VAL 72 HG23 VAL 72 6.657 3.994 -7.995 636 H VAL 73 HN VAL 73 6.165 4.471 -5.276 637 HA VAL 73 HA VAL 73 6.405 2.968 -2.813 638 HB VAL 73 HB VAL 73 4.118 4.610 -3.963 639 HG11 VAL 73 HG11 VAL 73 3.111 4.443 -1.745 640 HG12 VAL 73 HG12 VAL 73 4.452 3.437 -1.204 641 HG13 VAL 73 HG13 VAL 73 3.350 2.840 -2.445 642 HG21 VAL 73 HG21 VAL 73 6.087 5.287 -1.788 643 HG22 VAL 73 HG22 VAL 73 4.713 6.281 -2.303 644 HG23 VAL 73 HG23 VAL 73 6.036 5.949 -3.423 645 H PHE 74 HN PHE 74 6.271 0.886 -3.285 646 HA PHE 74 HA PHE 74 4.584 0.040 -5.477 647 HB2 PHE 74 HB2 PHE 74 6.854 -0.775 -5.536 648 HB3 PHE 74 HB1 PHE 74 6.729 -1.374 -3.889 649 HD1 PHE 74 HD1 PHE 74 4.272 -1.782 -6.650 650 HD2 PHE 74 HD2 PHE 74 7.174 -3.636 -4.155 651 HE1 PHE 74 HE1 PHE 74 3.614 -3.969 -7.513 652 HE2 PHE 74 HE2 PHE 74 6.508 -5.833 -5.016 653 HZ PHE 74 HZ PHE 74 4.718 -5.995 -6.695 654 H VAL 75 HN VAL 75 2.576 -0.122 -4.830 655 HA VAL 75 HA VAL 75 1.871 -0.955 -2.198 656 HB VAL 75 HB VAL 75 0.073 -0.608 -4.612 657 HG11 VAL 75 HG11 VAL 75 -0.562 -0.733 -1.665 658 HG12 VAL 75 HG12 VAL 75 -0.954 -1.959 -2.872 659 HG13 VAL 75 HG13 VAL 75 -1.720 -0.370 -2.947 660 HG21 VAL 75 HG21 VAL 75 1.266 1.451 -4.100 661 HG22 VAL 75 HG22 VAL 75 0.764 1.343 -2.412 662 HG23 VAL 75 HG23 VAL 75 -0.440 1.602 -3.676 663 H ILE 76 HN ILE 76 1.526 -2.846 -1.516 664 HA ILE 76 HA ILE 76 1.932 -5.154 -3.230 665 HB ILE 76 HB ILE 76 1.650 -4.951 -0.232 666 HG12 ILE 76 HG12 ILE 76 3.611 -3.690 -1.046 667 HG13 ILE 76 HG11 ILE 76 4.092 -5.096 -0.110 668 HG21 ILE 76 HG21 ILE 76 1.141 -7.167 -1.087 669 HG22 ILE 76 HG22 ILE 76 2.629 -7.161 -0.156 670 HG23 ILE 76 HG23 ILE 76 2.697 -7.218 -1.922 671 HD11 ILE 76 HD11 ILE 76 5.517 -4.796 -2.038 672 HD12 ILE 76 HD12 ILE 76 4.119 -4.828 -3.111 673 HD13 ILE 76 HD13 ILE 76 4.575 -6.277 -2.212 674 H SER 77 HN SER 77 -0.429 -3.987 -0.789 675 HA SER 77 HA SER 77 -2.491 -5.595 -2.060 676 HB2 SER 77 HB2 SER 77 -1.806 -5.862 0.881 677 HB3 SER 77 HB1 SER 77 -3.105 -6.700 0.026 678 HG SER 77 HG SER 77 -0.979 -7.163 -1.359 679 H VAL 78 HN VAL 78 -4.649 -4.943 -1.406 680 HA VAL 78 HA VAL 78 -4.904 -2.528 0.174 681 HB VAL 78 HB VAL 78 -6.123 -2.785 -2.614 682 HG11 VAL 78 HG11 VAL 78 -6.091 -0.474 -0.725 683 HG12 VAL 78 HG12 VAL 78 -7.451 -1.532 -1.077 684 HG13 VAL 78 HG13 VAL 78 -6.795 -0.488 -2.346 685 HG21 VAL 78 HG21 VAL 78 -3.728 -2.394 -2.880 686 HG22 VAL 78 HG22 VAL 78 -3.830 -1.003 -1.797 687 HG23 VAL 78 HG23 VAL 78 -4.660 -0.973 -3.349 688 H GLY 79 HN GLY 79 -6.923 -2.562 1.230 689 HA2 GLY 79 HA2 GLY 79 -9.319 -3.303 0.791 690 HA3 GLY 79 HA1 GLY 79 -8.599 -4.897 0.619 691 H LYS 80 HN LYS 80 -9.737 -5.747 2.375 692 HA LYS 80 HA LYS 80 -8.841 -4.655 4.912 693 HB2 LYS 80 HB2 LYS 80 -11.348 -6.233 4.354 694 HB3 LYS 80 HB1 LYS 80 -10.793 -5.778 5.950 695 HG2 LYS 80 HG2 LYS 80 -10.988 -3.425 5.368 696 HG3 LYS 80 HG1 LYS 80 -11.540 -3.864 3.755 697 HD2 LYS 80 HD2 LYS 80 -12.968 -4.661 6.293 698 HD3 LYS 80 HD1 LYS 80 -13.330 -3.191 5.406 699 HE2 LYS 80 HE2 LYS 80 -14.949 -4.835 4.786 700 HE3 LYS 80 HE1 LYS 80 -13.883 -4.581 3.420 701 HZ1 LYS 80 HZ1 LYS 80 -14.514 -6.930 3.913 702 HZ2 LYS 80 HZ2 LYS 80 -13.594 -6.879 5.302 703 HZ3 LYS 80 HZ3 LYS 80 -12.863 -6.700 3.784 704 H ALA 81 HN ALA 81 -7.089 -5.731 5.302 705 HA ALA 81 HA ALA 81 -7.274 -8.628 5.641 706 HB1 ALA 81 HB1 ALA 81 -4.908 -6.896 4.911 707 HB2 ALA 81 HB2 ALA 81 -5.657 -8.117 3.872 708 HB3 ALA 81 HB3 ALA 81 -4.803 -8.597 5.346 709 H GLU 82 HN GLU 82 -7.142 -9.108 7.744 710 HA GLU 82 HA GLU 82 -6.688 -9.046 9.918 711 HB2 GLU 82 HB2 GLU 82 -4.399 -8.392 9.503 712 HB3 GLU 82 HB1 GLU 82 -4.878 -6.763 9.121 713 HG2 GLU 82 HG2 GLU 82 -5.239 -7.826 11.879 714 HG3 GLU 82 HG1 GLU 82 -3.649 -7.325 11.292 715 H ALA 83 HN ALA 83 -7.365 -8.069 11.805 716 HA ALA 83 HA ALA 83 -8.429 -6.541 13.196 717 HB1 ALA 83 HB1 ALA 83 -9.988 -5.424 10.853 718 HB2 ALA 83 HB2 ALA 83 -8.520 -4.698 11.481 719 HB3 ALA 83 HB3 ALA 83 -9.957 -4.799 12.503 720 H SER 84 HN SER 84 -9.481 -8.800 11.120 721 HA SER 84 HA SER 84 -12.104 -9.087 12.337 722 HB2 SER 84 HB2 SER 84 -11.958 -11.080 10.558 723 HB3 SER 84 HB1 SER 84 -12.386 -9.427 10.099 724 HG SER 84 HG SER 84 -9.706 -10.523 9.975 725 H GLU 85 HN GLU 85 -8.977 -10.253 12.646 726 HA GLU 85 HA GLU 85 -9.807 -12.655 14.108 727 HB2 GLU 85 HB2 GLU 85 -7.831 -13.815 13.185 728 HB3 GLU 85 HB1 GLU 85 -8.925 -13.288 11.920 729 HG2 GLU 85 HG2 GLU 85 -6.252 -12.071 12.655 730 HG3 GLU 85 HG1 GLU 85 -6.667 -12.926 11.172 731 H VAL 86 HN VAL 86 -7.257 -10.240 13.717 732 HA VAL 86 HA VAL 86 -5.816 -10.907 16.054 733 HB VAL 86 HB VAL 86 -5.969 -8.213 14.632 734 HG11 VAL 86 HG11 VAL 86 -3.869 -9.246 16.534 735 HG12 VAL 86 HG12 VAL 86 -5.050 -7.996 16.905 736 HG13 VAL 86 HG13 VAL 86 -3.811 -7.703 15.685 737 HG21 VAL 86 HG21 VAL 86 -3.990 -10.478 14.335 738 HG22 VAL 86 HG22 VAL 86 -3.894 -8.920 13.523 739 HG23 VAL 86 HG23 VAL 86 -5.221 -10.018 13.162 740 H TYR 87 HN TYR 87 -8.603 -8.966 15.516 741 HA TYR 87 HA TYR 87 -8.766 -7.541 17.922 742 HB2 TYR 87 HB2 TYR 87 -10.163 -6.780 16.181 743 HB3 TYR 87 HB1 TYR 87 -10.828 -8.378 15.895 744 HD1 TYR 87 HD2 TYR 87 -10.712 -5.752 18.576 745 HD2 TYR 87 HD1 TYR 87 -12.937 -8.861 16.706 746 HE1 TYR 87 HE2 TYR 87 -12.630 -5.254 20.028 747 HE2 TYR 87 HE1 TYR 87 -14.851 -8.371 18.153 748 HH TYR 87 HH TYR 87 -15.308 -7.387 20.227 749 H SER 88 HN SER 88 -9.527 -10.889 17.242 750 HA SER 88 HA SER 88 -11.411 -11.405 19.208 751 HB2 SER 88 HB2 SER 88 -9.294 -13.284 18.200 752 HB3 SER 88 HB1 SER 88 -10.894 -13.688 18.841 753 HG SER 88 HG SER 88 -10.952 -13.722 16.620 754 H GLU 89 HN GLU 89 -7.937 -11.057 19.498 755 HA GLU 89 HA GLU 89 -7.885 -12.211 22.171 756 HB2 GLU 89 HB2 GLU 89 -5.746 -10.848 20.559 757 HB3 GLU 89 HB1 GLU 89 -5.496 -11.646 22.100 758 HG2 GLU 89 HG2 GLU 89 -6.044 -13.785 21.122 759 HG3 GLU 89 HG1 GLU 89 -6.426 -13.010 19.580 760 H ALA 90 HN ALA 90 -8.334 -9.180 20.663 761 HA ALA 90 HA ALA 90 -7.492 -7.728 23.048 762 HB1 ALA 90 HB1 ALA 90 -7.443 -5.726 21.658 763 HB2 ALA 90 HB2 ALA 90 -8.037 -6.650 20.279 764 HB3 ALA 90 HB3 ALA 90 -6.441 -6.993 20.950 765 H VAL 91 HN VAL 91 -9.463 -8.710 23.905 766 HA VAL 91 HA VAL 91 -11.848 -7.266 23.134 767 HB VAL 91 HB VAL 91 -12.972 -8.802 24.924 768 HG11 VAL 91 HG11 VAL 91 -11.795 -9.973 22.386 769 HG12 VAL 91 HG12 VAL 91 -13.267 -9.003 22.472 770 HG13 VAL 91 HG13 VAL 91 -13.210 -10.583 23.246 771 HG21 VAL 91 HG21 VAL 91 -10.423 -10.312 24.400 772 HG22 VAL 91 HG22 VAL 91 -11.842 -10.942 25.229 773 HG23 VAL 91 HG23 VAL 91 -10.920 -9.615 25.939 774 H LYS 92 HN LYS 92 -13.298 -7.058 25.324 775 HA LYS 92 HA LYS 92 -12.485 -4.564 26.214 776 HB2 LYS 92 HB2 LYS 92 -14.649 -6.420 27.141 777 HB3 LYS 92 HB1 LYS 92 -14.364 -4.896 27.958 778 HG2 LYS 92 HG2 LYS 92 -16.178 -4.664 26.370 779 HG3 LYS 92 HG1 LYS 92 -14.805 -3.705 25.847 780 HD2 LYS 92 HD2 LYS 92 -14.207 -5.505 24.250 781 HD3 LYS 92 HD1 LYS 92 -15.643 -6.392 24.766 782 HE2 LYS 92 HE2 LYS 92 -17.061 -4.550 24.022 783 HE3 LYS 92 HE1 LYS 92 -15.635 -3.636 23.548 784 HZ1 LYS 92 HZ1 LYS 92 -16.699 -4.705 21.661 785 HZ2 LYS 92 HZ2 LYS 92 -16.493 -6.221 22.345 786 HZ3 LYS 92 HZ3 LYS 92 -15.153 -5.332 21.863 787 H ARG 93 HN ARG 93 -12.793 -7.430 28.304 788 HA ARG 93 HA ARG 93 -10.592 -6.271 29.826 789 HB2 ARG 93 HB2 ARG 93 -11.654 -6.843 31.966 790 HB3 ARG 93 HB1 ARG 93 -12.610 -5.718 31.028 791 HG2 ARG 93 HG2 ARG 93 -14.217 -7.154 31.911 792 HG3 ARG 93 HG1 ARG 93 -13.953 -7.813 30.303 793 HD2 ARG 93 HD2 ARG 93 -12.439 -9.498 31.224 794 HD3 ARG 93 HD1 ARG 93 -12.664 -8.826 32.834 795 HE ARG 93 HE ARG 93 -15.132 -9.586 31.639 796 HH11 ARG 93 HH11 ARG 93 -12.299 -10.924 33.305 797 HH12 ARG 93 HH12 ARG 93 -13.132 -12.249 33.943 798 HH21 ARG 93 HH21 ARG 93 -16.263 -11.406 32.475 799 HH22 ARG 93 HH22 ARG 93 -15.476 -12.555 33.448 800 H ILE 94 HN ILE 94 -11.823 -9.048 28.344 801 HA ILE 94 HA ILE 94 -10.440 -10.857 30.055 802 HB ILE 94 HB ILE 94 -11.826 -11.384 27.412 803 HG12 ILE 94 HG12 ILE 94 -12.622 -12.013 30.262 804 HG13 ILE 94 HG11 ILE 94 -13.311 -10.732 29.279 805 HG21 ILE 94 HG21 ILE 94 -10.645 -13.354 29.388 806 HG22 ILE 94 HG22 ILE 94 -10.047 -13.035 27.760 807 HG23 ILE 94 HG23 ILE 94 -11.630 -13.775 27.990 808 HD11 ILE 94 HD11 ILE 94 -14.775 -12.665 29.387 809 HD12 ILE 94 HD12 ILE 94 -13.497 -13.683 28.713 810 HD13 ILE 94 HD13 ILE 94 -14.204 -12.395 27.742 811 H LEU 95 HN LEU 95 -8.345 -10.778 30.051 812 HA LEU 95 HA LEU 95 -7.000 -11.096 27.488 813 HB2 LEU 95 HB2 LEU 95 -6.740 -8.770 28.403 814 HB3 LEU 95 HB1 LEU 95 -6.012 -9.459 29.838 815 HG LEU 95 HG LEU 95 -4.160 -10.334 28.441 816 HD11 LEU 95 HD11 LEU 95 -3.886 -9.485 26.161 817 HD12 LEU 95 HD12 LEU 95 -5.498 -8.769 26.238 818 HD13 LEU 95 HD13 LEU 95 -5.301 -10.521 26.314 819 HD21 LEU 95 HD21 LEU 95 -3.930 -8.210 29.610 820 HD22 LEU 95 HD22 LEU 95 -4.648 -7.365 28.242 821 HD23 LEU 95 HD23 LEU 95 -3.086 -8.167 28.062 822 H LYS 47 H LYS 47 9.531 -4.596 24.517 823 HA LYS 47 HA LYS 47 10.073 -1.696 24.735 824 HB2 LYS 47 HB2 LYS 47 11.438 -2.928 23.031 825 HB3 LYS 47 HB1 LYS 47 9.953 -3.516 22.301 826 HG2 LYS 47 HG2 LYS 47 9.331 -1.136 21.845 827 HG3 LYS 47 HG1 LYS 47 10.930 -0.669 22.417 828 HD2 LYS 47 HD2 LYS 47 10.349 -2.505 20.085 829 HD3 LYS 47 HD1 LYS 47 10.857 -0.825 19.968 830 HE2 LYS 47 HE2 LYS 47 12.474 -3.071 21.189 831 HE3 LYS 47 HE1 LYS 47 12.706 -2.399 19.585 832 HZ1 LYS 47 HZ1 LYS 47 13.035 -0.888 22.129 833 HZ2 LYS 47 HZ2 LYS 47 13.297 -0.288 20.568 834 HZ3 LYS 47 HZ3 LYS 47 14.275 -1.492 21.169 835 H GLN 48 HN GLN 48 8.332 -0.400 23.908 836 HA GLN 48 HA GLN 48 5.771 -1.559 24.194 837 HB2 GLN 48 HB2 GLN 48 4.907 0.643 23.534 838 HB3 GLN 48 HB1 GLN 48 6.116 0.760 24.796 839 HG2 GLN 48 HG2 GLN 48 7.774 1.401 23.079 840 HG3 GLN 48 HG1 GLN 48 6.483 1.373 21.877 841 HE21 GLN 48 HE21 GLN 48 6.708 3.597 21.456 842 HE22 GLN 48 HE22 GLN 48 6.157 4.761 22.600 843 H THR 49 HN THR 49 4.153 -1.794 22.546 844 HA THR 49 HA THR 49 5.495 -2.590 20.133 845 HB THR 49 HB THR 49 3.389 -4.021 19.836 846 HG1 THR 49 HG1 THR 49 3.221 -3.934 22.627 847 HG21 THR 49 HG21 THR 49 5.345 -4.538 22.076 848 HG22 THR 49 HG22 THR 49 5.589 -4.929 20.375 849 HG23 THR 49 HG23 THR 49 4.345 -5.768 21.305 850 H LEU 50 HN LEU 50 5.454 -1.017 18.697 851 HA LEU 50 HA LEU 50 2.971 0.241 17.966 852 HB2 LEU 50 HB2 LEU 50 5.776 0.417 16.937 853 HB3 LEU 50 HB1 LEU 50 4.439 1.135 16.067 854 HG LEU 50 HG LEU 50 3.927 2.411 18.205 855 HD11 LEU 50 HD11 LEU 50 6.711 1.563 18.937 856 HD12 LEU 50 HD12 LEU 50 5.210 1.093 19.731 857 HD13 LEU 50 HD13 LEU 50 5.732 2.781 19.771 858 HD21 LEU 50 HD21 LEU 50 6.475 2.955 16.727 859 HD22 LEU 50 HD22 LEU 50 5.551 4.129 17.693 860 HD23 LEU 50 HD23 LEU 50 4.829 3.386 16.255 861 H LEU 51 HN LEU 51 4.305 -2.604 17.646 862 HA LEU 51 HA LEU 51 3.141 -3.287 15.072 863 HB2 LEU 51 HB2 LEU 51 4.984 -5.088 15.060 864 HB3 LEU 51 HB1 LEU 51 5.460 -3.447 14.681 865 HG LEU 51 HG LEU 51 6.183 -3.264 17.130 866 HD11 LEU 51 HD11 LEU 51 5.984 -6.254 17.005 867 HD12 LEU 51 HD12 LEU 51 5.080 -5.170 18.057 868 HD13 LEU 51 HD13 LEU 51 6.827 -5.326 18.246 869 HD21 LEU 51 HD21 LEU 51 7.659 -5.131 15.296 870 HD22 LEU 51 HD22 LEU 51 8.353 -4.307 16.691 871 HD23 LEU 51 HD23 LEU 51 7.775 -3.372 15.312 872 H SER 52 HN SER 52 2.866 -5.950 15.204 873 HA SER 52 HA SER 52 2.169 -7.091 17.646 874 HB2 SER 52 HB2 SER 52 0.564 -5.348 17.964 875 HB3 SER 52 HB1 SER 52 0.017 -5.406 16.308 876 HG SER 52 HG SER 52 -0.570 -7.082 18.502 877 H ASP 53 HN ASP 53 0.134 -8.772 16.957 878 HA ASP 53 HA ASP 53 1.276 -10.410 14.937 879 HB2 ASP 53 HB2 ASP 53 -0.227 -11.207 16.811 880 HB3 ASP 53 HB1 ASP 53 -1.589 -10.566 15.891 881 H GLU 54 HN GLU 54 -0.925 -7.858 14.928 882 HA GLU 54 HA GLU 54 -2.174 -8.255 12.447 883 HB2 GLU 54 HB2 GLU 54 -2.766 -5.895 12.560 884 HB3 GLU 54 HB1 GLU 54 -3.036 -6.731 14.087 885 HG2 GLU 54 HG2 GLU 54 -1.340 -5.719 15.115 886 HG3 GLU 54 HG1 GLU 54 -0.532 -5.204 13.620 887 H ASP 55 HN ASP 55 1.077 -7.410 13.144 888 HA ASP 55 HA ASP 55 1.391 -6.403 10.371 889 HB2 ASP 55 HB2 ASP 55 3.502 -5.540 10.919 890 HB3 ASP 55 HB1 ASP 55 2.631 -5.254 12.411 891 H ALA 56 HN ALA 56 2.144 -9.083 12.368 892 HA ALA 56 HA ALA 56 3.650 -10.438 10.430 893 HB1 ALA 56 HB1 ALA 56 1.946 -11.607 12.628 894 HB2 ALA 56 HB2 ALA 56 3.620 -11.077 12.796 895 HB3 ALA 56 HB3 ALA 56 3.230 -12.445 11.757 896 H GLU 57 HN GLU 57 0.222 -10.055 10.868 897 HA GLU 57 HA GLU 57 -0.787 -12.185 9.341 898 HB2 GLU 57 HB2 GLU 57 -2.038 -10.663 10.939 899 HB3 GLU 57 HB1 GLU 57 -1.918 -9.428 9.693 900 HG2 GLU 57 HG2 GLU 57 -4.122 -10.476 9.717 901 HG3 GLU 57 HG1 GLU 57 -3.276 -10.747 8.192 902 H LEU 58 HN LEU 58 0.375 -9.003 8.658 903 HA LEU 58 HA LEU 58 -0.427 -9.088 5.883 904 HB2 LEU 58 HB2 LEU 58 0.765 -6.966 7.631 905 HB3 LEU 58 HB1 LEU 58 0.700 -6.776 5.893 906 HG LEU 58 HG LEU 58 -1.769 -6.959 5.993 907 HD11 LEU 58 HD11 LEU 58 -2.956 -6.727 8.084 908 HD12 LEU 58 HD12 LEU 58 -1.437 -6.957 8.959 909 HD13 LEU 58 HD13 LEU 58 -2.083 -8.254 7.952 910 HD21 LEU 58 HD21 LEU 58 -2.176 -4.763 6.896 911 HD22 LEU 58 HD22 LEU 58 -0.626 -4.796 6.031 912 HD23 LEU 58 HD23 LEU 58 -0.660 -4.839 7.788 913 H VAL 59 HN VAL 59 2.286 -9.592 7.840 914 HA VAL 59 HA VAL 59 4.368 -9.294 5.978 915 HB VAL 59 HB VAL 59 4.122 -10.936 8.513 916 HG11 VAL 59 HG11 VAL 59 6.519 -11.133 8.488 917 HG12 VAL 59 HG12 VAL 59 6.516 -10.586 6.788 918 HG13 VAL 59 HG13 VAL 59 5.705 -12.103 7.250 919 HG21 VAL 59 HG21 VAL 59 4.183 -8.526 8.834 920 HG22 VAL 59 HG22 VAL 59 5.668 -8.426 7.897 921 HG23 VAL 59 HG23 VAL 59 5.659 -9.262 9.446 922 H GLU 60 HN GLU 60 2.354 -12.090 6.850 923 HA GLU 60 HA GLU 60 3.679 -13.762 4.990 924 HB2 GLU 60 HB2 GLU 60 1.748 -15.337 5.314 925 HB3 GLU 60 HB1 GLU 60 2.620 -14.897 6.770 926 HG2 GLU 60 HG2 GLU 60 0.879 -13.447 7.465 927 HG3 GLU 60 HG1 GLU 60 0.071 -13.580 5.903 928 H ILE 61 HN ILE 61 1.194 -11.467 4.661 929 HA ILE 61 HA ILE 61 0.158 -12.481 2.189 930 HB ILE 61 HB ILE 61 -0.202 -9.797 3.572 931 HG12 ILE 61 HG12 ILE 61 -2.080 -12.145 3.236 932 HG13 ILE 61 HG11 ILE 61 -1.189 -11.750 4.703 933 HG21 ILE 61 HG21 ILE 61 -1.623 -10.860 1.113 934 HG22 ILE 61 HG22 ILE 61 -0.482 -9.514 1.141 935 HG23 ILE 61 HG23 ILE 61 -2.034 -9.375 1.971 936 HD11 ILE 61 HD11 ILE 61 -2.433 -9.655 4.880 937 HD12 ILE 61 HD12 ILE 61 -3.511 -11.052 4.845 938 HD13 ILE 61 HD13 ILE 61 -3.312 -10.054 3.404 939 H VAL 62 HN VAL 62 2.432 -9.940 3.107 940 HA VAL 62 HA VAL 62 2.820 -9.073 0.449 941 HB VAL 62 HB VAL 62 3.215 -7.437 2.200 942 HG11 VAL 62 HG11 VAL 62 3.905 -8.891 3.982 943 HG12 VAL 62 HG12 VAL 62 5.056 -7.570 3.767 944 HG13 VAL 62 HG13 VAL 62 5.446 -9.189 3.174 945 HG21 VAL 62 HG21 VAL 62 5.400 -6.548 1.603 946 HG22 VAL 62 HG22 VAL 62 4.589 -7.176 0.163 947 HG23 VAL 62 HG23 VAL 62 5.863 -8.109 0.941 948 H LYS 63 HN LYS 63 4.613 -11.279 2.519 949 HA LYS 63 HA LYS 63 6.817 -11.697 0.830 950 HB2 LYS 63 HB2 LYS 63 7.220 -13.728 2.096 951 HB3 LYS 63 HB1 LYS 63 6.636 -12.480 3.193 952 HG2 LYS 63 HG2 LYS 63 4.409 -13.446 3.099 953 HG3 LYS 63 HG1 LYS 63 5.031 -14.742 2.086 954 HD2 LYS 63 HD2 LYS 63 5.976 -14.100 4.869 955 HD3 LYS 63 HD1 LYS 63 4.874 -15.405 4.437 956 HE2 LYS 63 HE2 LYS 63 6.680 -16.280 2.937 957 HE3 LYS 63 HE1 LYS 63 7.739 -15.069 3.625 958 HZ1 LYS 63 HZ1 LYS 63 7.991 -17.174 4.765 959 HZ2 LYS 63 HZ2 LYS 63 6.356 -17.157 5.188 960 HZ3 LYS 63 HZ3 LYS 63 7.396 -15.981 5.810 961 H GLU 64 HN GLU 64 3.619 -13.085 0.812 962 HA GLU 64 HA GLU 64 3.901 -15.071 -1.148 963 HB2 GLU 64 HB2 GLU 64 1.925 -15.148 0.067 964 HB3 GLU 64 HB1 GLU 64 1.660 -13.421 -0.062 965 HG2 GLU 64 HG2 GLU 64 -0.008 -14.409 -1.407 966 HG3 GLU 64 HG1 GLU 64 1.232 -13.771 -2.461 967 H ARG 65 HN ARG 65 2.980 -11.655 -1.391 968 HA ARG 65 HA ARG 65 2.818 -11.918 -4.240 969 HB2 ARG 65 HB2 ARG 65 2.550 -9.463 -2.518 970 HB3 ARG 65 HB1 ARG 65 2.231 -9.529 -4.251 971 HG2 ARG 65 HG2 ARG 65 0.510 -11.251 -3.811 972 HG3 ARG 65 HG1 ARG 65 0.776 -11.018 -2.085 973 HD2 ARG 65 HD2 ARG 65 0.173 -8.653 -2.355 974 HD3 ARG 65 HD1 ARG 65 -0.167 -8.960 -4.060 975 HE ARG 65 HE ARG 65 -1.592 -10.701 -2.291 976 HH11 ARG 65 HH11 ARG 65 -1.665 -7.669 -4.043 977 HH12 ARG 65 HH12 ARG 65 -3.322 -7.368 -3.764 978 HH21 ARG 65 HH21 ARG 65 -3.821 -10.359 -1.893 979 HH22 ARG 65 HH22 ARG 65 -4.615 -8.941 -2.398 980 H LEU 66 HN LEU 66 5.248 -11.393 -2.081 981 HA LEU 66 HA LEU 66 6.838 -9.825 -3.926 982 HB2 LEU 66 HB2 LEU 66 7.565 -11.004 -1.263 983 HB3 LEU 66 HB1 LEU 66 8.747 -10.239 -2.301 984 HG LEU 66 HG LEU 66 6.341 -8.913 -1.059 985 HD11 LEU 66 HD11 LEU 66 8.026 -7.646 0.200 986 HD12 LEU 66 HD12 LEU 66 9.298 -8.627 -0.532 987 HD13 LEU 66 HD13 LEU 66 8.110 -9.375 0.536 988 HD21 LEU 66 HD21 LEU 66 8.499 -7.774 -2.847 989 HD22 LEU 66 HD22 LEU 66 7.301 -6.825 -1.973 990 HD23 LEU 66 HD23 LEU 66 6.787 -7.923 -3.247 991 H ARG 67 HN ARG 67 6.285 -13.143 -3.418 992 HA ARG 67 HA ARG 67 8.774 -14.028 -4.449 993 HB2 ARG 67 HB2 ARG 67 7.769 -16.238 -4.767 994 HB3 ARG 67 HB1 ARG 67 7.340 -15.588 -3.198 995 HG2 ARG 67 HG2 ARG 67 5.134 -14.940 -4.158 996 HG3 ARG 67 HG1 ARG 67 5.598 -15.779 -5.640 997 HD2 ARG 67 HD2 ARG 67 5.845 -17.872 -4.375 998 HD3 ARG 67 HD1 ARG 67 5.437 -16.983 -2.901 999 HE ARG 67 HE ARG 67 3.244 -16.546 -3.949 1000 HH11 ARG 67 HH11 ARG 67 5.038 -19.370 -5.125 1001 HH12 ARG 67 HH12 ARG 67 3.667 -20.364 -5.234 1002 HH21 ARG 67 HH21 ARG 67 1.430 -17.832 -4.117 1003 HH22 ARG 67 HH22 ARG 67 1.505 -19.455 -4.694 1004 H ASN 68 HN ASN 68 5.833 -12.996 -5.971 1005 HA ASN 68 HA ASN 68 7.258 -12.389 -8.323 1006 HB2 ASN 68 HB2 ASN 68 6.759 -14.880 -8.638 1007 HB3 ASN 68 HB1 ASN 68 5.059 -14.433 -8.724 1008 HD21 ASN 68 HD21 ASN 68 7.789 -12.566 -10.018 1009 HD22 ASN 68 HD22 ASN 68 7.343 -12.723 -11.655 1010 HA PRO 69 HA PRO 69 3.609 -9.814 -7.524 1011 HB2 PRO 69 HB2 PRO 69 5.042 -7.475 -7.937 1012 HB3 PRO 69 HB1 PRO 69 4.642 -8.204 -6.377 1013 HG2 PRO 69 HG2 PRO 69 7.215 -7.953 -7.590 1014 HG3 PRO 69 HG1 PRO 69 6.813 -8.758 -6.069 1015 HD2 PRO 69 HD2 PRO 69 7.380 -9.932 -8.707 1016 HD3 PRO 69 HD1 PRO 69 7.392 -10.682 -7.103 1017 H LYS 70 HN LYS 70 6.005 -8.735 -9.962 1018 HA LYS 70 HA LYS 70 5.852 -7.661 -11.892 1019 HB2 LYS 70 HB2 LYS 70 3.151 -9.005 -12.091 1020 HB3 LYS 70 HB1 LYS 70 3.632 -7.802 -13.261 1021 HG2 LYS 70 HG2 LYS 70 4.033 -9.927 -14.217 1022 HG3 LYS 70 HG1 LYS 70 5.597 -9.244 -13.807 1023 HD2 LYS 70 HD2 LYS 70 5.739 -10.648 -11.857 1024 HD3 LYS 70 HD1 LYS 70 4.100 -11.247 -12.132 1025 HE2 LYS 70 HE2 LYS 70 6.401 -11.571 -14.048 1026 HE3 LYS 70 HE1 LYS 70 5.847 -12.813 -12.926 1027 HZ1 LYS 70 HZ1 LYS 70 3.734 -12.848 -14.070 1028 HZ2 LYS 70 HZ2 LYS 70 4.980 -13.134 -15.142 1029 HZ3 LYS 70 HZ3 LYS 70 4.232 -11.629 -15.130 1030 HA PRO 71 HA PRO 71 3.809 -4.170 -9.999 1031 HB2 PRO 71 HB2 PRO 71 5.883 -2.454 -10.225 1032 HB3 PRO 71 HB1 PRO 71 5.728 -3.599 -8.890 1033 HG2 PRO 71 HG2 PRO 71 7.481 -3.710 -11.287 1034 HG3 PRO 71 HG1 PRO 71 7.783 -4.311 -9.648 1035 HD2 PRO 71 HD2 PRO 71 7.003 -5.859 -11.836 1036 HD3 PRO 71 HD1 PRO 71 6.893 -6.339 -10.132 1037 H VAL 72 HN VAL 72 2.512 -3.105 -11.191 1038 HA VAL 72 HA VAL 72 3.165 -2.397 -13.928 1039 HB VAL 72 HB VAL 72 0.533 -2.189 -12.422 1040 HG11 VAL 72 HG11 VAL 72 0.680 -0.631 -14.291 1041 HG12 VAL 72 HG12 VAL 72 -0.488 -1.906 -14.626 1042 HG13 VAL 72 HG13 VAL 72 1.109 -1.956 -15.371 1043 HG21 VAL 72 HG21 VAL 72 1.159 -4.512 -12.629 1044 HG22 VAL 72 HG22 VAL 72 1.503 -4.297 -14.341 1045 HG23 VAL 72 HG23 VAL 72 -0.156 -4.163 -13.755 1046 H ARG 73 HN ARG 73 4.036 -0.497 -14.144 1047 HA ARG 73 HA ARG 73 4.095 1.466 -12.109 1048 HB2 ARG 73 HB2 ARG 73 5.834 1.010 -13.938 1049 HB3 ARG 73 HB1 ARG 73 4.744 1.798 -15.050 1050 HG2 ARG 73 HG2 ARG 73 6.014 3.129 -12.652 1051 HG3 ARG 73 HG1 ARG 73 6.606 3.244 -14.302 1052 HD2 ARG 73 HD2 ARG 73 3.990 4.223 -13.208 1053 HD3 ARG 73 HD1 ARG 73 5.331 5.225 -13.734 1054 HE ARG 73 HE ARG 73 4.481 3.524 -15.825 1055 HH11 ARG 73 HH11 ARG 73 3.677 6.577 -14.301 1056 HH12 ARG 73 HH12 ARG 73 2.455 6.993 -15.420 1057 HH21 ARG 73 HH21 ARG 73 2.745 4.064 -17.365 1058 HH22 ARG 73 HH22 ARG 73 1.892 5.521 -17.185 1059 H VAL 74 HN VAL 74 2.574 2.907 -11.678 1060 HA VAL 74 HA VAL 74 0.863 3.906 -13.808 1061 HB VAL 74 HB VAL 74 -1.153 3.796 -12.267 1062 HG11 VAL 74 HG11 VAL 74 -1.673 1.433 -12.685 1063 HG12 VAL 74 HG12 VAL 74 0.019 1.146 -13.089 1064 HG13 VAL 74 HG13 VAL 74 -0.960 2.216 -14.095 1065 HG21 VAL 74 HG21 VAL 74 0.002 3.472 -10.166 1066 HG22 VAL 74 HG22 VAL 74 0.598 1.899 -10.713 1067 HG23 VAL 74 HG23 VAL 74 -1.128 2.148 -10.453 1068 H THR 75 HN THR 75 -0.624 5.638 -12.699 1069 HA THR 75 HA THR 75 0.836 7.257 -10.760 1070 HB THR 75 HB THR 75 -0.059 9.271 -12.013 1071 HG1 THR 75 HG1 THR 75 -0.467 7.352 -14.097 1072 HG21 THR 75 HG21 THR 75 2.305 8.676 -12.193 1073 HG22 THR 75 HG22 THR 75 1.705 9.292 -13.730 1074 HG23 THR 75 HG23 THR 75 1.935 7.559 -13.507 1075 H LEU 76 HN LEU 76 -0.749 8.850 -9.750 1076 HA LEU 76 HA LEU 76 -3.173 7.470 -9.060 1077 HB2 LEU 76 HB2 LEU 76 -2.174 10.207 -8.309 1078 HB3 LEU 76 HB1 LEU 76 -3.604 9.455 -7.632 1079 HG LEU 76 HG LEU 76 -0.848 8.320 -7.424 1080 HD11 LEU 76 HD11 LEU 76 -0.983 10.462 -6.226 1081 HD12 LEU 76 HD12 LEU 76 -0.898 9.121 -5.085 1082 HD13 LEU 76 HD13 LEU 76 -2.445 9.913 -5.401 1083 HD21 LEU 76 HD21 LEU 76 -3.424 7.633 -6.016 1084 HD22 LEU 76 HD22 LEU 76 -1.833 6.965 -5.627 1085 HD23 LEU 76 HD23 LEU 76 -2.549 6.652 -7.197 1086 H ASP 77 HN ASP 77 -2.268 9.805 -11.340 1087 HA ASP 77 HA ASP 77 -4.749 11.147 -11.667 1088 HB2 ASP 77 HB2 ASP 77 -2.551 12.050 -12.448 1089 HB3 ASP 77 HB1 ASP 77 -2.512 10.808 -13.686 1090 H GLU 78 HN GLU 78 -3.294 8.273 -13.037 1091 HA GLU 78 HA GLU 78 -5.462 7.945 -14.913 1092 HB2 GLU 78 HB2 GLU 78 -4.256 5.987 -15.703 1093 HB3 GLU 78 HB1 GLU 78 -3.180 7.373 -15.592 1094 HG2 GLU 78 HG2 GLU 78 -2.370 6.515 -13.436 1095 HG3 GLU 78 HG1 GLU 78 -3.356 5.076 -13.655 1096 H LEU 79 HN LEU 79 -5.073 7.266 -11.653 1097 HA LEU 79 HA LEU 79 -6.655 4.827 -11.797 1098 HB2 LEU 79 HB2 LEU 79 -5.770 6.377 -9.353 1099 HB3 LEU 79 HB1 LEU 79 -6.512 4.796 -9.356 1100 HG LEU 79 HG LEU 79 -3.744 5.517 -10.293 1101 HD11 LEU 79 HD11 LEU 79 -3.035 4.045 -8.499 1102 HD12 LEU 79 HD12 LEU 79 -4.715 3.765 -8.054 1103 HD13 LEU 79 HD13 LEU 79 -4.022 5.376 -7.890 1104 HD21 LEU 79 HD21 LEU 79 -5.127 2.832 -10.403 1105 HD22 LEU 79 HD22 LEU 79 -3.419 3.131 -10.727 1106 HD23 LEU 79 HD23 LEU 79 -4.647 3.818 -11.788 Start of MODEL 14 1 H MET 1 H MET 1 5.739 14.567 -9.202 2 HA MET 1 HA MET 1 4.811 13.639 -7.315 3 HB2 MET 1 HB2 MET 1 4.581 11.122 -9.005 4 HB3 MET 1 HB1 MET 1 4.333 11.156 -7.261 5 HG2 MET 1 HG2 MET 1 2.451 12.636 -7.505 6 HG3 MET 1 HG1 MET 1 2.741 12.791 -9.224 7 HE1 MET 1 HE1 MET 1 -0.656 10.922 -9.117 8 HE2 MET 1 HE2 MET 1 0.239 12.308 -9.736 9 HE3 MET 1 HE3 MET 1 -0.094 12.174 -8.009 10 H ALA 2 HN ALA 2 6.383 13.150 -5.826 11 HA ALA 2 HA ALA 2 9.053 13.156 -6.723 12 HB1 ALA 2 HB1 ALA 2 9.694 12.923 -4.393 13 HB2 ALA 2 HB2 ALA 2 8.059 12.415 -3.976 14 HB3 ALA 2 HB3 ALA 2 8.349 14.061 -4.531 15 H TYR 3 HN TYR 3 7.179 10.586 -5.240 16 HA TYR 3 HA TYR 3 9.081 8.651 -6.321 17 HB2 TYR 3 HB2 TYR 3 6.947 8.443 -4.199 18 HB3 TYR 3 HB1 TYR 3 7.704 7.016 -4.891 19 HD1 TYR 3 HD1 TYR 3 8.441 10.143 -2.997 20 HD2 TYR 3 HD2 TYR 3 9.717 6.215 -3.986 21 HE1 TYR 3 HE1 TYR 3 10.209 10.299 -1.305 22 HE2 TYR 3 HE2 TYR 3 11.495 6.357 -2.299 23 HH TYR 3 HH TYR 3 12.786 8.132 -1.135 24 H PHE 4 HN PHE 4 8.355 7.073 -7.710 25 HA PHE 4 HA PHE 4 5.968 7.744 -9.192 26 HB2 PHE 4 HB2 PHE 4 7.737 5.298 -9.494 27 HB3 PHE 4 HB1 PHE 4 6.601 5.933 -10.679 28 HD1 PHE 4 HD2 PHE 4 7.088 8.586 -11.149 29 HD2 PHE 4 HD1 PHE 4 9.934 5.652 -9.979 30 HE1 PHE 4 HE2 PHE 4 8.893 9.959 -12.094 31 HE2 PHE 4 HE1 PHE 4 11.738 7.016 -10.914 32 HZ PHE 4 HZ PHE 4 11.224 9.176 -11.973 33 H LEU 5 HN LEU 5 4.299 5.837 -9.654 34 HA LEU 5 HA LEU 5 3.898 4.528 -7.086 35 HB2 LEU 5 HB2 LEU 5 2.322 6.363 -7.503 36 HB3 LEU 5 HB1 LEU 5 1.920 5.655 -9.044 37 HG LEU 5 HG LEU 5 0.865 3.785 -7.957 38 HD11 LEU 5 HD11 LEU 5 2.235 3.682 -5.900 39 HD12 LEU 5 HD12 LEU 5 0.520 3.796 -5.507 40 HD13 LEU 5 HD13 LEU 5 1.551 5.219 -5.368 41 HD21 LEU 5 HD21 LEU 5 -0.995 5.066 -6.924 42 HD22 LEU 5 HD22 LEU 5 -0.465 5.670 -8.489 43 HD23 LEU 5 HD23 LEU 5 0.028 6.495 -7.012 44 H ASP 6 HN ASP 6 3.478 2.408 -7.114 45 HA ASP 6 HA ASP 6 2.922 1.063 -9.675 46 HB2 ASP 6 HB2 ASP 6 5.117 0.280 -7.754 47 HB3 ASP 6 HB1 ASP 6 4.326 -0.918 -8.755 48 H PHE 7 HN PHE 7 1.740 -0.763 -9.503 49 HA PHE 7 HA PHE 7 0.936 -1.631 -6.831 50 HB2 PHE 7 HB2 PHE 7 -0.866 -0.863 -9.093 51 HB3 PHE 7 HB1 PHE 7 -1.386 -2.103 -7.974 52 HD1 PHE 7 HD1 PHE 7 -0.532 1.435 -8.363 53 HD2 PHE 7 HD2 PHE 7 -2.115 -1.524 -5.779 54 HE1 PHE 7 HE1 PHE 7 -1.410 3.189 -6.902 55 HE2 PHE 7 HE2 PHE 7 -2.995 0.234 -4.296 56 HZ PHE 7 HZ PHE 7 -2.644 2.598 -4.861 57 H ASP 8 HN ASP 8 0.768 -3.735 -6.611 58 HA ASP 8 HA ASP 8 1.651 -5.543 -8.586 59 HB2 ASP 8 HB2 ASP 8 1.940 -6.314 -6.394 60 HB3 ASP 8 HB1 ASP 8 0.365 -5.735 -5.878 61 H GLU 9 HN GLU 9 0.413 -6.999 -9.834 62 HA GLU 9 HA GLU 9 -1.912 -5.857 -10.867 63 HB2 GLU 9 HB2 GLU 9 -0.790 -8.583 -11.321 64 HB3 GLU 9 HB1 GLU 9 -2.227 -7.986 -12.139 65 HG2 GLU 9 HG2 GLU 9 -0.819 -6.050 -12.912 66 HG3 GLU 9 HG1 GLU 9 0.576 -6.959 -12.329 67 H ARG 10 HN ARG 10 -1.648 -8.105 -8.242 68 HA ARG 10 HA ARG 10 -4.443 -8.714 -8.420 69 HB2 ARG 10 HB2 ARG 10 -2.272 -9.423 -6.511 70 HB3 ARG 10 HB1 ARG 10 -3.930 -9.501 -5.949 71 HG2 ARG 10 HG2 ARG 10 -2.791 -10.990 -8.301 72 HG3 ARG 10 HG1 ARG 10 -3.121 -11.667 -6.704 73 HD2 ARG 10 HD2 ARG 10 -5.119 -10.610 -8.710 74 HD3 ARG 10 HD1 ARG 10 -4.939 -12.252 -8.113 75 HE ARG 10 HE ARG 10 -5.665 -10.123 -6.216 76 HH11 ARG 10 HH11 ARG 10 -6.571 -13.103 -7.922 77 HH12 ARG 10 HH12 ARG 10 -8.007 -13.316 -7.034 78 HH21 ARG 10 HH21 ARG 10 -7.637 -10.367 -5.102 79 HH22 ARG 10 HH22 ARG 10 -8.655 -11.708 -5.405 80 H ALA 11 HN ALA 11 -2.326 -6.676 -6.539 81 HA ALA 11 HA ALA 11 -4.117 -5.504 -4.778 82 HB1 ALA 11 HB1 ALA 11 -1.707 -5.068 -4.727 83 HB2 ALA 11 HB2 ALA 11 -2.620 -3.559 -4.723 84 HB3 ALA 11 HB3 ALA 11 -1.844 -4.118 -6.205 85 H LEU 12 HN LEU 12 -3.591 -4.774 -8.146 86 HA LEU 12 HA LEU 12 -5.208 -2.511 -8.555 87 HB2 LEU 12 HB2 LEU 12 -4.850 -4.905 -10.340 88 HB3 LEU 12 HB1 LEU 12 -5.523 -3.373 -10.862 89 HG LEU 12 HG LEU 12 -2.671 -3.893 -9.983 90 HD11 LEU 12 HD11 LEU 12 -2.135 -3.559 -12.322 91 HD12 LEU 12 HD12 LEU 12 -3.842 -3.333 -12.695 92 HD13 LEU 12 HD13 LEU 12 -3.264 -4.907 -12.143 93 HD21 LEU 12 HD21 LEU 12 -3.361 -1.610 -9.490 94 HD22 LEU 12 HD22 LEU 12 -3.949 -1.425 -11.142 95 HD23 LEU 12 HD23 LEU 12 -2.228 -1.652 -10.840 96 H LYS 13 HN LYS 13 -6.103 -5.905 -8.552 97 HA LYS 13 HA LYS 13 -8.854 -5.434 -9.273 98 HB2 LYS 13 HB2 LYS 13 -7.749 -7.964 -8.060 99 HB3 LYS 13 HB1 LYS 13 -9.093 -7.796 -9.177 100 HG2 LYS 13 HG2 LYS 13 -6.181 -7.372 -9.814 101 HG3 LYS 13 HG1 LYS 13 -7.157 -8.761 -10.270 102 HD2 LYS 13 HD2 LYS 13 -8.464 -7.461 -11.768 103 HD3 LYS 13 HD1 LYS 13 -7.813 -5.948 -11.124 104 HE2 LYS 13 HE2 LYS 13 -5.660 -6.440 -11.967 105 HE3 LYS 13 HE1 LYS 13 -6.158 -8.048 -12.515 106 HZ1 LYS 13 HZ1 LYS 13 -7.175 -5.451 -13.561 107 HZ2 LYS 13 HZ2 LYS 13 -7.646 -6.984 -14.089 108 HZ3 LYS 13 HZ3 LYS 13 -6.068 -6.471 -14.324 109 H GLU 14 HN GLU 14 -6.997 -5.906 -6.440 110 HA GLU 14 HA GLU 14 -8.880 -6.515 -4.535 111 HB2 GLU 14 HB2 GLU 14 -6.153 -5.491 -4.607 112 HB3 GLU 14 HB1 GLU 14 -7.053 -4.986 -3.193 113 HG2 GLU 14 HG2 GLU 14 -5.768 -7.014 -2.738 114 HG3 GLU 14 HG1 GLU 14 -7.490 -7.303 -2.584 115 H TRP 15 HN TRP 15 -7.837 -3.273 -5.699 116 HA TRP 15 HA TRP 15 -9.582 -2.104 -3.766 117 HB2 TRP 15 HB2 TRP 15 -8.926 0.072 -4.455 118 HB3 TRP 15 HB1 TRP 15 -7.496 -0.922 -4.593 119 HD1 TRP 15 HD1 TRP 15 -10.271 0.366 -7.068 120 HE1 TRP 15 HE1 TRP 15 -9.091 1.154 -9.197 121 HE3 TRP 15 HE3 TRP 15 -5.451 -0.876 -5.889 122 HZ2 TRP 15 HZ2 TRP 15 -6.542 1.237 -10.257 123 HZ3 TRP 15 HZ3 TRP 15 -3.715 -0.401 -7.569 124 HH2 TRP 15 HH2 TRP 15 -4.255 0.628 -9.685 125 H ARG 16 HN ARG 16 -9.844 -3.087 -7.005 126 HA ARG 16 HA ARG 16 -11.986 -1.465 -7.851 127 HB2 ARG 16 HB2 ARG 16 -11.345 -4.265 -8.770 128 HB3 ARG 16 HB1 ARG 16 -12.378 -3.117 -9.597 129 HG2 ARG 16 HG2 ARG 16 -9.422 -2.828 -9.136 130 HG3 ARG 16 HG1 ARG 16 -10.195 -3.287 -10.642 131 HD2 ARG 16 HD2 ARG 16 -10.469 -0.680 -9.210 132 HD3 ARG 16 HD1 ARG 16 -9.523 -0.985 -10.657 133 HE ARG 16 HE ARG 16 -12.364 -1.562 -10.839 134 HH11 ARG 16 HH11 ARG 16 -9.736 0.639 -11.657 135 HH12 ARG 16 HH12 ARG 16 -10.690 1.695 -12.579 136 HH21 ARG 16 HH21 ARG 16 -13.678 -0.158 -12.169 137 HH22 ARG 16 HH22 ARG 16 -13.006 1.195 -12.927 138 H LYS 17 HN LYS 17 -11.900 -4.411 -6.000 139 HA LYS 17 HA LYS 17 -14.757 -4.723 -6.284 140 HB2 LYS 17 HB2 LYS 17 -14.466 -6.858 -5.031 141 HB3 LYS 17 HB1 LYS 17 -13.555 -6.755 -6.520 142 HG2 LYS 17 HG2 LYS 17 -12.031 -7.730 -5.104 143 HG3 LYS 17 HG1 LYS 17 -11.584 -6.036 -4.974 144 HD2 LYS 17 HD2 LYS 17 -11.564 -6.977 -2.768 145 HD3 LYS 17 HD1 LYS 17 -12.988 -5.939 -2.877 146 HE2 LYS 17 HE2 LYS 17 -14.425 -7.834 -3.180 147 HE3 LYS 17 HE1 LYS 17 -13.046 -8.924 -3.332 148 HZ1 LYS 17 HZ1 LYS 17 -13.852 -7.443 -0.881 149 HZ2 LYS 17 HZ2 LYS 17 -12.499 -8.451 -1.026 150 HZ3 LYS 17 HZ3 LYS 17 -14.037 -9.094 -1.165 151 H LEU 18 HN LEU 18 -12.840 -2.978 -4.224 152 HA LEU 18 HA LEU 18 -14.679 -3.449 -2.044 153 HB2 LEU 18 HB2 LEU 18 -13.124 -2.128 -0.574 154 HB3 LEU 18 HB1 LEU 18 -12.502 -3.630 -1.202 155 HG LEU 18 HG LEU 18 -11.318 -2.207 -2.956 156 HD11 LEU 18 HD11 LEU 18 -12.501 -0.114 -2.598 157 HD12 LEU 18 HD12 LEU 18 -10.767 0.068 -2.323 158 HD13 LEU 18 HD13 LEU 18 -11.868 -0.048 -0.951 159 HD21 LEU 18 HD21 LEU 18 -9.456 -1.736 -1.448 160 HD22 LEU 18 HD22 LEU 18 -10.143 -3.341 -1.209 161 HD23 LEU 18 HD23 LEU 18 -10.512 -2.043 -0.067 162 H GLY 19 HN GLY 19 -13.719 -0.742 -4.080 163 HA2 GLY 19 HA2 GLY 19 -16.010 0.466 -4.458 164 HA3 GLY 19 HA1 GLY 19 -15.790 0.835 -2.756 165 H SER 20 HN SER 20 -16.030 2.713 -4.858 166 HA SER 20 HA SER 20 -13.470 3.634 -5.628 167 HB2 SER 20 HB2 SER 20 -16.158 4.989 -5.839 168 HB3 SER 20 HB1 SER 20 -14.689 5.444 -6.707 169 HG SER 20 HG SER 20 -15.760 4.162 -8.091 170 H THR 21 HN THR 21 -15.783 4.691 -3.120 171 HA THR 21 HA THR 21 -14.361 7.061 -2.510 172 HB THR 21 HB THR 21 -16.304 5.482 -0.793 173 HG1 THR 21 HG1 THR 21 -16.694 7.827 -2.327 174 HG21 THR 21 HG21 THR 21 -14.961 7.035 0.573 175 HG22 THR 21 HG22 THR 21 -16.627 7.594 0.446 176 HG23 THR 21 HG23 THR 21 -15.367 8.359 -0.520 177 H VAL 22 HN VAL 22 -14.224 3.790 -1.261 178 HA VAL 22 HA VAL 22 -12.400 4.331 0.815 179 HB VAL 22 HB VAL 22 -12.801 1.717 -0.686 180 HG11 VAL 22 HG11 VAL 22 -10.668 1.768 0.493 181 HG12 VAL 22 HG12 VAL 22 -11.796 0.669 1.285 182 HG13 VAL 22 HG13 VAL 22 -11.490 2.262 1.971 183 HG21 VAL 22 HG21 VAL 22 -14.219 1.098 1.204 184 HG22 VAL 22 HG22 VAL 22 -14.845 2.529 0.386 185 HG23 VAL 22 HG23 VAL 22 -13.977 2.692 1.912 186 H ARG 23 HN ARG 23 -11.900 3.414 -2.581 187 HA ARG 23 HA ARG 23 -9.095 3.182 -2.348 188 HB2 ARG 23 HB2 ARG 23 -9.012 2.857 -4.662 189 HB3 ARG 23 HB1 ARG 23 -10.654 2.345 -4.298 190 HG2 ARG 23 HG2 ARG 23 -11.465 4.551 -5.010 191 HG3 ARG 23 HG1 ARG 23 -9.818 5.023 -5.387 192 HD2 ARG 23 HD2 ARG 23 -9.814 2.985 -6.958 193 HD3 ARG 23 HD1 ARG 23 -11.554 3.001 -6.728 194 HE ARG 23 HE ARG 23 -10.476 5.560 -7.419 195 HH11 ARG 23 HH11 ARG 23 -12.062 2.644 -8.653 196 HH12 ARG 23 HH12 ARG 23 -12.231 3.274 -10.240 197 HH21 ARG 23 HH21 ARG 23 -10.707 6.352 -9.615 198 HH22 ARG 23 HH22 ARG 23 -11.457 5.363 -10.788 199 H GLU 24 HN GLU 24 -11.216 5.910 -2.987 200 HA GLU 24 HA GLU 24 -9.167 7.659 -3.863 201 HB2 GLU 24 HB2 GLU 24 -11.919 8.266 -2.800 202 HB3 GLU 24 HB1 GLU 24 -10.832 9.467 -3.477 203 HG2 GLU 24 HG2 GLU 24 -11.964 7.082 -4.929 204 HG3 GLU 24 HG1 GLU 24 -12.502 8.752 -5.110 205 H GLN 25 HN GLN 25 -10.487 6.904 -0.724 206 HA GLN 25 HA GLN 25 -9.174 8.972 0.686 207 HB2 GLN 25 HB2 GLN 25 -10.030 6.216 1.601 208 HB3 GLN 25 HB1 GLN 25 -9.457 7.482 2.677 209 HG2 GLN 25 HG2 GLN 25 -11.342 8.886 2.053 210 HG3 GLN 25 HG1 GLN 25 -11.887 7.653 0.920 211 HE21 GLN 25 HE21 GLN 25 -12.824 5.830 1.682 212 HE22 GLN 25 HE22 GLN 25 -13.436 5.653 3.281 213 H LEU 26 HN LEU 26 -8.265 5.711 -0.212 214 HA LEU 26 HA LEU 26 -5.744 5.641 1.021 215 HB2 LEU 26 HB2 LEU 26 -6.716 4.240 -1.467 216 HB3 LEU 26 HB1 LEU 26 -5.229 3.856 -0.624 217 HG LEU 26 HG LEU 26 -7.997 3.584 0.556 218 HD11 LEU 26 HD11 LEU 26 -6.110 1.495 -0.497 219 HD12 LEU 26 HD12 LEU 26 -7.622 1.999 -1.250 220 HD13 LEU 26 HD13 LEU 26 -7.643 1.190 0.318 221 HD21 LEU 26 HD21 LEU 26 -6.304 4.001 2.251 222 HD22 LEU 26 HD22 LEU 26 -5.280 2.746 1.571 223 HD23 LEU 26 HD23 LEU 26 -6.823 2.315 2.315 224 H LYS 27 HN LYS 27 -6.789 6.781 -2.126 225 HA LYS 27 HA LYS 27 -4.252 7.235 -3.239 226 HB2 LYS 27 HB2 LYS 27 -6.964 8.354 -3.884 227 HB3 LYS 27 HB1 LYS 27 -5.519 8.752 -4.805 228 HG2 LYS 27 HG2 LYS 27 -5.236 6.496 -5.500 229 HG3 LYS 27 HG1 LYS 27 -6.470 5.930 -4.376 230 HD2 LYS 27 HD2 LYS 27 -7.268 6.033 -6.718 231 HD3 LYS 27 HD1 LYS 27 -8.200 7.062 -5.635 232 HE2 LYS 27 HE2 LYS 27 -6.878 8.994 -6.385 233 HE3 LYS 27 HE1 LYS 27 -6.012 7.957 -7.519 234 HZ1 LYS 27 HZ1 LYS 27 -8.085 7.517 -8.653 235 HZ2 LYS 27 HZ2 LYS 27 -7.856 9.178 -8.549 236 HZ3 LYS 27 HZ3 LYS 27 -8.936 8.389 -7.493 237 H LYS 28 HN LYS 28 -6.073 9.072 -0.979 238 HA LYS 28 HA LYS 28 -4.626 11.504 -1.507 239 HB2 LYS 28 HB2 LYS 28 -6.339 10.773 0.873 240 HB3 LYS 28 HB1 LYS 28 -5.686 12.370 0.551 241 HG2 LYS 28 HG2 LYS 28 -7.738 10.878 -1.065 242 HG3 LYS 28 HG1 LYS 28 -7.990 12.330 -0.104 243 HD2 LYS 28 HD2 LYS 28 -6.308 12.085 -2.599 244 HD3 LYS 28 HD1 LYS 28 -7.877 12.858 -2.485 245 HE2 LYS 28 HE2 LYS 28 -5.346 13.779 -1.089 246 HE3 LYS 28 HE1 LYS 28 -6.073 14.534 -2.502 247 HZ1 LYS 28 HZ1 LYS 28 -8.020 15.064 -1.152 248 HZ2 LYS 28 HZ2 LYS 28 -6.629 15.713 -0.463 249 HZ3 LYS 28 HZ3 LYS 28 -7.319 14.336 0.186 250 H LYS 29 HN LYS 29 -4.474 8.932 0.872 251 HA LYS 29 HA LYS 29 -2.264 10.234 2.091 252 HB2 LYS 29 HB2 LYS 29 -2.057 8.247 3.486 253 HB3 LYS 29 HB1 LYS 29 -3.658 8.994 3.520 254 HG2 LYS 29 HG2 LYS 29 -4.184 7.116 1.765 255 HG3 LYS 29 HG1 LYS 29 -2.776 6.338 2.498 256 HD2 LYS 29 HD2 LYS 29 -5.307 7.232 3.890 257 HD3 LYS 29 HD1 LYS 29 -4.722 5.585 3.690 258 HE2 LYS 29 HE2 LYS 29 -2.884 5.994 5.172 259 HE3 LYS 29 HE1 LYS 29 -3.246 7.714 5.240 260 HZ1 LYS 29 HZ1 LYS 29 -4.938 5.522 6.394 261 HZ2 LYS 29 HZ2 LYS 29 -5.362 7.144 6.333 262 HZ3 LYS 29 HZ3 LYS 29 -4.054 6.676 7.228 263 H LEU 30 HN LEU 30 -2.666 8.256 -0.461 264 HA LEU 30 HA LEU 30 0.053 7.408 -0.676 265 HB2 LEU 30 HB2 LEU 30 -2.097 7.549 -2.773 266 HB3 LEU 30 HB1 LEU 30 -0.478 6.972 -3.092 267 HG LEU 30 HG LEU 30 -2.459 5.696 -1.202 268 HD11 LEU 30 HD11 LEU 30 -2.534 3.908 -2.858 269 HD12 LEU 30 HD12 LEU 30 -1.451 4.821 -3.902 270 HD13 LEU 30 HD13 LEU 30 -3.065 5.438 -3.553 271 HD21 LEU 30 HD21 LEU 30 -0.817 3.858 -1.116 272 HD22 LEU 30 HD22 LEU 30 -0.185 5.345 -0.427 273 HD23 LEU 30 HD23 LEU 30 0.314 4.841 -2.045 274 H VAL 31 HN VAL 31 -1.696 10.317 -1.697 275 HA VAL 31 HA VAL 31 0.445 11.099 -3.419 276 HB VAL 31 HB VAL 31 -1.918 12.014 -3.659 277 HG11 VAL 31 HG11 VAL 31 -2.547 14.026 -2.439 278 HG12 VAL 31 HG12 VAL 31 -1.130 13.834 -1.409 279 HG13 VAL 31 HG13 VAL 31 -2.405 12.618 -1.385 280 HG21 VAL 31 HG21 VAL 31 -0.111 12.962 -4.945 281 HG22 VAL 31 HG22 VAL 31 0.325 14.027 -3.609 282 HG23 VAL 31 HG23 VAL 31 -1.215 14.242 -4.444 283 H GLU 32 HN GLU 32 -0.046 11.277 -0.050 284 HA GLU 32 HA GLU 32 2.107 13.211 0.217 285 HB2 GLU 32 HB2 GLU 32 1.669 12.909 2.692 286 HB3 GLU 32 HB1 GLU 32 0.343 13.600 1.768 287 HG2 GLU 32 HG2 GLU 32 -0.719 11.423 1.684 288 HG3 GLU 32 HG1 GLU 32 0.589 10.738 2.640 289 H VAL 33 HN VAL 33 1.509 9.849 0.228 290 HA VAL 33 HA VAL 33 3.822 9.133 1.709 291 HB VAL 33 HB VAL 33 1.581 7.785 1.043 292 HG11 VAL 33 HG11 VAL 33 2.047 5.922 -0.453 293 HG12 VAL 33 HG12 VAL 33 3.596 6.654 -0.862 294 HG13 VAL 33 HG13 VAL 33 2.098 7.474 -1.300 295 HG21 VAL 33 HG21 VAL 33 2.616 5.800 1.865 296 HG22 VAL 33 HG22 VAL 33 3.068 7.257 2.778 297 HG23 VAL 33 HG23 VAL 33 4.207 6.530 1.616 298 H LEU 34 HN LEU 34 3.035 9.702 -1.611 299 HA LEU 34 HA LEU 34 5.452 8.742 -2.751 300 HB2 LEU 34 HB2 LEU 34 3.426 10.712 -3.817 301 HB3 LEU 34 HB1 LEU 34 4.743 10.045 -4.755 302 HG LEU 34 HG LEU 34 2.501 8.409 -3.561 303 HD11 LEU 34 HD11 LEU 34 2.941 9.356 -6.389 304 HD12 LEU 34 HD12 LEU 34 1.684 9.928 -5.292 305 HD13 LEU 34 HD13 LEU 34 1.671 8.256 -5.859 306 HD21 LEU 34 HD21 LEU 34 4.643 7.718 -5.564 307 HD22 LEU 34 HD22 LEU 34 3.325 6.664 -5.061 308 HD23 LEU 34 HD23 LEU 34 4.557 7.149 -3.899 309 H GLU 35 HN GLU 35 4.876 11.253 -0.790 310 HA GLU 35 HA GLU 35 7.078 12.835 -1.872 311 HB2 GLU 35 HB2 GLU 35 4.961 14.025 -1.740 312 HB3 GLU 35 HB1 GLU 35 4.806 13.605 -0.049 313 HG2 GLU 35 HG2 GLU 35 6.610 15.044 0.542 314 HG3 GLU 35 HG1 GLU 35 6.999 15.330 -1.159 315 H SER 36 HN SER 36 5.821 11.202 0.994 316 HA SER 36 HA SER 36 8.455 10.959 2.099 317 HB2 SER 36 HB2 SER 36 6.336 12.485 3.667 318 HB3 SER 36 HB1 SER 36 7.906 11.991 4.291 319 HG SER 36 HG SER 36 8.242 13.301 1.999 320 HA PRO 37 HA PRO 37 5.632 7.408 2.931 321 HB2 PRO 37 HB2 PRO 37 7.131 5.479 1.917 322 HB3 PRO 37 HB1 PRO 37 6.290 6.629 0.867 323 HG2 PRO 37 HG2 PRO 37 9.164 6.573 1.691 324 HG3 PRO 37 HG1 PRO 37 8.468 6.908 0.094 325 HD2 PRO 37 HD2 PRO 37 9.317 8.840 1.885 326 HD3 PRO 37 HD1 PRO 37 8.145 9.106 0.590 327 H ARG 38 HN ARG 38 8.660 8.135 4.323 328 HA ARG 38 HA ARG 38 8.624 5.609 5.678 329 HB2 ARG 38 HB2 ARG 38 10.817 7.605 5.417 330 HB3 ARG 38 HB1 ARG 38 10.867 6.406 6.705 331 HG2 ARG 38 HG2 ARG 38 10.671 4.621 5.056 332 HG3 ARG 38 HG1 ARG 38 10.625 5.818 3.766 333 HD2 ARG 38 HD2 ARG 38 12.856 6.490 4.203 334 HD3 ARG 38 HD1 ARG 38 12.898 5.586 5.715 335 HE ARG 38 HE ARG 38 12.617 3.559 4.264 336 HH11 ARG 38 HH11 ARG 38 14.183 6.447 2.966 337 HH12 ARG 38 HH12 ARG 38 15.276 5.594 1.984 338 HH21 ARG 38 HH21 ARG 38 14.051 2.387 2.930 339 HH22 ARG 38 HH22 ARG 38 15.130 3.200 1.877 340 H ILE 39 HN ILE 39 6.902 5.810 6.937 341 HA ILE 39 HA ILE 39 7.318 7.424 9.357 342 HB ILE 39 HB ILE 39 4.661 6.238 8.436 343 HG12 ILE 39 HG12 ILE 39 3.970 8.746 8.217 344 HG13 ILE 39 HG11 ILE 39 5.696 9.043 8.074 345 HG21 ILE 39 HG21 ILE 39 4.827 6.467 10.817 346 HG22 ILE 39 HG22 ILE 39 3.648 7.612 10.184 347 HG23 ILE 39 HG23 ILE 39 5.255 8.173 10.660 348 HD11 ILE 39 HD11 ILE 39 5.775 7.612 6.100 349 HD12 ILE 39 HD12 ILE 39 4.623 8.931 5.899 350 HD13 ILE 39 HD13 ILE 39 4.045 7.302 6.252 351 H GLU 40 HN GLU 40 8.278 6.035 10.792 352 HA GLU 40 HA GLU 40 8.017 3.211 10.368 353 HB2 GLU 40 HB2 GLU 40 9.570 2.881 12.150 354 HB3 GLU 40 HB1 GLU 40 10.146 4.188 11.126 355 HG2 GLU 40 HG2 GLU 40 9.598 5.801 12.742 356 HG3 GLU 40 HG1 GLU 40 8.641 4.642 13.672 357 H ALA 41 HN ALA 41 6.093 5.316 11.873 358 HA ALA 41 HA ALA 41 5.196 3.677 14.042 359 HB1 ALA 41 HB1 ALA 41 3.309 5.224 14.197 360 HB2 ALA 41 HB2 ALA 41 3.748 5.936 12.648 361 HB3 ALA 41 HB3 ALA 41 4.824 6.115 14.034 362 H ASN 42 HN ASN 42 4.903 3.468 10.691 363 HA ASN 42 HA ASN 42 2.559 1.699 10.938 364 HB2 ASN 42 HB2 ASN 42 3.422 3.262 8.494 365 HB3 ASN 42 HB1 ASN 42 2.084 2.128 8.553 366 HD21 ASN 42 HD21 ASN 42 3.164 5.282 9.194 367 HD22 ASN 42 HD22 ASN 42 1.652 5.923 9.726 368 H LYS 43 HN LYS 43 5.706 1.432 10.926 369 HA LYS 43 HA LYS 43 6.270 -0.101 8.602 370 HB2 LYS 43 HB2 LYS 43 8.390 -0.726 9.639 371 HB3 LYS 43 HB1 LYS 43 8.072 0.987 9.851 372 HG2 LYS 43 HG2 LYS 43 7.410 0.604 12.149 373 HG3 LYS 43 HG1 LYS 43 7.679 -1.132 11.944 374 HD2 LYS 43 HD2 LYS 43 10.023 -0.755 11.516 375 HD3 LYS 43 HD1 LYS 43 9.798 0.988 11.578 376 HE2 LYS 43 HE2 LYS 43 9.312 -0.919 13.867 377 HE3 LYS 43 HE1 LYS 43 10.765 0.051 13.647 378 HZ1 LYS 43 HZ1 LYS 43 9.063 0.921 15.214 379 HZ2 LYS 43 HZ2 LYS 43 8.054 1.267 13.922 380 HZ3 LYS 43 HZ3 LYS 43 9.584 2.013 14.066 381 H LEU 44 HN LEU 44 6.881 -2.349 8.535 382 HA LEU 44 HA LEU 44 4.797 -3.849 9.852 383 HB2 LEU 44 HB2 LEU 44 5.235 -3.766 7.322 384 HB3 LEU 44 HB1 LEU 44 6.592 -4.821 7.652 385 HG LEU 44 HG LEU 44 5.046 -6.513 8.560 386 HD11 LEU 44 HD11 LEU 44 3.268 -5.028 9.332 387 HD12 LEU 44 HD12 LEU 44 2.652 -6.239 8.214 388 HD13 LEU 44 HD13 LEU 44 2.910 -4.587 7.659 389 HD21 LEU 44 HD21 LEU 44 5.652 -6.663 6.220 390 HD22 LEU 44 HD22 LEU 44 4.387 -5.517 5.790 391 HD23 LEU 44 HD23 LEU 44 3.959 -7.103 6.422 392 H ARG 45 HN ARG 45 5.116 -5.585 11.011 393 HA ARG 45 HA ARG 45 7.033 -5.799 12.933 394 HB2 ARG 45 HB2 ARG 45 4.826 -6.766 12.961 395 HB3 ARG 45 HB1 ARG 45 5.321 -7.963 11.782 396 HG2 ARG 45 HG2 ARG 45 6.695 -9.050 13.424 397 HG3 ARG 45 HG1 ARG 45 6.372 -7.770 14.606 398 HD2 ARG 45 HD2 ARG 45 3.965 -8.259 14.462 399 HD3 ARG 45 HD1 ARG 45 4.290 -9.545 13.314 400 HE ARG 45 HE ARG 45 5.698 -10.022 15.692 401 HH11 ARG 45 HH11 ARG 45 2.383 -9.913 14.494 402 HH12 ARG 45 HH12 ARG 45 1.754 -11.127 15.507 403 HH21 ARG 45 HH21 ARG 45 4.868 -11.680 17.175 404 HH22 ARG 45 HH22 ARG 45 3.242 -12.138 17.111 405 H GLY 46 HN GLY 46 7.095 -7.566 9.842 406 HA2 GLY 46 HA2 GLY 46 9.817 -8.435 10.589 407 HA3 GLY 46 HA1 GLY 46 8.695 -9.521 9.790 408 H MET 47 HN MET 47 8.347 -6.428 8.565 409 HA MET 47 HA MET 47 10.331 -6.989 6.476 410 HB2 MET 47 HB2 MET 47 7.500 -6.084 6.008 411 HB3 MET 47 HB1 MET 47 8.750 -6.057 4.784 412 HG2 MET 47 HG2 MET 47 7.775 -8.528 6.193 413 HG3 MET 47 HG1 MET 47 7.280 -8.006 4.585 414 HE1 MET 47 HE1 MET 47 7.941 -10.361 3.593 415 HE2 MET 47 HE2 MET 47 8.428 -10.899 5.202 416 HE3 MET 47 HE3 MET 47 9.516 -11.119 3.829 417 HA PRO 48 HA PRO 48 11.442 -2.755 7.594 418 HB2 PRO 48 HB2 PRO 48 13.597 -3.292 5.645 419 HB3 PRO 48 HB1 PRO 48 13.722 -2.798 7.334 420 HG2 PRO 48 HG2 PRO 48 14.373 -5.277 6.557 421 HG3 PRO 48 HG1 PRO 48 13.596 -4.964 8.121 422 HD2 PRO 48 HD2 PRO 48 12.394 -5.992 5.578 423 HD3 PRO 48 HD1 PRO 48 12.112 -6.502 7.259 424 H ASP 49 HN ASP 49 10.898 -0.936 6.579 425 HA ASP 49 HA ASP 49 10.107 0.515 5.146 426 HB2 ASP 49 HB2 ASP 49 11.940 -0.903 3.242 427 HB3 ASP 49 HB1 ASP 49 10.876 0.371 2.656 428 H CYS 50 HN CYS 50 8.837 -2.207 5.400 429 HA CYS 50 HA CYS 50 6.861 -1.726 3.320 430 HB2 CYS 50 HB2 CYS 50 7.699 -4.094 3.687 431 HB3 CYS 50 HB1 CYS 50 7.015 -4.009 5.306 432 HG CYS 50 HG CYS 50 4.843 -3.216 2.934 433 H TYR 51 HN TYR 51 5.028 -0.737 3.906 434 HA TYR 51 HA TYR 51 4.596 -0.336 6.773 435 HB2 TYR 51 HB2 TYR 51 4.369 1.813 4.637 436 HB3 TYR 51 HB1 TYR 51 3.992 2.012 6.345 437 HD1 TYR 51 HD1 TYR 51 5.799 2.060 8.000 438 HD2 TYR 51 HD2 TYR 51 6.648 1.819 3.856 439 HE1 TYR 51 HE1 TYR 51 8.146 2.632 8.445 440 HE2 TYR 51 HE2 TYR 51 8.995 2.402 4.307 441 HH TYR 51 HH TYR 51 10.466 3.061 5.840 442 H LYS 52 HN LYS 52 2.517 -0.424 7.372 443 HA LYS 52 HA LYS 52 0.552 -0.590 5.230 444 HB2 LYS 52 HB2 LYS 52 -0.723 -2.221 6.362 445 HB3 LYS 52 HB1 LYS 52 0.924 -2.784 6.513 446 HG2 LYS 52 HG2 LYS 52 -0.585 -1.323 8.678 447 HG3 LYS 52 HG1 LYS 52 -0.518 -3.069 8.536 448 HD2 LYS 52 HD2 LYS 52 1.894 -3.011 8.911 449 HD3 LYS 52 HD1 LYS 52 1.853 -1.241 8.966 450 HE2 LYS 52 HE2 LYS 52 0.373 -1.307 10.875 451 HE3 LYS 52 HE1 LYS 52 0.306 -3.053 10.765 452 HZ1 LYS 52 HZ1 LYS 52 2.825 -1.543 11.342 453 HZ2 LYS 52 HZ2 LYS 52 2.585 -3.218 11.482 454 HZ3 LYS 52 HZ3 LYS 52 1.799 -2.159 12.506 455 H ILE 53 HN ILE 53 -1.001 0.885 5.328 456 HA ILE 53 HA ILE 53 -1.269 2.289 7.888 457 HB ILE 53 HB ILE 53 -1.676 3.678 5.216 458 HG12 ILE 53 HG12 ILE 53 0.853 3.751 6.904 459 HG13 ILE 53 HG11 ILE 53 0.707 2.891 5.379 460 HG21 ILE 53 HG21 ILE 53 -1.147 4.656 8.033 461 HG22 ILE 53 HG22 ILE 53 -2.702 4.690 7.201 462 HG23 ILE 53 HG23 ILE 53 -1.369 5.691 6.626 463 HD11 ILE 53 HD11 ILE 53 0.460 5.873 5.759 464 HD12 ILE 53 HD12 ILE 53 0.310 5.019 4.224 465 HD13 ILE 53 HD13 ILE 53 1.849 5.018 5.087 466 H LYS 54 HN LYS 54 -3.325 2.410 8.600 467 HA LYS 54 HA LYS 54 -5.352 1.278 6.833 468 HB2 LYS 54 HB2 LYS 54 -5.402 1.661 9.840 469 HB3 LYS 54 HB1 LYS 54 -6.770 1.091 8.904 470 HG2 LYS 54 HG2 LYS 54 -5.913 -0.919 9.645 471 HG3 LYS 54 HG1 LYS 54 -5.062 -0.747 8.118 472 HD2 LYS 54 HD2 LYS 54 -3.488 -1.467 9.709 473 HD3 LYS 54 HD1 LYS 54 -3.161 0.239 9.401 474 HE2 LYS 54 HE2 LYS 54 -4.138 0.895 11.459 475 HE3 LYS 54 HE1 LYS 54 -4.874 -0.688 11.696 476 HZ1 LYS 54 HZ1 LYS 54 -2.693 -1.640 11.974 477 HZ2 LYS 54 HZ2 LYS 54 -2.916 -0.397 13.093 478 HZ3 LYS 54 HZ3 LYS 54 -1.943 -0.142 11.758 479 H LEU 55 HN LEU 55 -7.541 2.197 7.047 480 HA LEU 55 HA LEU 55 -7.445 5.117 7.040 481 HB2 LEU 55 HB2 LEU 55 -9.502 3.169 5.976 482 HB3 LEU 55 HB1 LEU 55 -9.709 4.905 5.991 483 HG LEU 55 HG LEU 55 -7.574 3.437 4.446 484 HD11 LEU 55 HD11 LEU 55 -10.196 4.639 3.550 485 HD12 LEU 55 HD12 LEU 55 -9.825 2.916 3.625 486 HD13 LEU 55 HD13 LEU 55 -8.959 3.959 2.496 487 HD21 LEU 55 HD21 LEU 55 -6.956 5.715 5.020 488 HD22 LEU 55 HD22 LEU 55 -8.510 6.299 4.428 489 HD23 LEU 55 HD23 LEU 55 -7.347 5.597 3.303 490 H ARG 56 HN ARG 56 -7.814 5.843 8.999 491 HA ARG 56 HA ARG 56 -9.052 4.547 11.127 492 HB2 ARG 56 HB2 ARG 56 -9.161 6.741 12.220 493 HB3 ARG 56 HB1 ARG 56 -7.604 6.483 11.444 494 HG2 ARG 56 HG2 ARG 56 -8.271 7.882 9.575 495 HG3 ARG 56 HG1 ARG 56 -9.870 8.082 10.282 496 HD2 ARG 56 HD2 ARG 56 -8.881 9.215 12.196 497 HD3 ARG 56 HD1 ARG 56 -7.276 8.999 11.491 498 HE ARG 56 HE ARG 56 -8.560 10.215 9.520 499 HH11 ARG 56 HH11 ARG 56 -8.414 11.060 12.935 500 HH12 ARG 56 HH12 ARG 56 -8.555 12.739 12.671 501 HH21 ARG 56 HH21 ARG 56 -8.718 12.446 9.142 502 HH22 ARG 56 HH22 ARG 56 -8.709 13.564 10.427 503 H SER 57 HN SER 57 -10.503 6.406 8.576 504 HA SER 57 HA SER 57 -13.087 6.333 9.947 505 HB2 SER 57 HB2 SER 57 -12.240 7.946 7.538 506 HB3 SER 57 HB1 SER 57 -13.709 8.158 8.492 507 HG SER 57 HG SER 57 -11.511 9.412 8.871 508 H SER 58 HN SER 58 -11.823 4.003 8.471 509 HA SER 58 HA SER 58 -14.141 3.429 6.870 510 HB2 SER 58 HB2 SER 58 -12.673 4.528 5.228 511 HB3 SER 58 HB1 SER 58 -11.395 3.375 5.600 512 HG SER 58 HG SER 58 -13.778 3.049 4.214 513 H GLY 59 HN GLY 59 -10.879 2.151 7.734 514 HA2 GLY 59 HA2 GLY 59 -10.790 0.199 9.152 515 HA3 GLY 59 HA1 GLY 59 -12.234 -0.396 8.340 516 H TYR 60 HN TYR 60 -11.029 0.584 5.761 517 HA TYR 60 HA TYR 60 -9.629 -1.852 5.121 518 HB2 TYR 60 HB2 TYR 60 -10.283 0.584 3.463 519 HB3 TYR 60 HB1 TYR 60 -9.478 -0.844 2.832 520 HD1 TYR 60 HD2 TYR 60 -12.676 0.428 4.191 521 HD2 TYR 60 HD1 TYR 60 -10.696 -2.825 2.305 522 HE1 TYR 60 HE2 TYR 60 -14.851 -0.607 3.707 523 HE2 TYR 60 HE1 TYR 60 -12.860 -3.869 1.821 524 HH TYR 60 HH TYR 60 -15.849 -2.220 2.290 525 H ARG 61 HN ARG 61 -7.496 -1.788 4.013 526 HA ARG 61 HA ARG 61 -5.852 0.414 5.017 527 HB2 ARG 61 HB2 ARG 61 -4.234 -1.063 5.953 528 HB3 ARG 61 HB1 ARG 61 -5.809 -1.595 6.543 529 HG2 ARG 61 HG2 ARG 61 -5.849 -3.382 4.893 530 HG3 ARG 61 HG1 ARG 61 -4.284 -2.853 4.280 531 HD2 ARG 61 HD2 ARG 61 -3.991 -4.725 5.700 532 HD3 ARG 61 HD1 ARG 61 -3.318 -3.296 6.496 533 HE ARG 61 HE ARG 61 -6.019 -4.267 7.157 534 HH11 ARG 61 HH11 ARG 61 -2.755 -3.440 8.248 535 HH12 ARG 61 HH12 ARG 61 -3.126 -3.671 9.901 536 HH21 ARG 61 HH21 ARG 61 -6.470 -4.676 9.313 537 HH22 ARG 61 HH22 ARG 61 -5.322 -4.462 10.537 538 H LEU 62 HN LEU 62 -3.626 0.223 4.052 539 HA LEU 62 HA LEU 62 -3.538 -1.242 1.568 540 HB2 LEU 62 HB2 LEU 62 -4.228 1.042 0.990 541 HB3 LEU 62 HB1 LEU 62 -2.882 1.699 1.888 542 HG LEU 62 HG LEU 62 -2.386 -0.083 -0.489 543 HD11 LEU 62 HD11 LEU 62 -3.973 1.624 -1.225 544 HD12 LEU 62 HD12 LEU 62 -2.368 1.899 -1.899 545 HD13 LEU 62 HD13 LEU 62 -2.939 2.882 -0.541 546 HD21 LEU 62 HD21 LEU 62 -0.883 2.248 0.722 547 HD22 LEU 62 HD22 LEU 62 -0.365 1.293 -0.668 548 HD23 LEU 62 HD23 LEU 62 -0.485 0.539 0.921 549 H VAL 63 HN VAL 63 -1.611 -2.131 1.217 550 HA VAL 63 HA VAL 63 0.461 -1.713 3.269 551 HB VAL 63 HB VAL 63 -0.214 -4.319 1.897 552 HG11 VAL 63 HG11 VAL 63 1.515 -3.735 4.290 553 HG12 VAL 63 HG12 VAL 63 2.043 -4.255 2.684 554 HG13 VAL 63 HG13 VAL 63 1.097 -5.344 3.700 555 HG21 VAL 63 HG21 VAL 63 -1.138 -3.347 4.596 556 HG22 VAL 63 HG22 VAL 63 -1.233 -5.015 4.071 557 HG23 VAL 63 HG23 VAL 63 -2.135 -3.769 3.201 558 H TYR 64 HN TYR 64 2.370 -1.158 2.357 559 HA TYR 64 HA TYR 64 2.920 -1.986 -0.393 560 HB2 TYR 64 HB2 TYR 64 3.569 0.255 -1.060 561 HB3 TYR 64 HB1 TYR 64 1.918 0.302 -0.454 562 HD1 TYR 64 HD1 TYR 64 1.470 1.296 1.804 563 HD2 TYR 64 HD2 TYR 64 5.309 1.512 -0.024 564 HE1 TYR 64 HE1 TYR 64 2.115 3.086 3.356 565 HE2 TYR 64 HE2 TYR 64 5.952 3.289 1.534 566 HH TYR 64 HH TYR 64 4.167 4.069 4.287 567 H GLN 65 HN GLN 65 5.256 -1.286 -0.911 568 HA GLN 65 HA GLN 65 6.959 -1.212 1.447 569 HB2 GLN 65 HB2 GLN 65 6.719 -3.587 0.395 570 HB3 GLN 65 HB1 GLN 65 7.570 -2.932 -0.988 571 HG2 GLN 65 HG2 GLN 65 8.724 -2.926 1.803 572 HG3 GLN 65 HG1 GLN 65 8.937 -4.264 0.689 573 HE21 GLN 65 HE21 GLN 65 9.285 -2.595 -1.650 574 HE22 GLN 65 HE22 GLN 65 10.831 -1.851 -1.484 575 H VAL 66 HN VAL 66 8.257 0.491 1.248 576 HA VAL 66 HA VAL 66 8.134 1.920 -1.240 577 HB VAL 66 HB VAL 66 7.815 3.301 0.708 578 HG11 VAL 66 HG11 VAL 66 10.553 2.483 1.651 579 HG12 VAL 66 HG12 VAL 66 9.020 1.964 2.339 580 HG13 VAL 66 HG13 VAL 66 9.486 3.668 2.416 581 HG21 VAL 66 HG21 VAL 66 10.496 3.842 -0.547 582 HG22 VAL 66 HG22 VAL 66 9.571 4.991 0.410 583 HG23 VAL 66 HG23 VAL 66 8.922 4.404 -1.127 584 H ILE 67 HN ILE 67 9.562 1.724 -2.761 585 HA ILE 67 HA ILE 67 12.170 0.517 -2.213 586 HB ILE 67 HB ILE 67 10.864 1.125 -4.888 587 HG12 ILE 67 HG12 ILE 67 10.838 -1.494 -3.357 588 HG13 ILE 67 HG11 ILE 67 9.453 -0.433 -3.579 589 HG21 ILE 67 HG21 ILE 67 12.461 -0.530 -5.756 590 HG22 ILE 67 HG22 ILE 67 13.101 -0.756 -4.129 591 HG23 ILE 67 HG23 ILE 67 13.285 0.800 -4.937 592 HD11 ILE 67 HD11 ILE 67 9.363 -2.344 -5.074 593 HD12 ILE 67 HD12 ILE 67 10.931 -1.901 -5.753 594 HD13 ILE 67 HD13 ILE 67 9.540 -0.845 -5.989 595 H ASP 68 HN ASP 68 13.620 2.157 -1.694 596 HA ASP 68 HA ASP 68 13.118 4.767 -2.853 597 HB2 ASP 68 HB2 ASP 68 14.767 5.702 -1.341 598 HB3 ASP 68 HB1 ASP 68 13.676 4.660 -0.442 599 H GLU 69 HN GLU 69 15.080 2.137 -3.539 600 HA GLU 69 HA GLU 69 17.135 3.601 -4.886 601 HB2 GLU 69 HB2 GLU 69 17.843 1.402 -5.765 602 HB3 GLU 69 HB1 GLU 69 17.601 1.375 -4.027 603 HG2 GLU 69 HG2 GLU 69 15.284 0.436 -4.548 604 HG3 GLU 69 HG1 GLU 69 15.888 0.201 -6.178 605 H LYS 70 HN LYS 70 14.193 1.987 -5.935 606 HA LYS 70 HA LYS 70 14.544 2.933 -8.688 607 HB2 LYS 70 HB2 LYS 70 12.479 1.169 -7.393 608 HB3 LYS 70 HB1 LYS 70 12.325 1.724 -9.047 609 HG2 LYS 70 HG2 LYS 70 14.647 0.159 -7.986 610 HG3 LYS 70 HG1 LYS 70 13.251 -0.578 -8.788 611 HD2 LYS 70 HD2 LYS 70 15.196 1.416 -10.006 612 HD3 LYS 70 HD1 LYS 70 15.143 -0.311 -10.332 613 HE2 LYS 70 HE2 LYS 70 12.868 -0.059 -11.261 614 HE3 LYS 70 HE1 LYS 70 12.952 1.674 -10.967 615 HZ1 LYS 70 HZ1 LYS 70 14.730 0.145 -12.788 616 HZ2 LYS 70 HZ2 LYS 70 14.834 1.793 -12.497 617 HZ3 LYS 70 HZ3 LYS 70 13.486 1.168 -13.269 618 H VAL 71 HN VAL 71 13.334 3.975 -5.856 619 HA VAL 71 HA VAL 71 12.057 5.650 -5.111 620 HB VAL 71 HB VAL 71 12.191 6.859 -7.872 621 HG11 VAL 71 HG11 VAL 71 12.211 8.132 -5.150 622 HG12 VAL 71 HG12 VAL 71 10.795 7.878 -6.148 623 HG13 VAL 71 HG13 VAL 71 12.075 8.967 -6.714 624 HG21 VAL 71 HG21 VAL 71 14.318 7.863 -7.253 625 HG22 VAL 71 HG22 VAL 71 14.397 6.088 -7.282 626 HG23 VAL 71 HG23 VAL 71 14.299 6.945 -5.736 627 H VAL 72 HN VAL 72 10.379 3.916 -5.155 628 HA VAL 72 HA VAL 72 8.048 4.924 -6.432 629 HB VAL 72 HB VAL 72 9.017 3.642 -8.282 630 HG11 VAL 72 HG11 VAL 72 10.361 2.043 -7.087 631 HG12 VAL 72 HG12 VAL 72 9.262 1.210 -8.188 632 HG13 VAL 72 HG13 VAL 72 8.910 1.257 -6.460 633 HG21 VAL 72 HG21 VAL 72 6.610 3.729 -8.109 634 HG22 VAL 72 HG22 VAL 72 6.611 2.298 -7.081 635 HG23 VAL 72 HG23 VAL 72 7.117 2.174 -8.766 636 H VAL 73 HN VAL 73 6.258 4.347 -5.381 637 HA VAL 73 HA VAL 73 6.522 2.701 -3.021 638 HB VAL 73 HB VAL 73 4.287 4.494 -4.029 639 HG11 VAL 73 HG11 VAL 73 3.381 2.648 -2.698 640 HG12 VAL 73 HG12 VAL 73 3.241 4.184 -1.842 641 HG13 VAL 73 HG13 VAL 73 4.504 3.037 -1.397 642 HG21 VAL 73 HG21 VAL 73 4.936 5.942 -2.174 643 HG22 VAL 73 HG22 VAL 73 6.244 5.690 -3.334 644 HG23 VAL 73 HG23 VAL 73 6.261 4.835 -1.787 645 H PHE 74 HN PHE 74 6.371 0.631 -3.553 646 HA PHE 74 HA PHE 74 4.504 -0.166 -5.617 647 HB2 PHE 74 HB2 PHE 74 6.746 -1.037 -5.884 648 HB3 PHE 74 HB1 PHE 74 6.750 -1.645 -4.235 649 HD1 PHE 74 HD1 PHE 74 4.161 -1.960 -6.908 650 HD2 PHE 74 HD2 PHE 74 6.996 -3.927 -4.421 651 HE1 PHE 74 HE1 PHE 74 3.360 -4.128 -7.715 652 HE2 PHE 74 HE2 PHE 74 6.193 -6.101 -5.227 653 HZ PHE 74 HZ PHE 74 4.366 -6.200 -6.876 654 H VAL 75 HN VAL 75 2.558 -0.424 -4.904 655 HA VAL 75 HA VAL 75 2.018 -1.280 -2.232 656 HB VAL 75 HB VAL 75 0.086 -0.791 -4.503 657 HG11 VAL 75 HG11 VAL 75 -0.363 -0.993 -1.530 658 HG12 VAL 75 HG12 VAL 75 -0.875 -2.166 -2.743 659 HG13 VAL 75 HG13 VAL 75 -1.585 -0.552 -2.718 660 HG21 VAL 75 HG21 VAL 75 1.009 1.063 -2.303 661 HG22 VAL 75 HG22 VAL 75 -0.292 1.404 -3.444 662 HG23 VAL 75 HG23 VAL 75 1.364 1.221 -4.022 663 H ILE 76 HN ILE 76 1.581 -3.180 -1.593 664 HA ILE 76 HA ILE 76 1.913 -5.452 -3.366 665 HB ILE 76 HB ILE 76 1.639 -5.349 -0.360 666 HG12 ILE 76 HG12 ILE 76 3.548 -3.980 -1.112 667 HG13 ILE 76 HG11 ILE 76 4.077 -5.394 -0.219 668 HG21 ILE 76 HG21 ILE 76 1.226 -7.546 -1.294 669 HG22 ILE 76 HG22 ILE 76 2.745 -7.513 -0.401 670 HG23 ILE 76 HG23 ILE 76 2.762 -7.484 -2.166 671 HD11 ILE 76 HD11 ILE 76 4.639 -6.484 -2.352 672 HD12 ILE 76 HD12 ILE 76 5.510 -4.967 -2.122 673 HD13 ILE 76 HD13 ILE 76 4.129 -5.030 -3.211 674 H SER 77 HN SER 77 -0.388 -4.302 -0.842 675 HA SER 77 HA SER 77 -2.496 -5.807 -2.154 676 HB2 SER 77 HB2 SER 77 -1.633 -7.330 -0.426 677 HB3 SER 77 HB1 SER 77 -1.793 -6.061 0.789 678 HG SER 77 HG SER 77 -3.697 -7.746 -0.283 679 H VAL 78 HN VAL 78 -4.573 -5.013 -1.654 680 HA VAL 78 HA VAL 78 -4.748 -2.491 -0.190 681 HB VAL 78 HB VAL 78 -6.002 -2.995 -2.922 682 HG11 VAL 78 HG11 VAL 78 -6.032 -0.577 -1.143 683 HG12 VAL 78 HG12 VAL 78 -7.396 -1.631 -1.511 684 HG13 VAL 78 HG13 VAL 78 -6.683 -0.629 -2.778 685 HG21 VAL 78 HG21 VAL 78 -3.786 -1.076 -2.205 686 HG22 VAL 78 HG22 VAL 78 -4.548 -1.242 -3.792 687 HG23 VAL 78 HG23 VAL 78 -3.591 -2.565 -3.123 688 H GLY 79 HN GLY 79 -6.379 -2.785 1.268 689 HA2 GLY 79 HA2 GLY 79 -8.903 -3.312 1.021 690 HA3 GLY 79 HA1 GLY 79 -8.256 -4.931 0.752 691 H LYS 80 HN LYS 80 -9.533 -5.367 2.707 692 HA LYS 80 HA LYS 80 -7.974 -4.522 5.001 693 HB2 LYS 80 HB2 LYS 80 -9.980 -5.217 6.383 694 HB3 LYS 80 HB1 LYS 80 -10.139 -3.751 5.438 695 HG2 LYS 80 HG2 LYS 80 -11.381 -4.972 3.754 696 HG3 LYS 80 HG1 LYS 80 -11.223 -6.456 4.702 697 HD2 LYS 80 HD2 LYS 80 -12.603 -3.921 5.610 698 HD3 LYS 80 HD1 LYS 80 -13.422 -5.359 5.007 699 HE2 LYS 80 HE2 LYS 80 -12.451 -6.657 6.877 700 HE3 LYS 80 HE1 LYS 80 -11.697 -5.178 7.475 701 HZ1 LYS 80 HZ1 LYS 80 -13.763 -5.690 8.622 702 HZ2 LYS 80 HZ2 LYS 80 -14.627 -5.584 7.191 703 HZ3 LYS 80 HZ3 LYS 80 -13.864 -4.224 7.822 704 H ALA 81 HN ALA 81 -6.450 -5.862 5.151 705 HA ALA 81 HA ALA 81 -6.958 -8.719 5.389 706 HB1 ALA 81 HB1 ALA 81 -4.988 -8.030 4.095 707 HB2 ALA 81 HB2 ALA 81 -4.492 -8.865 5.569 708 HB3 ALA 81 HB3 ALA 81 -4.411 -7.104 5.480 709 H GLU 82 HN GLU 82 -5.804 -9.722 7.469 710 HA GLU 82 HA GLU 82 -5.897 -7.892 9.700 711 HB2 GLU 82 HB2 GLU 82 -7.758 -8.955 10.807 712 HB3 GLU 82 HB1 GLU 82 -8.287 -8.322 9.249 713 HG2 GLU 82 HG2 GLU 82 -8.506 -10.429 8.313 714 HG3 GLU 82 HG1 GLU 82 -7.380 -11.159 9.447 715 H ALA 83 HN ALA 83 -6.054 -9.289 11.675 716 HA ALA 83 HA ALA 83 -5.710 -12.009 11.696 717 HB1 ALA 83 HB1 ALA 83 -3.296 -10.424 12.598 718 HB2 ALA 83 HB2 ALA 83 -3.346 -11.544 11.224 719 HB3 ALA 83 HB3 ALA 83 -3.569 -12.150 12.872 720 H SER 84 HN SER 84 -7.657 -11.047 12.589 721 HA SER 84 HA SER 84 -7.214 -10.508 15.443 722 HB2 SER 84 HB2 SER 84 -8.038 -8.528 14.033 723 HB3 SER 84 HB1 SER 84 -9.512 -9.450 13.769 724 HG SER 84 HG SER 84 -10.111 -9.135 15.797 725 H GLU 85 HN GLU 85 -9.397 -11.713 12.929 726 HA GLU 85 HA GLU 85 -10.672 -13.451 14.894 727 HB2 GLU 85 HB2 GLU 85 -11.426 -12.920 12.006 728 HB3 GLU 85 HB1 GLU 85 -12.363 -13.857 13.163 729 HG2 GLU 85 HG2 GLU 85 -12.586 -11.817 14.554 730 HG3 GLU 85 HG1 GLU 85 -11.771 -10.909 13.288 731 H VAL 86 HN VAL 86 -8.301 -13.375 12.567 732 HA VAL 86 HA VAL 86 -8.227 -15.937 11.495 733 HB VAL 86 HB VAL 86 -5.856 -14.215 12.311 734 HG11 VAL 86 HG11 VAL 86 -4.560 -15.495 10.671 735 HG12 VAL 86 HG12 VAL 86 -5.951 -16.539 10.378 736 HG13 VAL 86 HG13 VAL 86 -5.164 -16.538 11.960 737 HG21 VAL 86 HG21 VAL 86 -7.265 -14.494 9.660 738 HG22 VAL 86 HG22 VAL 86 -5.835 -13.511 9.967 739 HG23 VAL 86 HG23 VAL 86 -7.368 -13.107 10.743 740 H TYR 87 HN TYR 87 -6.692 -14.769 14.493 741 HA TYR 87 HA TYR 87 -6.046 -17.478 15.236 742 HB2 TYR 87 HB2 TYR 87 -4.962 -16.490 17.237 743 HB3 TYR 87 HB1 TYR 87 -4.369 -15.793 15.739 744 HD1 TYR 87 HD1 TYR 87 -6.281 -15.177 18.813 745 HD2 TYR 87 HD2 TYR 87 -4.789 -13.459 15.228 746 HE1 TYR 87 HE1 TYR 87 -6.727 -12.927 19.708 747 HE2 TYR 87 HE2 TYR 87 -5.230 -11.221 16.114 748 HH TYR 87 HH TYR 87 -5.957 -10.630 19.352 749 H SER 88 HN SER 88 -8.861 -15.910 15.327 750 HA SER 88 HA SER 88 -9.631 -16.447 18.036 751 HB2 SER 88 HB2 SER 88 -10.646 -14.580 16.743 752 HB3 SER 88 HB1 SER 88 -11.378 -15.752 15.652 753 HG SER 88 HG SER 88 -12.946 -15.795 16.997 754 H GLU 89 HN GLU 89 -10.038 -18.042 14.889 755 HA GLU 89 HA GLU 89 -11.510 -20.149 16.128 756 HB2 GLU 89 HB2 GLU 89 -11.354 -21.352 13.974 757 HB3 GLU 89 HB1 GLU 89 -11.953 -19.718 13.777 758 HG2 GLU 89 HG2 GLU 89 -9.710 -19.035 13.015 759 HG3 GLU 89 HG1 GLU 89 -9.190 -20.718 13.140 760 H ALA 90 HN ALA 90 -8.267 -19.356 15.687 761 HA ALA 90 HA ALA 90 -6.318 -20.158 16.530 762 HB1 ALA 90 HB1 ALA 90 -6.435 -21.266 18.679 763 HB2 ALA 90 HB2 ALA 90 -8.138 -21.641 18.420 764 HB3 ALA 90 HB3 ALA 90 -7.622 -19.962 18.600 765 H VAL 91 HN VAL 91 -7.526 -21.715 14.374 766 HA VAL 91 HA VAL 91 -7.023 -24.456 14.955 767 HB VAL 91 HB VAL 91 -7.273 -24.850 12.524 768 HG11 VAL 91 HG11 VAL 91 -9.384 -23.084 13.738 769 HG12 VAL 91 HG12 VAL 91 -9.240 -24.834 13.922 770 HG13 VAL 91 HG13 VAL 91 -9.613 -24.139 12.343 771 HG21 VAL 91 HG21 VAL 91 -6.275 -22.811 11.665 772 HG22 VAL 91 HG22 VAL 91 -7.579 -21.851 12.355 773 HG23 VAL 91 HG23 VAL 91 -7.916 -22.981 11.044 774 H LYS 92 HN LYS 92 -5.355 -25.747 14.170 775 HA LYS 92 HA LYS 92 -2.844 -24.319 14.065 776 HB2 LYS 92 HB2 LYS 92 -1.823 -26.607 14.258 777 HB3 LYS 92 HB1 LYS 92 -2.846 -26.142 15.605 778 HG2 LYS 92 HG2 LYS 92 -4.648 -27.518 14.728 779 HG3 LYS 92 HG1 LYS 92 -3.657 -27.968 13.343 780 HD2 LYS 92 HD2 LYS 92 -2.052 -29.038 14.848 781 HD3 LYS 92 HD1 LYS 92 -3.013 -28.529 16.239 782 HE2 LYS 92 HE2 LYS 92 -3.470 -30.859 15.732 783 HE3 LYS 92 HE1 LYS 92 -4.889 -29.866 15.404 784 HZ1 LYS 92 HZ1 LYS 92 -2.971 -30.845 13.363 785 HZ2 LYS 92 HZ2 LYS 92 -4.349 -29.951 13.039 786 HZ3 LYS 92 HZ3 LYS 92 -4.480 -31.510 13.669 787 H ARG 93 HN ARG 93 -5.030 -25.694 11.937 788 HA ARG 93 HA ARG 93 -3.022 -25.913 9.804 789 HB2 ARG 93 HB2 ARG 93 -5.196 -27.538 10.503 790 HB3 ARG 93 HB1 ARG 93 -5.712 -26.691 9.059 791 HG2 ARG 93 HG2 ARG 93 -3.227 -28.379 9.318 792 HG3 ARG 93 HG1 ARG 93 -4.737 -28.885 8.584 793 HD2 ARG 93 HD2 ARG 93 -4.441 -27.025 6.915 794 HD3 ARG 93 HD1 ARG 93 -2.828 -26.760 7.587 795 HE ARG 93 HE ARG 93 -3.337 -29.475 6.909 796 HH11 ARG 93 HH11 ARG 93 -2.035 -26.403 5.516 797 HH12 ARG 93 HH12 ARG 93 -1.368 -27.206 4.194 798 HH21 ARG 93 HH21 ARG 93 -2.351 -30.485 5.022 799 HH22 ARG 93 HH22 ARG 93 -1.519 -29.505 3.905 800 H ILE 94 HN ILE 94 -3.070 -23.493 10.019 801 HA ILE 94 HA ILE 94 -5.352 -22.200 8.748 802 HB ILE 94 HB ILE 94 -2.717 -21.004 9.694 803 HG12 ILE 94 HG12 ILE 94 -5.463 -20.903 10.964 804 HG13 ILE 94 HG11 ILE 94 -4.114 -21.880 11.532 805 HG21 ILE 94 HG21 ILE 94 -3.829 -18.813 9.445 806 HG22 ILE 94 HG22 ILE 94 -5.249 -19.618 8.775 807 HG23 ILE 94 HG23 ILE 94 -3.717 -19.668 7.905 808 HD11 ILE 94 HD11 ILE 94 -4.202 -18.868 11.448 809 HD12 ILE 94 HD12 ILE 94 -2.866 -19.850 12.057 810 HD13 ILE 94 HD13 ILE 94 -4.424 -19.874 12.880 811 H LEU 95 HN LEU 95 -1.967 -22.881 8.198 812 HA LEU 95 HA LEU 95 -2.155 -21.916 5.461 813 HB2 LEU 95 HB2 LEU 95 0.242 -22.898 7.014 814 HB3 LEU 95 HB1 LEU 95 0.273 -22.133 5.440 815 HG LEU 95 HG LEU 95 -0.470 -20.830 8.057 816 HD11 LEU 95 HD11 LEU 95 1.894 -20.438 6.236 817 HD12 LEU 95 HD12 LEU 95 1.909 -21.203 7.825 818 HD13 LEU 95 HD13 LEU 95 1.534 -19.487 7.675 819 HD21 LEU 95 HD21 LEU 95 -1.828 -19.896 6.269 820 HD22 LEU 95 HD22 LEU 95 -0.392 -19.665 5.274 821 HD23 LEU 95 HD23 LEU 95 -0.593 -18.734 6.760 822 H LYS 47 H LYS 47 12.616 -0.376 20.546 823 HA LYS 47 HA LYS 47 12.452 -1.418 22.655 824 HB2 LYS 47 HB2 LYS 47 13.431 0.414 23.991 825 HB3 LYS 47 HB1 LYS 47 11.987 1.377 23.711 826 HG2 LYS 47 HG2 LYS 47 10.664 -0.265 24.938 827 HG3 LYS 47 HG1 LYS 47 12.118 -1.228 25.206 828 HD2 LYS 47 HD2 LYS 47 13.137 0.640 26.392 829 HD3 LYS 47 HD1 LYS 47 11.680 1.600 26.141 830 HE2 LYS 47 HE2 LYS 47 11.661 0.684 28.369 831 HE3 LYS 47 HE1 LYS 47 10.401 -0.075 27.395 832 HZ1 LYS 47 HZ1 LYS 47 13.041 -1.293 28.019 833 HZ2 LYS 47 HZ2 LYS 47 11.787 -2.023 27.145 834 HZ3 LYS 47 HZ3 LYS 47 11.582 -1.667 28.768 835 H GLN 48 HN GLN 48 10.535 1.329 21.478 836 HA GLN 48 HA GLN 48 8.183 -0.197 22.179 837 HB2 GLN 48 HB2 GLN 48 6.863 1.793 21.623 838 HB3 GLN 48 HB1 GLN 48 8.114 2.141 22.796 839 HG2 GLN 48 HG2 GLN 48 9.481 3.128 21.001 840 HG3 GLN 48 HG1 GLN 48 8.172 2.808 19.869 841 HE21 GLN 48 HE21 GLN 48 7.746 3.874 23.170 842 HE22 GLN 48 HE22 GLN 48 7.140 5.431 22.785 843 H THR 49 HN THR 49 7.881 -1.788 20.837 844 HA THR 49 HA THR 49 8.096 -1.400 18.021 845 HB THR 49 HB THR 49 7.298 -3.880 18.181 846 HG1 THR 49 HG1 THR 49 7.228 -4.709 20.155 847 HG21 THR 49 HG21 THR 49 9.584 -3.187 17.591 848 HG22 THR 49 HG22 THR 49 9.613 -4.597 18.653 849 HG23 THR 49 HG23 THR 49 9.965 -2.994 19.301 850 H LEU 50 HN LEU 50 6.403 -0.180 17.261 851 HA LEU 50 HA LEU 50 3.761 -0.634 18.233 852 HB2 LEU 50 HB2 LEU 50 4.809 1.100 16.034 853 HB3 LEU 50 HB1 LEU 50 3.143 1.040 16.567 854 HG LEU 50 HG LEU 50 5.522 2.026 18.135 855 HD11 LEU 50 HD11 LEU 50 4.267 4.100 18.136 856 HD12 LEU 50 HD12 LEU 50 3.017 3.269 17.189 857 HD13 LEU 50 HD13 LEU 50 4.623 3.525 16.488 858 HD21 LEU 50 HD21 LEU 50 2.664 1.661 19.056 859 HD22 LEU 50 HD22 LEU 50 3.915 2.537 19.934 860 HD23 LEU 50 HD23 LEU 50 4.080 0.804 19.679 861 H LEU 51 HN LEU 51 3.374 -2.724 17.705 862 HA LEU 51 HA LEU 51 2.899 -3.267 14.892 863 HB2 LEU 51 HB2 LEU 51 3.840 -5.566 15.218 864 HB3 LEU 51 HB1 LEU 51 5.017 -4.273 15.232 865 HG LEU 51 HG LEU 51 4.912 -4.435 17.790 866 HD11 LEU 51 HD11 LEU 51 3.713 -7.119 17.143 867 HD12 LEU 51 HD12 LEU 51 2.931 -5.807 18.023 868 HD13 LEU 51 HD13 LEU 51 4.337 -6.616 18.714 869 HD21 LEU 51 HD21 LEU 51 6.582 -6.153 17.825 870 HD22 LEU 51 HD22 LEU 51 6.797 -5.137 16.394 871 HD23 LEU 51 HD23 LEU 51 6.057 -6.737 16.253 872 H SER 52 HN SER 52 1.519 -5.267 14.625 873 HA SER 52 HA SER 52 -0.086 -5.875 16.923 874 HB2 SER 52 HB2 SER 52 -1.179 -3.991 15.898 875 HB3 SER 52 HB1 SER 52 -0.957 -4.631 14.290 876 HG SER 52 HG SER 52 -2.968 -5.072 14.720 877 H ASP 53 HN ASP 53 -1.720 -7.719 15.758 878 HA ASP 53 HA ASP 53 0.280 -9.605 14.686 879 HB2 ASP 53 HB2 ASP 53 -1.503 -10.147 16.553 880 HB3 ASP 53 HB1 ASP 53 -2.562 -10.406 15.167 881 H GLU 54 HN GLU 54 -2.170 -7.647 13.613 882 HA GLU 54 HA GLU 54 -2.833 -8.688 11.128 883 HB2 GLU 54 HB2 GLU 54 -3.175 -6.300 10.463 884 HB3 GLU 54 HB1 GLU 54 -3.795 -6.641 12.078 885 HG2 GLU 54 HG2 GLU 54 -1.716 -5.771 13.014 886 HG3 GLU 54 HG1 GLU 54 -1.240 -5.230 11.411 887 H ASP 55 HN ASP 55 0.059 -7.133 12.257 888 HA ASP 55 HA ASP 55 1.547 -6.743 9.909 889 HB2 ASP 55 HB2 ASP 55 2.392 -7.388 12.716 890 HB3 ASP 55 HB1 ASP 55 3.505 -7.088 11.391 891 H ALA 56 HN ALA 56 1.144 -9.551 11.932 892 HA ALA 56 HA ALA 56 3.226 -11.082 10.688 893 HB1 ALA 56 HB1 ALA 56 2.279 -13.009 11.824 894 HB2 ALA 56 HB2 ALA 56 0.788 -12.127 12.142 895 HB3 ALA 56 HB3 ALA 56 2.288 -11.631 12.925 896 H GLU 57 HN GLU 57 -0.274 -10.885 10.041 897 HA GLU 57 HA GLU 57 -0.040 -12.813 7.990 898 HB2 GLU 57 HB2 GLU 57 -2.234 -12.557 8.935 899 HB3 GLU 57 HB1 GLU 57 -2.286 -10.858 8.511 900 HG2 GLU 57 HG2 GLU 57 -2.406 -11.310 6.171 901 HG3 GLU 57 HG1 GLU 57 -1.968 -12.986 6.395 902 H LEU 58 HN LEU 58 0.047 -9.318 8.024 903 HA LEU 58 HA LEU 58 0.108 -9.008 5.232 904 HB2 LEU 58 HB2 LEU 58 1.197 -7.276 7.410 905 HB3 LEU 58 HB1 LEU 58 1.168 -6.791 5.720 906 HG LEU 58 HG LEU 58 -1.194 -7.362 7.487 907 HD11 LEU 58 HD11 LEU 58 -1.740 -5.045 7.136 908 HD12 LEU 58 HD12 LEU 58 -0.194 -4.828 6.300 909 HD13 LEU 58 HD13 LEU 58 -0.227 -5.290 7.999 910 HD21 LEU 58 HD21 LEU 58 -1.869 -8.148 5.424 911 HD22 LEU 58 HD22 LEU 58 -0.976 -6.940 4.554 912 HD23 LEU 58 HD23 LEU 58 -2.452 -6.478 5.437 913 H VAL 59 HN VAL 59 2.550 -9.778 7.502 914 HA VAL 59 HA VAL 59 4.799 -9.433 5.856 915 HB VAL 59 HB VAL 59 4.282 -10.950 8.419 916 HG11 VAL 59 HG11 VAL 59 6.923 -10.955 7.006 917 HG12 VAL 59 HG12 VAL 59 5.824 -12.348 7.204 918 HG13 VAL 59 HG13 VAL 59 6.513 -11.554 8.629 919 HG21 VAL 59 HG21 VAL 59 4.581 -8.581 8.565 920 HG22 VAL 59 HG22 VAL 59 6.120 -8.696 7.711 921 HG23 VAL 59 HG23 VAL 59 5.940 -9.421 9.309 922 H GLU 60 HN GLU 60 2.630 -12.206 6.397 923 HA GLU 60 HA GLU 60 4.222 -13.826 4.673 924 HB2 GLU 60 HB2 GLU 60 2.469 -15.539 4.863 925 HB3 GLU 60 HB1 GLU 60 3.029 -14.976 6.428 926 HG2 GLU 60 HG2 GLU 60 1.057 -13.578 6.615 927 HG3 GLU 60 HG1 GLU 60 0.485 -14.157 5.054 928 H ILE 61 HN ILE 61 1.425 -11.819 4.262 929 HA ILE 61 HA ILE 61 0.732 -12.700 1.658 930 HB ILE 61 HB ILE 61 0.272 -9.977 2.930 931 HG12 ILE 61 HG12 ILE 61 -1.609 -12.330 2.617 932 HG13 ILE 61 HG11 ILE 61 -0.796 -11.878 4.111 933 HG21 ILE 61 HG21 ILE 61 -0.996 -11.169 0.461 934 HG22 ILE 61 HG22 ILE 61 0.131 -9.817 0.494 935 HG23 ILE 61 HG23 ILE 61 -1.470 -9.650 1.218 936 HD11 ILE 61 HD11 ILE 61 -3.116 -11.125 4.074 937 HD12 ILE 61 HD12 ILE 61 -2.789 -10.183 2.618 938 HD13 ILE 61 HD13 ILE 61 -1.996 -9.764 4.136 939 H VAL 62 HN VAL 62 2.878 -10.131 2.812 940 HA VAL 62 HA VAL 62 3.459 -9.261 0.182 941 HB VAL 62 HB VAL 62 3.669 -7.669 2.060 942 HG11 VAL 62 HG11 VAL 62 4.548 -9.148 3.759 943 HG12 VAL 62 HG12 VAL 62 5.536 -7.701 3.577 944 HG13 VAL 62 HG13 VAL 62 6.088 -9.238 2.901 945 HG21 VAL 62 HG21 VAL 62 5.738 -6.584 1.409 946 HG22 VAL 62 HG22 VAL 62 4.922 -7.253 -0.015 947 HG23 VAL 62 HG23 VAL 62 6.306 -8.085 0.684 948 H LYS 63 HN LYS 63 5.136 -11.420 2.410 949 HA LYS 63 HA LYS 63 7.443 -11.764 0.823 950 HB2 LYS 63 HB2 LYS 63 7.987 -13.594 2.241 951 HB3 LYS 63 HB1 LYS 63 7.105 -12.460 3.256 952 HG2 LYS 63 HG2 LYS 63 5.070 -13.820 2.875 953 HG3 LYS 63 HG1 LYS 63 6.079 -15.019 2.087 954 HD2 LYS 63 HD2 LYS 63 6.339 -14.055 4.949 955 HD3 LYS 63 HD1 LYS 63 5.741 -15.628 4.427 956 HE2 LYS 63 HE2 LYS 63 7.972 -16.066 3.428 957 HE3 LYS 63 HE1 LYS 63 8.515 -14.534 4.078 958 HZ1 LYS 63 HZ1 LYS 63 8.087 -15.280 6.312 959 HZ2 LYS 63 HZ2 LYS 63 9.089 -16.411 5.544 960 HZ3 LYS 63 HZ3 LYS 63 7.460 -16.733 5.760 961 H GLU 64 HN GLU 64 4.259 -13.089 0.613 962 HA GLU 64 HA GLU 64 4.846 -15.170 -1.250 963 HB2 GLU 64 HB2 GLU 64 2.876 -15.199 0.217 964 HB3 GLU 64 HB1 GLU 64 2.272 -13.762 -0.589 965 HG2 GLU 64 HG2 GLU 64 1.103 -15.432 -1.597 966 HG3 GLU 64 HG1 GLU 64 2.411 -15.080 -2.697 967 H ARG 65 HN ARG 65 3.440 -11.895 -1.471 968 HA ARG 65 HA ARG 65 3.237 -12.121 -4.312 969 HB2 ARG 65 HB2 ARG 65 2.762 -9.735 -2.520 970 HB3 ARG 65 HB1 ARG 65 2.524 -9.712 -4.260 971 HG2 ARG 65 HG2 ARG 65 0.854 -11.551 -3.982 972 HG3 ARG 65 HG1 ARG 65 1.032 -11.373 -2.239 973 HD2 ARG 65 HD2 ARG 65 0.290 -9.042 -2.404 974 HD3 ARG 65 HD1 ARG 65 0.115 -9.222 -4.148 975 HE ARG 65 HE ARG 65 -1.355 -11.140 -2.597 976 HH11 ARG 65 HH11 ARG 65 -1.545 -7.941 -4.157 977 HH12 ARG 65 HH12 ARG 65 -3.261 -7.977 -4.216 978 HH21 ARG 65 HH21 ARG 65 -3.712 -11.085 -2.689 979 HH22 ARG 65 HH22 ARG 65 -4.459 -9.728 -3.433 980 H LEU 66 HN LEU 66 5.715 -11.444 -2.303 981 HA LEU 66 HA LEU 66 7.053 -9.666 -4.186 982 HB2 LEU 66 HB2 LEU 66 8.054 -10.851 -1.616 983 HB3 LEU 66 HB1 LEU 66 9.125 -10.007 -2.716 984 HG LEU 66 HG LEU 66 6.734 -8.833 -1.299 985 HD11 LEU 66 HD11 LEU 66 8.411 -7.503 -0.110 986 HD12 LEU 66 HD12 LEU 66 9.693 -8.378 -0.948 987 HD13 LEU 66 HD13 LEU 66 8.630 -9.230 0.173 988 HD21 LEU 66 HD21 LEU 66 8.715 -7.545 -3.186 989 HD22 LEU 66 HD22 LEU 66 7.530 -6.681 -2.216 990 HD23 LEU 66 HD23 LEU 66 6.989 -7.777 -3.480 991 H ARG 67 HN ARG 67 6.793 -12.996 -3.828 992 HA ARG 67 HA ARG 67 9.279 -13.539 -5.192 993 HB2 ARG 67 HB2 ARG 67 8.635 -15.875 -5.163 994 HB3 ARG 67 HB1 ARG 67 8.274 -15.177 -3.596 995 HG2 ARG 67 HG2 ARG 67 5.904 -14.876 -4.440 996 HG3 ARG 67 HG1 ARG 67 6.366 -15.918 -5.779 997 HD2 ARG 67 HD2 ARG 67 6.572 -16.653 -2.872 998 HD3 ARG 67 HD1 ARG 67 5.227 -17.079 -3.914 999 HE ARG 67 HE ARG 67 7.781 -17.935 -4.881 1000 HH11 ARG 67 HH11 ARG 67 4.949 -18.731 -2.889 1001 HH12 ARG 67 HH12 ARG 67 5.278 -20.411 -2.872 1002 HH21 ARG 67 HH21 ARG 67 8.189 -20.290 -4.889 1003 HH22 ARG 67 HH22 ARG 67 7.123 -21.297 -4.025 1004 H ASN 68 HN ASN 68 5.958 -13.035 -6.027 1005 HA ASN 68 HA ASN 68 6.640 -12.909 -8.841 1006 HB2 ASN 68 HB2 ASN 68 4.519 -14.765 -7.731 1007 HB3 ASN 68 HB1 ASN 68 4.501 -14.233 -9.398 1008 HD21 ASN 68 HD21 ASN 68 6.041 -15.083 -10.824 1009 HD22 ASN 68 HD22 ASN 68 7.022 -16.438 -10.422 1010 HA PRO 69 HA PRO 69 3.660 -9.712 -7.536 1011 HB2 PRO 69 HB2 PRO 69 5.329 -7.566 -8.109 1012 HB3 PRO 69 HB1 PRO 69 5.100 -8.312 -6.532 1013 HG2 PRO 69 HG2 PRO 69 7.455 -8.347 -8.125 1014 HG3 PRO 69 HG1 PRO 69 7.176 -9.200 -6.596 1015 HD2 PRO 69 HD2 PRO 69 7.023 -10.209 -9.391 1016 HD3 PRO 69 HD1 PRO 69 7.395 -11.088 -7.891 1017 H LYS 70 HN LYS 70 5.821 -8.489 -10.119 1018 HA LYS 70 HA LYS 70 5.456 -7.538 -12.068 1019 HB2 LYS 70 HB2 LYS 70 3.055 -9.333 -12.080 1020 HB3 LYS 70 HB1 LYS 70 3.156 -8.070 -13.291 1021 HG2 LYS 70 HG2 LYS 70 3.964 -10.160 -14.190 1022 HG3 LYS 70 HG1 LYS 70 5.289 -9.012 -14.070 1023 HD2 LYS 70 HD2 LYS 70 5.995 -10.119 -11.968 1024 HD3 LYS 70 HD1 LYS 70 4.687 -11.276 -12.184 1025 HE2 LYS 70 HE2 LYS 70 5.628 -12.043 -14.282 1026 HE3 LYS 70 HE1 LYS 70 6.902 -10.831 -14.188 1027 HZ1 LYS 70 HZ1 LYS 70 7.712 -12.985 -13.486 1028 HZ2 LYS 70 HZ2 LYS 70 6.518 -13.115 -12.333 1029 HZ3 LYS 70 HZ3 LYS 70 7.710 -11.926 -12.182 1030 HA PRO 71 HA PRO 71 3.129 -4.141 -10.327 1031 HB2 PRO 71 HB2 PRO 71 5.069 -2.316 -10.494 1032 HB3 PRO 71 HB1 PRO 71 5.046 -3.522 -9.204 1033 HG2 PRO 71 HG2 PRO 71 6.708 -3.422 -11.676 1034 HG3 PRO 71 HG1 PRO 71 7.139 -3.989 -10.056 1035 HD2 PRO 71 HD2 PRO 71 6.415 -5.621 -12.199 1036 HD3 PRO 71 HD1 PRO 71 6.412 -6.087 -10.490 1037 H VAL 72 HN VAL 72 2.063 -2.589 -11.366 1038 HA VAL 72 HA VAL 72 2.772 -1.986 -14.148 1039 HB VAL 72 HB VAL 72 0.083 -1.668 -12.756 1040 HG11 VAL 72 HG11 VAL 72 -0.813 -1.244 -15.000 1041 HG12 VAL 72 HG12 VAL 72 0.814 -1.343 -15.666 1042 HG13 VAL 72 HG13 VAL 72 0.398 -0.045 -14.545 1043 HG21 VAL 72 HG21 VAL 72 0.616 -4.026 -13.060 1044 HG22 VAL 72 HG22 VAL 72 0.959 -3.745 -14.766 1045 HG23 VAL 72 HG23 VAL 72 -0.681 -3.545 -14.153 1046 H ARG 73 HN ARG 73 3.663 -0.026 -14.387 1047 HA ARG 73 HA ARG 73 3.872 1.870 -12.312 1048 HB2 ARG 73 HB2 ARG 73 5.547 1.848 -14.077 1049 HB3 ARG 73 HB1 ARG 73 4.328 2.205 -15.295 1050 HG2 ARG 73 HG2 ARG 73 5.443 4.252 -14.897 1051 HG3 ARG 73 HG1 ARG 73 3.905 4.371 -14.052 1052 HD2 ARG 73 HD2 ARG 73 5.374 5.190 -12.475 1053 HD3 ARG 73 HD1 ARG 73 5.267 3.496 -12.007 1054 HE ARG 73 HE ARG 73 7.445 4.619 -13.630 1055 HH11 ARG 73 HH11 ARG 73 6.385 2.225 -11.215 1056 HH12 ARG 73 HH12 ARG 73 7.918 1.852 -10.700 1057 HH21 ARG 73 HH21 ARG 73 9.589 4.083 -12.938 1058 HH22 ARG 73 HH22 ARG 73 9.842 2.927 -11.727 1059 H VAL 74 HN VAL 74 2.373 3.164 -11.581 1060 HA VAL 74 HA VAL 74 0.476 4.322 -13.451 1061 HB VAL 74 HB VAL 74 -1.362 4.076 -11.768 1062 HG11 VAL 74 HG11 VAL 74 -1.314 2.563 -13.655 1063 HG12 VAL 74 HG12 VAL 74 -1.870 1.713 -12.213 1064 HG13 VAL 74 HG13 VAL 74 -0.220 1.481 -12.794 1065 HG21 VAL 74 HG21 VAL 74 -0.050 3.724 -9.784 1066 HG22 VAL 74 HG22 VAL 74 0.572 2.199 -10.428 1067 HG23 VAL 74 HG23 VAL 74 -1.144 2.360 -10.033 1068 H THR 75 HN THR 75 -0.833 5.978 -12.201 1069 HA THR 75 HA THR 75 0.726 7.435 -10.239 1070 HB THR 75 HB THR 75 -0.068 9.547 -11.377 1071 HG1 THR 75 HG1 THR 75 -0.562 7.873 -13.616 1072 HG21 THR 75 HG21 THR 75 1.729 7.803 -13.077 1073 HG22 THR 75 HG22 THR 75 2.250 8.805 -11.726 1074 HG23 THR 75 HG23 THR 75 1.610 9.556 -13.188 1075 H LEU 76 HN LEU 76 -0.797 8.863 -9.034 1076 HA LEU 76 HA LEU 76 -3.233 7.526 -8.393 1077 HB2 LEU 76 HB2 LEU 76 -2.261 10.284 -7.724 1078 HB3 LEU 76 HB1 LEU 76 -3.647 9.502 -6.963 1079 HG LEU 76 HG LEU 76 -0.888 8.403 -6.943 1080 HD11 LEU 76 HD11 LEU 76 -0.739 9.281 -4.637 1081 HD12 LEU 76 HD12 LEU 76 -2.307 10.063 -4.847 1082 HD13 LEU 76 HD13 LEU 76 -0.920 10.585 -5.809 1083 HD21 LEU 76 HD21 LEU 76 -1.720 7.110 -5.023 1084 HD22 LEU 76 HD22 LEU 76 -2.556 6.762 -6.520 1085 HD23 LEU 76 HD23 LEU 76 -3.333 7.781 -5.297 1086 H ASP 77 HN ASP 77 -2.348 9.895 -10.617 1087 HA ASP 77 HA ASP 77 -4.786 11.236 -11.067 1088 HB2 ASP 77 HB2 ASP 77 -2.648 12.174 -11.732 1089 HB3 ASP 77 HB1 ASP 77 -2.371 10.831 -12.833 1090 H GLU 78 HN GLU 78 -3.503 8.205 -12.174 1091 HA GLU 78 HA GLU 78 -5.670 8.018 -14.134 1092 HB2 GLU 78 HB2 GLU 78 -4.368 6.286 -15.208 1093 HB3 GLU 78 HB1 GLU 78 -3.444 7.773 -15.051 1094 HG2 GLU 78 HG2 GLU 78 -2.337 6.870 -13.104 1095 HG3 GLU 78 HG1 GLU 78 -3.192 5.348 -13.298 1096 H LEU 79 HN LEU 79 -5.219 7.186 -11.038 1097 HA LEU 79 HA LEU 79 -6.266 4.500 -11.276 1098 HB2 LEU 79 HB2 LEU 79 -5.980 6.232 -8.823 1099 HB3 LEU 79 HB1 LEU 79 -6.411 4.536 -8.823 1100 HG LEU 79 HG LEU 79 -3.760 5.734 -9.591 1101 HD11 LEU 79 HD11 LEU 79 -4.197 5.640 -7.212 1102 HD12 LEU 79 HD12 LEU 79 -2.937 4.499 -7.680 1103 HD13 LEU 79 HD13 LEU 79 -4.568 3.919 -7.336 1104 HD21 LEU 79 HD21 LEU 79 -4.642 2.849 -9.659 1105 HD22 LEU 79 HD22 LEU 79 -2.990 3.423 -9.877 1106 HD23 LEU 79 HD23 LEU 79 -4.227 3.845 -11.057 Start of MODEL 15 1 H MET 1 H MET 1 5.348 15.239 -6.173 2 HA MET 1 HA MET 1 5.127 12.531 -5.044 3 HB2 MET 1 HB2 MET 1 3.418 12.962 -6.787 4 HB3 MET 1 HB1 MET 1 4.674 13.539 -7.865 5 HG2 MET 1 HG2 MET 1 5.644 11.324 -7.971 6 HG3 MET 1 HG1 MET 1 4.475 10.734 -6.792 7 HE1 MET 1 HE1 MET 1 5.018 9.378 -9.666 8 HE2 MET 1 HE2 MET 1 3.367 8.990 -10.144 9 HE3 MET 1 HE3 MET 1 3.882 8.734 -8.483 10 H ALA 2 HN ALA 2 7.095 12.023 -4.532 11 HA ALA 2 HA ALA 2 9.301 12.826 -6.290 12 HB1 ALA 2 HB1 ALA 2 9.535 13.335 -3.894 13 HB2 ALA 2 HB2 ALA 2 10.725 12.142 -4.420 14 HB3 ALA 2 HB3 ALA 2 9.303 11.628 -3.514 15 H TYR 3 HN TYR 3 7.630 10.167 -4.820 16 HA TYR 3 HA TYR 3 9.298 8.169 -6.106 17 HB2 TYR 3 HB2 TYR 3 7.042 8.039 -4.130 18 HB3 TYR 3 HB1 TYR 3 7.790 6.608 -4.807 19 HD1 TYR 3 HD2 TYR 3 8.476 9.662 -2.798 20 HD2 TYR 3 HD1 TYR 3 9.756 5.734 -3.793 21 HE1 TYR 3 HE2 TYR 3 10.145 9.764 -1.007 22 HE2 TYR 3 HE1 TYR 3 11.428 5.820 -1.994 23 HH TYR 3 HH TYR 3 12.659 7.534 -0.677 24 H PHE 4 HN PHE 4 8.613 6.881 -7.688 25 HA PHE 4 HA PHE 4 6.303 7.604 -9.202 26 HB2 PHE 4 HB2 PHE 4 7.957 5.064 -9.369 27 HB3 PHE 4 HB1 PHE 4 6.827 5.644 -10.580 28 HD1 PHE 4 HD1 PHE 4 7.347 7.949 -11.617 29 HD2 PHE 4 HD2 PHE 4 10.195 5.595 -9.522 30 HE1 PHE 4 HE1 PHE 4 9.164 9.160 -12.738 31 HE2 PHE 4 HE2 PHE 4 12.024 6.799 -10.627 32 HZ PHE 4 HZ PHE 4 11.515 8.592 -12.243 33 H LEU 5 HN LEU 5 4.551 5.839 -9.699 34 HA LEU 5 HA LEU 5 3.919 4.597 -7.155 35 HB2 LEU 5 HB2 LEU 5 2.410 6.421 -7.779 36 HB3 LEU 5 HB1 LEU 5 2.141 5.669 -9.329 37 HG LEU 5 HG LEU 5 0.993 3.824 -8.279 38 HD11 LEU 5 HD11 LEU 5 2.171 3.806 -6.105 39 HD12 LEU 5 HD12 LEU 5 0.423 3.894 -5.890 40 HD13 LEU 5 HD13 LEU 5 1.408 5.343 -5.687 41 HD21 LEU 5 HD21 LEU 5 0.046 6.551 -7.487 42 HD22 LEU 5 HD22 LEU 5 -0.949 5.108 -7.457 43 HD23 LEU 5 HD23 LEU 5 -0.299 5.700 -8.993 44 H ASP 6 HN ASP 6 3.596 2.486 -7.146 45 HA ASP 6 HA ASP 6 3.178 1.096 -9.693 46 HB2 ASP 6 HB2 ASP 6 5.520 0.718 -7.918 47 HB3 ASP 6 HB1 ASP 6 4.735 -0.760 -8.442 48 H PHE 7 HN PHE 7 2.121 -0.894 -9.498 49 HA PHE 7 HA PHE 7 1.137 -1.633 -6.824 50 HB2 PHE 7 HB2 PHE 7 -0.567 -1.154 -9.248 51 HB3 PHE 7 HB1 PHE 7 -1.085 -2.167 -7.914 52 HD1 PHE 7 HD1 PHE 7 -1.667 -1.206 -5.790 53 HD2 PHE 7 HD2 PHE 7 -0.422 1.202 -9.041 54 HE1 PHE 7 HE1 PHE 7 -2.588 0.781 -4.662 55 HE2 PHE 7 HE2 PHE 7 -1.319 3.181 -7.938 56 HZ PHE 7 HZ PHE 7 -2.414 2.983 -5.741 57 H ASP 8 HN ASP 8 0.919 -3.723 -6.484 58 HA ASP 8 HA ASP 8 1.918 -5.691 -8.258 59 HB2 ASP 8 HB2 ASP 8 2.039 -6.364 -6.035 60 HB3 ASP 8 HB1 ASP 8 0.485 -5.656 -5.632 61 H GLU 9 HN GLU 9 0.811 -7.159 -9.583 62 HA GLU 9 HA GLU 9 -1.270 -6.335 -11.147 63 HB2 GLU 9 HB2 GLU 9 0.447 -8.423 -11.050 64 HB3 GLU 9 HB1 GLU 9 -1.087 -9.185 -10.628 65 HG2 GLU 9 HG2 GLU 9 -0.606 -7.569 -13.094 66 HG3 GLU 9 HG1 GLU 9 -0.481 -9.325 -13.033 67 H ARG 10 HN ARG 10 -1.420 -8.319 -8.200 68 HA ARG 10 HA ARG 10 -4.246 -8.781 -8.411 69 HB2 ARG 10 HB2 ARG 10 -2.326 -9.176 -6.113 70 HB3 ARG 10 HB1 ARG 10 -4.011 -9.642 -6.073 71 HG2 ARG 10 HG2 ARG 10 -1.974 -10.754 -7.990 72 HG3 ARG 10 HG1 ARG 10 -2.444 -11.514 -6.468 73 HD2 ARG 10 HD2 ARG 10 -4.177 -10.993 -8.878 74 HD3 ARG 10 HD1 ARG 10 -3.674 -12.557 -8.239 75 HE ARG 10 HE ARG 10 -5.574 -10.705 -6.978 76 HH11 ARG 10 HH11 ARG 10 -4.269 -13.986 -7.195 77 HH12 ARG 10 HH12 ARG 10 -5.512 -14.691 -6.288 78 HH21 ARG 10 HH21 ARG 10 -7.274 -11.649 -5.745 79 HH22 ARG 10 HH22 ARG 10 -7.298 -13.330 -5.461 80 H ALA 11 HN ALA 11 -2.132 -6.562 -6.694 81 HA ALA 11 HA ALA 11 -3.980 -5.274 -5.037 82 HB1 ALA 11 HB1 ALA 11 -1.580 -4.000 -6.353 83 HB2 ALA 11 HB2 ALA 11 -1.555 -4.929 -4.854 84 HB3 ALA 11 HB3 ALA 11 -2.430 -3.399 -4.929 85 H LEU 12 HN LEU 12 -3.323 -4.740 -8.447 86 HA LEU 12 HA LEU 12 -4.889 -2.424 -8.840 87 HB2 LEU 12 HB2 LEU 12 -4.261 -4.736 -10.661 88 HB3 LEU 12 HB1 LEU 12 -5.405 -3.507 -11.177 89 HG LEU 12 HG LEU 12 -3.430 -1.846 -10.796 90 HD11 LEU 12 HD11 LEU 12 -1.240 -2.739 -11.003 91 HD12 LEU 12 HD12 LEU 12 -1.885 -4.378 -10.909 92 HD13 LEU 12 HD13 LEU 12 -2.025 -3.294 -9.525 93 HD21 LEU 12 HD21 LEU 12 -4.300 -2.481 -12.996 94 HD22 LEU 12 HD22 LEU 12 -3.247 -3.898 -12.988 95 HD23 LEU 12 HD23 LEU 12 -2.549 -2.279 -12.999 96 H LYS 13 HN LYS 13 -5.820 -5.732 -8.549 97 HA LYS 13 HA LYS 13 -8.562 -5.284 -9.348 98 HB2 LYS 13 HB2 LYS 13 -7.485 -7.723 -7.938 99 HB3 LYS 13 HB1 LYS 13 -8.822 -7.633 -9.079 100 HG2 LYS 13 HG2 LYS 13 -5.878 -7.331 -9.741 101 HG3 LYS 13 HG1 LYS 13 -6.913 -8.702 -10.120 102 HD2 LYS 13 HD2 LYS 13 -8.090 -7.537 -11.748 103 HD3 LYS 13 HD1 LYS 13 -7.622 -5.966 -11.097 104 HE2 LYS 13 HE2 LYS 13 -6.450 -6.402 -13.172 105 HE3 LYS 13 HE1 LYS 13 -5.321 -6.341 -11.831 106 HZ1 LYS 13 HZ1 LYS 13 -5.386 -8.829 -11.840 107 HZ2 LYS 13 HZ2 LYS 13 -4.689 -8.106 -13.151 108 HZ3 LYS 13 HZ3 LYS 13 -6.252 -8.742 -13.304 109 H GLU 14 HN GLU 14 -6.666 -5.171 -6.531 110 HA GLU 14 HA GLU 14 -8.607 -5.722 -4.562 111 HB2 GLU 14 HB2 GLU 14 -6.064 -4.187 -4.424 112 HB3 GLU 14 HB1 GLU 14 -7.069 -4.569 -3.047 113 HG2 GLU 14 HG2 GLU 14 -5.557 -6.477 -4.851 114 HG3 GLU 14 HG1 GLU 14 -5.169 -6.103 -3.178 115 H TRP 15 HN TRP 15 -7.675 -2.749 -6.156 116 HA TRP 15 HA TRP 15 -9.423 -1.339 -4.292 117 HB2 TRP 15 HB2 TRP 15 -8.713 0.790 -5.157 118 HB3 TRP 15 HB1 TRP 15 -7.276 -0.204 -5.038 119 HD1 TRP 15 HD1 TRP 15 -9.747 1.054 -7.811 120 HE1 TRP 15 HE1 TRP 15 -8.399 1.388 -9.966 121 HE3 TRP 15 HE3 TRP 15 -5.201 -0.701 -6.256 122 HZ2 TRP 15 HZ2 TRP 15 -5.824 0.978 -10.899 123 HZ3 TRP 15 HZ3 TRP 15 -3.351 -0.676 -7.868 124 HH2 TRP 15 HH2 TRP 15 -3.657 0.143 -10.137 125 H ARG 16 HN ARG 16 -9.506 -2.623 -7.366 126 HA ARG 16 HA ARG 16 -11.680 -1.054 -8.348 127 HB2 ARG 16 HB2 ARG 16 -10.609 -3.686 -9.338 128 HB3 ARG 16 HB1 ARG 16 -11.830 -2.725 -10.169 129 HG2 ARG 16 HG2 ARG 16 -10.152 -0.832 -10.174 130 HG3 ARG 16 HG1 ARG 16 -9.010 -1.984 -9.561 131 HD2 ARG 16 HD2 ARG 16 -8.874 -1.650 -11.986 132 HD3 ARG 16 HD1 ARG 16 -9.063 -3.334 -11.493 133 HE ARG 16 HE ARG 16 -11.627 -2.445 -12.016 134 HH11 ARG 16 HH11 ARG 16 -8.661 -2.580 -13.950 135 HH12 ARG 16 HH12 ARG 16 -9.482 -2.792 -15.421 136 HH21 ARG 16 HH21 ARG 16 -12.729 -2.765 -14.077 137 HH22 ARG 16 HH22 ARG 16 -11.787 -2.932 -15.498 138 H LYS 17 HN LYS 17 -11.439 -4.011 -6.620 139 HA LYS 17 HA LYS 17 -14.095 -4.927 -6.897 140 HB2 LYS 17 HB2 LYS 17 -13.583 -6.230 -4.839 141 HB3 LYS 17 HB1 LYS 17 -12.377 -6.398 -6.116 142 HG2 LYS 17 HG2 LYS 17 -10.838 -5.111 -5.042 143 HG3 LYS 17 HG1 LYS 17 -11.976 -4.322 -3.994 144 HD2 LYS 17 HD2 LYS 17 -10.652 -5.786 -2.721 145 HD3 LYS 17 HD1 LYS 17 -12.249 -6.479 -2.818 146 HE2 LYS 17 HE2 LYS 17 -11.592 -8.059 -4.464 147 HE3 LYS 17 HE1 LYS 17 -10.037 -7.258 -4.705 148 HZ1 LYS 17 HZ1 LYS 17 -9.919 -9.326 -3.362 149 HZ2 LYS 17 HZ2 LYS 17 -10.823 -8.569 -2.151 150 HZ3 LYS 17 HZ3 LYS 17 -9.300 -7.962 -2.613 151 H LEU 18 HN LEU 18 -12.658 -2.539 -4.777 152 HA LEU 18 HA LEU 18 -14.814 -2.894 -2.937 153 HB2 LEU 18 HB2 LEU 18 -13.411 -1.585 -1.316 154 HB3 LEU 18 HB1 LEU 18 -12.765 -3.103 -1.926 155 HG LEU 18 HG LEU 18 -11.320 -1.798 -3.486 156 HD11 LEU 18 HD11 LEU 18 -12.156 0.552 -1.823 157 HD12 LEU 18 HD12 LEU 18 -12.488 0.310 -3.543 158 HD13 LEU 18 HD13 LEU 18 -10.827 0.520 -2.980 159 HD21 LEU 18 HD21 LEU 18 -9.688 -1.199 -1.807 160 HD22 LEU 18 HD22 LEU 18 -10.433 -2.758 -1.492 161 HD23 LEU 18 HD23 LEU 18 -10.916 -1.339 -0.539 162 H GLY 19 HN GLY 19 -15.390 -0.753 -1.652 163 HA2 GLY 19 HA2 GLY 19 -16.994 0.814 -3.300 164 HA3 GLY 19 HA1 GLY 19 -16.590 1.164 -1.631 165 H SER 20 HN SER 20 -16.876 2.810 -4.118 166 HA SER 20 HA SER 20 -14.405 3.749 -4.986 167 HB2 SER 20 HB2 SER 20 -16.447 4.042 -6.239 168 HB3 SER 20 HB1 SER 20 -17.100 5.120 -5.000 169 HG SER 20 HG SER 20 -15.156 5.563 -6.960 170 H THR 21 HN THR 21 -16.488 4.842 -2.317 171 HA THR 21 HA THR 21 -15.207 7.198 -1.599 172 HB THR 21 HB THR 21 -16.510 5.159 0.216 173 HG1 THR 21 HG1 THR 21 -17.568 7.154 -1.495 174 HG21 THR 21 HG21 THR 21 -17.143 7.112 1.571 175 HG22 THR 21 HG22 THR 21 -16.308 8.175 0.444 176 HG23 THR 21 HG23 THR 21 -15.389 7.020 1.408 177 H VAL 22 HN VAL 22 -14.442 3.859 -0.897 178 HA VAL 22 HA VAL 22 -12.500 4.347 1.113 179 HB VAL 22 HB VAL 22 -12.963 1.889 -0.610 180 HG11 VAL 22 HG11 VAL 22 -11.694 0.657 1.084 181 HG12 VAL 22 HG12 VAL 22 -11.352 2.170 1.922 182 HG13 VAL 22 HG13 VAL 22 -10.702 1.894 0.308 183 HG21 VAL 22 HG21 VAL 22 -13.868 2.525 2.193 184 HG22 VAL 22 HG22 VAL 22 -14.110 0.987 1.365 185 HG23 VAL 22 HG23 VAL 22 -14.891 2.449 0.761 186 H ARG 23 HN ARG 23 -12.352 3.648 -2.364 187 HA ARG 23 HA ARG 23 -9.527 3.738 -2.338 188 HB2 ARG 23 HB2 ARG 23 -9.599 3.574 -4.796 189 HB3 ARG 23 HB1 ARG 23 -10.562 2.350 -3.968 190 HG2 ARG 23 HG2 ARG 23 -12.552 3.633 -4.470 191 HG3 ARG 23 HG1 ARG 23 -11.574 4.765 -5.420 192 HD2 ARG 23 HD2 ARG 23 -10.826 2.951 -6.850 193 HD3 ARG 23 HD1 ARG 23 -11.720 1.786 -5.879 194 HE ARG 23 HE ARG 23 -13.071 3.949 -7.314 195 HH11 ARG 23 HH11 ARG 23 -12.667 0.462 -6.663 196 HH12 ARG 23 HH12 ARG 23 -13.972 0.005 -7.649 197 HH21 ARG 23 HH21 ARG 23 -14.866 3.253 -8.704 198 HH22 ARG 23 HH22 ARG 23 -15.203 1.587 -8.827 199 H GLU 24 HN GLU 24 -11.855 6.245 -2.722 200 HA GLU 24 HA GLU 24 -10.038 8.123 -3.800 201 HB2 GLU 24 HB2 GLU 24 -12.452 8.551 -2.043 202 HB3 GLU 24 HB1 GLU 24 -11.518 9.861 -2.747 203 HG2 GLU 24 HG2 GLU 24 -12.024 8.939 -4.986 204 HG3 GLU 24 HG1 GLU 24 -13.070 7.754 -4.212 205 H GLN 25 HN GLN 25 -10.820 7.156 -0.522 206 HA GLN 25 HA GLN 25 -9.122 8.972 0.822 207 HB2 GLN 25 HB2 GLN 25 -9.990 6.203 1.658 208 HB3 GLN 25 HB1 GLN 25 -9.255 7.394 2.722 209 HG2 GLN 25 HG2 GLN 25 -11.213 8.872 2.346 210 HG3 GLN 25 HG1 GLN 25 -11.870 7.590 1.314 211 HE21 GLN 25 HE21 GLN 25 -12.816 5.890 2.172 212 HE22 GLN 25 HE22 GLN 25 -13.082 5.645 3.871 213 H LEU 26 HN LEU 26 -8.660 5.803 -0.540 214 HA LEU 26 HA LEU 26 -6.041 5.350 0.346 215 HB2 LEU 26 HB2 LEU 26 -7.374 4.381 -2.170 216 HB3 LEU 26 HB1 LEU 26 -5.853 3.778 -1.549 217 HG LEU 26 HG LEU 26 -8.523 3.525 -0.162 218 HD11 LEU 26 HD11 LEU 26 -8.332 2.141 -2.175 219 HD12 LEU 26 HD12 LEU 26 -8.307 1.172 -0.698 220 HD13 LEU 26 HD13 LEU 26 -6.808 1.506 -1.558 221 HD21 LEU 26 HD21 LEU 26 -5.810 2.407 0.539 222 HD22 LEU 26 HD22 LEU 26 -7.321 2.022 1.356 223 HD23 LEU 26 HD23 LEU 26 -6.675 3.659 1.433 224 H LYS 27 HN LYS 27 -7.242 6.967 -2.571 225 HA LYS 27 HA LYS 27 -4.655 7.420 -3.619 226 HB2 LYS 27 HB2 LYS 27 -7.238 8.875 -4.199 227 HB3 LYS 27 HB1 LYS 27 -5.725 9.168 -5.046 228 HG2 LYS 27 HG2 LYS 27 -5.720 6.805 -5.790 229 HG3 LYS 27 HG1 LYS 27 -7.288 6.590 -5.012 230 HD2 LYS 27 HD2 LYS 27 -7.565 6.975 -7.415 231 HD3 LYS 27 HD1 LYS 27 -8.242 8.318 -6.499 232 HE2 LYS 27 HE2 LYS 27 -6.223 9.635 -6.930 233 HE3 LYS 27 HE1 LYS 27 -5.513 8.282 -7.804 234 HZ1 LYS 27 HZ1 LYS 27 -7.923 9.832 -8.592 235 HZ2 LYS 27 HZ2 LYS 27 -7.317 8.492 -9.442 236 HZ3 LYS 27 HZ3 LYS 27 -6.393 9.891 -9.296 237 H LYS 28 HN LYS 28 -6.523 9.098 -1.266 238 HA LYS 28 HA LYS 28 -4.948 11.480 -1.180 239 HB2 LYS 28 HB2 LYS 28 -6.991 10.215 0.566 240 HB3 LYS 28 HB1 LYS 28 -5.881 11.301 1.363 241 HG2 LYS 28 HG2 LYS 28 -7.943 12.451 0.812 242 HG3 LYS 28 HG1 LYS 28 -6.614 13.130 -0.102 243 HD2 LYS 28 HD2 LYS 28 -8.505 11.095 -1.282 244 HD3 LYS 28 HD1 LYS 28 -8.868 12.816 -1.289 245 HE2 LYS 28 HE2 LYS 28 -6.700 13.178 -2.495 246 HE3 LYS 28 HE1 LYS 28 -6.531 11.428 -2.577 247 HZ1 LYS 28 HZ1 LYS 28 -8.731 13.009 -3.772 248 HZ2 LYS 28 HZ2 LYS 28 -8.599 11.332 -3.845 249 HZ3 LYS 28 HZ3 LYS 28 -7.456 12.302 -4.609 250 H LYS 29 HN LYS 29 -4.795 8.380 0.433 251 HA LYS 29 HA LYS 29 -2.598 9.082 2.103 252 HB2 LYS 29 HB2 LYS 29 -3.624 6.359 1.285 253 HB3 LYS 29 HB1 LYS 29 -2.445 6.658 2.554 254 HG2 LYS 29 HG2 LYS 29 -5.310 7.596 2.530 255 HG3 LYS 29 HG1 LYS 29 -4.648 6.278 3.503 256 HD2 LYS 29 HD2 LYS 29 -3.195 7.849 4.666 257 HD3 LYS 29 HD1 LYS 29 -3.803 9.173 3.675 258 HE2 LYS 29 HE2 LYS 29 -6.045 8.790 4.567 259 HE3 LYS 29 HE1 LYS 29 -5.410 7.508 5.598 260 HZ1 LYS 29 HZ1 LYS 29 -4.015 9.137 6.722 261 HZ2 LYS 29 HZ2 LYS 29 -5.629 9.658 6.752 262 HZ3 LYS 29 HZ3 LYS 29 -4.551 10.346 5.687 263 H LEU 30 HN LEU 30 -2.939 7.790 -1.052 264 HA LEU 30 HA LEU 30 -0.234 7.048 -1.316 265 HB2 LEU 30 HB2 LEU 30 -2.340 7.501 -3.411 266 HB3 LEU 30 HB1 LEU 30 -0.728 6.897 -3.747 267 HG LEU 30 HG LEU 30 -2.751 5.504 -1.991 268 HD11 LEU 30 HD11 LEU 30 -2.944 3.909 -3.824 269 HD12 LEU 30 HD12 LEU 30 -1.889 4.919 -4.816 270 HD13 LEU 30 HD13 LEU 30 -3.469 5.520 -4.311 271 HD21 LEU 30 HD21 LEU 30 -0.460 4.984 -1.357 272 HD22 LEU 30 HD22 LEU 30 -0.053 4.629 -3.034 273 HD23 LEU 30 HD23 LEU 30 -1.191 3.602 -2.171 274 H VAL 31 HN VAL 31 -2.024 9.992 -2.006 275 HA VAL 31 HA VAL 31 0.141 11.110 -3.460 276 HB VAL 31 HB VAL 31 -2.241 11.904 -3.716 277 HG11 VAL 31 HG11 VAL 31 -1.742 13.394 -1.166 278 HG12 VAL 31 HG12 VAL 31 -2.884 12.074 -1.408 279 HG13 VAL 31 HG13 VAL 31 -3.125 13.610 -2.240 280 HG21 VAL 31 HG21 VAL 31 -0.192 14.046 -3.174 281 HG22 VAL 31 HG22 VAL 31 -1.673 14.267 -4.106 282 HG23 VAL 31 HG23 VAL 31 -0.418 13.175 -4.690 283 H GLU 32 HN GLU 32 -0.424 10.749 -0.071 284 HA GLU 32 HA GLU 32 1.572 12.789 0.437 285 HB2 GLU 32 HB2 GLU 32 1.209 12.280 2.852 286 HB3 GLU 32 HB1 GLU 32 -0.251 12.785 2.029 287 HG2 GLU 32 HG2 GLU 32 -1.073 10.555 1.981 288 HG3 GLU 32 HG1 GLU 32 0.456 9.922 2.582 289 H VAL 33 HN VAL 33 1.188 9.406 0.123 290 HA VAL 33 HA VAL 33 3.527 8.722 1.546 291 HB VAL 33 HB VAL 33 1.366 7.346 0.921 292 HG11 VAL 33 HG11 VAL 33 1.710 7.261 -1.471 293 HG12 VAL 33 HG12 VAL 33 1.698 5.647 -0.755 294 HG13 VAL 33 HG13 VAL 33 3.223 6.395 -1.228 295 HG21 VAL 33 HG21 VAL 33 2.948 6.727 2.490 296 HG22 VAL 33 HG22 VAL 33 4.079 6.181 1.231 297 HG23 VAL 33 HG23 VAL 33 2.542 5.326 1.492 298 H LEU 34 HN LEU 34 2.790 9.385 -1.814 299 HA LEU 34 HA LEU 34 5.310 8.502 -2.829 300 HB2 LEU 34 HB2 LEU 34 3.313 10.421 -4.025 301 HB3 LEU 34 HB1 LEU 34 4.671 9.720 -4.872 302 HG LEU 34 HG LEU 34 2.294 8.194 -3.804 303 HD11 LEU 34 HD11 LEU 34 1.749 9.635 -5.708 304 HD12 LEU 34 HD12 LEU 34 1.721 7.924 -6.156 305 HD13 LEU 34 HD13 LEU 34 3.102 8.929 -6.597 306 HD21 LEU 34 HD21 LEU 34 3.210 6.332 -5.086 307 HD22 LEU 34 HD22 LEU 34 4.323 6.859 -3.826 308 HD23 LEU 34 HD23 LEU 34 4.615 7.314 -5.506 309 H GLU 35 HN GLU 35 4.445 11.043 -0.956 310 HA GLU 35 HA GLU 35 6.564 12.769 -1.979 311 HB2 GLU 35 HB2 GLU 35 4.146 13.582 -1.469 312 HB3 GLU 35 HB1 GLU 35 4.642 13.494 0.215 313 HG2 GLU 35 HG2 GLU 35 4.896 15.743 -0.623 314 HG3 GLU 35 HG1 GLU 35 6.478 15.048 -0.261 315 H SER 36 HN SER 36 5.463 10.912 0.801 316 HA SER 36 HA SER 36 8.105 10.797 1.907 317 HB2 SER 36 HB2 SER 36 5.866 12.052 3.540 318 HB3 SER 36 HB1 SER 36 7.490 11.695 4.121 319 HG SER 36 HG SER 36 7.689 13.090 1.903 320 HA PRO 37 HA PRO 37 5.661 7.026 2.833 321 HB2 PRO 37 HB2 PRO 37 7.171 5.263 1.619 322 HB3 PRO 37 HB1 PRO 37 6.194 6.393 0.670 323 HG2 PRO 37 HG2 PRO 37 9.128 6.413 1.200 324 HG3 PRO 37 HG1 PRO 37 8.246 6.894 -0.258 325 HD2 PRO 37 HD2 PRO 37 9.201 8.620 1.770 326 HD3 PRO 37 HD1 PRO 37 8.087 9.036 0.457 327 H ARG 38 HN ARG 38 8.693 8.084 3.945 328 HA ARG 38 HA ARG 38 9.224 5.562 5.271 329 HB2 ARG 38 HB2 ARG 38 10.868 8.100 5.325 330 HB3 ARG 38 HB1 ARG 38 11.316 6.592 6.103 331 HG2 ARG 38 HG2 ARG 38 11.297 5.497 3.869 332 HG3 ARG 38 HG1 ARG 38 11.018 7.082 3.147 333 HD2 ARG 38 HD2 ARG 38 13.377 6.522 3.053 334 HD3 ARG 38 HD1 ARG 38 13.116 7.887 4.137 335 HE ARG 38 HE ARG 38 13.046 5.594 5.692 336 HH11 ARG 38 HH11 ARG 38 15.495 7.108 3.624 337 HH12 ARG 38 HH12 ARG 38 16.783 6.691 4.655 338 HH21 ARG 38 HH21 ARG 38 14.827 4.995 7.033 339 HH22 ARG 38 HH22 ARG 38 16.420 5.472 6.605 340 H ILE 39 HN ILE 39 7.501 5.427 6.572 341 HA ILE 39 HA ILE 39 7.444 7.324 8.804 342 HB ILE 39 HB ILE 39 5.114 5.661 7.787 343 HG12 ILE 39 HG12 ILE 39 5.583 8.622 7.324 344 HG13 ILE 39 HG11 ILE 39 5.851 7.380 6.109 345 HG21 ILE 39 HG21 ILE 39 4.993 6.306 10.145 346 HG22 ILE 39 HG22 ILE 39 3.767 7.151 9.203 347 HG23 ILE 39 HG23 ILE 39 5.228 8.000 9.704 348 HD11 ILE 39 HD11 ILE 39 3.213 8.036 7.406 349 HD12 ILE 39 HD12 ILE 39 3.481 6.816 6.162 350 HD13 ILE 39 HD13 ILE 39 3.724 8.522 5.791 351 H GLU 40 HN GLU 40 8.697 6.205 10.245 352 HA GLU 40 HA GLU 40 8.619 3.360 10.323 353 HB2 GLU 40 HB2 GLU 40 10.306 3.502 12.097 354 HB3 GLU 40 HB1 GLU 40 10.732 4.491 10.721 355 HG2 GLU 40 HG2 GLU 40 11.316 5.875 12.452 356 HG3 GLU 40 HG1 GLU 40 9.669 6.409 12.161 357 H ALA 41 HN ALA 41 6.778 5.720 11.728 358 HA ALA 41 HA ALA 41 5.862 4.317 14.022 359 HB1 ALA 41 HB1 ALA 41 4.419 6.368 12.328 360 HB2 ALA 41 HB2 ALA 41 5.462 6.727 13.702 361 HB3 ALA 41 HB3 ALA 41 3.949 5.861 13.948 362 H ASN 42 HN ASN 42 5.207 4.086 10.617 363 HA ASN 42 HA ASN 42 3.001 2.207 11.063 364 HB2 ASN 42 HB2 ASN 42 3.731 3.991 8.760 365 HB3 ASN 42 HB1 ASN 42 2.532 2.709 8.632 366 HD21 ASN 42 HD21 ASN 42 2.494 5.667 8.548 367 HD22 ASN 42 HD22 ASN 42 1.216 6.148 9.606 368 H LYS 43 HN LYS 43 5.987 1.686 11.095 369 HA LYS 43 HA LYS 43 6.569 0.185 8.739 370 HB2 LYS 43 HB2 LYS 43 8.484 -0.685 9.951 371 HB3 LYS 43 HB1 LYS 43 8.339 1.043 10.234 372 HG2 LYS 43 HG2 LYS 43 7.255 0.541 12.414 373 HG3 LYS 43 HG1 LYS 43 7.586 -1.169 12.137 374 HD2 LYS 43 HD2 LYS 43 9.653 1.027 12.293 375 HD3 LYS 43 HD1 LYS 43 9.274 -0.109 13.586 376 HE2 LYS 43 HE2 LYS 43 10.005 -1.963 12.154 377 HE3 LYS 43 HE1 LYS 43 10.376 -0.819 10.863 378 HZ1 LYS 43 HZ1 LYS 43 12.052 0.191 12.262 379 HZ2 LYS 43 HZ2 LYS 43 12.327 -1.492 12.189 380 HZ3 LYS 43 HZ3 LYS 43 11.626 -0.820 13.538 381 H LEU 44 HN LEU 44 6.485 -2.021 8.358 382 HA LEU 44 HA LEU 44 4.382 -3.342 9.778 383 HB2 LEU 44 HB2 LEU 44 4.559 -3.409 7.302 384 HB3 LEU 44 HB1 LEU 44 6.061 -4.295 7.452 385 HG LEU 44 HG LEU 44 4.874 -6.197 8.420 386 HD11 LEU 44 HD11 LEU 44 2.446 -6.227 8.529 387 HD12 LEU 44 HD12 LEU 44 2.387 -4.536 8.028 388 HD13 LEU 44 HD13 LEU 44 3.101 -4.976 9.580 389 HD21 LEU 44 HD21 LEU 44 5.083 -6.075 5.976 390 HD22 LEU 44 HD22 LEU 44 3.564 -5.188 5.894 391 HD23 LEU 44 HD23 LEU 44 3.581 -6.860 6.456 392 H ARG 45 HN ARG 45 4.600 -5.390 10.784 393 HA ARG 45 HA ARG 45 6.557 -5.277 12.760 394 HB2 ARG 45 HB2 ARG 45 4.302 -6.308 13.011 395 HB3 ARG 45 HB1 ARG 45 4.874 -7.698 12.101 396 HG2 ARG 45 HG2 ARG 45 6.509 -8.191 13.816 397 HG3 ARG 45 HG1 ARG 45 6.059 -6.734 14.700 398 HD2 ARG 45 HD2 ARG 45 4.984 -8.519 15.802 399 HD3 ARG 45 HD1 ARG 45 3.729 -7.716 14.870 400 HE ARG 45 HE ARG 45 4.912 -9.919 13.478 401 HH11 ARG 45 HH11 ARG 45 2.307 -9.023 15.736 402 HH12 ARG 45 HH12 ARG 45 1.573 -10.565 15.659 403 HH21 ARG 45 HH21 ARG 45 3.856 -12.020 13.450 404 HH22 ARG 45 HH22 ARG 45 2.448 -12.255 14.389 405 H GLY 46 HN GLY 46 6.293 -7.698 10.176 406 HA2 GLY 46 HA2 GLY 46 9.038 -8.496 10.861 407 HA3 GLY 46 HA1 GLY 46 7.866 -9.520 10.038 408 H MET 47 HN MET 47 8.095 -6.206 9.062 409 HA MET 47 HA MET 47 9.839 -6.908 6.850 410 HB2 MET 47 HB2 MET 47 7.008 -5.947 6.470 411 HB3 MET 47 HB1 MET 47 8.230 -5.877 5.218 412 HG2 MET 47 HG2 MET 47 7.292 -8.409 6.542 413 HG3 MET 47 HG1 MET 47 6.663 -7.784 5.019 414 HE1 MET 47 HE1 MET 47 7.882 -10.727 5.439 415 HE2 MET 47 HE2 MET 47 8.775 -10.893 3.925 416 HE3 MET 47 HE3 MET 47 7.184 -10.128 3.938 417 HA PRO 48 HA PRO 48 10.728 -2.606 8.106 418 HB2 PRO 48 HB2 PRO 48 13.396 -3.407 7.117 419 HB3 PRO 48 HB1 PRO 48 12.961 -2.683 8.668 420 HG2 PRO 48 HG2 PRO 48 13.730 -5.220 8.521 421 HG3 PRO 48 HG1 PRO 48 12.441 -4.722 9.629 422 HD2 PRO 48 HD2 PRO 48 12.203 -6.023 6.931 423 HD3 PRO 48 HD1 PRO 48 11.342 -6.405 8.444 424 H ASP 49 HN ASP 49 10.967 -0.907 6.673 425 HA ASP 49 HA ASP 49 10.889 0.259 4.773 426 HB2 ASP 49 HB2 ASP 49 12.460 -2.070 3.676 427 HB3 ASP 49 HB1 ASP 49 11.893 -0.795 2.605 428 H CYS 50 HN CYS 50 9.026 -2.042 5.492 429 HA CYS 50 HA CYS 50 7.273 -1.617 3.204 430 HB2 CYS 50 HB2 CYS 50 8.038 -4.028 3.512 431 HB3 CYS 50 HB1 CYS 50 7.324 -3.973 5.117 432 HG CYS 50 HG CYS 50 5.131 -3.061 2.847 433 H TYR 51 HN TYR 51 5.333 -0.694 3.846 434 HA TYR 51 HA TYR 51 5.024 -0.299 6.714 435 HB2 TYR 51 HB2 TYR 51 4.855 1.929 4.664 436 HB3 TYR 51 HB1 TYR 51 4.590 2.090 6.395 437 HD1 TYR 51 HD1 TYR 51 6.498 2.055 7.944 438 HD2 TYR 51 HD2 TYR 51 7.082 1.713 3.770 439 HE1 TYR 51 HE1 TYR 51 8.905 2.464 8.257 440 HE2 TYR 51 HE2 TYR 51 9.488 2.130 4.057 441 HH TYR 51 HH TYR 51 11.017 2.970 5.541 442 H LYS 52 HN LYS 52 2.896 0.805 7.122 443 HA LYS 52 HA LYS 52 0.779 -0.379 5.455 444 HB2 LYS 52 HB2 LYS 52 -0.316 -1.026 7.594 445 HB3 LYS 52 HB1 LYS 52 1.231 -1.839 7.370 446 HG2 LYS 52 HG2 LYS 52 2.300 -0.124 8.804 447 HG3 LYS 52 HG1 LYS 52 0.718 0.573 9.090 448 HD2 LYS 52 HD2 LYS 52 1.579 -2.220 9.844 449 HD3 LYS 52 HD1 LYS 52 1.512 -0.847 10.942 450 HE2 LYS 52 HE2 LYS 52 -0.950 -0.698 10.395 451 HE3 LYS 52 HE1 LYS 52 -0.768 -2.243 9.561 452 HZ1 LYS 52 HZ1 LYS 52 0.149 -3.140 11.654 453 HZ2 LYS 52 HZ2 LYS 52 -1.478 -2.720 11.778 454 HZ3 LYS 52 HZ3 LYS 52 -0.272 -1.703 12.426 455 H ILE 53 HN ILE 53 -1.155 0.808 5.491 456 HA ILE 53 HA ILE 53 -1.297 3.237 7.138 457 HB ILE 53 HB ILE 53 -2.296 3.089 4.261 458 HG12 ILE 53 HG12 ILE 53 0.187 4.519 5.265 459 HG13 ILE 53 HG11 ILE 53 0.165 3.030 4.322 460 HG21 ILE 53 HG21 ILE 53 -2.594 5.524 4.525 461 HG22 ILE 53 HG22 ILE 53 -1.973 5.394 6.180 462 HG23 ILE 53 HG23 ILE 53 -3.485 4.612 5.757 463 HD11 ILE 53 HD11 ILE 53 -0.856 4.234 2.452 464 HD12 ILE 53 HD12 ILE 53 0.687 4.949 2.926 465 HD13 ILE 53 HD13 ILE 53 -0.822 5.722 3.403 466 H LYS 54 HN LYS 54 -3.521 3.657 7.785 467 HA LYS 54 HA LYS 54 -5.470 1.770 6.822 468 HB2 LYS 54 HB2 LYS 54 -6.130 1.092 9.123 469 HB3 LYS 54 HB1 LYS 54 -4.543 0.529 8.627 470 HG2 LYS 54 HG2 LYS 54 -3.810 2.769 9.864 471 HG3 LYS 54 HG1 LYS 54 -5.305 2.450 10.746 472 HD2 LYS 54 HD2 LYS 54 -3.047 0.513 10.343 473 HD3 LYS 54 HD1 LYS 54 -3.310 1.442 11.810 474 HE2 LYS 54 HE2 LYS 54 -5.309 -0.535 10.676 475 HE3 LYS 54 HE1 LYS 54 -4.118 -0.953 11.897 476 HZ1 LYS 54 HZ1 LYS 54 -6.211 1.138 12.239 477 HZ2 LYS 54 HZ2 LYS 54 -5.131 0.575 13.416 478 HZ3 LYS 54 HZ3 LYS 54 -6.309 -0.437 12.819 479 H LEU 55 HN LEU 55 -7.334 2.513 6.586 480 HA LEU 55 HA LEU 55 -8.043 5.221 7.028 481 HB2 LEU 55 HB2 LEU 55 -9.407 2.785 5.944 482 HB3 LEU 55 HB1 LEU 55 -10.374 4.176 6.358 483 HG LEU 55 HG LEU 55 -9.268 5.522 4.695 484 HD11 LEU 55 HD11 LEU 55 -7.640 4.652 3.158 485 HD12 LEU 55 HD12 LEU 55 -7.586 3.114 4.023 486 HD13 LEU 55 HD13 LEU 55 -7.003 4.594 4.802 487 HD21 LEU 55 HD21 LEU 55 -11.138 4.211 3.956 488 HD22 LEU 55 HD22 LEU 55 -10.072 2.848 3.611 489 HD23 LEU 55 HD23 LEU 55 -9.940 4.327 2.667 490 H ARG 56 HN ARG 56 -8.671 5.995 8.865 491 HA ARG 56 HA ARG 56 -8.905 4.492 11.199 492 HB2 ARG 56 HB2 ARG 56 -8.222 6.925 10.917 493 HB3 ARG 56 HB1 ARG 56 -9.935 7.294 10.831 494 HG2 ARG 56 HG2 ARG 56 -9.156 7.709 13.058 495 HG3 ARG 56 HG1 ARG 56 -10.209 6.290 13.084 496 HD2 ARG 56 HD2 ARG 56 -8.273 4.825 13.100 497 HD3 ARG 56 HD1 ARG 56 -7.196 6.213 12.979 498 HE ARG 56 HE ARG 56 -8.994 6.085 15.248 499 HH11 ARG 56 HH11 ARG 56 -5.655 5.779 14.041 500 HH12 ARG 56 HH12 ARG 56 -4.983 5.626 15.610 501 HH21 ARG 56 HH21 ARG 56 -8.013 5.906 17.377 502 HH22 ARG 56 HH22 ARG 56 -6.326 5.721 17.515 503 H SER 57 HN SER 57 -11.426 5.886 9.121 504 HA SER 57 HA SER 57 -13.453 4.955 10.975 505 HB2 SER 57 HB2 SER 57 -14.983 6.241 9.421 506 HB3 SER 57 HB1 SER 57 -13.776 7.188 10.295 507 HG SER 57 HG SER 57 -14.105 7.504 7.931 508 H SER 58 HN SER 58 -12.432 4.393 7.618 509 HA SER 58 HA SER 58 -14.624 2.692 7.026 510 HB2 SER 58 HB2 SER 58 -11.973 2.862 5.601 511 HB3 SER 58 HB1 SER 58 -13.506 2.294 4.942 512 HG SER 58 HG SER 58 -14.342 4.402 5.264 513 H GLY 59 HN GLY 59 -11.343 2.107 8.267 514 HA2 GLY 59 HA2 GLY 59 -10.667 0.231 9.439 515 HA3 GLY 59 HA1 GLY 59 -12.142 -0.589 8.940 516 H TYR 60 HN TYR 60 -10.400 0.927 6.439 517 HA TYR 60 HA TYR 60 -9.496 -1.689 5.476 518 HB2 TYR 60 HB2 TYR 60 -10.083 0.903 4.084 519 HB3 TYR 60 HB1 TYR 60 -9.093 -0.328 3.309 520 HD1 TYR 60 HD2 TYR 60 -12.439 0.262 4.816 521 HD2 TYR 60 HD1 TYR 60 -10.085 -2.119 2.202 522 HE1 TYR 60 HE2 TYR 60 -14.456 -0.903 4.062 523 HE2 TYR 60 HE1 TYR 60 -12.099 -3.296 1.444 524 HH TYR 60 HH TYR 60 -14.318 -3.782 2.253 525 H ARG 61 HN ARG 61 -7.414 -1.521 4.153 526 HA ARG 61 HA ARG 61 -5.534 0.331 5.295 527 HB2 ARG 61 HB2 ARG 61 -4.047 -1.438 6.034 528 HB3 ARG 61 HB1 ARG 61 -5.578 -1.521 6.892 529 HG2 ARG 61 HG2 ARG 61 -6.290 -3.325 5.355 530 HG3 ARG 61 HG1 ARG 61 -4.683 -3.279 4.621 531 HD2 ARG 61 HD2 ARG 61 -4.832 -5.040 6.248 532 HD3 ARG 61 HD1 ARG 61 -3.693 -3.796 6.783 533 HE ARG 61 HE ARG 61 -6.471 -3.813 7.731 534 HH11 ARG 61 HH11 ARG 61 -3.008 -3.888 8.519 535 HH12 ARG 61 HH12 ARG 61 -3.295 -3.755 10.209 536 HH21 ARG 61 HH21 ARG 61 -6.798 -3.727 10.053 537 HH22 ARG 61 HH22 ARG 61 -5.446 -3.708 11.096 538 H LEU 62 HN LEU 62 -3.464 0.063 4.257 539 HA LEU 62 HA LEU 62 -3.457 -1.326 1.722 540 HB2 LEU 62 HB2 LEU 62 -4.217 1.011 1.322 541 HB3 LEU 62 HB1 LEU 62 -2.796 1.612 2.133 542 HG LEU 62 HG LEU 62 -2.531 -0.034 -0.380 543 HD11 LEU 62 HD11 LEU 62 -4.125 1.783 -0.853 544 HD12 LEU 62 HD12 LEU 62 -2.582 2.045 -1.658 545 HD13 LEU 62 HD13 LEU 62 -2.978 2.952 -0.196 546 HD21 LEU 62 HD21 LEU 62 -0.504 0.457 0.914 547 HD22 LEU 62 HD22 LEU 62 -0.878 2.181 0.840 548 HD23 LEU 62 HD23 LEU 62 -0.493 1.297 -0.639 549 H VAL 63 HN VAL 63 -1.521 -2.251 1.398 550 HA VAL 63 HA VAL 63 0.610 -1.748 3.378 551 HB VAL 63 HB VAL 63 0.213 -4.302 1.819 552 HG11 VAL 63 HG11 VAL 63 1.718 -3.731 4.360 553 HG12 VAL 63 HG12 VAL 63 2.406 -3.997 2.761 554 HG13 VAL 63 HG13 VAL 63 1.569 -5.313 3.590 555 HG21 VAL 63 HG21 VAL 63 -1.829 -3.998 3.088 556 HG22 VAL 63 HG22 VAL 63 -0.904 -3.721 4.564 557 HG23 VAL 63 HG23 VAL 63 -0.872 -5.306 3.786 558 H TYR 64 HN TYR 64 2.597 -1.272 2.475 559 HA TYR 64 HA TYR 64 2.994 -1.801 -0.357 560 HB2 TYR 64 HB2 TYR 64 3.636 0.508 -0.864 561 HB3 TYR 64 HB1 TYR 64 1.972 0.439 -0.303 562 HD1 TYR 64 HD1 TYR 64 1.477 1.152 2.078 563 HD2 TYR 64 HD2 TYR 64 5.246 1.861 0.232 564 HE1 TYR 64 HE1 TYR 64 1.990 2.864 3.766 565 HE2 TYR 64 HE2 TYR 64 5.748 3.565 1.924 566 HH TYR 64 HH TYR 64 3.885 3.945 4.755 567 H GLN 65 HN GLN 65 5.237 -1.089 -0.972 568 HA GLN 65 HA GLN 65 7.116 -1.349 1.230 569 HB2 GLN 65 HB2 GLN 65 7.067 -3.482 0.138 570 HB3 GLN 65 HB1 GLN 65 7.150 -2.740 -1.451 571 HG2 GLN 65 HG2 GLN 65 9.426 -2.015 -1.045 572 HG3 GLN 65 HG1 GLN 65 9.352 -2.627 0.607 573 HE21 GLN 65 HE21 GLN 65 7.949 -4.958 -0.076 574 HE22 GLN 65 HE22 GLN 65 9.040 -6.039 -0.886 575 H VAL 66 HN VAL 66 8.861 -0.098 1.055 576 HA VAL 66 HA VAL 66 8.685 1.978 -0.996 577 HB VAL 66 HB VAL 66 10.204 2.020 1.642 578 HG11 VAL 66 HG11 VAL 66 11.255 3.450 -0.076 579 HG12 VAL 66 HG12 VAL 66 10.495 4.414 1.198 580 HG13 VAL 66 HG13 VAL 66 9.697 4.233 -0.357 581 HG21 VAL 66 HG21 VAL 66 8.500 3.598 2.360 582 HG22 VAL 66 HG22 VAL 66 7.793 2.038 1.912 583 HG23 VAL 66 HG23 VAL 66 7.679 3.405 0.809 584 H ILE 67 HN ILE 67 9.996 1.776 -2.590 585 HA ILE 67 HA ILE 67 12.478 0.266 -2.238 586 HB ILE 67 HB ILE 67 11.007 0.955 -4.797 587 HG12 ILE 67 HG12 ILE 67 11.021 -1.675 -3.279 588 HG13 ILE 67 HG11 ILE 67 9.663 -0.558 -3.343 589 HG21 ILE 67 HG21 ILE 67 13.232 -1.019 -4.234 590 HG22 ILE 67 HG22 ILE 67 13.409 0.528 -5.054 591 HG23 ILE 67 HG23 ILE 67 12.462 -0.759 -5.802 592 HD11 ILE 67 HD11 ILE 67 9.457 -0.948 -5.742 593 HD12 ILE 67 HD12 ILE 67 9.367 -2.463 -4.844 594 HD13 ILE 67 HD13 ILE 67 10.851 -2.023 -5.692 595 H ASP 68 HN ASP 68 14.036 1.758 -1.806 596 HA ASP 68 HA ASP 68 13.826 4.471 -2.720 597 HB2 ASP 68 HB2 ASP 68 15.756 4.956 -1.422 598 HB3 ASP 68 HB1 ASP 68 14.877 3.748 -0.501 599 H GLU 69 HN GLU 69 15.574 1.611 -3.688 600 HA GLU 69 HA GLU 69 17.466 2.878 -5.352 601 HB2 GLU 69 HB2 GLU 69 17.764 0.651 -6.429 602 HB3 GLU 69 HB1 GLU 69 17.873 0.612 -4.675 603 HG2 GLU 69 HG2 GLU 69 15.713 -0.358 -4.490 604 HG3 GLU 69 HG1 GLU 69 15.379 -0.067 -6.190 605 H LYS 70 HN LYS 70 14.208 1.842 -5.997 606 HA LYS 70 HA LYS 70 14.475 2.692 -8.801 607 HB2 LYS 70 HB2 LYS 70 12.334 1.064 -7.424 608 HB3 LYS 70 HB1 LYS 70 12.243 1.577 -9.100 609 HG2 LYS 70 HG2 LYS 70 14.228 0.263 -9.612 610 HG3 LYS 70 HG1 LYS 70 14.344 -0.226 -7.922 611 HD2 LYS 70 HD2 LYS 70 12.200 -1.348 -8.058 612 HD3 LYS 70 HD1 LYS 70 11.983 -0.784 -9.713 613 HE2 LYS 70 HE2 LYS 70 12.694 -3.115 -9.668 614 HE3 LYS 70 HE1 LYS 70 13.915 -2.105 -10.426 615 HZ1 LYS 70 HZ1 LYS 70 13.992 -3.126 -7.630 616 HZ2 LYS 70 HZ2 LYS 70 15.223 -2.221 -8.332 617 HZ3 LYS 70 HZ3 LYS 70 14.847 -3.747 -8.915 618 H VAL 71 HN VAL 71 13.700 3.877 -5.914 619 HA VAL 71 HA VAL 71 12.395 5.437 -4.964 620 HB VAL 71 HB VAL 71 12.348 6.867 -7.621 621 HG11 VAL 71 HG11 VAL 71 12.473 8.873 -6.249 622 HG12 VAL 71 HG12 VAL 71 12.616 7.859 -4.807 623 HG13 VAL 71 HG13 VAL 71 11.130 7.832 -5.741 624 HG21 VAL 71 HG21 VAL 71 14.525 7.816 -7.097 625 HG22 VAL 71 HG22 VAL 71 14.591 6.064 -7.347 626 HG23 VAL 71 HG23 VAL 71 14.665 6.729 -5.708 627 H VAL 72 HN VAL 72 10.641 3.823 -4.950 628 HA VAL 72 HA VAL 72 8.321 4.887 -6.256 629 HB VAL 72 HB VAL 72 9.265 3.470 -8.008 630 HG11 VAL 72 HG11 VAL 72 9.064 1.215 -6.039 631 HG12 VAL 72 HG12 VAL 72 10.543 1.928 -6.688 632 HG13 VAL 72 HG13 VAL 72 9.448 1.049 -7.754 633 HG21 VAL 72 HG21 VAL 72 7.344 2.015 -8.428 634 HG22 VAL 72 HG22 VAL 72 6.853 3.617 -7.877 635 HG23 VAL 72 HG23 VAL 72 6.819 2.248 -6.761 636 H VAL 73 HN VAL 73 6.430 4.271 -5.286 637 HA VAL 73 HA VAL 73 6.617 2.688 -2.860 638 HB VAL 73 HB VAL 73 4.417 4.487 -3.931 639 HG11 VAL 73 HG11 VAL 73 3.337 4.205 -1.760 640 HG12 VAL 73 HG12 VAL 73 4.612 3.096 -1.266 641 HG13 VAL 73 HG13 VAL 73 3.516 2.649 -2.573 642 HG21 VAL 73 HG21 VAL 73 5.040 5.954 -2.062 643 HG22 VAL 73 HG22 VAL 73 6.318 5.718 -3.259 644 HG23 VAL 73 HG23 VAL 73 6.400 4.871 -1.708 645 H PHE 74 HN PHE 74 6.450 0.659 -3.415 646 HA PHE 74 HA PHE 74 4.657 -0.114 -5.559 647 HB2 PHE 74 HB2 PHE 74 6.880 -1.004 -5.762 648 HB3 PHE 74 HB1 PHE 74 6.859 -1.578 -4.103 649 HD1 PHE 74 HD1 PHE 74 4.313 -1.979 -6.807 650 HD2 PHE 74 HD2 PHE 74 7.143 -3.852 -4.237 651 HE1 PHE 74 HE1 PHE 74 3.559 -4.174 -7.572 652 HE2 PHE 74 HE2 PHE 74 6.381 -6.050 -5.005 653 HZ PHE 74 HZ PHE 74 4.588 -6.210 -6.669 654 H VAL 75 HN VAL 75 2.686 -0.188 -4.817 655 HA VAL 75 HA VAL 75 2.008 -1.062 -2.199 656 HB VAL 75 HB VAL 75 0.204 -0.628 -4.584 657 HG11 VAL 75 HG11 VAL 75 -0.871 -1.987 -2.872 658 HG12 VAL 75 HG12 VAL 75 -1.591 -0.378 -2.915 659 HG13 VAL 75 HG13 VAL 75 -0.448 -0.799 -1.640 660 HG21 VAL 75 HG21 VAL 75 -0.246 1.575 -3.578 661 HG22 VAL 75 HG22 VAL 75 1.441 1.375 -4.057 662 HG23 VAL 75 HG23 VAL 75 0.990 1.252 -2.357 663 H ILE 76 HN ILE 76 1.641 -2.960 -1.525 664 HA ILE 76 HA ILE 76 1.973 -5.256 -3.259 665 HB ILE 76 HB ILE 76 1.637 -5.073 -0.267 666 HG12 ILE 76 HG12 ILE 76 3.642 -3.854 -1.032 667 HG13 ILE 76 HG11 ILE 76 4.065 -5.272 -0.089 668 HG21 ILE 76 HG21 ILE 76 2.584 -7.285 -0.195 669 HG22 ILE 76 HG22 ILE 76 2.660 -7.347 -1.960 670 HG23 ILE 76 HG23 ILE 76 1.095 -7.275 -1.141 671 HD11 ILE 76 HD11 ILE 76 4.184 -5.006 -3.087 672 HD12 ILE 76 HD12 ILE 76 4.572 -6.466 -2.178 673 HD13 ILE 76 HD13 ILE 76 5.551 -5.014 -1.973 674 H SER 77 HN SER 77 -0.381 -4.069 -0.821 675 HA SER 77 HA SER 77 -2.483 -5.518 -2.197 676 HB2 SER 77 HB2 SER 77 -1.839 -6.016 0.718 677 HB3 SER 77 HB1 SER 77 -3.204 -6.689 -0.177 678 HG SER 77 HG SER 77 -1.092 -7.220 -1.588 679 H VAL 78 HN VAL 78 -4.597 -4.896 -1.490 680 HA VAL 78 HA VAL 78 -4.826 -2.540 0.202 681 HB VAL 78 HB VAL 78 -6.059 -2.888 -2.567 682 HG11 VAL 78 HG11 VAL 78 -7.049 -0.695 -2.231 683 HG12 VAL 78 HG12 VAL 78 -6.398 -0.659 -0.593 684 HG13 VAL 78 HG13 VAL 78 -7.610 -1.864 -1.036 685 HG21 VAL 78 HG21 VAL 78 -4.073 -0.821 -1.623 686 HG22 VAL 78 HG22 VAL 78 -4.832 -0.872 -3.215 687 HG23 VAL 78 HG23 VAL 78 -3.730 -2.157 -2.722 688 H GLY 79 HN GLY 79 -6.586 -2.921 1.583 689 HA2 GLY 79 HA2 GLY 79 -9.035 -3.781 1.083 690 HA3 GLY 79 HA1 GLY 79 -8.156 -5.310 1.085 691 H LYS 80 HN LYS 80 -9.202 -6.027 2.955 692 HA LYS 80 HA LYS 80 -8.382 -4.543 5.339 693 HB2 LYS 80 HB2 LYS 80 -10.817 -6.242 4.928 694 HB3 LYS 80 HB1 LYS 80 -10.224 -5.759 6.506 695 HG2 LYS 80 HG2 LYS 80 -10.526 -3.401 5.862 696 HG3 LYS 80 HG1 LYS 80 -11.201 -3.928 4.316 697 HD2 LYS 80 HD2 LYS 80 -12.979 -3.379 5.905 698 HD3 LYS 80 HD1 LYS 80 -13.013 -5.097 5.526 699 HE2 LYS 80 HE2 LYS 80 -11.803 -5.568 7.631 700 HE3 LYS 80 HE1 LYS 80 -11.802 -3.843 7.995 701 HZ1 LYS 80 HZ1 LYS 80 -14.260 -3.969 8.008 702 HZ2 LYS 80 HZ2 LYS 80 -13.528 -4.928 9.178 703 HZ3 LYS 80 HZ3 LYS 80 -14.151 -5.642 7.794 704 H ALA 81 HN ALA 81 -7.739 -5.615 7.071 705 HA ALA 81 HA ALA 81 -7.297 -8.510 6.917 706 HB1 ALA 81 HB1 ALA 81 -5.692 -6.389 8.331 707 HB2 ALA 81 HB2 ALA 81 -5.086 -7.474 7.048 708 HB3 ALA 81 HB3 ALA 81 -5.574 -8.110 8.641 709 H GLU 82 HN GLU 82 -7.825 -9.480 8.962 710 HA GLU 82 HA GLU 82 -9.604 -7.668 10.278 711 HB2 GLU 82 HB2 GLU 82 -10.672 -9.509 9.172 712 HB3 GLU 82 HB1 GLU 82 -9.770 -10.655 10.152 713 HG2 GLU 82 HG2 GLU 82 -10.875 -10.169 12.003 714 HG3 GLU 82 HG1 GLU 82 -11.341 -8.552 11.435 715 H ALA 83 HN ALA 83 -8.802 -6.778 11.897 716 HA ALA 83 HA ALA 83 -6.816 -7.976 13.588 717 HB1 ALA 83 HB1 ALA 83 -8.346 -5.389 13.894 718 HB2 ALA 83 HB2 ALA 83 -6.780 -5.569 13.106 719 HB3 ALA 83 HB3 ALA 83 -6.938 -5.870 14.838 720 H SER 84 HN SER 84 -7.075 -8.418 15.813 721 HA SER 84 HA SER 84 -8.009 -9.222 17.640 722 HB2 SER 84 HB2 SER 84 -9.344 -7.176 17.827 723 HB3 SER 84 HB1 SER 84 -10.532 -7.814 16.693 724 HG SER 84 HG SER 84 -11.336 -9.115 18.210 725 H GLU 85 HN GLU 85 -10.494 -9.564 15.153 726 HA GLU 85 HA GLU 85 -11.570 -11.817 16.387 727 HB2 GLU 85 HB2 GLU 85 -12.113 -10.793 13.621 728 HB3 GLU 85 HB1 GLU 85 -13.100 -11.946 14.518 729 HG2 GLU 85 HG2 GLU 85 -12.542 -9.091 15.289 730 HG3 GLU 85 HG1 GLU 85 -14.073 -9.749 14.718 731 H VAL 86 HN VAL 86 -9.183 -11.634 13.865 732 HA VAL 86 HA VAL 86 -9.349 -14.336 13.089 733 HB VAL 86 HB VAL 86 -6.974 -12.421 13.012 734 HG11 VAL 86 HG11 VAL 86 -7.262 -15.119 11.701 735 HG12 VAL 86 HG12 VAL 86 -6.157 -14.735 13.028 736 HG13 VAL 86 HG13 VAL 86 -5.937 -13.983 11.443 737 HG21 VAL 86 HG21 VAL 86 -7.477 -12.316 10.635 738 HG22 VAL 86 HG22 VAL 86 -8.857 -11.810 11.614 739 HG23 VAL 86 HG23 VAL 86 -8.840 -13.410 10.872 740 H TYR 87 HN TYR 87 -7.916 -12.768 15.829 741 HA TYR 87 HA TYR 87 -6.654 -15.207 16.734 742 HB2 TYR 87 HB2 TYR 87 -5.442 -13.154 17.160 743 HB3 TYR 87 HB1 TYR 87 -6.842 -12.440 17.950 744 HD1 TYR 87 HD1 TYR 87 -4.382 -15.212 18.251 745 HD2 TYR 87 HD2 TYR 87 -7.140 -12.672 20.256 746 HE1 TYR 87 HE1 TYR 87 -3.609 -16.082 20.415 747 HE2 TYR 87 HE2 TYR 87 -6.380 -13.533 22.418 748 HH TYR 87 HH TYR 87 -3.569 -15.429 22.703 749 H SER 88 HN SER 88 -9.421 -13.124 17.538 750 HA SER 88 HA SER 88 -10.280 -14.334 19.870 751 HB2 SER 88 HB2 SER 88 -12.079 -13.199 17.731 752 HB3 SER 88 HB1 SER 88 -12.404 -13.305 19.456 753 HG SER 88 HG SER 88 -11.616 -11.249 18.481 754 H GLU 89 HN GLU 89 -10.926 -15.236 16.513 755 HA GLU 89 HA GLU 89 -12.780 -17.284 17.271 756 HB2 GLU 89 HB2 GLU 89 -13.011 -15.934 15.195 757 HB3 GLU 89 HB1 GLU 89 -11.567 -16.701 14.564 758 HG2 GLU 89 HG2 GLU 89 -12.641 -18.804 14.424 759 HG3 GLU 89 HG1 GLU 89 -14.029 -18.231 15.349 760 H ALA 90 HN ALA 90 -9.488 -17.092 17.271 761 HA ALA 90 HA ALA 90 -9.082 -19.949 16.791 762 HB1 ALA 90 HB1 ALA 90 -7.097 -17.693 17.156 763 HB2 ALA 90 HB2 ALA 90 -7.551 -18.430 15.618 764 HB3 ALA 90 HB3 ALA 90 -6.685 -19.377 16.831 765 H VAL 91 HN VAL 91 -7.008 -20.504 18.539 766 HA VAL 91 HA VAL 91 -8.459 -20.492 20.976 767 HB VAL 91 HB VAL 91 -6.648 -21.686 22.031 768 HG11 VAL 91 HG11 VAL 91 -7.274 -22.792 19.310 769 HG12 VAL 91 HG12 VAL 91 -8.220 -22.999 20.788 770 HG13 VAL 91 HG13 VAL 91 -6.619 -23.723 20.657 771 HG21 VAL 91 HG21 VAL 91 -4.705 -20.636 21.032 772 HG22 VAL 91 HG22 VAL 91 -5.095 -21.340 19.464 773 HG23 VAL 91 HG23 VAL 91 -4.612 -22.383 20.801 774 H LYS 92 HN LYS 92 -8.293 -19.350 22.638 775 HA LYS 92 HA LYS 92 -6.454 -17.077 22.577 776 HB2 LYS 92 HB2 LYS 92 -9.080 -17.521 23.997 777 HB3 LYS 92 HB1 LYS 92 -8.113 -16.051 24.154 778 HG2 LYS 92 HG2 LYS 92 -8.474 -15.459 21.896 779 HG3 LYS 92 HG1 LYS 92 -9.063 -17.068 21.502 780 HD2 LYS 92 HD2 LYS 92 -10.500 -15.224 23.414 781 HD3 LYS 92 HD1 LYS 92 -10.831 -15.245 21.683 782 HE2 LYS 92 HE2 LYS 92 -11.089 -17.627 23.541 783 HE3 LYS 92 HE1 LYS 92 -12.421 -16.638 22.952 784 HZ1 LYS 92 HZ1 LYS 92 -11.886 -17.329 20.687 785 HZ2 LYS 92 HZ2 LYS 92 -12.191 -18.670 21.643 786 HZ3 LYS 92 HZ3 LYS 92 -10.629 -18.302 21.208 787 H ARG 93 HN ARG 93 -8.125 -18.832 25.213 788 HA ARG 93 HA ARG 93 -5.471 -19.463 26.317 789 HB2 ARG 93 HB2 ARG 93 -8.010 -18.866 27.854 790 HB3 ARG 93 HB1 ARG 93 -6.479 -19.345 28.558 791 HG2 ARG 93 HG2 ARG 93 -5.483 -17.251 27.637 792 HG3 ARG 93 HG1 ARG 93 -7.111 -16.770 27.145 793 HD2 ARG 93 HD2 ARG 93 -6.180 -17.372 29.942 794 HD3 ARG 93 HD1 ARG 93 -6.551 -15.783 29.288 795 HE ARG 93 HE ARG 93 -8.851 -16.582 29.031 796 HH11 ARG 93 HH11 ARG 93 -6.773 -18.317 31.372 797 HH12 ARG 93 HH12 ARG 93 -8.044 -18.742 32.401 798 HH21 ARG 93 HH21 ARG 93 -10.619 -17.191 30.509 799 HH22 ARG 93 HH22 ARG 93 -10.262 -18.080 31.908 800 H ILE 94 HN ILE 94 -7.251 -20.877 24.498 801 HA ILE 94 HA ILE 94 -8.442 -22.980 26.099 802 HB ILE 94 HB ILE 94 -8.317 -22.741 23.075 803 HG12 ILE 94 HG12 ILE 94 -9.571 -20.865 23.970 804 HG13 ILE 94 HG11 ILE 94 -10.678 -22.016 23.233 805 HG21 ILE 94 HG21 ILE 94 -10.027 -24.519 24.822 806 HG22 ILE 94 HG22 ILE 94 -8.680 -25.039 23.811 807 HG23 ILE 94 HG23 ILE 94 -10.140 -24.391 23.065 808 HD11 ILE 94 HD11 ILE 94 -11.257 -22.860 25.451 809 HD12 ILE 94 HD12 ILE 94 -11.606 -21.141 25.281 810 HD13 ILE 94 HD13 ILE 94 -10.184 -21.665 26.185 811 H LEU 95 HN LEU 95 -6.972 -24.218 26.949 812 HA LEU 95 HA LEU 95 -4.919 -25.371 25.220 813 HB2 LEU 95 HB2 LEU 95 -4.016 -23.789 26.914 814 HB3 LEU 95 HB1 LEU 95 -4.777 -24.735 28.172 815 HG LEU 95 HG LEU 95 -3.308 -26.645 27.592 816 HD11 LEU 95 HD11 LEU 95 -2.869 -26.120 25.262 817 HD12 LEU 95 HD12 LEU 95 -1.360 -26.254 26.164 818 HD13 LEU 95 HD13 LEU 95 -1.995 -24.665 25.742 819 HD21 LEU 95 HD21 LEU 95 -1.884 -24.064 28.239 820 HD22 LEU 95 HD22 LEU 95 -1.277 -25.689 28.562 821 HD23 LEU 95 HD23 LEU 95 -2.721 -25.104 29.389 822 H LYS 47 H LYS 47 10.555 0.369 24.170 823 HA LYS 47 HA LYS 47 10.669 -1.960 23.592 824 HB2 LYS 47 HB2 LYS 47 10.233 -1.316 25.948 825 HB3 LYS 47 HB1 LYS 47 8.513 -1.342 25.623 826 HG2 LYS 47 HG2 LYS 47 9.134 -3.361 26.794 827 HG3 LYS 47 HG1 LYS 47 8.647 -3.762 25.152 828 HD2 LYS 47 HD2 LYS 47 10.606 -5.055 25.716 829 HD3 LYS 47 HD1 LYS 47 11.058 -3.857 24.513 830 HE2 LYS 47 HE2 LYS 47 12.775 -3.979 26.218 831 HE3 LYS 47 HE1 LYS 47 11.964 -2.426 26.327 832 HZ1 LYS 47 HZ1 LYS 47 10.680 -3.286 28.224 833 HZ2 LYS 47 HZ2 LYS 47 12.333 -3.420 28.494 834 HZ3 LYS 47 HZ3 LYS 47 11.454 -4.777 28.075 835 H GLN 48 HN GLN 48 7.262 -0.986 23.801 836 HA GLN 48 HA GLN 48 6.711 -3.147 21.929 837 HB2 GLN 48 HB2 GLN 48 5.507 -3.201 24.084 838 HB3 GLN 48 HB1 GLN 48 4.831 -1.619 23.717 839 HG2 GLN 48 HG2 GLN 48 3.712 -2.545 21.757 840 HG3 GLN 48 HG1 GLN 48 4.383 -4.126 22.120 841 HE21 GLN 48 HE21 GLN 48 3.241 -1.920 24.567 842 HE22 GLN 48 HE22 GLN 48 1.869 -2.866 25.021 843 H THR 49 HN THR 49 6.730 -2.425 19.911 844 HA THR 49 HA THR 49 6.090 0.233 19.207 845 HB THR 49 HB THR 49 6.440 -2.264 17.544 846 HG1 THR 49 HG1 THR 49 8.231 -0.626 18.952 847 HG21 THR 49 HG21 THR 49 5.496 -0.353 16.387 848 HG22 THR 49 HG22 THR 49 7.149 -0.684 15.826 849 HG23 THR 49 HG23 THR 49 6.832 0.656 16.952 850 H LEU 50 HN LEU 50 4.089 0.935 18.415 851 HA LEU 50 HA LEU 50 1.917 -0.730 18.986 852 HB2 LEU 50 HB2 LEU 50 2.089 2.064 17.981 853 HB3 LEU 50 HB1 LEU 50 0.560 1.212 18.044 854 HG LEU 50 HG LEU 50 1.096 0.776 20.504 855 HD11 LEU 50 HD11 LEU 50 2.514 2.397 21.618 856 HD12 LEU 50 HD12 LEU 50 3.067 2.981 20.045 857 HD13 LEU 50 HD13 LEU 50 3.401 1.318 20.539 858 HD21 LEU 50 HD21 LEU 50 -0.612 2.237 19.780 859 HD22 LEU 50 HD22 LEU 50 0.543 3.568 19.581 860 HD23 LEU 50 HD23 LEU 50 0.200 2.917 21.192 861 H LEU 51 HN LEU 51 1.829 -2.366 17.813 862 HA LEU 51 HA LEU 51 0.509 -2.316 15.343 863 HB2 LEU 51 HB2 LEU 51 2.221 -3.871 14.248 864 HB3 LEU 51 HB1 LEU 51 2.696 -2.194 14.338 865 HG LEU 51 HG LEU 51 4.074 -2.861 16.387 866 HD11 LEU 51 HD11 LEU 51 3.063 -5.017 16.838 867 HD12 LEU 51 HD12 LEU 51 4.794 -5.165 16.531 868 HD13 LEU 51 HD13 LEU 51 3.634 -5.616 15.279 869 HD21 LEU 51 HD21 LEU 51 5.929 -3.648 14.998 870 HD22 LEU 51 HD22 LEU 51 5.064 -2.302 14.257 871 HD23 LEU 51 HD23 LEU 51 4.803 -3.946 13.675 872 H SER 52 HN SER 52 0.168 -4.949 14.882 873 HA SER 52 HA SER 52 -0.076 -6.122 17.517 874 HB2 SER 52 HB2 SER 52 -2.073 -4.666 17.295 875 HB3 SER 52 HB1 SER 52 -2.491 -5.449 15.785 876 HG SER 52 HG SER 52 -2.511 -6.503 18.406 877 H ASP 53 HN ASP 53 -1.935 -8.075 16.646 878 HA ASP 53 HA ASP 53 -0.097 -9.611 14.987 879 HB2 ASP 53 HB2 ASP 53 -1.272 -10.416 17.217 880 HB3 ASP 53 HB1 ASP 53 -2.599 -10.802 16.123 881 H GLU 54 HN GLU 54 -2.434 -7.536 14.402 882 HA GLU 54 HA GLU 54 -3.717 -8.790 12.175 883 HB2 GLU 54 HB2 GLU 54 -4.196 -6.425 11.427 884 HB3 GLU 54 HB1 GLU 54 -4.756 -6.780 13.053 885 HG2 GLU 54 HG2 GLU 54 -3.148 -5.462 14.035 886 HG3 GLU 54 HG1 GLU 54 -2.078 -5.509 12.634 887 H ASP 55 HN ASP 55 -0.782 -7.055 12.813 888 HA ASP 55 HA ASP 55 0.147 -6.600 10.212 889 HB2 ASP 55 HB2 ASP 55 1.618 -6.955 12.829 890 HB3 ASP 55 HB1 ASP 55 2.376 -6.410 11.332 891 H ALA 56 HN ALA 56 0.106 -9.295 12.254 892 HA ALA 56 HA ALA 56 2.048 -10.932 11.022 893 HB1 ALA 56 HB1 ALA 56 1.036 -11.426 13.183 894 HB2 ALA 56 HB2 ALA 56 0.898 -12.800 12.080 895 HB3 ALA 56 HB3 ALA 56 -0.499 -11.756 12.389 896 H GLU 57 HN GLU 57 -1.254 -10.167 10.181 897 HA GLU 57 HA GLU 57 -1.664 -12.227 8.261 898 HB2 GLU 57 HB2 GLU 57 -3.484 -11.029 9.401 899 HB3 GLU 57 HB1 GLU 57 -2.952 -9.523 8.693 900 HG2 GLU 57 HG2 GLU 57 -4.852 -10.233 7.466 901 HG3 GLU 57 HG1 GLU 57 -3.443 -10.501 6.443 902 H LEU 58 HN LEU 58 -0.738 -8.860 8.253 903 HA LEU 58 HA LEU 58 -0.586 -8.470 5.478 904 HB2 LEU 58 HB2 LEU 58 0.685 -6.996 7.764 905 HB3 LEU 58 HB1 LEU 58 0.979 -6.548 6.107 906 HG LEU 58 HG LEU 58 -1.408 -6.003 5.816 907 HD11 LEU 58 HD11 LEU 58 -1.700 -6.643 8.729 908 HD12 LEU 58 HD12 LEU 58 -2.403 -7.541 7.382 909 HD13 LEU 58 HD13 LEU 58 -2.918 -5.886 7.699 910 HD21 LEU 58 HD21 LEU 58 -0.148 -4.674 8.204 911 HD22 LEU 58 HD22 LEU 58 -1.451 -4.009 7.220 912 HD23 LEU 58 HD23 LEU 58 0.144 -4.269 6.516 913 H VAL 59 HN VAL 59 1.840 -9.544 7.798 914 HA VAL 59 HA VAL 59 3.980 -9.309 5.956 915 HB VAL 59 HB VAL 59 5.423 -10.456 7.511 916 HG11 VAL 59 HG11 VAL 59 5.137 -9.221 9.546 917 HG12 VAL 59 HG12 VAL 59 3.541 -8.711 8.987 918 HG13 VAL 59 HG13 VAL 59 4.985 -8.246 8.085 919 HG21 VAL 59 HG21 VAL 59 4.005 -12.363 8.081 920 HG22 VAL 59 HG22 VAL 59 2.951 -11.311 9.025 921 HG23 VAL 59 HG23 VAL 59 4.624 -11.576 9.532 922 H GLU 60 HN GLU 60 1.696 -11.909 6.520 923 HA GLU 60 HA GLU 60 3.328 -13.688 4.971 924 HB2 GLU 60 HB2 GLU 60 1.540 -15.371 5.224 925 HB3 GLU 60 HB1 GLU 60 2.071 -14.720 6.758 926 HG2 GLU 60 HG2 GLU 60 0.087 -13.374 6.924 927 HG3 GLU 60 HG1 GLU 60 -0.424 -13.872 5.310 928 H ILE 61 HN ILE 61 0.637 -11.580 4.403 929 HA ILE 61 HA ILE 61 -0.012 -12.601 1.833 930 HB ILE 61 HB ILE 61 -0.507 -9.831 2.989 931 HG12 ILE 61 HG12 ILE 61 -2.360 -12.211 2.734 932 HG13 ILE 61 HG11 ILE 61 -1.604 -11.674 4.228 933 HG21 ILE 61 HG21 ILE 61 -2.211 -9.586 1.218 934 HG22 ILE 61 HG22 ILE 61 -1.699 -11.124 0.524 935 HG23 ILE 61 HG23 ILE 61 -0.586 -9.758 0.552 936 HD11 ILE 61 HD11 ILE 61 -2.845 -9.573 4.085 937 HD12 ILE 61 HD12 ILE 61 -3.922 -10.966 4.105 938 HD13 ILE 61 HD13 ILE 61 -3.598 -10.121 2.588 939 H VAL 62 HN VAL 62 2.061 -9.957 2.965 940 HA VAL 62 HA VAL 62 2.740 -9.077 0.410 941 HB VAL 62 HB VAL 62 3.131 -7.537 2.285 942 HG11 VAL 62 HG11 VAL 62 4.912 -7.840 3.891 943 HG12 VAL 62 HG12 VAL 62 5.282 -9.419 3.191 944 HG13 VAL 62 HG13 VAL 62 3.724 -9.146 3.978 945 HG21 VAL 62 HG21 VAL 62 4.556 -7.242 0.283 946 HG22 VAL 62 HG22 VAL 62 5.774 -8.269 1.029 947 HG23 VAL 62 HG23 VAL 62 5.365 -6.723 1.762 948 H LYS 63 HN LYS 63 4.364 -11.405 2.492 949 HA LYS 63 HA LYS 63 6.581 -11.709 0.757 950 HB2 LYS 63 HB2 LYS 63 7.190 -13.621 2.076 951 HB3 LYS 63 HB1 LYS 63 6.643 -12.333 3.136 952 HG2 LYS 63 HG2 LYS 63 4.445 -13.472 3.281 953 HG3 LYS 63 HG1 LYS 63 5.127 -14.810 2.359 954 HD2 LYS 63 HD2 LYS 63 6.079 -13.814 5.048 955 HD3 LYS 63 HD1 LYS 63 5.220 -15.319 4.728 956 HE2 LYS 63 HE2 LYS 63 7.110 -16.031 3.285 957 HE3 LYS 63 HE1 LYS 63 7.957 -14.562 3.734 958 HZ1 LYS 63 HZ1 LYS 63 8.690 -16.408 5.069 959 HZ2 LYS 63 HZ2 LYS 63 7.126 -16.696 5.612 960 HZ3 LYS 63 HZ3 LYS 63 7.918 -15.273 6.051 961 H GLU 64 HN GLU 64 3.388 -12.971 0.669 962 HA GLU 64 HA GLU 64 3.968 -15.154 -1.058 963 HB2 GLU 64 HB2 GLU 64 1.935 -15.321 0.204 964 HB3 GLU 64 HB1 GLU 64 1.393 -13.747 -0.355 965 HG2 GLU 64 HG2 GLU 64 0.960 -14.515 -2.506 966 HG3 GLU 64 HG1 GLU 64 1.834 -16.011 -2.272 967 H ARG 65 HN ARG 65 2.633 -11.944 -1.528 968 HA ARG 65 HA ARG 65 2.486 -12.266 -4.357 969 HB2 ARG 65 HB2 ARG 65 2.262 -9.938 -2.540 970 HB3 ARG 65 HB1 ARG 65 1.999 -9.773 -4.288 971 HG2 ARG 65 HG2 ARG 65 0.147 -11.452 -3.996 972 HG3 ARG 65 HG1 ARG 65 0.405 -11.334 -2.253 973 HD2 ARG 65 HD2 ARG 65 -0.032 -8.910 -2.396 974 HD3 ARG 65 HD1 ARG 65 -0.357 -9.092 -4.119 975 HE ARG 65 HE ARG 65 -1.937 -10.728 -2.321 976 HH11 ARG 65 HH11 ARG 65 -1.793 -7.813 -4.306 977 HH12 ARG 65 HH12 ARG 65 -3.477 -7.535 -4.269 978 HH21 ARG 65 HH21 ARG 65 -4.198 -10.404 -2.288 979 HH22 ARG 65 HH22 ARG 65 -4.943 -9.118 -3.121 980 H LEU 66 HN LEU 66 4.916 -11.241 -2.159 981 HA LEU 66 HA LEU 66 6.306 -9.484 -3.874 982 HB2 LEU 66 HB2 LEU 66 6.332 -9.602 -1.353 983 HB3 LEU 66 HB1 LEU 66 7.406 -10.953 -1.526 984 HG LEU 66 HG LEU 66 9.106 -9.586 -2.568 985 HD11 LEU 66 HD11 LEU 66 7.689 -8.021 -3.777 986 HD12 LEU 66 HD12 LEU 66 8.780 -7.124 -2.718 987 HD13 LEU 66 HD13 LEU 66 7.091 -7.362 -2.260 988 HD21 LEU 66 HD21 LEU 66 9.619 -8.162 -0.645 989 HD22 LEU 66 HD22 LEU 66 9.031 -9.751 -0.140 990 HD23 LEU 66 HD23 LEU 66 7.960 -8.355 -0.073 991 H ARG 67 HN ARG 67 6.339 -12.935 -3.535 992 HA ARG 67 HA ARG 67 8.977 -13.388 -4.487 993 HB2 ARG 67 HB2 ARG 67 8.263 -15.719 -4.956 994 HB3 ARG 67 HB1 ARG 67 7.846 -15.198 -3.334 995 HG2 ARG 67 HG2 ARG 67 5.548 -14.857 -4.005 996 HG3 ARG 67 HG1 ARG 67 5.955 -15.271 -5.668 997 HD2 ARG 67 HD2 ARG 67 6.316 -17.156 -3.342 998 HD3 ARG 67 HD1 ARG 67 4.859 -17.095 -4.336 999 HE ARG 67 HE ARG 67 7.287 -17.431 -5.830 1000 HH11 ARG 67 HH11 ARG 67 4.712 -19.128 -4.109 1001 HH12 ARG 67 HH12 ARG 67 4.853 -20.567 -4.997 1002 HH21 ARG 67 HH21 ARG 67 7.504 -19.393 -7.056 1003 HH22 ARG 67 HH22 ARG 67 6.500 -20.724 -6.721 1004 H ASN 68 HN ASN 68 5.962 -12.778 -6.138 1005 HA ASN 68 HA ASN 68 7.287 -12.242 -8.565 1006 HB2 ASN 68 HB2 ASN 68 7.154 -14.772 -8.567 1007 HB3 ASN 68 HB1 ASN 68 5.402 -14.606 -8.535 1008 HD21 ASN 68 HD21 ASN 68 8.285 -14.152 -10.377 1009 HD22 ASN 68 HD22 ASN 68 7.504 -13.966 -11.893 1010 HA PRO 69 HA PRO 69 3.283 -10.186 -7.693 1011 HB2 PRO 69 HB2 PRO 69 4.425 -7.648 -8.029 1012 HB3 PRO 69 HB1 PRO 69 4.042 -8.444 -6.499 1013 HG2 PRO 69 HG2 PRO 69 6.619 -7.836 -7.448 1014 HG3 PRO 69 HG1 PRO 69 6.235 -8.935 -6.119 1015 HD2 PRO 69 HD2 PRO 69 6.924 -9.547 -8.951 1016 HD3 PRO 69 HD1 PRO 69 7.252 -10.475 -7.473 1017 H LYS 70 HN LYS 70 5.528 -8.747 -10.045 1018 HA LYS 70 HA LYS 70 5.327 -7.857 -12.059 1019 HB2 LYS 70 HB2 LYS 70 2.728 -9.389 -12.167 1020 HB3 LYS 70 HB1 LYS 70 3.077 -8.194 -13.401 1021 HG2 LYS 70 HG2 LYS 70 3.639 -10.447 -14.151 1022 HG3 LYS 70 HG1 LYS 70 5.071 -9.431 -14.055 1023 HD2 LYS 70 HD2 LYS 70 5.646 -10.452 -11.909 1024 HD3 LYS 70 HD1 LYS 70 4.204 -11.461 -12.003 1025 HE2 LYS 70 HE2 LYS 70 6.233 -12.649 -12.696 1026 HE3 LYS 70 HE1 LYS 70 5.032 -12.544 -13.985 1027 HZ1 LYS 70 HZ1 LYS 70 7.379 -12.093 -14.655 1028 HZ2 LYS 70 HZ2 LYS 70 7.344 -10.670 -13.782 1029 HZ3 LYS 70 HZ3 LYS 70 6.286 -10.914 -15.079 1030 HA PRO 71 HA PRO 71 3.260 -4.321 -10.234 1031 HB2 PRO 71 HB2 PRO 71 5.360 -2.653 -10.346 1032 HB3 PRO 71 HB1 PRO 71 5.194 -3.855 -9.064 1033 HG2 PRO 71 HG2 PRO 71 6.911 -3.894 -11.491 1034 HG3 PRO 71 HG1 PRO 71 7.254 -4.502 -9.865 1035 HD2 PRO 71 HD2 PRO 71 6.464 -6.065 -12.024 1036 HD3 PRO 71 HD1 PRO 71 6.329 -6.526 -10.318 1037 H VAL 72 HN VAL 72 2.193 -2.855 -11.296 1038 HA VAL 72 HA VAL 72 2.929 -2.199 -14.048 1039 HB VAL 72 HB VAL 72 0.272 -1.786 -12.623 1040 HG11 VAL 72 HG11 VAL 72 0.638 -0.201 -14.439 1041 HG12 VAL 72 HG12 VAL 72 -0.629 -1.353 -14.864 1042 HG13 VAL 72 HG13 VAL 72 0.986 -1.528 -15.545 1043 HG21 VAL 72 HG21 VAL 72 1.045 -3.922 -14.611 1044 HG22 VAL 72 HG22 VAL 72 -0.580 -3.649 -13.980 1045 HG23 VAL 72 HG23 VAL 72 0.712 -4.170 -12.897 1046 H ARG 73 HN ARG 73 3.922 -0.341 -14.210 1047 HA ARG 73 HA ARG 73 4.109 1.534 -12.058 1048 HB2 ARG 73 HB2 ARG 73 5.866 0.957 -13.864 1049 HB3 ARG 73 HB1 ARG 73 4.935 1.979 -14.933 1050 HG2 ARG 73 HG2 ARG 73 6.296 2.880 -12.385 1051 HG3 ARG 73 HG1 ARG 73 6.917 3.114 -14.012 1052 HD2 ARG 73 HD2 ARG 73 4.441 4.310 -12.789 1053 HD3 ARG 73 HD1 ARG 73 5.917 5.163 -13.208 1054 HE ARG 73 HE ARG 73 4.733 3.852 -15.456 1055 HH11 ARG 73 HH11 ARG 73 4.682 6.882 -13.585 1056 HH12 ARG 73 HH12 ARG 73 3.726 7.679 -14.726 1057 HH21 ARG 73 HH21 ARG 73 3.380 5.030 -16.976 1058 HH22 ARG 73 HH22 ARG 73 2.960 6.640 -16.633 1059 H VAL 74 HN VAL 74 2.699 3.104 -11.646 1060 HA VAL 74 HA VAL 74 1.126 4.251 -13.817 1061 HB VAL 74 HB VAL 74 -0.931 4.213 -12.364 1062 HG11 VAL 74 HG11 VAL 74 0.156 1.505 -13.109 1063 HG12 VAL 74 HG12 VAL 74 -0.759 2.597 -14.155 1064 HG13 VAL 74 HG13 VAL 74 -1.534 1.862 -12.756 1065 HG21 VAL 74 HG21 VAL 74 -1.037 2.601 -10.528 1066 HG22 VAL 74 HG22 VAL 74 0.131 3.888 -10.221 1067 HG23 VAL 74 HG23 VAL 74 0.688 2.286 -10.718 1068 H THR 75 HN THR 75 -0.341 5.980 -12.645 1069 HA THR 75 HA THR 75 1.153 7.554 -10.699 1070 HB THR 75 HB THR 75 0.262 9.588 -11.947 1071 HG1 THR 75 HG1 THR 75 -0.070 7.699 -14.060 1072 HG21 THR 75 HG21 THR 75 2.281 7.894 -13.398 1073 HG22 THR 75 HG22 THR 75 2.611 9.019 -12.076 1074 HG23 THR 75 HG23 THR 75 2.034 9.623 -13.630 1075 H LEU 76 HN LEU 76 -0.444 9.238 -9.765 1076 HA LEU 76 HA LEU 76 -2.882 7.872 -9.036 1077 HB2 LEU 76 HB2 LEU 76 -1.851 10.633 -8.396 1078 HB3 LEU 76 HB1 LEU 76 -3.287 9.919 -7.678 1079 HG LEU 76 HG LEU 76 -0.518 8.813 -7.429 1080 HD11 LEU 76 HD11 LEU 76 -0.685 10.991 -6.329 1081 HD12 LEU 76 HD12 LEU 76 -0.599 9.698 -5.131 1082 HD13 LEU 76 HD13 LEU 76 -2.146 10.466 -5.489 1083 HD21 LEU 76 HD21 LEU 76 -2.241 7.147 -7.162 1084 HD22 LEU 76 HD22 LEU 76 -3.076 8.147 -5.965 1085 HD23 LEU 76 HD23 LEU 76 -1.472 7.487 -5.623 1086 H ASP 77 HN ASP 77 -1.811 10.302 -11.141 1087 HA ASP 77 HA ASP 77 -4.125 11.641 -11.892 1088 HB2 ASP 77 HB2 ASP 77 -1.970 12.443 -12.536 1089 HB3 ASP 77 HB1 ASP 77 -1.608 10.955 -13.392 1090 H GLU 78 HN GLU 78 -2.847 8.541 -12.960 1091 HA GLU 78 HA GLU 78 -4.963 8.337 -14.944 1092 HB2 GLU 78 HB2 GLU 78 -3.798 6.356 -15.748 1093 HB3 GLU 78 HB1 GLU 78 -2.723 7.742 -15.654 1094 HG2 GLU 78 HG2 GLU 78 -1.923 6.884 -13.473 1095 HG3 GLU 78 HG1 GLU 78 -2.857 5.422 -13.746 1096 H LEU 79 HN LEU 79 -4.610 7.503 -11.693 1097 HA LEU 79 HA LEU 79 -6.005 4.989 -11.839 1098 HB2 LEU 79 HB2 LEU 79 -5.441 6.760 -9.468 1099 HB3 LEU 79 HB1 LEU 79 -6.195 5.186 -9.376 1100 HG LEU 79 HG LEU 79 -3.360 5.806 -10.164 1101 HD11 LEU 79 HD11 LEU 79 -4.546 4.309 -7.845 1102 HD12 LEU 79 HD12 LEU 79 -3.848 5.924 -7.789 1103 HD13 LEU 79 HD13 LEU 79 -2.828 4.532 -8.167 1104 HD21 LEU 79 HD21 LEU 79 -4.793 3.146 -10.116 1105 HD22 LEU 79 HD22 LEU 79 -3.056 3.366 -10.301 1106 HD23 LEU 79 HD23 LEU 79 -4.152 3.965 -11.544 Start of MODEL 16 1 H MET 1 H MET 1 13.092 12.757 -1.793 2 HA MET 1 HA MET 1 11.121 11.476 -2.230 3 HB2 MET 1 HB2 MET 1 9.433 13.240 -1.693 4 HB3 MET 1 HB1 MET 1 10.870 13.356 -0.704 5 HG2 MET 1 HG2 MET 1 10.297 15.551 -1.247 6 HG3 MET 1 HG1 MET 1 11.645 15.157 -2.304 7 HE1 MET 1 HE1 MET 1 9.721 17.473 -4.629 8 HE2 MET 1 HE2 MET 1 11.281 16.952 -3.966 9 HE3 MET 1 HE3 MET 1 10.051 17.622 -2.891 10 H ALA 2 HN ALA 2 8.733 12.332 -3.325 11 HA ALA 2 HA ALA 2 7.505 12.383 -5.169 12 HB1 ALA 2 HB1 ALA 2 9.997 13.207 -6.626 13 HB2 ALA 2 HB2 ALA 2 8.830 14.309 -5.893 14 HB3 ALA 2 HB3 ALA 2 8.350 13.300 -7.277 15 H TYR 3 HN TYR 3 6.972 10.351 -5.251 16 HA TYR 3 HA TYR 3 8.849 8.516 -6.507 17 HB2 TYR 3 HB2 TYR 3 6.763 7.995 -4.396 18 HB3 TYR 3 HB1 TYR 3 7.663 6.731 -5.220 19 HD1 TYR 3 HD2 TYR 3 8.050 9.731 -3.091 20 HD2 TYR 3 HD1 TYR 3 9.789 6.098 -4.413 21 HE1 TYR 3 HE2 TYR 3 9.820 10.031 -1.481 22 HE2 TYR 3 HE1 TYR 3 11.599 6.362 -2.771 23 HH TYR 3 HH TYR 3 12.685 8.316 -1.540 24 H PHE 4 HN PHE 4 8.120 7.036 -7.889 25 HA PHE 4 HA PHE 4 5.680 7.716 -9.303 26 HB2 PHE 4 HB2 PHE 4 7.605 5.446 -9.913 27 HB3 PHE 4 HB1 PHE 4 6.426 6.164 -11.006 28 HD1 PHE 4 HD1 PHE 4 6.757 8.757 -11.401 29 HD2 PHE 4 HD2 PHE 4 9.783 6.080 -10.075 30 HE1 PHE 4 HE1 PHE 4 8.485 10.331 -12.162 31 HE2 PHE 4 HE2 PHE 4 11.512 7.632 -10.827 32 HZ PHE 4 HZ PHE 4 10.865 9.778 -11.873 33 H LEU 5 HN LEU 5 4.378 5.472 -9.993 34 HA LEU 5 HA LEU 5 3.943 4.224 -7.394 35 HB2 LEU 5 HB2 LEU 5 2.301 5.924 -7.824 36 HB3 LEU 5 HB1 LEU 5 1.964 5.255 -9.400 37 HG LEU 5 HG LEU 5 0.994 3.278 -8.344 38 HD11 LEU 5 HD11 LEU 5 0.513 3.317 -5.921 39 HD12 LEU 5 HD12 LEU 5 1.444 4.808 -5.764 40 HD13 LEU 5 HD13 LEU 5 2.250 3.308 -6.224 41 HD21 LEU 5 HD21 LEU 5 -1.023 4.412 -7.527 42 HD22 LEU 5 HD22 LEU 5 -0.397 5.153 -8.995 43 HD23 LEU 5 HD23 LEU 5 -0.118 5.915 -7.436 44 H ASP 6 HN ASP 6 3.716 2.094 -7.377 45 HA ASP 6 HA ASP 6 3.261 0.672 -9.901 46 HB2 ASP 6 HB2 ASP 6 5.398 0.057 -7.863 47 HB3 ASP 6 HB1 ASP 6 4.654 -1.249 -8.760 48 H PHE 7 HN PHE 7 2.054 -1.129 -9.732 49 HA PHE 7 HA PHE 7 0.962 -1.747 -7.087 50 HB2 PHE 7 HB2 PHE 7 -0.511 -0.847 -9.464 51 HB3 PHE 7 HB1 PHE 7 -1.186 -2.261 -8.676 52 HD1 PHE 7 HD2 PHE 7 -0.440 1.316 -8.318 53 HD2 PHE 7 HD1 PHE 7 -2.179 -2.112 -6.521 54 HE1 PHE 7 HE2 PHE 7 -1.585 2.751 -6.669 55 HE2 PHE 7 HE1 PHE 7 -3.320 -0.690 -4.885 56 HZ PHE 7 HZ PHE 7 -3.025 1.749 -4.959 57 H ASP 8 HN ASP 8 0.985 -3.767 -6.624 58 HA ASP 8 HA ASP 8 1.754 -5.898 -8.254 59 HB2 ASP 8 HB2 ASP 8 1.894 -6.361 -5.969 60 HB3 ASP 8 HB1 ASP 8 0.354 -5.595 -5.618 61 H GLU 9 HN GLU 9 0.630 -7.277 -9.547 62 HA GLU 9 HA GLU 9 -1.550 -6.460 -10.960 63 HB2 GLU 9 HB2 GLU 9 0.261 -8.481 -11.065 64 HB3 GLU 9 HB1 GLU 9 -1.225 -9.326 -10.632 65 HG2 GLU 9 HG2 GLU 9 -1.113 -7.473 -12.951 66 HG3 GLU 9 HG1 GLU 9 -0.609 -9.151 -13.102 67 H ARG 10 HN ARG 10 -1.503 -8.394 -7.982 68 HA ARG 10 HA ARG 10 -4.311 -9.012 -8.161 69 HB2 ARG 10 HB2 ARG 10 -2.415 -9.247 -5.817 70 HB3 ARG 10 HB1 ARG 10 -4.056 -9.857 -5.841 71 HG2 ARG 10 HG2 ARG 10 -1.817 -10.810 -7.623 72 HG3 ARG 10 HG1 ARG 10 -2.357 -11.610 -6.149 73 HD2 ARG 10 HD2 ARG 10 -3.375 -12.779 -7.925 74 HD3 ARG 10 HD1 ARG 10 -4.641 -11.772 -7.238 75 HE ARG 10 HE ARG 10 -3.163 -10.825 -9.572 76 HH11 ARG 10 HH11 ARG 10 -6.271 -11.746 -8.148 77 HH12 ARG 10 HH12 ARG 10 -7.135 -11.598 -9.612 78 HH21 ARG 10 HH21 ARG 10 -4.366 -10.583 -11.558 79 HH22 ARG 10 HH22 ARG 10 -6.045 -10.932 -11.576 80 H ALA 11 HN ALA 11 -2.281 -6.744 -6.426 81 HA ALA 11 HA ALA 11 -4.170 -5.453 -4.836 82 HB1 ALA 11 HB1 ALA 11 -1.760 -5.100 -4.599 83 HB2 ALA 11 HB2 ALA 11 -2.619 -3.565 -4.741 84 HB3 ALA 11 HB3 ALA 11 -1.738 -4.218 -6.125 85 H LEU 12 HN LEU 12 -3.514 -5.058 -8.201 86 HA LEU 12 HA LEU 12 -4.972 -2.744 -8.831 87 HB2 LEU 12 HB2 LEU 12 -4.802 -5.327 -10.370 88 HB3 LEU 12 HB1 LEU 12 -5.359 -3.805 -11.041 89 HG LEU 12 HG LEU 12 -2.551 -4.440 -10.098 90 HD11 LEU 12 HD11 LEU 12 -3.687 -4.140 -12.872 91 HD12 LEU 12 HD12 LEU 12 -3.199 -5.654 -12.121 92 HD13 LEU 12 HD13 LEU 12 -1.994 -4.412 -12.468 93 HD21 LEU 12 HD21 LEU 12 -3.097 -2.065 -9.866 94 HD22 LEU 12 HD22 LEU 12 -3.631 -2.025 -11.547 95 HD23 LEU 12 HD23 LEU 12 -1.938 -2.339 -11.166 96 H LYS 13 HN LYS 13 -6.027 -6.063 -8.441 97 HA LYS 13 HA LYS 13 -8.758 -5.576 -9.210 98 HB2 LYS 13 HB2 LYS 13 -7.838 -7.988 -7.677 99 HB3 LYS 13 HB1 LYS 13 -9.076 -7.884 -8.915 100 HG2 LYS 13 HG2 LYS 13 -6.076 -7.786 -9.356 101 HG3 LYS 13 HG1 LYS 13 -7.167 -9.105 -9.728 102 HD2 LYS 13 HD2 LYS 13 -8.178 -7.900 -11.508 103 HD3 LYS 13 HD1 LYS 13 -7.428 -6.379 -10.993 104 HE2 LYS 13 HE2 LYS 13 -5.255 -7.230 -11.458 105 HE3 LYS 13 HE1 LYS 13 -5.893 -8.819 -11.866 106 HZ1 LYS 13 HZ1 LYS 13 -5.297 -7.579 -13.781 107 HZ2 LYS 13 HZ2 LYS 13 -6.305 -6.291 -13.398 108 HZ3 LYS 13 HZ3 LYS 13 -6.963 -7.783 -13.818 109 H GLU 14 HN GLU 14 -6.867 -5.654 -6.356 110 HA GLU 14 HA GLU 14 -8.763 -6.019 -4.367 111 HB2 GLU 14 HB2 GLU 14 -6.199 -4.481 -4.372 112 HB3 GLU 14 HB1 GLU 14 -7.157 -4.802 -2.934 113 HG2 GLU 14 HG2 GLU 14 -6.031 -6.966 -4.714 114 HG3 GLU 14 HG1 GLU 14 -5.177 -6.316 -3.321 115 H TRP 15 HN TRP 15 -7.703 -2.956 -5.940 116 HA TRP 15 HA TRP 15 -9.368 -1.496 -4.102 117 HB2 TRP 15 HB2 TRP 15 -8.759 0.559 -5.164 118 HB3 TRP 15 HB1 TRP 15 -7.314 -0.424 -5.208 119 HD1 TRP 15 HD1 TRP 15 -10.239 0.455 -7.689 120 HE1 TRP 15 HE1 TRP 15 -9.253 0.794 -10.006 121 HE3 TRP 15 HE3 TRP 15 -5.344 -0.595 -6.635 122 HZ2 TRP 15 HZ2 TRP 15 -6.742 0.663 -11.252 123 HZ3 TRP 15 HZ3 TRP 15 -3.717 -0.445 -8.467 124 HH2 TRP 15 HH2 TRP 15 -4.400 0.174 -10.721 125 H ARG 16 HN ARG 16 -9.678 -2.972 -7.082 126 HA ARG 16 HA ARG 16 -11.957 -1.571 -7.985 127 HB2 ARG 16 HB2 ARG 16 -10.921 -4.286 -8.799 128 HB3 ARG 16 HB1 ARG 16 -12.145 -3.365 -9.671 129 HG2 ARG 16 HG2 ARG 16 -10.483 -1.534 -9.972 130 HG3 ARG 16 HG1 ARG 16 -9.341 -2.516 -9.124 131 HD2 ARG 16 HD2 ARG 16 -9.079 -2.583 -11.557 132 HD3 ARG 16 HD1 ARG 16 -9.241 -4.171 -10.810 133 HE ARG 16 HE ARG 16 -11.746 -3.176 -11.729 134 HH11 ARG 16 HH11 ARG 16 -8.732 -4.556 -13.026 135 HH12 ARG 16 HH12 ARG 16 -9.511 -5.336 -14.319 136 HH21 ARG 16 HH21 ARG 16 -12.765 -4.270 -13.556 137 HH22 ARG 16 HH22 ARG 16 -11.787 -5.172 -14.624 138 H LYS 17 HN LYS 17 -11.540 -4.274 -5.818 139 HA LYS 17 HA LYS 17 -14.338 -4.959 -6.013 140 HB2 LYS 17 HB2 LYS 17 -13.821 -6.803 -4.434 141 HB3 LYS 17 HB1 LYS 17 -12.838 -6.822 -5.877 142 HG2 LYS 17 HG2 LYS 17 -11.345 -7.384 -4.163 143 HG3 LYS 17 HG1 LYS 17 -11.026 -5.693 -4.483 144 HD2 LYS 17 HD2 LYS 17 -11.028 -6.060 -2.084 145 HD3 LYS 17 HD1 LYS 17 -12.426 -5.080 -2.521 146 HE2 LYS 17 HE2 LYS 17 -13.861 -7.036 -2.407 147 HE3 LYS 17 HE1 LYS 17 -12.481 -8.068 -2.046 148 HZ1 LYS 17 HZ1 LYS 17 -13.607 -5.914 -0.307 149 HZ2 LYS 17 HZ2 LYS 17 -12.189 -6.740 0.015 150 HZ3 LYS 17 HZ3 LYS 17 -13.633 -7.570 -0.026 151 H LEU 18 HN LEU 18 -12.695 -2.652 -4.354 152 HA LEU 18 HA LEU 18 -14.606 -2.782 -2.153 153 HB2 LEU 18 HB2 LEU 18 -13.025 -1.287 -0.876 154 HB3 LEU 18 HB1 LEU 18 -12.467 -2.910 -1.179 155 HG LEU 18 HG LEU 18 -11.151 -1.900 -3.132 156 HD11 LEU 18 HD11 LEU 18 -12.209 0.261 -3.245 157 HD12 LEU 18 HD12 LEU 18 -10.487 0.426 -2.895 158 HD13 LEU 18 HD13 LEU 18 -11.674 0.632 -1.607 159 HD21 LEU 18 HD21 LEU 18 -9.314 -1.259 -1.678 160 HD22 LEU 18 HD22 LEU 18 -10.091 -2.755 -1.164 161 HD23 LEU 18 HD23 LEU 18 -10.407 -1.246 -0.290 162 H GLY 19 HN GLY 19 -14.793 -0.310 -1.160 163 HA2 GLY 19 HA2 GLY 19 -16.632 0.839 -2.930 164 HA3 GLY 19 HA1 GLY 19 -16.072 1.538 -1.424 165 H SER 20 HN SER 20 -16.714 3.141 -3.513 166 HA SER 20 HA SER 20 -14.516 3.777 -5.198 167 HB2 SER 20 HB2 SER 20 -15.988 5.798 -5.708 168 HB3 SER 20 HB1 SER 20 -16.701 4.217 -6.037 169 HG SER 20 HG SER 20 -18.220 4.729 -4.690 170 H THR 21 HN THR 21 -16.060 5.504 -2.476 171 HA THR 21 HA THR 21 -14.158 7.551 -2.262 172 HB THR 21 HB THR 21 -15.889 6.386 -0.065 173 HG1 THR 21 HG1 THR 21 -16.696 8.632 -1.472 174 HG21 THR 21 HG21 THR 21 -15.837 8.680 0.844 175 HG22 THR 21 HG22 THR 21 -14.758 9.169 -0.461 176 HG23 THR 21 HG23 THR 21 -14.215 7.998 0.738 177 H VAL 22 HN VAL 22 -14.305 4.307 -1.048 178 HA VAL 22 HA VAL 22 -12.253 4.481 0.868 179 HB VAL 22 HB VAL 22 -13.138 2.058 -0.748 180 HG11 VAL 22 HG11 VAL 22 -11.481 2.183 1.765 181 HG12 VAL 22 HG12 VAL 22 -10.879 1.757 0.166 182 HG13 VAL 22 HG13 VAL 22 -12.050 0.712 0.977 183 HG21 VAL 22 HG21 VAL 22 -14.375 1.457 1.281 184 HG22 VAL 22 HG22 VAL 22 -14.911 3.007 0.629 185 HG23 VAL 22 HG23 VAL 22 -13.854 2.961 2.038 186 H ARG 23 HN ARG 23 -12.121 3.725 -2.623 187 HA ARG 23 HA ARG 23 -9.298 3.273 -2.510 188 HB2 ARG 23 HB2 ARG 23 -9.298 3.002 -4.871 189 HB3 ARG 23 HB1 ARG 23 -10.834 2.326 -4.342 190 HG2 ARG 23 HG2 ARG 23 -11.984 4.313 -5.076 191 HG3 ARG 23 HG1 ARG 23 -10.454 5.088 -5.470 192 HD2 ARG 23 HD2 ARG 23 -10.125 3.054 -7.078 193 HD3 ARG 23 HD1 ARG 23 -11.844 2.834 -6.839 194 HE ARG 23 HE ARG 23 -12.131 5.166 -7.528 195 HH11 ARG 23 HH11 ARG 23 -9.471 3.189 -8.840 196 HH12 ARG 23 HH12 ARG 23 -9.197 4.279 -10.141 197 HH21 ARG 23 HH21 ARG 23 -11.672 6.582 -9.385 198 HH22 ARG 23 HH22 ARG 23 -10.378 6.151 -10.426 199 H GLU 24 HN GLU 24 -11.331 6.036 -3.107 200 HA GLU 24 HA GLU 24 -9.378 7.771 -4.159 201 HB2 GLU 24 HB2 GLU 24 -11.935 8.318 -2.667 202 HB3 GLU 24 HB1 GLU 24 -10.934 9.587 -3.357 203 HG2 GLU 24 HG2 GLU 24 -12.122 7.322 -4.931 204 HG3 GLU 24 HG1 GLU 24 -12.860 8.922 -4.786 205 H GLN 25 HN GLN 25 -10.422 7.146 -0.856 206 HA GLN 25 HA GLN 25 -8.795 9.052 0.409 207 HB2 GLN 25 HB2 GLN 25 -9.796 6.388 1.410 208 HB3 GLN 25 HB1 GLN 25 -9.002 7.587 2.419 209 HG2 GLN 25 HG2 GLN 25 -10.799 9.153 2.007 210 HG3 GLN 25 HG1 GLN 25 -11.564 8.007 0.913 211 HE21 GLN 25 HE21 GLN 25 -12.599 6.260 1.717 212 HE22 GLN 25 HE22 GLN 25 -13.039 6.078 3.376 213 H LEU 26 HN LEU 26 -8.198 5.752 -0.580 214 HA LEU 26 HA LEU 26 -5.637 5.467 0.556 215 HB2 LEU 26 HB2 LEU 26 -6.845 4.130 -1.861 216 HB3 LEU 26 HB1 LEU 26 -5.353 3.632 -1.089 217 HG LEU 26 HG LEU 26 -8.078 3.591 0.206 218 HD11 LEU 26 HD11 LEU 26 -7.900 1.937 -1.559 219 HD12 LEU 26 HD12 LEU 26 -7.893 1.164 0.025 220 HD13 LEU 26 HD13 LEU 26 -6.387 1.349 -0.872 221 HD21 LEU 26 HD21 LEU 26 -6.333 3.921 1.852 222 HD22 LEU 26 HD22 LEU 26 -5.388 2.618 1.157 223 HD23 LEU 26 HD23 LEU 26 -6.922 2.262 1.956 224 H LYS 27 HN LYS 27 -6.731 6.673 -2.561 225 HA LYS 27 HA LYS 27 -4.213 7.006 -3.777 226 HB2 LYS 27 HB2 LYS 27 -6.875 8.359 -4.196 227 HB3 LYS 27 HB1 LYS 27 -5.460 8.731 -5.166 228 HG2 LYS 27 HG2 LYS 27 -5.408 6.568 -6.106 229 HG3 LYS 27 HG1 LYS 27 -6.544 5.941 -4.911 230 HD2 LYS 27 HD2 LYS 27 -7.541 6.325 -7.165 231 HD3 LYS 27 HD1 LYS 27 -8.350 7.199 -5.872 232 HE2 LYS 27 HE2 LYS 27 -7.131 9.246 -6.523 233 HE3 LYS 27 HE1 LYS 27 -6.340 8.349 -7.819 234 HZ1 LYS 27 HZ1 LYS 27 -8.306 9.667 -8.519 235 HZ2 LYS 27 HZ2 LYS 27 -9.286 8.603 -7.599 236 HZ3 LYS 27 HZ3 LYS 27 -8.373 8.030 -8.900 237 H LYS 28 HN LYS 28 -6.165 9.058 -1.715 238 HA LYS 28 HA LYS 28 -4.500 11.331 -1.987 239 HB2 LYS 28 HB2 LYS 28 -6.455 10.690 0.216 240 HB3 LYS 28 HB1 LYS 28 -5.705 12.254 -0.056 241 HG2 LYS 28 HG2 LYS 28 -7.668 10.825 -1.839 242 HG3 LYS 28 HG1 LYS 28 -7.931 12.313 -0.937 243 HD2 LYS 28 HD2 LYS 28 -5.973 11.961 -3.213 244 HD3 LYS 28 HD1 LYS 28 -7.560 12.693 -3.341 245 HE2 LYS 28 HE2 LYS 28 -5.356 13.753 -1.565 246 HE3 LYS 28 HE1 LYS 28 -5.714 14.361 -3.178 247 HZ1 LYS 28 HZ1 LYS 28 -7.584 14.396 -0.863 248 HZ2 LYS 28 HZ2 LYS 28 -7.929 14.975 -2.406 249 HZ3 LYS 28 HZ3 LYS 28 -6.750 15.719 -1.475 250 H LYS 29 HN LYS 29 -4.586 8.698 0.441 251 HA LYS 29 HA LYS 29 -2.497 9.927 1.807 252 HB2 LYS 29 HB2 LYS 29 -3.495 7.109 1.931 253 HB3 LYS 29 HB1 LYS 29 -2.445 7.898 3.115 254 HG2 LYS 29 HG2 LYS 29 -4.201 9.638 3.396 255 HG3 LYS 29 HG1 LYS 29 -5.265 8.641 2.406 256 HD2 LYS 29 HD2 LYS 29 -5.774 8.202 4.626 257 HD3 LYS 29 HD1 LYS 29 -4.852 6.838 3.960 258 HE2 LYS 29 HE2 LYS 29 -4.111 7.525 6.298 259 HE3 LYS 29 HE1 LYS 29 -2.831 7.521 5.093 260 HZ1 LYS 29 HZ1 LYS 29 -4.321 9.931 6.011 261 HZ2 LYS 29 HZ2 LYS 29 -3.031 9.956 4.921 262 HZ3 LYS 29 HZ3 LYS 29 -2.786 9.505 6.513 263 H LEU 30 HN LEU 30 -2.559 8.061 -1.020 264 HA LEU 30 HA LEU 30 0.156 7.209 -0.765 265 HB2 LEU 30 HB2 LEU 30 -1.655 7.355 -3.165 266 HB3 LEU 30 HB1 LEU 30 0.002 6.801 -3.259 267 HG LEU 30 HG LEU 30 -2.202 5.488 -1.665 268 HD11 LEU 30 HD11 LEU 30 -2.005 3.692 -3.317 269 HD12 LEU 30 HD12 LEU 30 -0.840 4.657 -4.220 270 HD13 LEU 30 HD13 LEU 30 -2.506 5.210 -4.060 271 HD21 LEU 30 HD21 LEU 30 -0.561 3.674 -1.367 272 HD22 LEU 30 HD22 LEU 30 -0.053 5.166 -0.588 273 HD23 LEU 30 HD23 LEU 30 0.671 4.683 -2.124 274 H VAL 31 HN VAL 31 -1.484 9.969 -2.182 275 HA VAL 31 HA VAL 31 0.884 10.936 -3.390 276 HB VAL 31 HB VAL 31 -1.440 11.616 -4.112 277 HG11 VAL 31 HG11 VAL 31 -2.522 13.523 -3.075 278 HG12 VAL 31 HG12 VAL 31 -1.329 13.486 -1.778 279 HG13 VAL 31 HG13 VAL 31 -2.437 12.131 -1.994 280 HG21 VAL 31 HG21 VAL 31 -0.822 13.921 -4.742 281 HG22 VAL 31 HG22 VAL 31 0.470 12.752 -5.018 282 HG23 VAL 31 HG23 VAL 31 0.540 13.831 -3.627 283 H GLU 32 HN GLU 32 -0.326 11.146 -0.154 284 HA GLU 32 HA GLU 32 1.367 13.351 0.531 285 HB2 GLU 32 HB2 GLU 32 0.719 12.998 2.847 286 HB3 GLU 32 HB1 GLU 32 -0.711 12.885 1.838 287 HG2 GLU 32 HG2 GLU 32 -0.578 10.433 1.983 288 HG3 GLU 32 HG1 GLU 32 0.828 10.590 3.013 289 H VAL 33 HN VAL 33 1.690 9.852 0.509 290 HA VAL 33 HA VAL 33 4.124 9.929 2.059 291 HB VAL 33 HB VAL 33 4.296 7.594 1.856 292 HG11 VAL 33 HG11 VAL 33 2.075 6.815 2.432 293 HG12 VAL 33 HG12 VAL 33 1.533 8.396 1.781 294 HG13 VAL 33 HG13 VAL 33 2.560 8.356 3.224 295 HG21 VAL 33 HG21 VAL 33 2.314 7.654 -0.415 296 HG22 VAL 33 HG22 VAL 33 3.003 6.207 0.337 297 HG23 VAL 33 HG23 VAL 33 4.048 7.327 -0.542 298 H LEU 34 HN LEU 34 3.305 10.434 -1.055 299 HA LEU 34 HA LEU 34 5.708 9.548 -2.178 300 HB2 LEU 34 HB2 LEU 34 4.084 11.846 -3.347 301 HB3 LEU 34 HB1 LEU 34 5.330 10.929 -4.179 302 HG LEU 34 HG LEU 34 2.679 9.830 -3.270 303 HD11 LEU 34 HD11 LEU 34 3.729 10.489 -6.006 304 HD12 LEU 34 HD12 LEU 34 2.476 11.386 -5.138 305 HD13 LEU 34 HD13 LEU 34 2.181 9.723 -5.657 306 HD21 LEU 34 HD21 LEU 34 4.468 8.156 -3.248 307 HD22 LEU 34 HD22 LEU 34 4.853 8.561 -4.927 308 HD23 LEU 34 HD23 LEU 34 3.292 7.850 -4.524 309 H GLU 35 HN GLU 35 4.950 12.301 -0.328 310 HA GLU 35 HA GLU 35 7.407 13.699 -0.896 311 HB2 GLU 35 HB2 GLU 35 5.198 14.195 1.081 312 HB3 GLU 35 HB1 GLU 35 6.562 15.259 0.810 313 HG2 GLU 35 HG2 GLU 35 5.823 15.731 -1.425 314 HG3 GLU 35 HG1 GLU 35 4.547 14.519 -1.293 315 H SER 36 HN SER 36 5.960 11.600 1.527 316 HA SER 36 HA SER 36 8.528 11.119 2.736 317 HB2 SER 36 HB2 SER 36 6.232 12.261 4.372 318 HB3 SER 36 HB1 SER 36 7.751 11.660 5.037 319 HG SER 36 HG SER 36 8.238 13.375 3.067 320 HA PRO 37 HA PRO 37 5.898 7.372 2.751 321 HB2 PRO 37 HB2 PRO 37 7.477 5.777 1.407 322 HB3 PRO 37 HB1 PRO 37 6.672 7.125 0.590 323 HG2 PRO 37 HG2 PRO 37 9.520 6.887 1.475 324 HG3 PRO 37 HG1 PRO 37 8.861 7.645 0.017 325 HD2 PRO 37 HD2 PRO 37 9.593 8.968 2.398 326 HD3 PRO 37 HD1 PRO 37 8.634 9.639 1.068 327 H ARG 38 HN ARG 38 8.719 7.999 4.430 328 HA ARG 38 HA ARG 38 9.157 5.217 5.216 329 HB2 ARG 38 HB2 ARG 38 10.637 7.703 6.078 330 HB3 ARG 38 HB1 ARG 38 11.088 6.052 6.449 331 HG2 ARG 38 HG2 ARG 38 11.630 5.586 4.197 332 HG3 ARG 38 HG1 ARG 38 10.888 7.094 3.644 333 HD2 ARG 38 HD2 ARG 38 13.265 6.881 5.466 334 HD3 ARG 38 HD1 ARG 38 13.343 7.240 3.736 335 HE ARG 38 HE ARG 38 11.597 9.060 4.896 336 HH11 ARG 38 HH11 ARG 38 15.041 8.303 5.072 337 HH12 ARG 38 HH12 ARG 38 15.513 9.893 5.470 338 HH21 ARG 38 HH21 ARG 38 12.272 11.288 5.428 339 HH22 ARG 38 HH22 ARG 38 13.939 11.572 5.653 340 H ILE 39 HN ILE 39 7.008 5.192 6.163 341 HA ILE 39 HA ILE 39 6.778 6.752 8.589 342 HB ILE 39 HB ILE 39 4.682 4.906 7.380 343 HG12 ILE 39 HG12 ILE 39 5.032 7.920 7.073 344 HG13 ILE 39 HG11 ILE 39 5.317 6.730 5.817 345 HG21 ILE 39 HG21 ILE 39 4.379 5.400 9.775 346 HG22 ILE 39 HG22 ILE 39 3.133 6.202 8.808 347 HG23 ILE 39 HG23 ILE 39 4.508 7.124 9.429 348 HD11 ILE 39 HD11 ILE 39 2.666 7.318 7.099 349 HD12 ILE 39 HD12 ILE 39 2.972 6.163 5.792 350 HD13 ILE 39 HD13 ILE 39 3.224 7.886 5.523 351 H GLU 40 HN GLU 40 8.324 5.794 9.708 352 HA GLU 40 HA GLU 40 8.814 3.095 10.150 353 HB2 GLU 40 HB2 GLU 40 9.948 4.037 12.331 354 HB3 GLU 40 HB1 GLU 40 10.625 4.323 10.737 355 HG2 GLU 40 HG2 GLU 40 10.669 6.325 12.173 356 HG3 GLU 40 HG1 GLU 40 9.715 6.569 10.711 357 H ALA 41 HN ALA 41 6.509 5.072 11.650 358 HA ALA 41 HA ALA 41 6.084 3.502 13.918 359 HB1 ALA 41 HB1 ALA 41 5.310 5.794 13.801 360 HB2 ALA 41 HB2 ALA 41 3.954 4.719 14.152 361 HB3 ALA 41 HB3 ALA 41 4.171 5.368 12.527 362 H ASN 42 HN ASN 42 4.726 3.435 10.664 363 HA ASN 42 HA ASN 42 2.832 1.344 11.437 364 HB2 ASN 42 HB2 ASN 42 3.012 3.107 9.023 365 HB3 ASN 42 HB1 ASN 42 1.841 1.807 9.199 366 HD21 ASN 42 HD21 ASN 42 1.591 4.671 8.945 367 HD22 ASN 42 HD22 ASN 42 0.622 5.211 10.273 368 H LYS 43 HN LYS 43 5.870 1.248 10.573 369 HA LYS 43 HA LYS 43 5.831 -0.491 8.327 370 HB2 LYS 43 HB2 LYS 43 8.156 -0.954 8.826 371 HB3 LYS 43 HB1 LYS 43 7.853 0.747 9.146 372 HG2 LYS 43 HG2 LYS 43 7.665 0.251 11.534 373 HG3 LYS 43 HG1 LYS 43 8.045 -1.436 11.181 374 HD2 LYS 43 HD2 LYS 43 10.203 -0.749 10.250 375 HD3 LYS 43 HD1 LYS 43 9.824 0.935 10.635 376 HE2 LYS 43 HE2 LYS 43 9.589 0.279 13.010 377 HE3 LYS 43 HE1 LYS 43 10.111 -1.344 12.571 378 HZ1 LYS 43 HZ1 LYS 43 12.202 -0.399 11.803 379 HZ2 LYS 43 HZ2 LYS 43 11.913 -0.028 13.439 380 HZ3 LYS 43 HZ3 LYS 43 11.687 1.138 12.275 381 H LEU 44 HN LEU 44 6.009 -2.773 8.304 382 HA LEU 44 HA LEU 44 4.295 -3.980 10.205 383 HB2 LEU 44 HB2 LEU 44 5.919 -5.103 7.977 384 HB3 LEU 44 HB1 LEU 44 4.764 -6.044 8.898 385 HG LEU 44 HG LEU 44 4.138 -3.677 7.123 386 HD11 LEU 44 HD11 LEU 44 4.749 -5.669 5.865 387 HD12 LEU 44 HD12 LEU 44 3.031 -5.318 5.698 388 HD13 LEU 44 HD13 LEU 44 3.565 -6.613 6.768 389 HD21 LEU 44 HD21 LEU 44 1.783 -4.273 7.519 390 HD22 LEU 44 HD22 LEU 44 2.594 -3.768 8.997 391 HD23 LEU 44 HD23 LEU 44 2.297 -5.482 8.696 392 H ARG 45 HN ARG 45 4.860 -6.166 11.107 393 HA ARG 45 HA ARG 45 6.669 -5.855 13.193 394 HB2 ARG 45 HB2 ARG 45 4.757 -7.406 13.275 395 HB3 ARG 45 HB1 ARG 45 5.549 -8.450 12.109 396 HG2 ARG 45 HG2 ARG 45 7.408 -8.760 13.755 397 HG3 ARG 45 HG1 ARG 45 6.452 -7.845 14.918 398 HD2 ARG 45 HD2 ARG 45 5.633 -10.444 13.604 399 HD3 ARG 45 HD1 ARG 45 6.218 -10.264 15.252 400 HE ARG 45 HE ARG 45 4.002 -8.600 14.905 401 HH11 ARG 45 HH11 ARG 45 4.739 -12.062 15.089 402 HH12 ARG 45 HH12 ARG 45 3.209 -12.509 15.674 403 HH21 ARG 45 HH21 ARG 45 1.859 -9.241 15.681 404 HH22 ARG 45 HH22 ARG 45 1.553 -10.897 15.998 405 H GLY 46 HN GLY 46 7.077 -8.121 10.435 406 HA2 GLY 46 HA2 GLY 46 9.977 -7.937 10.932 407 HA3 GLY 46 HA1 GLY 46 9.171 -9.370 10.323 408 H MET 47 HN MET 47 8.510 -6.114 9.225 409 HA MET 47 HA MET 47 10.051 -6.536 6.787 410 HB2 MET 47 HB2 MET 47 7.079 -5.916 6.800 411 HB3 MET 47 HB1 MET 47 8.117 -5.656 5.418 412 HG2 MET 47 HG2 MET 47 7.624 -8.321 6.719 413 HG3 MET 47 HG1 MET 47 6.774 -7.718 5.298 414 HE1 MET 47 HE1 MET 47 8.237 -10.526 5.308 415 HE2 MET 47 HE2 MET 47 9.058 -10.467 3.744 416 HE3 MET 47 HE3 MET 47 7.417 -9.847 3.904 417 HA PRO 48 HA PRO 48 10.819 -2.382 8.418 418 HB2 PRO 48 HB2 PRO 48 12.999 -2.385 6.448 419 HB3 PRO 48 HB1 PRO 48 13.076 -2.190 8.200 420 HG2 PRO 48 HG2 PRO 48 13.945 -4.421 7.004 421 HG3 PRO 48 HG1 PRO 48 13.144 -4.468 8.581 422 HD2 PRO 48 HD2 PRO 48 12.027 -5.105 5.878 423 HD3 PRO 48 HD1 PRO 48 11.814 -5.953 7.429 424 H ASP 49 HN ASP 49 10.950 -3.152 4.938 425 HA ASP 49 HA ASP 49 10.497 -0.346 4.294 426 HB2 ASP 49 HB2 ASP 49 11.083 -2.720 2.537 427 HB3 ASP 49 HB1 ASP 49 10.648 -1.147 1.888 428 H CYS 50 HN CYS 50 8.542 -2.805 5.065 429 HA CYS 50 HA CYS 50 6.456 -2.008 3.172 430 HB2 CYS 50 HB2 CYS 50 6.485 -4.350 5.076 431 HB3 CYS 50 HB1 CYS 50 5.318 -4.045 3.798 432 HG CYS 50 HG CYS 50 7.811 -4.096 1.996 433 H TYR 51 HN TYR 51 4.932 -0.699 3.900 434 HA TYR 51 HA TYR 51 4.557 -0.386 6.793 435 HB2 TYR 51 HB2 TYR 51 4.160 1.739 4.684 436 HB3 TYR 51 HB1 TYR 51 4.131 1.944 6.428 437 HD1 TYR 51 HD2 TYR 51 6.298 1.749 7.696 438 HD2 TYR 51 HD1 TYR 51 6.156 1.885 3.467 439 HE1 TYR 51 HE2 TYR 51 8.664 2.362 7.649 440 HE2 TYR 51 HE1 TYR 51 8.510 2.501 3.398 441 HH TYR 51 HH TYR 51 10.545 2.336 6.145 442 H LYS 52 HN LYS 52 2.396 0.266 7.342 443 HA LYS 52 HA LYS 52 0.408 -0.623 5.384 444 HB2 LYS 52 HB2 LYS 52 -0.917 -1.514 7.243 445 HB3 LYS 52 HB1 LYS 52 0.665 -2.280 7.195 446 HG2 LYS 52 HG2 LYS 52 1.416 -0.751 8.976 447 HG3 LYS 52 HG1 LYS 52 -0.207 -0.084 9.054 448 HD2 LYS 52 HD2 LYS 52 -1.061 -2.322 9.657 449 HD3 LYS 52 HD1 LYS 52 0.604 -2.928 9.652 450 HE2 LYS 52 HE2 LYS 52 1.184 -1.205 11.314 451 HE3 LYS 52 HE1 LYS 52 -0.511 -0.736 11.355 452 HZ1 LYS 52 HZ1 LYS 52 0.000 -2.183 13.193 453 HZ2 LYS 52 HZ2 LYS 52 0.626 -3.360 12.191 454 HZ3 LYS 52 HZ3 LYS 52 -1.040 -3.010 12.155 455 H ILE 53 HN ILE 53 -1.211 0.701 5.042 456 HA ILE 53 HA ILE 53 -1.459 3.065 6.752 457 HB ILE 53 HB ILE 53 -2.457 2.781 3.897 458 HG12 ILE 53 HG12 ILE 53 0.126 4.037 4.879 459 HG13 ILE 53 HG11 ILE 53 -0.043 2.619 3.868 460 HG21 ILE 53 HG21 ILE 53 -2.658 5.240 4.025 461 HG22 ILE 53 HG22 ILE 53 -2.035 5.173 5.683 462 HG23 ILE 53 HG23 ILE 53 -3.580 4.439 5.310 463 HD11 ILE 53 HD11 ILE 53 0.594 4.561 2.549 464 HD12 ILE 53 HD12 ILE 53 -0.877 5.395 3.062 465 HD13 ILE 53 HD13 ILE 53 -0.986 3.939 2.070 466 H LYS 54 HN LYS 54 -3.635 3.644 7.246 467 HA LYS 54 HA LYS 54 -5.631 1.553 6.797 468 HB2 LYS 54 HB2 LYS 54 -4.967 2.989 9.327 469 HB3 LYS 54 HB1 LYS 54 -6.317 1.879 9.127 470 HG2 LYS 54 HG2 LYS 54 -4.891 0.016 9.049 471 HG3 LYS 54 HG1 LYS 54 -3.470 1.012 8.712 472 HD2 LYS 54 HD2 LYS 54 -3.436 0.248 11.012 473 HD3 LYS 54 HD1 LYS 54 -3.633 2.001 10.897 474 HE2 LYS 54 HE2 LYS 54 -6.065 1.737 11.260 475 HE3 LYS 54 HE1 LYS 54 -5.840 -0.003 11.433 476 HZ1 LYS 54 HZ1 LYS 54 -4.652 2.063 13.211 477 HZ2 LYS 54 HZ2 LYS 54 -4.492 0.398 13.392 478 HZ3 LYS 54 HZ3 LYS 54 -6.005 1.120 13.548 479 H LEU 55 HN LEU 55 -7.685 2.415 6.777 480 HA LEU 55 HA LEU 55 -7.851 5.308 6.629 481 HB2 LEU 55 HB2 LEU 55 -9.770 3.182 5.672 482 HB3 LEU 55 HB1 LEU 55 -10.021 4.905 5.520 483 HG LEU 55 HG LEU 55 -7.870 3.304 4.153 484 HD11 LEU 55 HD11 LEU 55 -9.089 3.886 2.121 485 HD12 LEU 55 HD12 LEU 55 -10.336 4.668 3.093 486 HD13 LEU 55 HD13 LEU 55 -10.073 2.929 3.221 487 HD21 LEU 55 HD21 LEU 55 -8.505 6.253 4.041 488 HD22 LEU 55 HD22 LEU 55 -7.408 5.417 2.948 489 HD23 LEU 55 HD23 LEU 55 -7.028 5.517 4.667 490 H ARG 56 HN ARG 56 -8.433 6.202 8.300 491 HA ARG 56 HA ARG 56 -8.774 5.106 10.779 492 HB2 ARG 56 HB2 ARG 56 -9.704 7.784 9.825 493 HB3 ARG 56 HB1 ARG 56 -9.434 7.334 11.498 494 HG2 ARG 56 HG2 ARG 56 -7.093 7.150 11.168 495 HG3 ARG 56 HG1 ARG 56 -7.264 7.240 9.415 496 HD2 ARG 56 HD2 ARG 56 -7.881 9.442 11.384 497 HD3 ARG 56 HD1 ARG 56 -6.492 9.372 10.299 498 HE ARG 56 HE ARG 56 -9.035 9.174 8.968 499 HH11 ARG 56 HH11 ARG 56 -6.614 11.483 10.097 500 HH12 ARG 56 HH12 ARG 56 -7.121 12.710 9.027 501 HH21 ARG 56 HH21 ARG 56 -9.722 10.864 7.551 502 HH22 ARG 56 HH22 ARG 56 -8.907 12.368 7.592 503 H SER 57 HN SER 57 -11.406 6.171 8.616 504 HA SER 57 HA SER 57 -13.267 5.439 10.753 505 HB2 SER 57 HB2 SER 57 -13.733 7.202 8.357 506 HB3 SER 57 HB1 SER 57 -14.831 6.962 9.720 507 HG SER 57 HG SER 57 -12.813 7.650 10.962 508 H SER 58 HN SER 58 -11.991 3.771 8.369 509 HA SER 58 HA SER 58 -14.565 2.517 7.788 510 HB2 SER 58 HB2 SER 58 -13.781 2.036 5.445 511 HB3 SER 58 HB1 SER 58 -14.113 3.730 5.800 512 HG SER 58 HG SER 58 -12.029 4.173 5.849 513 H GLY 59 HN GLY 59 -11.111 2.067 8.272 514 HA2 GLY 59 HA2 GLY 59 -10.259 0.194 9.395 515 HA3 GLY 59 HA1 GLY 59 -11.721 -0.690 9.000 516 H TYR 60 HN TYR 60 -10.674 0.851 6.263 517 HA TYR 60 HA TYR 60 -9.624 -1.599 5.166 518 HB2 TYR 60 HB2 TYR 60 -10.281 1.078 3.991 519 HB3 TYR 60 HB1 TYR 60 -9.334 -0.089 3.066 520 HD1 TYR 60 HD2 TYR 60 -12.620 0.497 4.687 521 HD2 TYR 60 HD1 TYR 60 -10.356 -1.945 2.050 522 HE1 TYR 60 HE2 TYR 60 -14.687 -0.647 3.975 523 HE2 TYR 60 HE1 TYR 60 -12.397 -3.090 1.334 524 HH TYR 60 HH TYR 60 -15.465 -1.912 2.012 525 H ARG 61 HN ARG 61 -7.564 -1.467 3.766 526 HA ARG 61 HA ARG 61 -5.536 0.112 5.159 527 HB2 ARG 61 HB2 ARG 61 -5.440 -2.874 4.770 528 HB3 ARG 61 HB1 ARG 61 -4.161 -1.873 5.432 529 HG2 ARG 61 HG2 ARG 61 -5.502 -1.345 7.343 530 HG3 ARG 61 HG1 ARG 61 -6.875 -2.210 6.650 531 HD2 ARG 61 HD2 ARG 61 -5.637 -4.257 6.694 532 HD3 ARG 61 HD1 ARG 61 -4.226 -3.422 7.352 533 HE ARG 61 HE ARG 61 -6.811 -3.675 8.734 534 HH11 ARG 61 HH11 ARG 61 -3.277 -3.444 8.846 535 HH12 ARG 61 HH12 ARG 61 -3.230 -3.610 10.552 536 HH21 ARG 61 HH21 ARG 61 -6.691 -3.924 11.007 537 HH22 ARG 61 HH22 ARG 61 -5.175 -3.902 11.789 538 H LEU 62 HN LEU 62 -3.503 -0.054 4.011 539 HA LEU 62 HA LEU 62 -3.417 -1.306 1.425 540 HB2 LEU 62 HB2 LEU 62 -4.345 0.920 0.936 541 HB3 LEU 62 HB1 LEU 62 -3.014 1.686 1.774 542 HG LEU 62 HG LEU 62 -2.548 0.001 -0.694 543 HD11 LEU 62 HD11 LEU 62 -4.221 1.691 -1.258 544 HD12 LEU 62 HD12 LEU 62 -2.668 2.042 -2.009 545 HD13 LEU 62 HD13 LEU 62 -3.183 2.950 -0.583 546 HD21 LEU 62 HD21 LEU 62 -0.584 0.634 0.646 547 HD22 LEU 62 HD22 LEU 62 -1.045 2.331 0.514 548 HD23 LEU 62 HD23 LEU 62 -0.579 1.428 -0.928 549 H VAL 63 HN VAL 63 -1.621 -2.374 1.470 550 HA VAL 63 HA VAL 63 0.576 -1.492 3.200 551 HB VAL 63 HB VAL 63 0.016 -4.218 2.011 552 HG11 VAL 63 HG11 VAL 63 2.388 -3.863 2.367 553 HG12 VAL 63 HG12 VAL 63 1.756 -5.036 3.526 554 HG13 VAL 63 HG13 VAL 63 2.088 -3.377 4.038 555 HG21 VAL 63 HG21 VAL 63 -0.397 -3.171 4.799 556 HG22 VAL 63 HG22 VAL 63 -0.516 -4.862 4.320 557 HG23 VAL 63 HG23 VAL 63 -1.640 -3.678 3.647 558 H TYR 64 HN TYR 64 2.385 -0.847 2.273 559 HA TYR 64 HA TYR 64 2.877 -1.510 -0.537 560 HB2 TYR 64 HB2 TYR 64 3.434 0.799 -1.060 561 HB3 TYR 64 HB1 TYR 64 1.795 0.738 -0.428 562 HD1 TYR 64 HD1 TYR 64 1.437 1.391 2.019 563 HD2 TYR 64 HD2 TYR 64 5.065 2.206 -0.056 564 HE1 TYR 64 HE1 TYR 64 2.027 3.068 3.707 565 HE2 TYR 64 HE2 TYR 64 5.653 3.891 1.634 566 HH TYR 64 HH TYR 64 4.568 5.283 3.336 567 H GLN 65 HN GLN 65 5.090 -1.207 -1.105 568 HA GLN 65 HA GLN 65 6.910 -1.082 1.167 569 HB2 GLN 65 HB2 GLN 65 6.929 -3.297 0.126 570 HB3 GLN 65 HB1 GLN 65 7.155 -2.565 -1.458 571 HG2 GLN 65 HG2 GLN 65 9.315 -1.641 -0.654 572 HG3 GLN 65 HG1 GLN 65 9.091 -2.548 0.840 573 HE21 GLN 65 HE21 GLN 65 9.651 -2.732 -2.532 574 HE22 GLN 65 HE22 GLN 65 10.248 -4.354 -2.570 575 H VAL 66 HN VAL 66 8.323 0.565 1.015 576 HA VAL 66 HA VAL 66 8.162 2.105 -1.444 577 HB VAL 66 HB VAL 66 7.912 3.337 0.750 578 HG11 VAL 66 HG11 VAL 66 10.862 2.880 1.050 579 HG12 VAL 66 HG12 VAL 66 9.651 2.004 1.942 580 HG13 VAL 66 HG13 VAL 66 9.805 3.764 2.161 581 HG21 VAL 66 HG21 VAL 66 8.505 4.527 -1.269 582 HG22 VAL 66 HG22 VAL 66 10.209 4.155 -1.020 583 HG23 VAL 66 HG23 VAL 66 9.367 5.217 0.107 584 H ILE 67 HN ILE 67 9.786 2.327 -2.780 585 HA ILE 67 HA ILE 67 12.273 0.937 -2.121 586 HB ILE 67 HB ILE 67 11.061 1.236 -4.884 587 HG12 ILE 67 HG12 ILE 67 10.976 -1.193 -3.059 588 HG13 ILE 67 HG11 ILE 67 9.598 -0.178 -3.461 589 HG21 ILE 67 HG21 ILE 67 13.500 0.911 -4.731 590 HG22 ILE 67 HG22 ILE 67 12.710 -0.480 -5.476 591 HG23 ILE 67 HG23 ILE 67 13.240 -0.560 -3.795 592 HD11 ILE 67 HD11 ILE 67 11.180 -1.849 -5.400 593 HD12 ILE 67 HD12 ILE 67 9.768 -0.870 -5.792 594 HD13 ILE 67 HD13 ILE 67 9.606 -2.266 -4.724 595 H ASP 68 HN ASP 68 13.739 2.532 -1.814 596 HA ASP 68 HA ASP 68 13.299 5.058 -3.126 597 HB2 ASP 68 HB2 ASP 68 15.201 5.916 -1.743 598 HB3 ASP 68 HB1 ASP 68 13.835 5.316 -0.818 599 H GLU 69 HN GLU 69 15.191 2.329 -3.694 600 HA GLU 69 HA GLU 69 17.122 3.727 -5.306 601 HB2 GLU 69 HB2 GLU 69 17.703 1.484 -6.246 602 HB3 GLU 69 HB1 GLU 69 17.786 1.550 -4.493 603 HG2 GLU 69 HG2 GLU 69 15.743 0.362 -4.280 604 HG3 GLU 69 HG1 GLU 69 15.414 0.523 -5.997 605 H LYS 70 HN LYS 70 14.135 2.041 -5.982 606 HA LYS 70 HA LYS 70 14.287 2.614 -8.843 607 HB2 LYS 70 HB2 LYS 70 12.243 1.157 -7.170 608 HB3 LYS 70 HB1 LYS 70 12.087 1.337 -8.903 609 HG2 LYS 70 HG2 LYS 70 14.199 0.048 -9.176 610 HG3 LYS 70 HG1 LYS 70 14.293 -0.134 -7.429 611 HD2 LYS 70 HD2 LYS 70 12.180 -1.356 -7.418 612 HD3 LYS 70 HD1 LYS 70 12.027 -1.132 -9.155 613 HE2 LYS 70 HE2 LYS 70 12.841 -3.361 -8.729 614 HE3 LYS 70 HE1 LYS 70 14.125 -2.415 -9.469 615 HZ1 LYS 70 HZ1 LYS 70 14.929 -3.784 -7.681 616 HZ2 LYS 70 HZ2 LYS 70 13.899 -3.082 -6.568 617 HZ3 LYS 70 HZ3 LYS 70 15.162 -2.186 -7.233 618 H VAL 71 HN VAL 71 13.073 3.935 -6.043 619 HA VAL 71 HA VAL 71 11.927 5.726 -5.451 620 HB VAL 71 HB VAL 71 12.087 6.692 -8.328 621 HG11 VAL 71 HG11 VAL 71 11.857 8.147 -5.710 622 HG12 VAL 71 HG12 VAL 71 10.608 7.954 -6.945 623 HG13 VAL 71 HG13 VAL 71 12.052 8.922 -7.292 624 HG21 VAL 71 HG21 VAL 71 14.076 7.068 -6.119 625 HG22 VAL 71 HG22 VAL 71 14.119 7.826 -7.724 626 HG23 VAL 71 HG23 VAL 71 14.290 6.067 -7.564 627 H VAL 72 HN VAL 72 10.348 3.883 -5.390 628 HA VAL 72 HA VAL 72 7.930 4.709 -6.765 629 HB VAL 72 HB VAL 72 7.390 2.326 -7.363 630 HG11 VAL 72 HG11 VAL 72 9.752 3.563 -8.729 631 HG12 VAL 72 HG12 VAL 72 8.034 3.794 -9.103 632 HG13 VAL 72 HG13 VAL 72 8.793 2.232 -9.371 633 HG21 VAL 72 HG21 VAL 72 10.306 1.904 -6.843 634 HG22 VAL 72 HG22 VAL 72 9.222 0.734 -7.604 635 HG23 VAL 72 HG23 VAL 72 8.975 1.207 -5.918 636 H VAL 73 HN VAL 73 6.086 4.107 -5.762 637 HA VAL 73 HA VAL 73 6.302 2.844 -3.151 638 HB VAL 73 HB VAL 73 4.057 4.492 -4.399 639 HG11 VAL 73 HG11 VAL 73 2.968 4.385 -2.210 640 HG12 VAL 73 HG12 VAL 73 4.254 3.334 -1.617 641 HG13 VAL 73 HG13 VAL 73 3.170 2.770 -2.892 642 HG21 VAL 73 HG21 VAL 73 4.594 6.131 -2.661 643 HG22 VAL 73 HG22 VAL 73 5.934 5.851 -3.777 644 HG23 VAL 73 HG23 VAL 73 5.965 5.134 -2.161 645 H PHE 74 HN PHE 74 6.251 0.762 -3.601 646 HA PHE 74 HA PHE 74 4.554 -0.191 -5.745 647 HB2 PHE 74 HB2 PHE 74 6.904 -0.850 -5.769 648 HB3 PHE 74 HB1 PHE 74 6.761 -1.497 -4.149 649 HD1 PHE 74 HD2 PHE 74 4.151 -2.131 -6.735 650 HD2 PHE 74 HD1 PHE 74 7.646 -3.595 -4.754 651 HE1 PHE 74 HE2 PHE 74 3.749 -4.350 -7.650 652 HE2 PHE 74 HE1 PHE 74 7.232 -5.820 -5.689 653 HZ PHE 74 HZ PHE 74 5.294 -6.197 -7.137 654 H VAL 75 HN VAL 75 2.580 -0.240 -4.956 655 HA VAL 75 HA VAL 75 1.936 -1.111 -2.324 656 HB VAL 75 HB VAL 75 0.094 -0.743 -4.696 657 HG11 VAL 75 HG11 VAL 75 -0.488 -0.834 -1.738 658 HG12 VAL 75 HG12 VAL 75 -0.901 -2.074 -2.920 659 HG13 VAL 75 HG13 VAL 75 -1.665 -0.485 -3.004 660 HG21 VAL 75 HG21 VAL 75 1.305 1.313 -4.241 661 HG22 VAL 75 HG22 VAL 75 0.885 1.211 -2.533 662 HG23 VAL 75 HG23 VAL 75 -0.378 1.484 -3.735 663 H ILE 76 HN ILE 76 1.598 -3.070 -1.665 664 HA ILE 76 HA ILE 76 1.735 -5.245 -3.613 665 HB ILE 76 HB ILE 76 2.128 -5.313 -0.614 666 HG12 ILE 76 HG12 ILE 76 3.870 -4.013 -1.835 667 HG13 ILE 76 HG11 ILE 76 4.528 -5.437 -1.055 668 HG21 ILE 76 HG21 ILE 76 2.565 -7.408 -2.737 669 HG22 ILE 76 HG22 ILE 76 1.393 -7.458 -1.417 670 HG23 ILE 76 HG23 ILE 76 3.119 -7.561 -1.075 671 HD11 ILE 76 HD11 ILE 76 4.480 -6.593 -3.213 672 HD12 ILE 76 HD12 ILE 76 5.482 -5.139 -3.233 673 HD13 ILE 76 HD13 ILE 76 3.881 -5.117 -3.975 674 H SER 77 HN SER 77 -0.169 -4.116 -0.805 675 HA SER 77 HA SER 77 -2.290 -5.899 -1.720 676 HB2 SER 77 HB2 SER 77 -1.313 -5.694 1.133 677 HB3 SER 77 HB1 SER 77 -2.680 -6.666 0.578 678 HG SER 77 HG SER 77 -0.678 -7.264 -0.975 679 H VAL 78 HN VAL 78 -4.414 -5.280 -1.006 680 HA VAL 78 HA VAL 78 -4.786 -2.677 0.195 681 HB VAL 78 HB VAL 78 -5.902 -3.326 -2.572 682 HG11 VAL 78 HG11 VAL 78 -7.455 -2.091 -1.218 683 HG12 VAL 78 HG12 VAL 78 -6.848 -1.092 -2.543 684 HG13 VAL 78 HG13 VAL 78 -6.236 -0.857 -0.901 685 HG21 VAL 78 HG21 VAL 78 -4.633 -1.426 -3.421 686 HG22 VAL 78 HG22 VAL 78 -3.559 -2.661 -2.759 687 HG23 VAL 78 HG23 VAL 78 -3.899 -1.196 -1.834 688 H GLY 79 HN GLY 79 -6.484 -2.971 1.576 689 HA2 GLY 79 HA2 GLY 79 -8.960 -3.590 1.272 690 HA3 GLY 79 HA1 GLY 79 -8.304 -5.213 1.035 691 H LYS 80 HN LYS 80 -9.702 -5.660 2.903 692 HA LYS 80 HA LYS 80 -8.643 -4.610 5.397 693 HB2 LYS 80 HB2 LYS 80 -11.209 -6.101 4.880 694 HB3 LYS 80 HB1 LYS 80 -10.654 -5.568 6.457 695 HG2 LYS 80 HG2 LYS 80 -10.725 -3.246 5.680 696 HG3 LYS 80 HG1 LYS 80 -11.338 -3.792 4.117 697 HD2 LYS 80 HD2 LYS 80 -13.181 -3.025 5.467 698 HD3 LYS 80 HD1 LYS 80 -13.297 -4.775 5.302 699 HE2 LYS 80 HE2 LYS 80 -12.297 -5.053 7.517 700 HE3 LYS 80 HE1 LYS 80 -12.153 -3.303 7.679 701 HZ1 LYS 80 HZ1 LYS 80 -14.065 -4.124 8.844 702 HZ2 LYS 80 HZ2 LYS 80 -14.684 -4.838 7.446 703 HZ3 LYS 80 HZ3 LYS 80 -14.558 -3.160 7.563 704 H ALA 81 HN ALA 81 -6.887 -5.772 5.790 705 HA ALA 81 HA ALA 81 -7.236 -8.627 6.257 706 HB1 ALA 81 HB1 ALA 81 -4.772 -8.577 6.692 707 HB2 ALA 81 HB2 ALA 81 -4.784 -6.846 6.352 708 HB3 ALA 81 HB3 ALA 81 -5.179 -7.998 5.076 709 H GLU 82 HN GLU 82 -8.226 -8.865 8.132 710 HA GLU 82 HA GLU 82 -8.045 -6.658 10.032 711 HB2 GLU 82 HB2 GLU 82 -10.147 -7.485 10.918 712 HB3 GLU 82 HB1 GLU 82 -10.226 -7.117 9.195 713 HG2 GLU 82 HG2 GLU 82 -9.872 -9.576 8.785 714 HG3 GLU 82 HG1 GLU 82 -10.084 -9.787 10.519 715 H ALA 83 HN ALA 83 -8.264 -7.068 12.278 716 HA ALA 83 HA ALA 83 -6.554 -9.282 13.155 717 HB1 ALA 83 HB1 ALA 83 -6.059 -7.938 15.060 718 HB2 ALA 83 HB2 ALA 83 -7.294 -6.772 14.594 719 HB3 ALA 83 HB3 ALA 83 -5.841 -6.944 13.607 720 H SER 84 HN SER 84 -9.615 -9.204 12.744 721 HA SER 84 HA SER 84 -10.804 -9.253 15.290 722 HB2 SER 84 HB2 SER 84 -11.768 -10.528 12.731 723 HB3 SER 84 HB1 SER 84 -12.749 -10.132 14.144 724 HG SER 84 HG SER 84 -12.322 -8.628 12.106 725 H GLU 85 HN GLU 85 -9.993 -11.906 13.088 726 HA GLU 85 HA GLU 85 -10.049 -13.804 15.364 727 HB2 GLU 85 HB2 GLU 85 -10.809 -14.472 12.517 728 HB3 GLU 85 HB1 GLU 85 -11.056 -15.450 13.946 729 HG2 GLU 85 HG2 GLU 85 -12.525 -12.927 13.196 730 HG3 GLU 85 HG1 GLU 85 -13.157 -14.566 13.162 731 H VAL 86 HN VAL 86 -7.992 -12.233 13.890 732 HA VAL 86 HA VAL 86 -6.595 -13.608 11.942 733 HB VAL 86 HB VAL 86 -6.381 -11.226 12.434 734 HG11 VAL 86 HG11 VAL 86 -4.836 -10.418 14.164 735 HG12 VAL 86 HG12 VAL 86 -4.747 -12.065 14.808 736 HG13 VAL 86 HG13 VAL 86 -6.286 -11.196 14.794 737 HG21 VAL 86 HG21 VAL 86 -3.735 -12.674 12.399 738 HG22 VAL 86 HG22 VAL 86 -3.967 -10.971 11.999 739 HG23 VAL 86 HG23 VAL 86 -4.705 -12.221 10.996 740 H TYR 87 HN TYR 87 -6.669 -14.457 15.208 741 HA TYR 87 HA TYR 87 -4.044 -15.681 15.053 742 HB2 TYR 87 HB2 TYR 87 -4.183 -16.008 17.525 743 HB3 TYR 87 HB1 TYR 87 -4.123 -14.345 16.983 744 HD1 TYR 87 HD2 TYR 87 -6.678 -16.937 17.877 745 HD2 TYR 87 HD1 TYR 87 -5.514 -12.852 18.046 746 HE1 TYR 87 HE2 TYR 87 -8.611 -16.443 19.308 747 HE2 TYR 87 HE1 TYR 87 -7.445 -12.357 19.482 748 HH TYR 87 HH TYR 87 -9.227 -14.801 20.969 749 H SER 88 HN SER 88 -6.765 -16.737 14.040 750 HA SER 88 HA SER 88 -7.638 -18.952 15.406 751 HB2 SER 88 HB2 SER 88 -7.425 -18.658 12.418 752 HB3 SER 88 HB1 SER 88 -8.424 -19.835 13.265 753 HG SER 88 HG SER 88 -8.684 -16.999 13.264 754 H GLU 89 HN GLU 89 -4.689 -18.880 13.396 755 HA GLU 89 HA GLU 89 -4.402 -21.738 13.418 756 HB2 GLU 89 HB2 GLU 89 -3.505 -20.318 11.582 757 HB3 GLU 89 HB1 GLU 89 -2.352 -19.617 12.702 758 HG2 GLU 89 HG2 GLU 89 -1.329 -21.833 13.001 759 HG3 GLU 89 HG1 GLU 89 -2.477 -22.506 11.850 760 H ALA 90 HN ALA 90 -3.765 -19.316 15.684 761 HA ALA 90 HA ALA 90 -1.731 -20.921 17.040 762 HB1 ALA 90 HB1 ALA 90 -1.283 -18.894 18.356 763 HB2 ALA 90 HB2 ALA 90 -2.562 -18.049 17.484 764 HB3 ALA 90 HB3 ALA 90 -1.116 -18.584 16.626 765 H VAL 91 HN VAL 91 -2.525 -22.239 18.509 766 HA VAL 91 HA VAL 91 -4.984 -21.468 19.884 767 HB VAL 91 HB VAL 91 -5.264 -23.882 20.463 768 HG11 VAL 91 HG11 VAL 91 -5.095 -23.279 17.502 769 HG12 VAL 91 HG12 VAL 91 -6.463 -22.920 18.559 770 HG13 VAL 91 HG13 VAL 91 -6.023 -24.594 18.225 771 HG21 VAL 91 HG21 VAL 91 -2.946 -24.622 20.237 772 HG22 VAL 91 HG22 VAL 91 -2.998 -24.300 18.503 773 HG23 VAL 91 HG23 VAL 91 -4.001 -25.576 19.192 774 H LYS 92 HN LYS 92 -5.114 -21.624 22.065 775 HA LYS 92 HA LYS 92 -2.514 -21.543 23.424 776 HB2 LYS 92 HB2 LYS 92 -3.705 -20.374 25.217 777 HB3 LYS 92 HB1 LYS 92 -3.930 -19.564 23.672 778 HG2 LYS 92 HG2 LYS 92 -6.144 -20.563 23.473 779 HG3 LYS 92 HG1 LYS 92 -5.907 -21.403 25.001 780 HD2 LYS 92 HD2 LYS 92 -5.690 -19.220 26.118 781 HD3 LYS 92 HD1 LYS 92 -6.003 -18.427 24.572 782 HE2 LYS 92 HE2 LYS 92 -8.174 -19.500 24.431 783 HE3 LYS 92 HE1 LYS 92 -7.874 -20.349 25.943 784 HZ1 LYS 92 HZ1 LYS 92 -7.722 -18.119 27.032 785 HZ2 LYS 92 HZ2 LYS 92 -9.225 -18.484 26.430 786 HZ3 LYS 92 HZ3 LYS 92 -8.253 -17.410 25.591 787 H ARG 93 HN ARG 93 -5.343 -23.421 23.135 788 HA ARG 93 HA ARG 93 -5.453 -24.585 25.691 789 HB2 ARG 93 HB2 ARG 93 -7.344 -24.578 24.171 790 HB3 ARG 93 HB1 ARG 93 -6.473 -25.615 23.054 791 HG2 ARG 93 HG2 ARG 93 -6.524 -27.431 24.636 792 HG3 ARG 93 HG1 ARG 93 -7.273 -26.392 25.852 793 HD2 ARG 93 HD2 ARG 93 -8.460 -27.161 23.193 794 HD3 ARG 93 HD1 ARG 93 -8.945 -27.783 24.772 795 HE ARG 93 HE ARG 93 -9.137 -25.086 24.989 796 HH11 ARG 93 HH11 ARG 93 -10.598 -27.511 22.869 797 HH12 ARG 93 HH12 ARG 93 -12.035 -26.646 22.633 798 HH21 ARG 93 HH21 ARG 93 -11.090 -23.876 24.637 799 HH22 ARG 93 HH22 ARG 93 -12.330 -24.514 23.679 800 H ILE 94 HN ILE 94 -4.058 -25.817 22.659 801 HA ILE 94 HA ILE 94 -2.535 -27.624 24.337 802 HB ILE 94 HB ILE 94 -4.284 -28.886 23.126 803 HG12 ILE 94 HG12 ILE 94 -1.500 -29.485 22.082 804 HG13 ILE 94 HG11 ILE 94 -2.125 -29.979 23.643 805 HG21 ILE 94 HG21 ILE 94 -2.944 -27.907 20.609 806 HG22 ILE 94 HG22 ILE 94 -4.554 -27.471 21.179 807 HG23 ILE 94 HG23 ILE 94 -4.213 -29.131 20.683 808 HD11 ILE 94 HD11 ILE 94 -3.799 -31.379 22.536 809 HD12 ILE 94 HD12 ILE 94 -2.159 -31.817 22.050 810 HD13 ILE 94 HD13 ILE 94 -3.177 -30.872 20.966 811 H LEU 95 HN LEU 95 -0.381 -27.786 23.884 812 HA LEU 95 HA LEU 95 0.614 -25.929 21.881 813 HB2 LEU 95 HB2 LEU 95 1.401 -25.637 24.195 814 HB3 LEU 95 HB1 LEU 95 2.032 -27.270 24.180 815 HG LEU 95 HG LEU 95 3.665 -26.638 22.460 816 HD11 LEU 95 HD11 LEU 95 2.483 -23.875 22.743 817 HD12 LEU 95 HD12 LEU 95 2.430 -24.900 21.307 818 HD13 LEU 95 HD13 LEU 95 3.970 -24.265 21.883 819 HD21 LEU 95 HD21 LEU 95 3.643 -24.796 24.845 820 HD22 LEU 95 HD22 LEU 95 5.052 -25.195 23.858 821 HD23 LEU 95 HD23 LEU 95 4.258 -26.448 24.812 822 H LYS 47 H LYS 47 1.290 -11.172 24.061 823 HA LYS 47 HA LYS 47 3.421 -10.107 24.326 824 HB2 LYS 47 HB2 LYS 47 1.845 -9.342 21.868 825 HB3 LYS 47 HB1 LYS 47 3.591 -9.163 21.994 826 HG2 LYS 47 HG2 LYS 47 3.851 -11.550 22.271 827 HG3 LYS 47 HG1 LYS 47 2.102 -11.769 22.271 828 HD2 LYS 47 HD2 LYS 47 1.989 -10.964 19.984 829 HD3 LYS 47 HD1 LYS 47 3.730 -10.678 19.979 830 HE2 LYS 47 HE2 LYS 47 2.437 -13.366 20.407 831 HE3 LYS 47 HE1 LYS 47 3.045 -12.789 18.856 832 HZ1 LYS 47 HZ1 LYS 47 5.239 -12.673 19.780 833 HZ2 LYS 47 HZ2 LYS 47 4.623 -14.215 19.979 834 HZ3 LYS 47 HZ3 LYS 47 4.701 -13.168 21.304 835 H GLN 48 HN GLN 48 1.026 -7.698 23.316 836 HA GLN 48 HA GLN 48 0.674 -5.591 23.862 837 HB2 GLN 48 HB2 GLN 48 1.019 -6.159 26.225 838 HB3 GLN 48 HB1 GLN 48 2.748 -5.946 26.035 839 HG2 GLN 48 HG2 GLN 48 1.750 -4.019 27.137 840 HG3 GLN 48 HG1 GLN 48 2.430 -3.578 25.576 841 HE21 GLN 48 HE21 GLN 48 -0.640 -5.241 25.972 842 HE22 GLN 48 HE22 GLN 48 -1.603 -3.933 25.399 843 H THR 49 HN THR 49 1.330 -4.969 21.900 844 HA THR 49 HA THR 49 3.738 -3.344 21.950 845 HB THR 49 HB THR 49 3.913 -4.037 19.426 846 HG1 THR 49 HG1 THR 49 2.044 -5.361 19.381 847 HG21 THR 49 HG21 THR 49 4.795 -5.926 21.617 848 HG22 THR 49 HG22 THR 49 5.656 -4.478 21.097 849 HG23 THR 49 HG23 THR 49 5.479 -5.839 19.991 850 H LEU 50 HN LEU 50 3.673 -1.822 19.925 851 HA LEU 50 HA LEU 50 1.099 -0.617 19.839 852 HB2 LEU 50 HB2 LEU 50 3.754 0.097 18.649 853 HB3 LEU 50 HB1 LEU 50 2.292 0.960 18.224 854 HG LEU 50 HG LEU 50 1.984 1.406 20.699 855 HD11 LEU 50 HD11 LEU 50 3.464 -0.248 21.587 856 HD12 LEU 50 HD12 LEU 50 3.936 1.367 22.124 857 HD13 LEU 50 HD13 LEU 50 4.855 0.549 20.855 858 HD21 LEU 50 HD21 LEU 50 3.522 3.279 20.684 859 HD22 LEU 50 HD22 LEU 50 2.634 3.052 19.168 860 HD23 LEU 50 HD23 LEU 50 4.336 2.569 19.273 861 H LEU 51 HN LEU 51 2.949 -2.799 18.045 862 HA LEU 51 HA LEU 51 1.041 -2.783 15.850 863 HB2 LEU 51 HB2 LEU 51 2.591 -4.380 14.739 864 HB3 LEU 51 HB1 LEU 51 3.353 -2.860 15.120 865 HG LEU 51 HG LEU 51 4.393 -4.074 17.131 866 HD11 LEU 51 HD11 LEU 51 4.673 -6.485 16.909 867 HD12 LEU 51 HD12 LEU 51 3.564 -6.494 15.537 868 HD13 LEU 51 HD13 LEU 51 2.979 -6.054 17.141 869 HD21 LEU 51 HD21 LEU 51 6.184 -4.986 15.730 870 HD22 LEU 51 HD22 LEU 51 5.646 -3.397 15.192 871 HD23 LEU 51 HD23 LEU 51 5.132 -4.843 14.322 872 H SER 52 HN SER 52 0.591 -5.350 15.194 873 HA SER 52 HA SER 52 0.031 -6.760 17.654 874 HB2 SER 52 HB2 SER 52 -1.858 -5.181 17.428 875 HB3 SER 52 HB1 SER 52 -2.191 -5.768 15.814 876 HG SER 52 HG SER 52 -2.408 -7.130 18.275 877 H ASP 53 HN ASP 53 -1.762 -8.648 16.515 878 HA ASP 53 HA ASP 53 0.101 -10.098 14.923 879 HB2 ASP 53 HB2 ASP 53 -2.553 -10.833 16.101 880 HB3 ASP 53 HB1 ASP 53 -1.732 -11.881 14.955 881 H GLU 54 HN GLU 54 -2.212 -7.912 14.213 882 HA GLU 54 HA GLU 54 -3.093 -8.861 11.701 883 HB2 GLU 54 HB2 GLU 54 -3.386 -6.421 11.157 884 HB3 GLU 54 HB1 GLU 54 -4.212 -6.959 12.610 885 HG2 GLU 54 HG2 GLU 54 -2.640 -5.939 14.007 886 HG3 GLU 54 HG1 GLU 54 -1.509 -5.654 12.684 887 H ASP 55 HN ASP 55 -0.223 -7.214 12.826 888 HA ASP 55 HA ASP 55 0.917 -6.601 10.344 889 HB2 ASP 55 HB2 ASP 55 2.256 -7.189 12.998 890 HB3 ASP 55 HB1 ASP 55 3.060 -6.477 11.600 891 H ALA 56 HN ALA 56 0.800 -9.456 12.253 892 HA ALA 56 HA ALA 56 2.750 -10.930 10.779 893 HB1 ALA 56 HB1 ALA 56 0.535 -11.958 12.555 894 HB2 ALA 56 HB2 ALA 56 2.162 -11.535 13.086 895 HB3 ALA 56 HB3 ALA 56 1.918 -12.889 11.981 896 H GLU 57 HN GLU 57 -0.549 -10.090 10.220 897 HA GLU 57 HA GLU 57 -1.213 -12.303 8.479 898 HB2 GLU 57 HB2 GLU 57 -2.966 -11.118 9.761 899 HB3 GLU 57 HB1 GLU 57 -2.510 -9.603 9.013 900 HG2 GLU 57 HG2 GLU 57 -4.464 -10.237 7.927 901 HG3 GLU 57 HG1 GLU 57 -3.186 -10.690 6.802 902 H LEU 58 HN LEU 58 -0.344 -8.925 8.319 903 HA LEU 58 HA LEU 58 -0.406 -8.857 5.503 904 HB2 LEU 58 HB2 LEU 58 0.598 -6.877 7.503 905 HB3 LEU 58 HB1 LEU 58 0.812 -6.633 5.785 906 HG LEU 58 HG LEU 58 -1.018 -5.375 6.377 907 HD11 LEU 58 HD11 LEU 58 -2.211 -7.905 5.266 908 HD12 LEU 58 HD12 LEU 58 -1.348 -6.701 4.332 909 HD13 LEU 58 HD13 LEU 58 -2.876 -6.279 5.116 910 HD21 LEU 58 HD21 LEU 58 -1.529 -6.255 8.555 911 HD22 LEU 58 HD22 LEU 58 -2.198 -7.721 7.837 912 HD23 LEU 58 HD23 LEU 58 -2.999 -6.167 7.588 913 H VAL 59 HN VAL 59 2.238 -9.492 7.748 914 HA VAL 59 HA VAL 59 4.233 -9.071 5.791 915 HB VAL 59 HB VAL 59 5.805 -10.355 7.141 916 HG11 VAL 59 HG11 VAL 59 4.125 -8.488 8.785 917 HG12 VAL 59 HG12 VAL 59 5.453 -8.050 7.714 918 HG13 VAL 59 HG13 VAL 59 5.769 -8.995 9.167 919 HG21 VAL 59 HG21 VAL 59 4.469 -12.152 7.909 920 HG22 VAL 59 HG22 VAL 59 3.394 -11.067 8.787 921 HG23 VAL 59 HG23 VAL 59 5.062 -11.291 9.333 922 H GLU 60 HN GLU 60 2.292 -11.891 6.498 923 HA GLU 60 HA GLU 60 3.881 -13.514 4.795 924 HB2 GLU 60 HB2 GLU 60 2.045 -15.210 5.062 925 HB3 GLU 60 HB1 GLU 60 2.821 -14.685 6.544 926 HG2 GLU 60 HG2 GLU 60 0.935 -13.226 7.021 927 HG3 GLU 60 HG1 GLU 60 0.162 -13.739 5.519 928 H ILE 61 HN ILE 61 0.983 -11.622 4.425 929 HA ILE 61 HA ILE 61 0.335 -12.620 1.854 930 HB ILE 61 HB ILE 61 -0.417 -9.952 3.115 931 HG12 ILE 61 HG12 ILE 61 -1.981 -12.536 2.862 932 HG13 ILE 61 HG11 ILE 61 -1.221 -11.954 4.336 933 HG21 ILE 61 HG21 ILE 61 -1.581 -11.318 0.679 934 HG22 ILE 61 HG22 ILE 61 -0.616 -9.843 0.672 935 HG23 ILE 61 HG23 ILE 61 -2.209 -9.849 1.428 936 HD11 ILE 61 HD11 ILE 61 -3.480 -10.619 2.851 937 HD12 ILE 61 HD12 ILE 61 -2.720 -10.009 4.320 938 HD13 ILE 61 HD13 ILE 61 -3.607 -11.533 4.354 939 H VAL 62 HN VAL 62 2.338 -9.910 2.946 940 HA VAL 62 HA VAL 62 2.778 -8.940 0.341 941 HB VAL 62 HB VAL 62 3.156 -7.361 2.155 942 HG11 VAL 62 HG11 VAL 62 5.023 -7.518 3.713 943 HG12 VAL 62 HG12 VAL 62 5.460 -9.084 3.021 944 HG13 VAL 62 HG13 VAL 62 3.921 -8.889 3.863 945 HG21 VAL 62 HG21 VAL 62 5.765 -7.950 0.767 946 HG22 VAL 62 HG22 VAL 62 5.361 -6.445 1.591 947 HG23 VAL 62 HG23 VAL 62 4.457 -6.938 0.161 948 H LYS 63 HN LYS 63 4.725 -11.099 2.368 949 HA LYS 63 HA LYS 63 6.842 -11.320 0.503 950 HB2 LYS 63 HB2 LYS 63 7.613 -13.229 1.807 951 HB3 LYS 63 HB1 LYS 63 7.096 -11.940 2.880 952 HG2 LYS 63 HG2 LYS 63 4.979 -13.091 3.227 953 HG3 LYS 63 HG1 LYS 63 5.520 -14.409 2.198 954 HD2 LYS 63 HD2 LYS 63 6.760 -13.538 4.825 955 HD3 LYS 63 HD1 LYS 63 5.815 -14.992 4.554 956 HE2 LYS 63 HE2 LYS 63 7.562 -15.692 2.854 957 HE3 LYS 63 HE1 LYS 63 8.523 -14.335 3.408 958 HZ1 LYS 63 HZ1 LYS 63 9.171 -16.374 4.484 959 HZ2 LYS 63 HZ2 LYS 63 7.629 -16.592 5.111 960 HZ3 LYS 63 HZ3 LYS 63 8.572 -15.292 5.628 961 H GLU 64 HN GLU 64 3.807 -12.985 0.842 962 HA GLU 64 HA GLU 64 4.243 -15.100 -0.956 963 HB2 GLU 64 HB2 GLU 64 2.359 -15.149 0.525 964 HB3 GLU 64 HB1 GLU 64 1.748 -13.634 -0.122 965 HG2 GLU 64 HG2 GLU 64 0.410 -15.275 -1.059 966 HG3 GLU 64 HG1 GLU 64 1.524 -14.765 -2.300 967 H ARG 65 HN ARG 65 2.676 -11.934 -1.402 968 HA ARG 65 HA ARG 65 2.378 -12.328 -4.198 969 HB2 ARG 65 HB2 ARG 65 2.282 -9.780 -2.598 970 HB3 ARG 65 HB1 ARG 65 1.849 -9.908 -4.294 971 HG2 ARG 65 HG2 ARG 65 0.064 -11.518 -3.622 972 HG3 ARG 65 HG1 ARG 65 0.460 -11.151 -1.938 973 HD2 ARG 65 HD2 ARG 65 0.036 -8.769 -2.403 974 HD3 ARG 65 HD1 ARG 65 -0.451 -9.201 -4.040 975 HE ARG 65 HE ARG 65 -1.866 -10.595 -1.981 976 HH11 ARG 65 HH11 ARG 65 -1.849 -7.814 -4.138 977 HH12 ARG 65 HH12 ARG 65 -3.465 -7.371 -3.850 978 HH21 ARG 65 HH21 ARG 65 -4.079 -10.060 -1.573 979 HH22 ARG 65 HH22 ARG 65 -4.811 -8.703 -2.265 980 H LEU 66 HN LEU 66 4.906 -11.300 -2.222 981 HA LEU 66 HA LEU 66 6.197 -9.564 -4.061 982 HB2 LEU 66 HB2 LEU 66 6.504 -9.746 -1.523 983 HB3 LEU 66 HB1 LEU 66 7.614 -11.051 -1.877 984 HG LEU 66 HG LEU 66 9.007 -9.481 -3.180 985 HD11 LEU 66 HD11 LEU 66 8.555 -7.060 -2.928 986 HD12 LEU 66 HD12 LEU 66 6.995 -7.469 -2.197 987 HD13 LEU 66 HD13 LEU 66 7.325 -7.904 -3.869 988 HD21 LEU 66 HD21 LEU 66 9.859 -8.237 -1.261 989 HD22 LEU 66 HD22 LEU 66 9.487 -9.910 -0.831 990 HD23 LEU 66 HD23 LEU 66 8.386 -8.612 -0.364 991 H ARG 67 HN ARG 67 6.060 -12.978 -3.865 992 HA ARG 67 HA ARG 67 8.493 -13.305 -5.391 993 HB2 ARG 67 HB2 ARG 67 8.062 -15.726 -5.317 994 HB3 ARG 67 HB1 ARG 67 8.022 -14.994 -3.723 995 HG2 ARG 67 HG2 ARG 67 5.520 -14.951 -3.927 996 HG3 ARG 67 HG1 ARG 67 5.707 -15.938 -5.375 997 HD2 ARG 67 HD2 ARG 67 5.238 -17.296 -3.382 998 HD3 ARG 67 HD1 ARG 67 6.809 -17.663 -4.090 999 HE ARG 67 HE ARG 67 7.801 -16.269 -2.339 1000 HH11 ARG 67 HH11 ARG 67 4.464 -17.382 -1.687 1001 HH12 ARG 67 HH12 ARG 67 4.731 -17.502 -0.017 1002 HH21 ARG 67 HH21 ARG 67 8.047 -16.329 -0.009 1003 HH22 ARG 67 HH22 ARG 67 6.750 -16.866 0.952 1004 H ASN 68 HN ASN 68 5.218 -12.748 -6.090 1005 HA ASN 68 HA ASN 68 5.848 -12.635 -8.835 1006 HB2 ASN 68 HB2 ASN 68 4.025 -14.148 -9.694 1007 HB3 ASN 68 HB1 ASN 68 5.355 -14.999 -8.931 1008 HD21 ASN 68 HD21 ASN 68 2.004 -14.198 -8.768 1009 HD22 ASN 68 HD22 ASN 68 1.562 -15.290 -7.505 1010 HA PRO 69 HA PRO 69 2.551 -9.783 -7.497 1011 HB2 PRO 69 HB2 PRO 69 3.906 -7.486 -7.495 1012 HB3 PRO 69 HB1 PRO 69 3.887 -8.573 -6.108 1013 HG2 PRO 69 HG2 PRO 69 6.070 -8.059 -8.047 1014 HG3 PRO 69 HG1 PRO 69 6.168 -8.620 -6.372 1015 HD2 PRO 69 HD2 PRO 69 6.366 -10.203 -8.722 1016 HD3 PRO 69 HD1 PRO 69 6.268 -10.771 -7.051 1017 H LYS 70 HN LYS 70 5.053 -8.971 -9.905 1018 HA LYS 70 HA LYS 70 5.032 -7.989 -11.859 1019 HB2 LYS 70 HB2 LYS 70 2.238 -9.144 -12.034 1020 HB3 LYS 70 HB1 LYS 70 2.936 -8.214 -13.349 1021 HG2 LYS 70 HG2 LYS 70 3.192 -10.561 -13.822 1022 HG3 LYS 70 HG1 LYS 70 4.778 -9.878 -13.493 1023 HD2 LYS 70 HD2 LYS 70 4.601 -10.753 -11.164 1024 HD3 LYS 70 HD1 LYS 70 3.084 -11.526 -11.614 1025 HE2 LYS 70 HE2 LYS 70 4.890 -13.126 -11.717 1026 HE3 LYS 70 HE1 LYS 70 4.274 -12.799 -13.341 1027 HZ1 LYS 70 HZ1 LYS 70 6.741 -11.611 -12.170 1028 HZ2 LYS 70 HZ2 LYS 70 6.169 -11.345 -13.724 1029 HZ3 LYS 70 HZ3 LYS 70 6.689 -12.875 -13.275 1030 HA PRO 71 HA PRO 71 3.358 -4.170 -10.162 1031 HB2 PRO 71 HB2 PRO 71 5.595 -2.712 -10.598 1032 HB3 PRO 71 HB1 PRO 71 5.343 -3.719 -9.165 1033 HG2 PRO 71 HG2 PRO 71 6.932 -4.300 -11.634 1034 HG3 PRO 71 HG1 PRO 71 7.333 -4.646 -9.945 1035 HD2 PRO 71 HD2 PRO 71 6.352 -6.530 -11.651 1036 HD3 PRO 71 HD1 PRO 71 6.065 -6.552 -9.904 1037 H VAL 72 HN VAL 72 2.182 -2.969 -11.342 1038 HA VAL 72 HA VAL 72 2.909 -2.377 -14.114 1039 HB VAL 72 HB VAL 72 0.250 -1.977 -12.687 1040 HG11 VAL 72 HG11 VAL 72 0.581 -0.419 -14.541 1041 HG12 VAL 72 HG12 VAL 72 -0.676 -1.594 -14.912 1042 HG13 VAL 72 HG13 VAL 72 0.929 -1.771 -15.619 1043 HG21 VAL 72 HG21 VAL 72 1.074 -4.131 -14.639 1044 HG22 VAL 72 HG22 VAL 72 -0.560 -3.879 -14.031 1045 HG23 VAL 72 HG23 VAL 72 0.726 -4.352 -12.921 1046 H ARG 73 HN ARG 73 3.713 -0.415 -14.493 1047 HA ARG 73 HA ARG 73 4.001 1.460 -12.370 1048 HB2 ARG 73 HB2 ARG 73 5.747 1.064 -14.070 1049 HB3 ARG 73 HB1 ARG 73 4.684 1.707 -15.306 1050 HG2 ARG 73 HG2 ARG 73 6.396 3.311 -14.646 1051 HG3 ARG 73 HG1 ARG 73 4.783 3.905 -14.258 1052 HD2 ARG 73 HD2 ARG 73 6.523 4.287 -12.485 1053 HD3 ARG 73 HD1 ARG 73 5.082 3.436 -11.944 1054 HE ARG 73 HE ARG 73 6.298 1.526 -11.628 1055 HH11 ARG 73 HH11 ARG 73 8.451 3.942 -13.150 1056 HH12 ARG 73 HH12 ARG 73 9.868 3.144 -12.627 1057 HH21 ARG 73 HH21 ARG 73 8.220 0.574 -10.883 1058 HH22 ARG 73 HH22 ARG 73 9.770 1.193 -11.342 1059 H VAL 74 HN VAL 74 2.431 2.683 -11.762 1060 HA VAL 74 HA VAL 74 0.705 3.887 -13.771 1061 HB VAL 74 HB VAL 74 -1.233 3.681 -12.192 1062 HG11 VAL 74 HG11 VAL 74 -0.027 1.064 -13.061 1063 HG12 VAL 74 HG12 VAL 74 -1.023 2.128 -14.054 1064 HG13 VAL 74 HG13 VAL 74 -1.720 1.326 -12.646 1065 HG21 VAL 74 HG21 VAL 74 -1.128 2.006 -10.397 1066 HG22 VAL 74 HG22 VAL 74 -0.026 3.353 -10.119 1067 HG23 VAL 74 HG23 VAL 74 0.601 1.807 -10.698 1068 H THR 75 HN THR 75 -0.682 5.562 -12.532 1069 HA THR 75 HA THR 75 0.952 7.090 -10.676 1070 HB THR 75 HB THR 75 0.119 9.168 -11.917 1071 HG1 THR 75 HG1 THR 75 -0.412 7.221 -13.937 1072 HG21 THR 75 HG21 THR 75 2.006 7.343 -13.423 1073 HG22 THR 75 HG22 THR 75 2.457 8.438 -12.117 1074 HG23 THR 75 HG23 THR 75 1.873 9.086 -13.651 1075 H LEU 76 HN LEU 76 -0.490 8.749 -9.561 1076 HA LEU 76 HA LEU 76 -2.965 7.475 -8.780 1077 HB2 LEU 76 HB2 LEU 76 -1.745 10.125 -8.002 1078 HB3 LEU 76 HB1 LEU 76 -3.166 9.415 -7.260 1079 HG LEU 76 HG LEU 76 -0.503 8.066 -7.290 1080 HD11 LEU 76 HD11 LEU 76 -0.339 10.212 -6.081 1081 HD12 LEU 76 HD12 LEU 76 -0.261 8.848 -4.965 1082 HD13 LEU 76 HD13 LEU 76 -1.756 9.770 -5.128 1083 HD21 LEU 76 HD21 LEU 76 -1.467 6.792 -5.424 1084 HD22 LEU 76 HD22 LEU 76 -2.353 6.589 -6.926 1085 HD23 LEU 76 HD23 LEU 76 -2.999 7.638 -5.658 1086 H ASP 77 HN ASP 77 -1.913 9.632 -11.034 1087 HA ASP 77 HA ASP 77 -4.172 11.286 -11.436 1088 HB2 ASP 77 HB2 ASP 77 -1.837 11.685 -12.280 1089 HB3 ASP 77 HB1 ASP 77 -2.121 10.425 -13.473 1090 H GLU 78 HN GLU 78 -3.136 8.189 -12.757 1091 HA GLU 78 HA GLU 78 -5.380 8.111 -14.599 1092 HB2 GLU 78 HB2 GLU 78 -4.340 6.071 -15.452 1093 HB3 GLU 78 HB1 GLU 78 -3.197 7.409 -15.394 1094 HG2 GLU 78 HG2 GLU 78 -2.319 6.518 -13.280 1095 HG3 GLU 78 HG1 GLU 78 -3.375 5.127 -13.426 1096 H LEU 79 HN LEU 79 -4.859 7.122 -11.398 1097 HA LEU 79 HA LEU 79 -6.384 4.707 -11.529 1098 HB2 LEU 79 HB2 LEU 79 -5.691 6.376 -9.116 1099 HB3 LEU 79 HB1 LEU 79 -6.415 4.788 -9.070 1100 HG LEU 79 HG LEU 79 -3.626 5.505 -9.945 1101 HD11 LEU 79 HD11 LEU 79 -4.678 3.806 -7.706 1102 HD12 LEU 79 HD12 LEU 79 -3.956 5.407 -7.559 1103 HD13 LEU 79 HD13 LEU 79 -2.979 4.042 -8.114 1104 HD21 LEU 79 HD21 LEU 79 -4.457 3.779 -11.447 1105 HD22 LEU 79 HD22 LEU 79 -4.997 2.818 -10.070 1106 HD23 LEU 79 HD23 LEU 79 -3.275 3.102 -10.327 Start of MODEL 17 1 H MET 1 H MET 1 6.962 13.460 -10.190 2 HA MET 1 HA MET 1 6.305 14.261 -8.092 3 HB2 MET 1 HB2 MET 1 5.116 11.488 -7.744 4 HB3 MET 1 HB1 MET 1 5.343 12.624 -6.424 5 HG2 MET 1 HG2 MET 1 3.831 14.197 -7.507 6 HG3 MET 1 HG1 MET 1 3.612 13.076 -8.845 7 HE1 MET 1 HE1 MET 1 0.154 13.007 -7.015 8 HE2 MET 1 HE2 MET 1 0.992 13.293 -8.543 9 HE3 MET 1 HE3 MET 1 1.225 14.398 -7.189 10 H ALA 2 HN ALA 2 7.268 13.080 -5.857 11 HA ALA 2 HA ALA 2 9.985 12.789 -6.502 12 HB1 ALA 2 HB1 ALA 2 9.191 13.645 -4.335 13 HB2 ALA 2 HB2 ALA 2 10.311 12.296 -4.141 14 HB3 ALA 2 HB3 ALA 2 8.577 12.039 -3.944 15 H TYR 3 HN TYR 3 7.693 10.415 -5.230 16 HA TYR 3 HA TYR 3 9.365 8.281 -6.348 17 HB2 TYR 3 HB2 TYR 3 7.220 8.323 -4.245 18 HB3 TYR 3 HB1 TYR 3 7.825 6.816 -4.917 19 HD1 TYR 3 HD2 TYR 3 8.673 9.771 -2.867 20 HD2 TYR 3 HD1 TYR 3 9.946 5.929 -4.168 21 HE1 TYR 3 HE2 TYR 3 10.440 9.793 -1.170 22 HE2 TYR 3 HE1 TYR 3 11.724 5.929 -2.466 23 HH TYR 3 HH TYR 3 12.993 7.575 -1.147 24 H PHE 4 HN PHE 4 8.449 6.831 -7.783 25 HA PHE 4 HA PHE 4 6.069 7.716 -9.161 26 HB2 PHE 4 HB2 PHE 4 7.594 5.107 -9.481 27 HB3 PHE 4 HB1 PHE 4 6.375 5.734 -10.579 28 HD1 PHE 4 HD1 PHE 4 6.886 7.927 -11.786 29 HD2 PHE 4 HD2 PHE 4 9.821 5.630 -9.743 30 HE1 PHE 4 HE1 PHE 4 8.659 9.049 -13.071 31 HE2 PHE 4 HE2 PHE 4 11.588 6.738 -11.005 32 HZ PHE 4 HZ PHE 4 11.027 8.450 -12.672 33 H LEU 5 HN LEU 5 4.246 5.939 -9.555 34 HA LEU 5 HA LEU 5 3.744 4.712 -6.963 35 HB2 LEU 5 HB2 LEU 5 2.225 6.568 -7.473 36 HB3 LEU 5 HB1 LEU 5 1.846 5.835 -9.011 37 HG LEU 5 HG LEU 5 0.783 3.962 -7.870 38 HD11 LEU 5 HD11 LEU 5 2.044 3.990 -5.769 39 HD12 LEU 5 HD12 LEU 5 0.313 4.096 -5.459 40 HD13 LEU 5 HD13 LEU 5 1.319 5.540 -5.341 41 HD21 LEU 5 HD21 LEU 5 -0.555 5.820 -8.584 42 HD22 LEU 5 HD22 LEU 5 -0.180 6.690 -7.102 43 HD23 LEU 5 HD23 LEU 5 -1.159 5.231 -7.033 44 H ASP 6 HN ASP 6 3.317 2.596 -6.968 45 HA ASP 6 HA ASP 6 2.744 1.261 -9.523 46 HB2 ASP 6 HB2 ASP 6 5.153 0.766 -7.866 47 HB3 ASP 6 HB1 ASP 6 4.298 -0.654 -8.445 48 H PHE 7 HN PHE 7 1.780 -0.712 -9.364 49 HA PHE 7 HA PHE 7 0.867 -1.544 -6.712 50 HB2 PHE 7 HB2 PHE 7 -0.863 -0.882 -9.059 51 HB3 PHE 7 HB1 PHE 7 -1.400 -2.113 -7.931 52 HD1 PHE 7 HD1 PHE 7 -0.526 1.434 -8.336 53 HD2 PHE 7 HD2 PHE 7 -2.320 -1.478 -5.831 54 HE1 PHE 7 HE1 PHE 7 -1.498 3.222 -6.969 55 HE2 PHE 7 HE2 PHE 7 -3.296 0.311 -4.445 56 HZ PHE 7 HZ PHE 7 -2.883 2.663 -5.018 57 H ASP 8 HN ASP 8 0.684 -3.647 -6.444 58 HA ASP 8 HA ASP 8 1.858 -5.476 -8.268 59 HB2 ASP 8 HB2 ASP 8 1.968 -5.954 -5.930 60 HB3 ASP 8 HB1 ASP 8 0.225 -5.808 -5.741 61 H GLU 9 HN GLU 9 0.863 -7.114 -9.483 62 HA GLU 9 HA GLU 9 -1.307 -6.524 -11.054 63 HB2 GLU 9 HB2 GLU 9 0.526 -8.591 -10.809 64 HB3 GLU 9 HB1 GLU 9 -1.036 -9.359 -10.570 65 HG2 GLU 9 HG2 GLU 9 -0.342 -7.673 -12.968 66 HG3 GLU 9 HG1 GLU 9 -0.180 -9.419 -12.908 67 H ARG 10 HN ARG 10 -1.329 -8.193 -7.892 68 HA ARG 10 HA ARG 10 -4.114 -8.937 -8.156 69 HB2 ARG 10 HB2 ARG 10 -2.371 -8.958 -5.689 70 HB3 ARG 10 HB1 ARG 10 -3.938 -9.728 -5.861 71 HG2 ARG 10 HG2 ARG 10 -2.981 -11.232 -7.556 72 HG3 ARG 10 HG1 ARG 10 -1.411 -10.466 -7.305 73 HD2 ARG 10 HD2 ARG 10 -1.530 -11.097 -4.915 74 HD3 ARG 10 HD1 ARG 10 -3.028 -11.961 -5.249 75 HE ARG 10 HE ARG 10 -1.137 -12.902 -7.021 76 HH11 ARG 10 HH11 ARG 10 -1.734 -12.985 -3.546 77 HH12 ARG 10 HH12 ARG 10 -0.785 -14.323 -3.217 78 HH21 ARG 10 HH21 ARG 10 0.171 -14.752 -6.660 79 HH22 ARG 10 HH22 ARG 10 0.365 -15.404 -5.117 80 H ALA 11 HN ALA 11 -2.165 -6.534 -6.528 81 HA ALA 11 HA ALA 11 -4.107 -5.359 -4.885 82 HB1 ALA 11 HB1 ALA 11 -2.615 -3.428 -4.759 83 HB2 ALA 11 HB2 ALA 11 -1.713 -4.026 -6.155 84 HB3 ALA 11 HB3 ALA 11 -1.707 -4.936 -4.641 85 H LEU 12 HN LEU 12 -3.347 -4.890 -8.221 86 HA LEU 12 HA LEU 12 -4.804 -2.618 -8.935 87 HB2 LEU 12 HB2 LEU 12 -4.506 -5.229 -10.399 88 HB3 LEU 12 HB1 LEU 12 -5.090 -3.754 -11.160 89 HG LEU 12 HG LEU 12 -2.310 -4.291 -10.083 90 HD11 LEU 12 HD11 LEU 12 -1.664 -4.397 -12.416 91 HD12 LEU 12 HD12 LEU 12 -3.327 -4.098 -12.909 92 HD13 LEU 12 HD13 LEU 12 -2.916 -5.598 -12.085 93 HD21 LEU 12 HD21 LEU 12 -2.889 -1.916 -9.980 94 HD22 LEU 12 HD22 LEU 12 -3.381 -1.959 -11.672 95 HD23 LEU 12 HD23 LEU 12 -1.695 -2.228 -11.235 96 H LYS 13 HN LYS 13 -5.845 -5.937 -8.753 97 HA LYS 13 HA LYS 13 -8.538 -5.501 -9.601 98 HB2 LYS 13 HB2 LYS 13 -7.634 -7.865 -7.970 99 HB3 LYS 13 HB1 LYS 13 -8.827 -7.806 -9.259 100 HG2 LYS 13 HG2 LYS 13 -5.835 -7.567 -9.623 101 HG3 LYS 13 HG1 LYS 13 -6.810 -8.997 -9.924 102 HD2 LYS 13 HD2 LYS 13 -7.884 -8.000 -11.775 103 HD3 LYS 13 HD1 LYS 13 -7.324 -6.388 -11.319 104 HE2 LYS 13 HE2 LYS 13 -6.056 -7.342 -13.227 105 HE3 LYS 13 HE1 LYS 13 -5.053 -6.968 -11.827 106 HZ1 LYS 13 HZ1 LYS 13 -5.994 -9.664 -12.663 107 HZ2 LYS 13 HZ2 LYS 13 -5.183 -9.331 -11.229 108 HZ3 LYS 13 HZ3 LYS 13 -4.401 -9.088 -12.676 109 H GLU 14 HN GLU 14 -6.794 -5.562 -6.643 110 HA GLU 14 HA GLU 14 -8.871 -5.975 -4.854 111 HB2 GLU 14 HB2 GLU 14 -6.185 -4.758 -4.563 112 HB3 GLU 14 HB1 GLU 14 -7.245 -5.029 -3.175 113 HG2 GLU 14 HG2 GLU 14 -7.321 -7.463 -3.886 114 HG3 GLU 14 HG1 GLU 14 -6.077 -7.079 -5.065 115 H TRP 15 HN TRP 15 -7.467 -2.868 -5.990 116 HA TRP 15 HA TRP 15 -9.254 -1.490 -4.227 117 HB2 TRP 15 HB2 TRP 15 -8.487 0.607 -5.059 118 HB3 TRP 15 HB1 TRP 15 -7.082 -0.432 -5.147 119 HD1 TRP 15 HD1 TRP 15 -9.837 0.956 -7.555 120 HE1 TRP 15 HE1 TRP 15 -8.755 1.355 -9.853 121 HE3 TRP 15 HE3 TRP 15 -5.128 -0.780 -6.598 122 HZ2 TRP 15 HZ2 TRP 15 -6.303 1.040 -11.081 123 HZ3 TRP 15 HZ3 TRP 15 -3.476 -0.664 -8.402 124 HH2 TRP 15 HH2 TRP 15 -4.049 0.224 -10.597 125 H ARG 16 HN ARG 16 -9.495 -2.826 -7.304 126 HA ARG 16 HA ARG 16 -11.714 -1.217 -8.136 127 HB2 ARG 16 HB2 ARG 16 -10.691 -3.773 -9.367 128 HB3 ARG 16 HB1 ARG 16 -11.782 -2.609 -10.117 129 HG2 ARG 16 HG2 ARG 16 -9.992 -0.883 -9.889 130 HG3 ARG 16 HG1 ARG 16 -8.950 -2.138 -9.279 131 HD2 ARG 16 HD2 ARG 16 -8.468 -1.755 -11.566 132 HD3 ARG 16 HD1 ARG 16 -9.141 -3.371 -11.367 133 HE ARG 16 HE ARG 16 -11.299 -1.866 -12.007 134 HH11 ARG 16 HH11 ARG 16 -8.169 -2.374 -13.553 135 HH12 ARG 16 HH12 ARG 16 -8.670 -1.907 -15.108 136 HH21 ARG 16 HH21 ARG 16 -12.033 -1.282 -14.160 137 HH22 ARG 16 HH22 ARG 16 -10.938 -1.268 -15.466 138 H LYS 17 HN LYS 17 -11.413 -4.058 -6.251 139 HA LYS 17 HA LYS 17 -14.202 -4.722 -6.698 140 HB2 LYS 17 HB2 LYS 17 -13.743 -6.742 -5.248 141 HB3 LYS 17 HB1 LYS 17 -12.833 -6.667 -6.741 142 HG2 LYS 17 HG2 LYS 17 -11.265 -7.414 -5.184 143 HG3 LYS 17 HG1 LYS 17 -10.932 -5.700 -5.323 144 HD2 LYS 17 HD2 LYS 17 -10.825 -6.195 -3.008 145 HD3 LYS 17 HD1 LYS 17 -12.369 -5.383 -3.250 146 HE2 LYS 17 HE2 LYS 17 -12.680 -7.270 -1.775 147 HE3 LYS 17 HE1 LYS 17 -13.479 -7.600 -3.309 148 HZ1 LYS 17 HZ1 LYS 17 -10.814 -8.661 -2.496 149 HZ2 LYS 17 HZ2 LYS 17 -11.583 -8.987 -3.952 150 HZ3 LYS 17 HZ3 LYS 17 -12.256 -9.526 -2.517 151 H LEU 18 HN LEU 18 -12.572 -2.692 -4.680 152 HA LEU 18 HA LEU 18 -14.522 -3.102 -2.564 153 HB2 LEU 18 HB2 LEU 18 -13.014 -1.718 -1.115 154 HB3 LEU 18 HB1 LEU 18 -12.383 -3.266 -1.612 155 HG LEU 18 HG LEU 18 -11.066 -2.005 -3.384 156 HD11 LEU 18 HD11 LEU 18 -12.254 0.107 -3.347 157 HD12 LEU 18 HD12 LEU 18 -10.551 0.332 -2.941 158 HD13 LEU 18 HD13 LEU 18 -11.772 0.354 -1.668 159 HD21 LEU 18 HD21 LEU 18 -10.471 -1.548 -0.478 160 HD22 LEU 18 HD22 LEU 18 -9.332 -1.354 -1.813 161 HD23 LEU 18 HD23 LEU 18 -10.005 -2.946 -1.459 162 H GLY 19 HN GLY 19 -15.051 -1.026 -1.327 163 HA2 GLY 19 HA2 GLY 19 -16.713 0.526 -2.927 164 HA3 GLY 19 HA1 GLY 19 -16.252 0.908 -1.279 165 H SER 20 HN SER 20 -16.634 2.486 -3.809 166 HA SER 20 HA SER 20 -14.227 3.440 -4.798 167 HB2 SER 20 HB2 SER 20 -16.902 4.829 -4.679 168 HB3 SER 20 HB1 SER 20 -15.581 5.168 -5.801 169 HG SER 20 HG SER 20 -16.762 3.836 -6.940 170 H THR 21 HN THR 21 -16.177 4.529 -2.024 171 HA THR 21 HA THR 21 -14.899 6.987 -1.597 172 HB THR 21 HB THR 21 -16.182 5.141 0.428 173 HG1 THR 21 HG1 THR 21 -17.186 6.893 -1.527 174 HG21 THR 21 HG21 THR 21 -15.815 8.150 0.458 175 HG22 THR 21 HG22 THR 21 -14.923 7.008 1.455 176 HG23 THR 21 HG23 THR 21 -16.661 7.208 1.687 177 H VAL 22 HN VAL 22 -13.992 3.745 -0.798 178 HA VAL 22 HA VAL 22 -12.008 4.338 1.145 179 HB VAL 22 HB VAL 22 -12.339 1.874 -0.582 180 HG11 VAL 22 HG11 VAL 22 -10.093 2.028 0.319 181 HG12 VAL 22 HG12 VAL 22 -10.986 0.732 1.116 182 HG13 VAL 22 HG13 VAL 22 -10.740 2.270 1.940 183 HG21 VAL 22 HG21 VAL 22 -13.419 0.869 1.378 184 HG22 VAL 22 HG22 VAL 22 -14.309 2.278 0.798 185 HG23 VAL 22 HG23 VAL 22 -13.289 2.405 2.232 186 H ARG 23 HN ARG 23 -11.934 3.575 -2.330 187 HA ARG 23 HA ARG 23 -9.119 3.641 -2.522 188 HB2 ARG 23 HB2 ARG 23 -9.345 3.537 -4.916 189 HB3 ARG 23 HB1 ARG 23 -10.610 2.539 -4.226 190 HG2 ARG 23 HG2 ARG 23 -12.199 4.402 -4.575 191 HG3 ARG 23 HG1 ARG 23 -10.906 5.307 -5.355 192 HD2 ARG 23 HD2 ARG 23 -10.694 3.463 -7.009 193 HD3 ARG 23 HD1 ARG 23 -12.104 2.699 -6.270 194 HE ARG 23 HE ARG 23 -12.330 5.446 -7.204 195 HH11 ARG 23 HH11 ARG 23 -13.310 2.060 -7.637 196 HH12 ARG 23 HH12 ARG 23 -14.485 2.418 -8.792 197 HH21 ARG 23 HH21 ARG 23 -13.923 5.908 -8.751 198 HH22 ARG 23 HH22 ARG 23 -14.858 4.672 -9.468 199 H GLU 24 HN GLU 24 -11.508 6.154 -2.710 200 HA GLU 24 HA GLU 24 -9.905 8.221 -3.751 201 HB2 GLU 24 HB2 GLU 24 -12.146 8.374 -1.748 202 HB3 GLU 24 HB1 GLU 24 -11.485 9.739 -2.629 203 HG2 GLU 24 HG2 GLU 24 -12.262 8.728 -4.724 204 HG3 GLU 24 HG1 GLU 24 -12.943 7.384 -3.807 205 H GLN 25 HN GLN 25 -10.599 7.205 -0.425 206 HA GLN 25 HA GLN 25 -8.996 9.125 0.869 207 HB2 GLN 25 HB2 GLN 25 -9.778 6.365 1.804 208 HB3 GLN 25 HB1 GLN 25 -9.060 7.609 2.812 209 HG2 GLN 25 HG2 GLN 25 -11.060 9.039 2.348 210 HG3 GLN 25 HG1 GLN 25 -11.725 7.639 1.484 211 HE21 GLN 25 HE21 GLN 25 -12.544 5.954 2.582 212 HE22 GLN 25 HE22 GLN 25 -12.730 5.941 4.291 213 H LEU 26 HN LEU 26 -8.312 5.969 -0.423 214 HA LEU 26 HA LEU 26 -5.733 5.633 0.621 215 HB2 LEU 26 HB2 LEU 26 -6.867 4.609 -1.978 216 HB3 LEU 26 HB1 LEU 26 -5.383 4.050 -1.241 217 HG LEU 26 HG LEU 26 -8.161 3.724 -0.106 218 HD11 LEU 26 HD11 LEU 26 -6.250 1.712 -1.258 219 HD12 LEU 26 HD12 LEU 26 -7.707 2.298 -2.042 220 HD13 LEU 26 HD13 LEU 26 -7.822 1.359 -0.553 221 HD21 LEU 26 HD21 LEU 26 -5.489 2.782 0.938 222 HD22 LEU 26 HD22 LEU 26 -7.057 2.284 1.567 223 HD23 LEU 26 HD23 LEU 26 -6.555 3.969 1.697 224 H LYS 27 HN LYS 27 -6.898 7.240 -2.285 225 HA LYS 27 HA LYS 27 -4.362 7.801 -3.386 226 HB2 LYS 27 HB2 LYS 27 -6.981 9.252 -3.759 227 HB3 LYS 27 HB1 LYS 27 -5.523 9.564 -4.693 228 HG2 LYS 27 HG2 LYS 27 -5.570 7.269 -5.537 229 HG3 LYS 27 HG1 LYS 27 -7.026 6.955 -4.590 230 HD2 LYS 27 HD2 LYS 27 -7.586 7.412 -6.921 231 HD3 LYS 27 HD1 LYS 27 -8.221 8.679 -5.871 232 HE2 LYS 27 HE2 LYS 27 -6.375 10.139 -6.472 233 HE3 LYS 27 HE1 LYS 27 -5.647 8.859 -7.442 234 HZ1 LYS 27 HZ1 LYS 27 -7.610 8.923 -8.866 235 HZ2 LYS 27 HZ2 LYS 27 -6.797 10.387 -8.830 236 HZ3 LYS 27 HZ3 LYS 27 -8.237 10.213 -7.967 237 H LYS 28 HN LYS 28 -6.177 9.350 -0.891 238 HA LYS 28 HA LYS 28 -4.724 11.810 -0.833 239 HB2 LYS 28 HB2 LYS 28 -6.513 10.380 1.100 240 HB3 LYS 28 HB1 LYS 28 -5.508 11.666 1.711 241 HG2 LYS 28 HG2 LYS 28 -7.784 12.431 1.279 242 HG3 LYS 28 HG1 LYS 28 -6.652 13.275 0.251 243 HD2 LYS 28 HD2 LYS 28 -8.197 10.885 -0.730 244 HD3 LYS 28 HD1 LYS 28 -8.910 12.492 -0.735 245 HE2 LYS 28 HE2 LYS 28 -6.382 11.646 -2.168 246 HE3 LYS 28 HE1 LYS 28 -7.950 11.908 -2.920 247 HZ1 LYS 28 HZ1 LYS 28 -6.329 14.009 -1.556 248 HZ2 LYS 28 HZ2 LYS 28 -7.809 14.245 -2.322 249 HZ3 LYS 28 HZ3 LYS 28 -6.463 13.785 -3.216 250 H LYS 29 HN LYS 29 -4.361 8.722 0.783 251 HA LYS 29 HA LYS 29 -2.098 9.613 2.274 252 HB2 LYS 29 HB2 LYS 29 -3.476 6.977 2.001 253 HB3 LYS 29 HB1 LYS 29 -1.860 7.028 2.696 254 HG2 LYS 29 HG2 LYS 29 -3.604 7.099 4.425 255 HG3 LYS 29 HG1 LYS 29 -2.617 8.559 4.421 256 HD2 LYS 29 HD2 LYS 29 -4.450 9.576 2.965 257 HD3 LYS 29 HD1 LYS 29 -5.426 8.182 3.425 258 HE2 LYS 29 HE2 LYS 29 -5.838 10.120 4.818 259 HE3 LYS 29 HE1 LYS 29 -5.190 8.760 5.751 260 HZ1 LYS 29 HZ1 LYS 29 -4.159 10.948 6.306 261 HZ2 LYS 29 HZ2 LYS 29 -3.502 11.027 4.755 262 HZ3 LYS 29 HZ3 LYS 29 -3.058 9.805 5.800 263 H LEU 30 HN LEU 30 -2.598 8.159 -0.704 264 HA LEU 30 HA LEU 30 0.116 7.374 -1.076 265 HB2 LEU 30 HB2 LEU 30 -2.085 7.731 -3.095 266 HB3 LEU 30 HB1 LEU 30 -0.484 7.139 -3.490 267 HG LEU 30 HG LEU 30 -2.427 5.780 -1.618 268 HD11 LEU 30 HD11 LEU 30 -1.624 5.097 -4.440 269 HD12 LEU 30 HD12 LEU 30 -3.198 5.701 -3.919 270 HD13 LEU 30 HD13 LEU 30 -2.644 4.115 -3.387 271 HD21 LEU 30 HD21 LEU 30 -0.117 5.300 -1.015 272 HD22 LEU 30 HD22 LEU 30 0.257 4.903 -2.689 273 HD23 LEU 30 HD23 LEU 30 -0.851 3.886 -1.771 274 H VAL 31 HN VAL 31 -1.733 10.268 -1.852 275 HA VAL 31 HA VAL 31 0.313 11.359 -3.478 276 HB VAL 31 HB VAL 31 -2.116 12.085 -3.532 277 HG11 VAL 31 HG11 VAL 31 -2.551 12.419 -1.207 278 HG12 VAL 31 HG12 VAL 31 -2.835 13.918 -2.094 279 HG13 VAL 31 HG13 VAL 31 -1.366 13.723 -1.137 280 HG21 VAL 31 HG21 VAL 31 -0.455 13.297 -4.788 281 HG22 VAL 31 HG22 VAL 31 -0.040 14.257 -3.368 282 HG23 VAL 31 HG23 VAL 31 -1.636 14.415 -4.109 283 H GLU 32 HN GLU 32 -0.093 11.211 -0.038 284 HA GLU 32 HA GLU 32 1.858 13.329 0.310 285 HB2 GLU 32 HB2 GLU 32 1.477 12.984 2.738 286 HB3 GLU 32 HB1 GLU 32 -0.018 13.309 1.876 287 HG2 GLU 32 HG2 GLU 32 -0.552 10.936 1.892 288 HG3 GLU 32 HG1 GLU 32 0.951 10.596 2.742 289 H VAL 33 HN VAL 33 1.564 9.930 0.157 290 HA VAL 33 HA VAL 33 3.912 9.332 1.640 291 HB VAL 33 HB VAL 33 1.733 7.918 1.157 292 HG11 VAL 33 HG11 VAL 33 2.021 6.110 -0.420 293 HG12 VAL 33 HG12 VAL 33 3.555 6.801 -0.934 294 HG13 VAL 33 HG13 VAL 33 2.065 7.676 -1.247 295 HG21 VAL 33 HG21 VAL 33 2.888 5.944 1.844 296 HG22 VAL 33 HG22 VAL 33 3.395 7.405 2.719 297 HG23 VAL 33 HG23 VAL 33 4.426 6.719 1.437 298 H LEU 34 HN LEU 34 3.122 9.862 -1.709 299 HA LEU 34 HA LEU 34 5.502 8.755 -2.784 300 HB2 LEU 34 HB2 LEU 34 3.610 10.791 -3.965 301 HB3 LEU 34 HB1 LEU 34 4.913 10.024 -4.851 302 HG LEU 34 HG LEU 34 2.560 8.563 -3.644 303 HD11 LEU 34 HD11 LEU 34 3.154 9.283 -6.509 304 HD12 LEU 34 HD12 LEU 34 1.889 10.010 -5.513 305 HD13 LEU 34 HD13 LEU 34 1.798 8.300 -5.952 306 HD21 LEU 34 HD21 LEU 34 4.543 7.184 -3.825 307 HD22 LEU 34 HD22 LEU 34 4.727 7.648 -5.515 308 HD23 LEU 34 HD23 LEU 34 3.333 6.694 -5.006 309 H GLU 35 HN GLU 35 5.089 11.409 -0.948 310 HA GLU 35 HA GLU 35 7.561 12.577 -1.966 311 HB2 GLU 35 HB2 GLU 35 5.667 14.158 -1.810 312 HB3 GLU 35 HB1 GLU 35 5.505 13.783 -0.104 313 HG2 GLU 35 HG2 GLU 35 6.616 15.934 -0.516 314 HG3 GLU 35 HG1 GLU 35 7.622 14.804 0.381 315 H SER 36 HN SER 36 5.987 11.293 0.926 316 HA SER 36 HA SER 36 8.606 10.820 2.081 317 HB2 SER 36 HB2 SER 36 6.425 12.279 3.612 318 HB3 SER 36 HB1 SER 36 7.976 11.771 4.269 319 HG SER 36 HG SER 36 7.725 14.025 3.531 320 HA PRO 37 HA PRO 37 5.814 7.273 2.818 321 HB2 PRO 37 HB2 PRO 37 7.243 5.396 1.667 322 HB3 PRO 37 HB1 PRO 37 6.401 6.602 0.683 323 HG2 PRO 37 HG2 PRO 37 9.296 6.432 1.400 324 HG3 PRO 37 HG1 PRO 37 8.550 6.893 -0.138 325 HD2 PRO 37 HD2 PRO 37 9.489 8.682 1.783 326 HD3 PRO 37 HD1 PRO 37 8.350 9.064 0.494 327 H ARG 38 HN ARG 38 8.497 8.223 4.460 328 HA ARG 38 HA ARG 38 8.894 5.549 5.564 329 HB2 ARG 38 HB2 ARG 38 10.713 7.926 5.888 330 HB3 ARG 38 HB1 ARG 38 10.988 6.324 6.545 331 HG2 ARG 38 HG2 ARG 38 11.028 5.444 4.236 332 HG3 ARG 38 HG1 ARG 38 10.899 7.103 3.650 333 HD2 ARG 38 HD2 ARG 38 13.088 5.998 5.390 334 HD3 ARG 38 HD1 ARG 38 13.207 6.335 3.668 335 HE ARG 38 HE ARG 38 12.433 8.676 5.006 336 HH11 ARG 38 HH11 ARG 38 15.212 6.557 4.595 337 HH12 ARG 38 HH12 ARG 38 16.384 7.740 4.911 338 HH21 ARG 38 HH21 ARG 38 14.052 10.377 5.457 339 HH22 ARG 38 HH22 ARG 38 15.698 9.973 5.421 340 H ILE 39 HN ILE 39 7.135 5.479 6.805 341 HA ILE 39 HA ILE 39 7.191 7.265 9.141 342 HB ILE 39 HB ILE 39 4.843 5.537 8.248 343 HG12 ILE 39 HG12 ILE 39 5.168 8.521 8.018 344 HG13 ILE 39 HG11 ILE 39 5.439 7.414 6.662 345 HG21 ILE 39 HG21 ILE 39 3.583 6.881 9.878 346 HG22 ILE 39 HG22 ILE 39 5.047 7.773 10.282 347 HG23 ILE 39 HG23 ILE 39 4.929 6.056 10.666 348 HD11 ILE 39 HD11 ILE 39 3.074 6.756 6.823 349 HD12 ILE 39 HD12 ILE 39 3.284 8.476 6.507 350 HD13 ILE 39 HD13 ILE 39 2.857 7.922 8.131 351 H GLU 40 HN GLU 40 8.331 6.386 10.675 352 HA GLU 40 HA GLU 40 8.930 3.602 10.942 353 HB2 GLU 40 HB2 GLU 40 10.163 4.203 12.906 354 HB3 GLU 40 HB1 GLU 40 10.427 5.456 11.713 355 HG2 GLU 40 HG2 GLU 40 8.572 5.641 14.086 356 HG3 GLU 40 HG1 GLU 40 10.171 6.361 13.981 357 H ALA 41 HN ALA 41 6.450 5.557 12.179 358 HA ALA 41 HA ALA 41 5.616 3.781 14.244 359 HB1 ALA 41 HB1 ALA 41 3.608 5.166 14.367 360 HB2 ALA 41 HB2 ALA 41 4.054 5.960 12.857 361 HB3 ALA 41 HB3 ALA 41 5.058 6.166 14.289 362 H ASN 42 HN ASN 42 5.285 3.735 10.830 363 HA ASN 42 HA ASN 42 2.966 1.924 11.007 364 HB2 ASN 42 HB2 ASN 42 4.043 3.357 8.574 365 HB3 ASN 42 HB1 ASN 42 2.656 2.290 8.603 366 HD21 ASN 42 HD21 ASN 42 1.794 3.545 11.234 367 HD22 ASN 42 HD22 ASN 42 1.160 5.077 10.732 368 H LYS 43 HN LYS 43 6.075 1.591 11.224 369 HA LYS 43 HA LYS 43 6.809 0.027 8.988 370 HB2 LYS 43 HB2 LYS 43 8.769 -0.653 10.249 371 HB3 LYS 43 HB1 LYS 43 8.447 1.061 10.506 372 HG2 LYS 43 HG2 LYS 43 7.529 0.619 12.672 373 HG3 LYS 43 HG1 LYS 43 7.720 -1.122 12.436 374 HD2 LYS 43 HD2 LYS 43 10.122 -0.865 12.302 375 HD3 LYS 43 HD1 LYS 43 9.968 0.885 12.432 376 HE2 LYS 43 HE2 LYS 43 9.087 -1.082 14.537 377 HE3 LYS 43 HE1 LYS 43 10.612 -0.190 14.544 378 HZ1 LYS 43 HZ1 LYS 43 7.918 1.079 14.592 379 HZ2 LYS 43 HZ2 LYS 43 9.413 1.857 14.673 380 HZ3 LYS 43 HZ3 LYS 43 8.928 0.855 15.923 381 H LEU 44 HN LEU 44 6.756 -2.085 8.581 382 HA LEU 44 HA LEU 44 4.607 -3.425 9.887 383 HB2 LEU 44 HB2 LEU 44 5.176 -3.282 7.373 384 HB3 LEU 44 HB1 LEU 44 6.350 -4.527 7.726 385 HG LEU 44 HG LEU 44 4.530 -6.024 8.464 386 HD11 LEU 44 HD11 LEU 44 2.951 -4.328 9.235 387 HD12 LEU 44 HD12 LEU 44 2.205 -5.351 8.018 388 HD13 LEU 44 HD13 LEU 44 2.770 -3.743 7.584 389 HD21 LEU 44 HD21 LEU 44 4.103 -4.818 5.727 390 HD22 LEU 44 HD22 LEU 44 3.567 -6.415 6.251 391 HD23 LEU 44 HD23 LEU 44 5.289 -6.059 6.129 392 H ARG 45 HN ARG 45 4.806 -5.644 10.619 393 HA ARG 45 HA ARG 45 6.906 -5.844 12.559 394 HB2 ARG 45 HB2 ARG 45 4.516 -6.393 12.990 395 HB3 ARG 45 HB1 ARG 45 4.677 -7.784 11.944 396 HG2 ARG 45 HG2 ARG 45 6.278 -8.773 13.483 397 HG3 ARG 45 HG1 ARG 45 6.173 -7.354 14.535 398 HD2 ARG 45 HD2 ARG 45 3.671 -7.808 14.653 399 HD3 ARG 45 HD1 ARG 45 4.007 -9.346 13.873 400 HE ARG 45 HE ARG 45 5.682 -9.179 16.052 401 HH11 ARG 45 HH11 ARG 45 2.195 -9.238 15.491 402 HH12 ARG 45 HH12 ARG 45 1.765 -9.976 16.960 403 HH21 ARG 45 HH21 ARG 45 5.142 -10.189 18.167 404 HH22 ARG 45 HH22 ARG 45 3.530 -10.493 18.550 405 H GLY 46 HN GLY 46 8.722 -6.085 11.135 406 HA2 GLY 46 HA2 GLY 46 10.357 -7.904 10.919 407 HA3 GLY 46 HA1 GLY 46 9.064 -8.878 10.237 408 H MET 47 HN MET 47 8.689 -5.815 9.083 409 HA MET 47 HA MET 47 10.443 -6.239 6.783 410 HB2 MET 47 HB2 MET 47 7.479 -5.651 6.680 411 HB3 MET 47 HB1 MET 47 8.547 -5.437 5.304 412 HG2 MET 47 HG2 MET 47 8.031 -8.031 6.735 413 HG3 MET 47 HG1 MET 47 7.260 -7.522 5.235 414 HE1 MET 47 HE1 MET 47 7.982 -9.795 4.113 415 HE2 MET 47 HE2 MET 47 8.772 -10.306 5.604 416 HE3 MET 47 HE3 MET 47 9.642 -10.392 4.071 417 HA PRO 48 HA PRO 48 11.148 -2.056 8.391 418 HB2 PRO 48 HB2 PRO 48 13.464 -2.158 6.576 419 HB3 PRO 48 HB1 PRO 48 13.413 -1.901 8.325 420 HG2 PRO 48 HG2 PRO 48 14.328 -4.192 7.302 421 HG3 PRO 48 HG1 PRO 48 13.374 -4.160 8.794 422 HD2 PRO 48 HD2 PRO 48 12.499 -4.848 6.010 423 HD3 PRO 48 HD1 PRO 48 12.144 -5.666 7.552 424 H ASP 49 HN ASP 49 11.134 -2.945 4.953 425 HA ASP 49 HA ASP 49 10.851 -0.112 4.226 426 HB2 ASP 49 HB2 ASP 49 11.221 -2.533 2.439 427 HB3 ASP 49 HB1 ASP 49 10.960 -0.905 1.849 428 H CYS 50 HN CYS 50 8.895 -2.501 5.137 429 HA CYS 50 HA CYS 50 6.771 -1.737 3.274 430 HB2 CYS 50 HB2 CYS 50 6.839 -4.052 5.212 431 HB3 CYS 50 HB1 CYS 50 5.609 -3.736 3.998 432 HG CYS 50 HG CYS 50 7.357 -4.147 1.822 433 H TYR 51 HN TYR 51 5.079 -0.623 3.998 434 HA TYR 51 HA TYR 51 4.862 -0.208 6.880 435 HB2 TYR 51 HB2 TYR 51 4.632 1.988 4.797 436 HB3 TYR 51 HB1 TYR 51 4.414 2.169 6.539 437 HD1 TYR 51 HD2 TYR 51 6.385 1.741 8.041 438 HD2 TYR 51 HD1 TYR 51 6.780 2.139 3.843 439 HE1 TYR 51 HE2 TYR 51 8.799 2.128 8.313 440 HE2 TYR 51 HE1 TYR 51 9.199 2.521 4.098 441 HH TYR 51 HH TYR 51 10.811 1.721 6.790 442 H LYS 52 HN LYS 52 2.780 0.416 7.555 443 HA LYS 52 HA LYS 52 0.702 -0.481 5.719 444 HB2 LYS 52 HB2 LYS 52 -0.469 -1.372 7.807 445 HB3 LYS 52 HB1 LYS 52 0.941 -2.250 7.259 446 HG2 LYS 52 HG2 LYS 52 1.200 -2.190 9.586 447 HG3 LYS 52 HG1 LYS 52 2.252 -0.901 9.022 448 HD2 LYS 52 HD2 LYS 52 1.124 -0.019 10.893 449 HD3 LYS 52 HD1 LYS 52 0.297 0.674 9.501 450 HE2 LYS 52 HE2 LYS 52 -1.390 -0.020 11.025 451 HE3 LYS 52 HE1 LYS 52 -1.387 -1.191 9.712 452 HZ1 LYS 52 HZ1 LYS 52 0.111 -2.599 11.266 453 HZ2 LYS 52 HZ2 LYS 52 -1.521 -2.442 11.629 454 HZ3 LYS 52 HZ3 LYS 52 -0.410 -1.529 12.479 455 H ILE 53 HN ILE 53 -1.095 0.685 5.518 456 HA ILE 53 HA ILE 53 -1.508 2.942 7.340 457 HB ILE 53 HB ILE 53 -2.041 2.960 4.338 458 HG12 ILE 53 HG12 ILE 53 0.162 4.367 5.888 459 HG13 ILE 53 HG11 ILE 53 0.365 3.010 4.794 460 HG21 ILE 53 HG21 ILE 53 -2.528 5.349 4.675 461 HG22 ILE 53 HG22 ILE 53 -2.196 5.138 6.409 462 HG23 ILE 53 HG23 ILE 53 -3.561 4.319 5.689 463 HD11 ILE 53 HD11 ILE 53 -0.368 4.371 2.916 464 HD12 ILE 53 HD12 ILE 53 0.998 5.135 3.742 465 HD13 ILE 53 HD13 ILE 53 -0.637 5.737 3.998 466 H LYS 54 HN LYS 54 -3.818 3.474 7.533 467 HA LYS 54 HA LYS 54 -5.697 1.591 6.406 468 HB2 LYS 54 HB2 LYS 54 -6.590 1.027 8.605 469 HB3 LYS 54 HB1 LYS 54 -4.927 0.476 8.423 470 HG2 LYS 54 HG2 LYS 54 -4.202 2.549 9.614 471 HG3 LYS 54 HG1 LYS 54 -5.901 2.870 9.955 472 HD2 LYS 54 HD2 LYS 54 -4.377 0.428 10.703 473 HD3 LYS 54 HD1 LYS 54 -4.722 1.780 11.782 474 HE2 LYS 54 HE2 LYS 54 -6.783 -0.047 10.483 475 HE3 LYS 54 HE1 LYS 54 -6.301 -0.072 12.173 476 HZ1 LYS 54 HZ1 LYS 54 -7.760 2.164 10.816 477 HZ2 LYS 54 HZ2 LYS 54 -7.166 2.176 12.406 478 HZ3 LYS 54 HZ3 LYS 54 -8.339 1.077 11.974 479 H LEU 55 HN LEU 55 -7.891 2.270 6.955 480 HA LEU 55 HA LEU 55 -8.024 5.153 7.273 481 HB2 LEU 55 HB2 LEU 55 -10.109 3.186 6.309 482 HB3 LEU 55 HB1 LEU 55 -10.438 4.876 6.580 483 HG LEU 55 HG LEU 55 -10.186 4.722 4.293 484 HD11 LEU 55 HD11 LEU 55 -7.499 5.574 5.309 485 HD12 LEU 55 HD12 LEU 55 -8.939 6.575 5.118 486 HD13 LEU 55 HD13 LEU 55 -8.141 5.891 3.700 487 HD21 LEU 55 HD21 LEU 55 -8.397 3.572 3.119 488 HD22 LEU 55 HD22 LEU 55 -9.306 2.458 4.147 489 HD23 LEU 55 HD23 LEU 55 -7.715 3.032 4.655 490 H ARG 56 HN ARG 56 -9.959 5.895 8.498 491 HA ARG 56 HA ARG 56 -9.991 4.448 11.043 492 HB2 ARG 56 HB2 ARG 56 -10.758 7.305 10.418 493 HB3 ARG 56 HB1 ARG 56 -10.673 6.590 12.020 494 HG2 ARG 56 HG2 ARG 56 -8.339 7.033 10.151 495 HG3 ARG 56 HG1 ARG 56 -8.751 8.034 11.537 496 HD2 ARG 56 HD2 ARG 56 -7.941 5.120 11.620 497 HD3 ARG 56 HD1 ARG 56 -6.929 6.491 12.068 498 HE ARG 56 HE ARG 56 -9.433 6.239 13.497 499 HH11 ARG 56 HH11 ARG 56 -5.937 5.594 13.577 500 HH12 ARG 56 HH12 ARG 56 -5.919 5.339 15.258 501 HH21 ARG 56 HH21 ARG 56 -9.361 5.928 15.743 502 HH22 ARG 56 HH22 ARG 56 -7.884 5.540 16.519 503 H SER 57 HN SER 57 -11.996 5.648 8.420 504 HA SER 57 HA SER 57 -14.434 5.317 9.844 505 HB2 SER 57 HB2 SER 57 -15.380 5.883 7.549 506 HB3 SER 57 HB1 SER 57 -14.373 7.105 8.327 507 HG SER 57 HG SER 57 -13.630 6.959 6.308 508 H SER 58 HN SER 58 -13.397 3.876 6.748 509 HA SER 58 HA SER 58 -15.377 1.852 6.963 510 HB2 SER 58 HB2 SER 58 -14.309 1.148 4.753 511 HB3 SER 58 HB1 SER 58 -15.055 2.737 4.840 512 HG SER 58 HG SER 58 -13.247 3.340 4.105 513 H GLY 59 HN GLY 59 -12.105 1.996 7.891 514 HA2 GLY 59 HA2 GLY 59 -10.843 0.402 9.018 515 HA3 GLY 59 HA1 GLY 59 -12.224 -0.683 8.915 516 H TYR 60 HN TYR 60 -10.949 0.746 6.065 517 HA TYR 60 HA TYR 60 -9.865 -1.818 5.178 518 HB2 TYR 60 HB2 TYR 60 -10.577 0.748 3.777 519 HB3 TYR 60 HB1 TYR 60 -9.574 -0.466 2.985 520 HD1 TYR 60 HD1 TYR 60 -12.800 -0.191 4.833 521 HD2 TYR 60 HD2 TYR 60 -10.658 -2.011 1.661 522 HE1 TYR 60 HE1 TYR 60 -14.846 -1.356 4.136 523 HE2 TYR 60 HE2 TYR 60 -12.694 -3.182 0.945 524 HH TYR 60 HH TYR 60 -15.747 -2.372 2.074 525 H ARG 61 HN ARG 61 -7.762 -1.372 3.682 526 HA ARG 61 HA ARG 61 -5.973 0.475 4.924 527 HB2 ARG 61 HB2 ARG 61 -4.442 -1.227 5.747 528 HB3 ARG 61 HB1 ARG 61 -5.994 -1.340 6.562 529 HG2 ARG 61 HG2 ARG 61 -6.612 -3.215 5.119 530 HG3 ARG 61 HG1 ARG 61 -5.048 -3.104 4.318 531 HD2 ARG 61 HD2 ARG 61 -5.048 -4.839 5.953 532 HD3 ARG 61 HD1 ARG 61 -3.933 -3.551 6.421 533 HE ARG 61 HE ARG 61 -6.653 -3.632 7.557 534 HH11 ARG 61 HH11 ARG 61 -3.150 -3.717 8.103 535 HH12 ARG 61 HH12 ARG 61 -3.322 -3.596 9.807 536 HH21 ARG 61 HH21 ARG 61 -6.810 -3.511 9.877 537 HH22 ARG 61 HH22 ARG 61 -5.382 -3.548 10.828 538 H LEU 62 HN LEU 62 -3.741 0.046 4.095 539 HA LEU 62 HA LEU 62 -3.565 -1.251 1.538 540 HB2 LEU 62 HB2 LEU 62 -4.348 1.034 1.016 541 HB3 LEU 62 HB1 LEU 62 -3.063 1.714 1.978 542 HG LEU 62 HG LEU 62 -2.462 0.094 -0.505 543 HD11 LEU 62 HD11 LEU 62 -2.413 2.199 -1.747 544 HD12 LEU 62 HD12 LEU 62 -3.014 3.062 -0.329 545 HD13 LEU 62 HD13 LEU 62 -4.034 1.871 -1.139 546 HD21 LEU 62 HD21 LEU 62 -0.435 1.479 -0.538 547 HD22 LEU 62 HD22 LEU 62 -0.580 0.618 0.994 548 HD23 LEU 62 HD23 LEU 62 -0.989 2.332 0.905 549 H VAL 63 HN VAL 63 -1.557 -2.072 1.302 550 HA VAL 63 HA VAL 63 0.431 -1.476 3.406 551 HB VAL 63 HB VAL 63 0.127 -4.109 1.966 552 HG11 VAL 63 HG11 VAL 63 1.341 -5.032 3.885 553 HG12 VAL 63 HG12 VAL 63 1.489 -3.404 4.547 554 HG13 VAL 63 HG13 VAL 63 2.257 -3.804 3.006 555 HG21 VAL 63 HG21 VAL 63 -1.242 -3.311 4.530 556 HG22 VAL 63 HG22 VAL 63 -0.993 -4.970 4.044 557 HG23 VAL 63 HG23 VAL 63 -1.978 -3.903 3.032 558 H TYR 64 HN TYR 64 2.446 -0.944 2.553 559 HA TYR 64 HA TYR 64 2.886 -1.565 -0.269 560 HB2 TYR 64 HB2 TYR 64 3.560 0.716 -0.809 561 HB3 TYR 64 HB1 TYR 64 1.907 0.701 -0.213 562 HD1 TYR 64 HD2 TYR 64 1.488 1.444 2.176 563 HD2 TYR 64 HD1 TYR 64 5.225 2.036 0.229 564 HE1 TYR 64 HE2 TYR 64 2.084 3.154 3.829 565 HE2 TYR 64 HE1 TYR 64 5.815 3.742 1.886 566 HH TYR 64 HH TYR 64 4.122 4.175 4.766 567 H GLN 65 HN GLN 65 5.138 -0.856 -0.907 568 HA GLN 65 HA GLN 65 7.065 -1.192 1.252 569 HB2 GLN 65 HB2 GLN 65 6.797 -3.324 0.091 570 HB3 GLN 65 HB1 GLN 65 7.004 -2.523 -1.457 571 HG2 GLN 65 HG2 GLN 65 9.299 -1.902 -0.766 572 HG3 GLN 65 HG1 GLN 65 9.071 -2.870 0.692 573 HE21 GLN 65 HE21 GLN 65 9.347 -2.913 -2.726 574 HE22 GLN 65 HE22 GLN 65 9.723 -4.587 -2.904 575 H VAL 66 HN VAL 66 8.655 0.251 1.103 576 HA VAL 66 HA VAL 66 8.589 2.194 -1.064 577 HB VAL 66 HB VAL 66 10.320 2.169 1.431 578 HG11 VAL 66 HG11 VAL 66 11.211 3.602 -0.363 579 HG12 VAL 66 HG12 VAL 66 10.598 4.563 0.992 580 HG13 VAL 66 HG13 VAL 66 9.643 4.414 -0.472 581 HG21 VAL 66 HG21 VAL 66 8.714 3.809 2.317 582 HG22 VAL 66 HG22 VAL 66 7.993 2.222 2.036 583 HG23 VAL 66 HG23 VAL 66 7.703 3.533 0.894 584 H ILE 67 HN ILE 67 9.873 1.912 -2.753 585 HA ILE 67 HA ILE 67 12.237 0.214 -2.421 586 HB ILE 67 HB ILE 67 10.816 0.845 -5.024 587 HG12 ILE 67 HG12 ILE 67 10.580 -1.625 -3.286 588 HG13 ILE 67 HG11 ILE 67 9.313 -0.433 -3.539 589 HG21 ILE 67 HG21 ILE 67 12.812 -1.302 -4.277 590 HG22 ILE 67 HG22 ILE 67 13.198 0.175 -5.148 591 HG23 ILE 67 HG23 ILE 67 12.134 -1.031 -5.884 592 HD11 ILE 67 HD11 ILE 67 9.219 -1.043 -5.908 593 HD12 ILE 67 HD12 ILE 67 8.942 -2.443 -4.872 594 HD13 ILE 67 HD13 ILE 67 10.505 -2.221 -5.655 595 H ASP 68 HN ASP 68 13.975 1.382 -2.263 596 HA ASP 68 HA ASP 68 14.246 4.083 -3.129 597 HB2 ASP 68 HB2 ASP 68 16.285 2.101 -2.099 598 HB3 ASP 68 HB1 ASP 68 16.663 3.765 -2.499 599 H GLU 69 HN GLU 69 15.480 0.980 -4.262 600 HA GLU 69 HA GLU 69 17.204 2.027 -6.219 601 HB2 GLU 69 HB2 GLU 69 17.222 -0.278 -7.182 602 HB3 GLU 69 HB1 GLU 69 17.560 -0.208 -5.459 603 HG2 GLU 69 HG2 GLU 69 15.279 -0.904 -4.976 604 HG3 GLU 69 HG1 GLU 69 14.919 -0.936 -6.697 605 H LYS 70 HN LYS 70 13.827 1.325 -6.393 606 HA LYS 70 HA LYS 70 13.761 1.874 -9.290 607 HB2 LYS 70 HB2 LYS 70 11.743 0.735 -7.384 608 HB3 LYS 70 HB1 LYS 70 11.382 1.096 -9.069 609 HG2 LYS 70 HG2 LYS 70 13.606 -0.683 -8.253 610 HG3 LYS 70 HG1 LYS 70 11.957 -1.313 -8.414 611 HD2 LYS 70 HD2 LYS 70 11.969 -0.449 -10.761 612 HD3 LYS 70 HD1 LYS 70 13.663 -0.002 -10.542 613 HE2 LYS 70 HE2 LYS 70 13.430 -2.153 -11.698 614 HE3 LYS 70 HE1 LYS 70 14.236 -2.317 -10.135 615 HZ1 LYS 70 HZ1 LYS 70 12.233 -3.194 -9.180 616 HZ2 LYS 70 HZ2 LYS 70 12.505 -4.047 -10.606 617 HZ3 LYS 70 HZ3 LYS 70 11.350 -2.857 -10.561 618 H VAL 71 HN VAL 71 13.389 3.365 -6.353 619 HA VAL 71 HA VAL 71 12.386 5.183 -5.478 620 HB VAL 71 HB VAL 71 12.190 6.366 -8.246 621 HG11 VAL 71 HG11 VAL 71 12.844 7.543 -5.564 622 HG12 VAL 71 HG12 VAL 71 11.309 7.651 -6.416 623 HG13 VAL 71 HG13 VAL 71 12.745 8.446 -7.082 624 HG21 VAL 71 HG21 VAL 71 14.701 6.166 -6.605 625 HG22 VAL 71 HG22 VAL 71 14.496 7.052 -8.141 626 HG23 VAL 71 HG23 VAL 71 14.344 5.285 -8.094 627 H VAL 72 HN VAL 72 10.514 3.618 -5.280 628 HA VAL 72 HA VAL 72 8.178 4.855 -6.423 629 HB VAL 72 HB VAL 72 8.940 3.359 -8.227 630 HG11 VAL 72 HG11 VAL 72 8.848 0.938 -8.002 631 HG12 VAL 72 HG12 VAL 72 8.509 1.117 -6.279 632 HG13 VAL 72 HG13 VAL 72 10.049 1.671 -6.938 633 HG21 VAL 72 HG21 VAL 72 6.395 2.444 -6.921 634 HG22 VAL 72 HG22 VAL 72 6.851 2.164 -8.606 635 HG23 VAL 72 HG23 VAL 72 6.578 3.805 -8.025 636 H VAL 73 HN VAL 73 6.320 4.392 -5.319 637 HA VAL 73 HA VAL 73 6.548 2.816 -2.907 638 HB VAL 73 HB VAL 73 4.367 4.678 -3.929 639 HG11 VAL 73 HG11 VAL 73 3.356 4.460 -1.715 640 HG12 VAL 73 HG12 VAL 73 4.599 3.297 -1.259 641 HG13 VAL 73 HG13 VAL 73 3.438 2.891 -2.520 642 HG21 VAL 73 HG21 VAL 73 6.355 5.834 -3.313 643 HG22 VAL 73 HG22 VAL 73 6.412 5.004 -1.752 644 HG23 VAL 73 HG23 VAL 73 5.103 6.141 -2.105 645 H PHE 74 HN PHE 74 6.355 0.787 -3.451 646 HA PHE 74 HA PHE 74 4.486 0.013 -5.522 647 HB2 PHE 74 HB2 PHE 74 6.683 -0.898 -5.792 648 HB3 PHE 74 HB1 PHE 74 6.723 -1.450 -4.125 649 HD1 PHE 74 HD2 PHE 74 4.128 -1.863 -6.770 650 HD2 PHE 74 HD1 PHE 74 6.941 -3.725 -4.184 651 HE1 PHE 74 HE2 PHE 74 3.305 -4.063 -7.457 652 HE2 PHE 74 HE1 PHE 74 6.115 -5.933 -4.870 653 HZ PHE 74 HZ PHE 74 4.293 -6.098 -6.508 654 H VAL 75 HN VAL 75 2.541 -0.086 -4.754 655 HA VAL 75 HA VAL 75 1.899 -0.942 -2.127 656 HB VAL 75 HB VAL 75 0.061 -0.607 -4.511 657 HG11 VAL 75 HG11 VAL 75 -0.538 -0.722 -1.558 658 HG12 VAL 75 HG12 VAL 75 -0.936 -1.955 -2.759 659 HG13 VAL 75 HG13 VAL 75 -1.707 -0.372 -2.831 660 HG21 VAL 75 HG21 VAL 75 1.246 1.455 -4.036 661 HG22 VAL 75 HG22 VAL 75 0.809 1.341 -2.331 662 HG23 VAL 75 HG23 VAL 75 -0.444 1.607 -3.550 663 H ILE 76 HN ILE 76 1.714 -2.843 -1.442 664 HA ILE 76 HA ILE 76 2.134 -5.141 -3.108 665 HB ILE 76 HB ILE 76 1.658 -4.939 -0.131 666 HG12 ILE 76 HG12 ILE 76 3.630 -3.632 -0.786 667 HG13 ILE 76 HG11 ILE 76 4.097 -5.055 0.134 668 HG21 ILE 76 HG21 ILE 76 1.257 -7.171 -0.968 669 HG22 ILE 76 HG22 ILE 76 2.729 -7.123 0.001 670 HG23 ILE 76 HG23 ILE 76 2.836 -7.187 -1.760 671 HD11 ILE 76 HD11 ILE 76 4.717 -6.163 -1.976 672 HD12 ILE 76 HD12 ILE 76 5.623 -4.680 -1.693 673 HD13 ILE 76 HD13 ILE 76 4.298 -4.692 -2.851 674 H SER 77 HN SER 77 -0.370 -4.058 -0.757 675 HA SER 77 HA SER 77 -2.348 -5.566 -2.235 676 HB2 SER 77 HB2 SER 77 -1.409 -7.141 -0.540 677 HB3 SER 77 HB1 SER 77 -1.874 -6.012 0.727 678 HG SER 77 HG SER 77 -3.841 -6.882 -1.097 679 H VAL 78 HN VAL 78 -4.434 -4.899 -1.811 680 HA VAL 78 HA VAL 78 -4.806 -2.483 -0.165 681 HB VAL 78 HB VAL 78 -6.013 -2.994 -2.910 682 HG11 VAL 78 HG11 VAL 78 -7.440 -1.741 -1.415 683 HG12 VAL 78 HG12 VAL 78 -6.878 -0.735 -2.753 684 HG13 VAL 78 HG13 VAL 78 -6.154 -0.567 -1.149 685 HG21 VAL 78 HG21 VAL 78 -3.891 -0.991 -2.154 686 HG22 VAL 78 HG22 VAL 78 -4.662 -1.148 -3.736 687 HG23 VAL 78 HG23 VAL 78 -3.640 -2.446 -3.115 688 H GLY 79 HN GLY 79 -6.649 -2.746 1.163 689 HA2 GLY 79 HA2 GLY 79 -9.102 -3.477 0.667 690 HA3 GLY 79 HA1 GLY 79 -8.336 -5.054 0.555 691 H LYS 80 HN LYS 80 -9.335 -5.934 2.312 692 HA LYS 80 HA LYS 80 -8.637 -4.704 4.874 693 HB2 LYS 80 HB2 LYS 80 -11.020 -6.405 4.158 694 HB3 LYS 80 HB1 LYS 80 -10.516 -6.078 5.805 695 HG2 LYS 80 HG2 LYS 80 -10.919 -3.714 5.494 696 HG3 LYS 80 HG1 LYS 80 -11.337 -3.984 3.799 697 HD2 LYS 80 HD2 LYS 80 -13.344 -3.745 5.135 698 HD3 LYS 80 HD1 LYS 80 -13.232 -5.389 4.508 699 HE2 LYS 80 HE2 LYS 80 -13.956 -5.503 6.791 700 HE3 LYS 80 HE1 LYS 80 -12.306 -6.094 6.726 701 HZ1 LYS 80 HZ1 LYS 80 -12.579 -4.642 8.597 702 HZ2 LYS 80 HZ2 LYS 80 -13.230 -3.440 7.658 703 HZ3 LYS 80 HZ3 LYS 80 -11.587 -3.827 7.497 704 H ALA 81 HN ALA 81 -7.026 -5.742 5.766 705 HA ALA 81 HA ALA 81 -6.780 -8.614 5.436 706 HB1 ALA 81 HB1 ALA 81 -4.864 -8.381 6.928 707 HB2 ALA 81 HB2 ALA 81 -5.169 -6.659 7.077 708 HB3 ALA 81 HB3 ALA 81 -4.676 -7.343 5.505 709 H GLU 82 HN GLU 82 -6.309 -9.644 7.733 710 HA GLU 82 HA GLU 82 -8.642 -8.805 9.183 711 HB2 GLU 82 HB2 GLU 82 -8.589 -11.106 8.381 712 HB3 GLU 82 HB1 GLU 82 -7.146 -11.404 9.343 713 HG2 GLU 82 HG2 GLU 82 -9.182 -12.202 10.410 714 HG3 GLU 82 HG1 GLU 82 -8.290 -10.948 11.308 715 H ALA 83 HN ALA 83 -8.602 -8.223 11.199 716 HA ALA 83 HA ALA 83 -5.984 -7.941 12.517 717 HB1 ALA 83 HB1 ALA 83 -6.588 -5.807 11.481 718 HB2 ALA 83 HB2 ALA 83 -6.596 -5.692 13.241 719 HB3 ALA 83 HB3 ALA 83 -8.116 -5.816 12.359 720 H SER 84 HN SER 84 -9.387 -8.550 12.751 721 HA SER 84 HA SER 84 -9.155 -8.573 15.651 722 HB2 SER 84 HB2 SER 84 -11.600 -8.349 13.898 723 HB3 SER 84 HB1 SER 84 -11.590 -8.305 15.667 724 HG SER 84 HG SER 84 -9.880 -6.577 15.158 725 H GLU 85 HN GLU 85 -10.441 -10.443 12.911 726 HA GLU 85 HA GLU 85 -11.088 -12.626 14.674 727 HB2 GLU 85 HB2 GLU 85 -10.995 -12.534 11.659 728 HB3 GLU 85 HB1 GLU 85 -11.687 -13.833 12.618 729 HG2 GLU 85 HG2 GLU 85 -12.653 -10.993 12.494 730 HG3 GLU 85 HG1 GLU 85 -13.420 -12.398 11.754 731 H VAL 86 HN VAL 86 -8.332 -11.553 13.077 732 HA VAL 86 HA VAL 86 -7.085 -13.980 12.407 733 HB VAL 86 HB VAL 86 -6.388 -11.775 11.477 734 HG11 VAL 86 HG11 VAL 86 -5.101 -11.323 14.155 735 HG12 VAL 86 HG12 VAL 86 -6.440 -10.410 13.459 736 HG13 VAL 86 HG13 VAL 86 -4.841 -10.339 12.714 737 HG21 VAL 86 HG21 VAL 86 -4.162 -13.352 12.768 738 HG22 VAL 86 HG22 VAL 86 -3.964 -12.209 11.440 739 HG23 VAL 86 HG23 VAL 86 -4.907 -13.681 11.203 740 H TYR 87 HN TYR 87 -7.232 -12.250 15.463 741 HA TYR 87 HA TYR 87 -4.988 -13.675 16.472 742 HB2 TYR 87 HB2 TYR 87 -5.501 -12.662 18.702 743 HB3 TYR 87 HB1 TYR 87 -5.221 -11.511 17.412 744 HD1 TYR 87 HD1 TYR 87 -8.065 -13.258 19.122 745 HD2 TYR 87 HD2 TYR 87 -6.629 -9.681 17.322 746 HE1 TYR 87 HE1 TYR 87 -10.122 -12.106 19.791 747 HE2 TYR 87 HE2 TYR 87 -8.690 -8.517 17.981 748 HH TYR 87 HH TYR 87 -11.106 -9.278 18.455 749 H SER 88 HN SER 88 -8.041 -14.735 15.954 750 HA SER 88 HA SER 88 -8.184 -16.503 18.212 751 HB2 SER 88 HB2 SER 88 -9.654 -16.590 15.567 752 HB3 SER 88 HB1 SER 88 -10.116 -17.430 17.050 753 HG SER 88 HG SER 88 -10.813 -15.041 16.285 754 H GLU 89 HN GLU 89 -6.802 -16.443 15.062 755 HA GLU 89 HA GLU 89 -6.135 -19.288 15.089 756 HB2 GLU 89 HB2 GLU 89 -5.698 -17.133 13.004 757 HB3 GLU 89 HB1 GLU 89 -5.374 -18.851 12.787 758 HG2 GLU 89 HG2 GLU 89 -7.683 -19.390 12.914 759 HG3 GLU 89 HG1 GLU 89 -8.094 -17.762 13.443 760 H ALA 90 HN ALA 90 -4.662 -16.073 14.787 761 HA ALA 90 HA ALA 90 -2.057 -17.099 15.469 762 HB1 ALA 90 HB1 ALA 90 -2.216 -15.261 13.835 763 HB2 ALA 90 HB2 ALA 90 -1.306 -14.760 15.259 764 HB3 ALA 90 HB3 ALA 90 -2.980 -14.240 15.054 765 H VAL 91 HN VAL 91 -2.619 -17.964 17.374 766 HA VAL 91 HA VAL 91 -3.706 -16.449 19.529 767 HB VAL 91 HB VAL 91 -3.258 -18.537 20.855 768 HG11 VAL 91 HG11 VAL 91 -5.396 -18.155 19.726 769 HG12 VAL 91 HG12 VAL 91 -4.951 -19.863 19.647 770 HG13 VAL 91 HG13 VAL 91 -4.737 -18.829 18.236 771 HG21 VAL 91 HG21 VAL 91 -2.586 -20.538 19.624 772 HG22 VAL 91 HG22 VAL 91 -1.306 -19.321 19.582 773 HG23 VAL 91 HG23 VAL 91 -2.332 -19.576 18.171 774 H LYS 92 HN LYS 92 -2.709 -15.752 21.368 775 HA LYS 92 HA LYS 92 0.020 -15.063 21.111 776 HB2 LYS 92 HB2 LYS 92 -0.125 -13.952 23.304 777 HB3 LYS 92 HB1 LYS 92 -1.409 -13.476 22.221 778 HG2 LYS 92 HG2 LYS 92 -1.783 -15.491 24.442 779 HG3 LYS 92 HG1 LYS 92 -2.023 -13.760 24.658 780 HD2 LYS 92 HD2 LYS 92 -3.750 -13.851 22.856 781 HD3 LYS 92 HD1 LYS 92 -3.553 -15.601 22.809 782 HE2 LYS 92 HE2 LYS 92 -5.486 -15.034 24.143 783 HE3 LYS 92 HE1 LYS 92 -4.230 -15.717 25.171 784 HZ1 LYS 92 HZ1 LYS 92 -4.714 -12.795 24.869 785 HZ2 LYS 92 HZ2 LYS 92 -3.727 -13.538 26.029 786 HZ3 LYS 92 HZ3 LYS 92 -5.386 -13.734 26.064 787 H ARG 93 HN ARG 93 -1.524 -17.716 22.691 788 HA ARG 93 HA ARG 93 1.168 -18.588 23.531 789 HB2 ARG 93 HB2 ARG 93 -1.413 -19.489 24.846 790 HB3 ARG 93 HB1 ARG 93 0.215 -19.906 25.331 791 HG2 ARG 93 HG2 ARG 93 0.572 -17.487 25.891 792 HG3 ARG 93 HG1 ARG 93 -1.149 -17.238 25.588 793 HD2 ARG 93 HD2 ARG 93 0.095 -19.029 27.682 794 HD3 ARG 93 HD1 ARG 93 -0.827 -17.554 27.948 795 HE ARG 93 HE ARG 93 -2.434 -19.368 26.547 796 HH11 ARG 93 HH11 ARG 93 -1.096 -18.923 29.806 797 HH12 ARG 93 HH12 ARG 93 -2.264 -19.911 30.551 798 HH21 ARG 93 HH21 ARG 93 -4.005 -20.738 27.592 799 HH22 ARG 93 HH22 ARG 93 -3.947 -20.946 29.274 800 H ILE 94 HN ILE 94 -2.043 -20.118 23.123 801 HA ILE 94 HA ILE 94 -1.218 -21.740 20.954 802 HB ILE 94 HB ILE 94 -0.101 -22.941 22.819 803 HG12 ILE 94 HG12 ILE 94 -2.538 -24.441 21.812 804 HG13 ILE 94 HG11 ILE 94 -1.014 -24.271 20.951 805 HG21 ILE 94 HG21 ILE 94 -1.462 -22.224 24.671 806 HG22 ILE 94 HG22 ILE 94 -1.408 -23.988 24.620 807 HG23 ILE 94 HG23 ILE 94 -2.840 -23.135 24.051 808 HD11 ILE 94 HD11 ILE 94 -1.406 -25.683 23.577 809 HD12 ILE 94 HD12 ILE 94 0.120 -25.520 22.708 810 HD13 ILE 94 HD13 ILE 94 -1.201 -26.454 22.003 811 H LEU 95 HN LEU 95 -3.085 -22.841 20.080 812 HA LEU 95 HA LEU 95 -5.551 -21.548 20.773 813 HB2 LEU 95 HB2 LEU 95 -4.701 -22.126 18.410 814 HB3 LEU 95 HB1 LEU 95 -5.136 -23.776 18.761 815 HG LEU 95 HG LEU 95 -7.112 -21.476 18.697 816 HD11 LEU 95 HD11 LEU 95 -6.467 -23.518 16.582 817 HD12 LEU 95 HD12 LEU 95 -6.148 -21.781 16.507 818 HD13 LEU 95 HD13 LEU 95 -7.806 -22.373 16.527 819 HD21 LEU 95 HD21 LEU 95 -8.810 -23.234 18.535 820 HD22 LEU 95 HD22 LEU 95 -7.880 -23.393 20.026 821 HD23 LEU 95 HD23 LEU 95 -7.553 -24.465 18.665 822 H LYS 47 H LYS 47 1.392 -7.711 21.420 823 HA LYS 47 HA LYS 47 -0.862 -6.889 23.100 824 HB2 LYS 47 HB2 LYS 47 1.523 -8.547 23.774 825 HB3 LYS 47 HB1 LYS 47 0.842 -7.484 24.992 826 HG2 LYS 47 HG2 LYS 47 -0.722 -9.580 23.515 827 HG3 LYS 47 HG1 LYS 47 0.025 -9.827 25.094 828 HD2 LYS 47 HD2 LYS 47 -1.302 -7.927 25.973 829 HD3 LYS 47 HD1 LYS 47 -2.104 -7.786 24.413 830 HE2 LYS 47 HE2 LYS 47 -3.025 -10.005 24.644 831 HE3 LYS 47 HE1 LYS 47 -2.135 -10.239 26.149 832 HZ1 LYS 47 HZ1 LYS 47 -4.280 -8.217 25.713 833 HZ2 LYS 47 HZ2 LYS 47 -3.447 -8.497 27.156 834 HZ3 LYS 47 HZ3 LYS 47 -4.440 -9.690 26.510 835 H GLN 48 HN GLN 48 2.641 -6.513 23.430 836 HA GLN 48 HA GLN 48 2.033 -3.877 24.510 837 HB2 GLN 48 HB2 GLN 48 4.570 -5.475 24.577 838 HB3 GLN 48 HB1 GLN 48 4.335 -3.916 25.357 839 HG2 GLN 48 HG2 GLN 48 2.836 -6.458 25.956 840 HG3 GLN 48 HG1 GLN 48 4.084 -5.716 26.955 841 HE21 GLN 48 HE21 GLN 48 3.616 -3.824 28.026 842 HE22 GLN 48 HE22 GLN 48 2.006 -3.293 28.328 843 H THR 49 HN THR 49 2.994 -4.990 21.528 844 HA THR 49 HA THR 49 4.743 -2.771 21.006 845 HB THR 49 HB THR 49 4.751 -3.961 18.714 846 HG1 THR 49 HG1 THR 49 3.174 -5.380 18.731 847 HG21 THR 49 HG21 THR 49 6.364 -5.634 19.528 848 HG22 THR 49 HG22 THR 49 5.774 -5.409 21.170 849 HG23 THR 49 HG23 THR 49 6.605 -4.089 20.346 850 H LEU 50 HN LEU 50 4.311 -1.292 19.205 851 HA LEU 50 HA LEU 50 1.567 -0.554 19.037 852 HB2 LEU 50 HB2 LEU 50 4.014 0.562 17.654 853 HB3 LEU 50 HB1 LEU 50 2.411 1.237 17.539 854 HG LEU 50 HG LEU 50 3.538 2.617 19.040 855 HD11 LEU 50 HD11 LEU 50 1.347 2.097 19.816 856 HD12 LEU 50 HD12 LEU 50 2.438 2.326 21.184 857 HD13 LEU 50 HD13 LEU 50 1.956 0.702 20.710 858 HD21 LEU 50 HD21 LEU 50 4.826 1.849 20.986 859 HD22 LEU 50 HD22 LEU 50 5.500 1.234 19.480 860 HD23 LEU 50 HD23 LEU 50 4.534 0.176 20.512 861 H LEU 51 HN LEU 51 3.914 -2.212 17.146 862 HA LEU 51 HA LEU 51 2.080 -2.562 14.983 863 HB2 LEU 51 HB2 LEU 51 3.717 -4.352 14.243 864 HB3 LEU 51 HB1 LEU 51 4.348 -2.723 14.295 865 HG LEU 51 HG LEU 51 5.354 -3.377 16.571 866 HD11 LEU 51 HD11 LEU 51 4.814 -6.136 15.534 867 HD12 LEU 51 HD12 LEU 51 4.123 -5.395 16.975 868 HD13 LEU 51 HD13 LEU 51 5.856 -5.728 16.898 869 HD21 LEU 51 HD21 LEU 51 6.362 -4.635 14.036 870 HD22 LEU 51 HD22 LEU 51 7.312 -4.403 15.502 871 HD23 LEU 51 HD23 LEU 51 6.704 -3.006 14.613 872 H SER 52 HN SER 52 0.924 -4.543 14.532 873 HA SER 52 HA SER 52 0.360 -5.830 17.062 874 HB2 SER 52 HB2 SER 52 -1.275 -4.120 16.516 875 HB3 SER 52 HB1 SER 52 -1.568 -4.847 14.948 876 HG SER 52 HG SER 52 -3.147 -5.450 16.428 877 H ASP 53 HN ASP 53 -1.524 -7.566 16.098 878 HA ASP 53 HA ASP 53 0.231 -9.533 14.982 879 HB2 ASP 53 HB2 ASP 53 -2.604 -9.757 16.003 880 HB3 ASP 53 HB1 ASP 53 -1.554 -11.105 15.576 881 H GLU 54 HN GLU 54 -2.149 -7.397 13.932 882 HA GLU 54 HA GLU 54 -3.044 -8.720 11.578 883 HB2 GLU 54 HB2 GLU 54 -3.623 -6.412 10.797 884 HB3 GLU 54 HB1 GLU 54 -4.235 -6.773 12.404 885 HG2 GLU 54 HG2 GLU 54 -2.534 -5.456 13.438 886 HG3 GLU 54 HG1 GLU 54 -1.685 -5.278 11.915 887 H ASP 55 HN ASP 55 -0.292 -6.775 12.422 888 HA ASP 55 HA ASP 55 0.748 -6.310 9.841 889 HB2 ASP 55 HB2 ASP 55 2.162 -6.371 12.516 890 HB3 ASP 55 HB1 ASP 55 2.825 -5.696 11.033 891 H ALA 56 HN ALA 56 0.825 -8.918 12.020 892 HA ALA 56 HA ALA 56 3.077 -10.287 10.916 893 HB1 ALA 56 HB1 ALA 56 2.300 -10.730 13.204 894 HB2 ALA 56 HB2 ALA 56 2.338 -12.202 12.236 895 HB3 ALA 56 HB3 ALA 56 0.801 -11.397 12.560 896 H GLU 57 HN GLU 57 -0.355 -10.186 10.219 897 HA GLU 57 HA GLU 57 -0.235 -12.351 8.358 898 HB2 GLU 57 HB2 GLU 57 -2.422 -11.876 9.261 899 HB3 GLU 57 HB1 GLU 57 -2.318 -10.185 8.780 900 HG2 GLU 57 HG2 GLU 57 -2.521 -10.735 6.480 901 HG3 GLU 57 HG1 GLU 57 -2.294 -12.446 6.803 902 H LEU 58 HN LEU 58 -0.037 -8.888 8.196 903 HA LEU 58 HA LEU 58 0.036 -8.676 5.417 904 HB2 LEU 58 HB2 LEU 58 1.236 -6.905 7.490 905 HB3 LEU 58 HB1 LEU 58 1.086 -6.455 5.796 906 HG LEU 58 HG LEU 58 -1.080 -6.860 7.828 907 HD11 LEU 58 HD11 LEU 58 -0.269 -4.470 6.260 908 HD12 LEU 58 HD12 LEU 58 -0.131 -4.741 7.998 909 HD13 LEU 58 HD13 LEU 58 -1.722 -4.596 7.251 910 HD21 LEU 58 HD21 LEU 58 -1.350 -6.725 4.837 911 HD22 LEU 58 HD22 LEU 58 -2.650 -6.261 5.928 912 HD23 LEU 58 HD23 LEU 58 -2.020 -7.903 5.963 913 H VAL 59 HN VAL 59 2.650 -9.377 7.693 914 HA VAL 59 HA VAL 59 4.654 -8.983 5.729 915 HB VAL 59 HB VAL 59 6.269 -10.073 7.144 916 HG11 VAL 59 HG11 VAL 59 5.768 -7.804 7.607 917 HG12 VAL 59 HG12 VAL 59 6.107 -8.656 9.115 918 HG13 VAL 59 HG13 VAL 59 4.443 -8.270 8.671 919 HG21 VAL 59 HG21 VAL 59 5.008 -11.938 8.000 920 HG22 VAL 59 HG22 VAL 59 3.954 -10.857 8.913 921 HG23 VAL 59 HG23 VAL 59 5.657 -11.010 9.353 922 H GLU 60 HN GLU 60 2.686 -11.757 6.515 923 HA GLU 60 HA GLU 60 4.358 -13.405 4.901 924 HB2 GLU 60 HB2 GLU 60 2.690 -15.204 5.222 925 HB3 GLU 60 HB1 GLU 60 3.246 -14.515 6.731 926 HG2 GLU 60 HG2 GLU 60 1.194 -13.234 6.907 927 HG3 GLU 60 HG1 GLU 60 0.637 -13.901 5.374 928 H ILE 61 HN ILE 61 1.575 -11.446 4.427 929 HA ILE 61 HA ILE 61 0.908 -12.504 1.872 930 HB ILE 61 HB ILE 61 0.221 -9.802 3.088 931 HG12 ILE 61 HG12 ILE 61 -1.409 -12.347 2.829 932 HG13 ILE 61 HG11 ILE 61 -0.703 -11.724 4.314 933 HG21 ILE 61 HG21 ILE 61 -1.521 -9.646 1.360 934 HG22 ILE 61 HG22 ILE 61 -0.923 -11.141 0.636 935 HG23 ILE 61 HG23 ILE 61 0.095 -9.699 0.644 936 HD11 ILE 61 HD11 ILE 61 -2.856 -10.380 2.689 937 HD12 ILE 61 HD12 ILE 61 -2.158 -9.764 4.184 938 HD13 ILE 61 HD13 ILE 61 -3.085 -11.264 4.197 939 H VAL 62 HN VAL 62 2.991 -9.857 2.963 940 HA VAL 62 HA VAL 62 3.491 -8.967 0.321 941 HB VAL 62 HB VAL 62 3.821 -7.373 2.161 942 HG11 VAL 62 HG11 VAL 62 5.682 -7.487 3.693 943 HG12 VAL 62 HG12 VAL 62 6.192 -9.017 2.971 944 HG13 VAL 62 HG13 VAL 62 4.653 -8.919 3.826 945 HG21 VAL 62 HG21 VAL 62 5.059 -6.978 0.103 946 HG22 VAL 62 HG22 VAL 62 6.411 -7.916 0.729 947 HG23 VAL 62 HG23 VAL 62 5.957 -6.396 1.503 948 H LYS 63 HN LYS 63 5.341 -11.104 2.462 949 HA LYS 63 HA LYS 63 7.503 -11.509 0.677 950 HB2 LYS 63 HB2 LYS 63 8.042 -13.480 2.001 951 HB3 LYS 63 HB1 LYS 63 7.583 -12.160 3.066 952 HG2 LYS 63 HG2 LYS 63 5.323 -13.146 3.217 953 HG3 LYS 63 HG1 LYS 63 5.891 -14.508 2.270 954 HD2 LYS 63 HD2 LYS 63 6.939 -13.657 4.972 955 HD3 LYS 63 HD1 LYS 63 5.911 -15.046 4.646 956 HE2 LYS 63 HE2 LYS 63 7.713 -15.913 3.135 957 HE3 LYS 63 HE1 LYS 63 8.737 -14.613 3.726 958 HZ1 LYS 63 HZ1 LYS 63 7.547 -16.763 5.373 959 HZ2 LYS 63 HZ2 LYS 63 8.392 -15.450 5.990 960 HZ3 LYS 63 HZ3 LYS 63 9.185 -16.564 5.015 961 H GLU 64 HN GLU 64 4.317 -12.815 0.837 962 HA GLU 64 HA GLU 64 4.596 -14.956 -0.971 963 HB2 GLU 64 HB2 GLU 64 2.662 -14.858 0.427 964 HB3 GLU 64 HB1 GLU 64 2.254 -13.253 -0.157 965 HG2 GLU 64 HG2 GLU 64 1.705 -14.101 -2.300 966 HG3 GLU 64 HG1 GLU 64 2.261 -15.709 -1.889 967 H ARG 65 HN ARG 65 3.315 -11.692 -1.417 968 HA ARG 65 HA ARG 65 3.117 -12.036 -4.205 969 HB2 ARG 65 HB2 ARG 65 2.930 -9.676 -2.432 970 HB3 ARG 65 HB1 ARG 65 2.644 -9.530 -4.183 971 HG2 ARG 65 HG2 ARG 65 0.840 -11.263 -3.859 972 HG3 ARG 65 HG1 ARG 65 1.116 -11.122 -2.125 973 HD2 ARG 65 HD2 ARG 65 0.583 -8.704 -2.292 974 HD3 ARG 65 HD1 ARG 65 0.182 -8.947 -3.994 975 HE ARG 65 HE ARG 65 -1.191 -10.745 -2.273 976 HH11 ARG 65 HH11 ARG 65 -1.378 -7.450 -3.594 977 HH12 ARG 65 HH12 ARG 65 -3.052 -7.300 -3.294 978 HH21 ARG 65 HH21 ARG 65 -3.461 -10.533 -1.923 979 HH22 ARG 65 HH22 ARG 65 -4.251 -9.065 -2.318 980 H LEU 66 HN LEU 66 5.754 -11.185 -2.229 981 HA LEU 66 HA LEU 66 7.154 -9.758 -4.293 982 HB2 LEU 66 HB2 LEU 66 8.128 -10.882 -1.676 983 HB3 LEU 66 HB1 LEU 66 9.166 -10.041 -2.801 984 HG LEU 66 HG LEU 66 6.790 -8.860 -1.366 985 HD11 LEU 66 HD11 LEU 66 9.751 -8.464 -0.986 986 HD12 LEU 66 HD12 LEU 66 8.652 -9.283 0.125 987 HD13 LEU 66 HD13 LEU 66 8.486 -7.552 -0.168 988 HD21 LEU 66 HD21 LEU 66 8.806 -7.573 -3.220 989 HD22 LEU 66 HD22 LEU 66 7.595 -6.715 -2.273 990 HD23 LEU 66 HD23 LEU 66 7.090 -7.809 -3.554 991 H ARG 67 HN ARG 67 6.464 -12.995 -3.899 992 HA ARG 67 HA ARG 67 8.942 -14.079 -4.770 993 HB2 ARG 67 HB2 ARG 67 7.788 -16.200 -5.107 994 HB3 ARG 67 HB1 ARG 67 7.194 -15.475 -3.630 995 HG2 ARG 67 HG2 ARG 67 5.260 -14.615 -5.114 996 HG3 ARG 67 HG1 ARG 67 5.810 -15.842 -6.255 997 HD2 ARG 67 HD2 ARG 67 5.026 -16.341 -3.378 998 HD3 ARG 67 HD1 ARG 67 4.008 -16.651 -4.773 999 HE ARG 67 HE ARG 67 5.692 -18.282 -5.467 1000 HH11 ARG 67 HH11 ARG 67 5.769 -17.341 -2.032 1001 HH12 ARG 67 HH12 ARG 67 6.198 -18.882 -1.493 1002 HH21 ARG 67 HH21 ARG 67 6.256 -20.436 -4.650 1003 HH22 ARG 67 HH22 ARG 67 6.433 -20.661 -2.972 1004 H ASN 68 HN ASN 68 6.055 -13.020 -6.426 1005 HA ASN 68 HA ASN 68 7.448 -12.219 -8.736 1006 HB2 ASN 68 HB2 ASN 68 5.621 -14.622 -8.977 1007 HB3 ASN 68 HB1 ASN 68 5.822 -13.521 -10.320 1008 HD21 ASN 68 HD21 ASN 68 7.993 -13.354 -11.233 1009 HD22 ASN 68 HD22 ASN 68 9.026 -14.725 -11.175 1010 HA PRO 69 HA PRO 69 3.688 -9.954 -7.575 1011 HB2 PRO 69 HB2 PRO 69 4.799 -7.466 -7.914 1012 HB3 PRO 69 HB1 PRO 69 4.780 -8.369 -6.396 1013 HG2 PRO 69 HG2 PRO 69 7.005 -7.814 -8.216 1014 HG3 PRO 69 HG1 PRO 69 7.039 -8.341 -6.529 1015 HD2 PRO 69 HD2 PRO 69 7.516 -9.913 -8.849 1016 HD3 PRO 69 HD1 PRO 69 7.426 -10.468 -7.171 1017 H LYS 70 HN LYS 70 5.811 -8.657 -10.119 1018 HA LYS 70 HA LYS 70 5.485 -7.720 -12.081 1019 HB2 LYS 70 HB2 LYS 70 2.905 -9.334 -12.134 1020 HB3 LYS 70 HB1 LYS 70 3.361 -8.273 -13.454 1021 HG2 LYS 70 HG2 LYS 70 3.960 -10.513 -14.047 1022 HG3 LYS 70 HG1 LYS 70 5.445 -9.624 -13.732 1023 HD2 LYS 70 HD2 LYS 70 5.486 -10.635 -11.450 1024 HD3 LYS 70 HD1 LYS 70 4.070 -11.585 -11.892 1025 HE2 LYS 70 HE2 LYS 70 6.749 -11.684 -13.282 1026 HE3 LYS 70 HE1 LYS 70 6.181 -12.859 -12.118 1027 HZ1 LYS 70 HZ1 LYS 70 4.352 -13.406 -13.654 1028 HZ2 LYS 70 HZ2 LYS 70 5.867 -13.658 -14.318 1029 HZ3 LYS 70 HZ3 LYS 70 4.986 -12.318 -14.785 1030 HA PRO 71 HA PRO 71 3.185 -4.332 -10.214 1031 HB2 PRO 71 HB2 PRO 71 5.211 -2.567 -10.193 1032 HB3 PRO 71 HB1 PRO 71 5.015 -3.796 -8.940 1033 HG2 PRO 71 HG2 PRO 71 6.911 -3.702 -11.220 1034 HG3 PRO 71 HG1 PRO 71 7.130 -4.384 -9.604 1035 HD2 PRO 71 HD2 PRO 71 6.535 -5.824 -11.925 1036 HD3 PRO 71 HD1 PRO 71 6.370 -6.412 -10.261 1037 H VAL 72 HN VAL 72 2.209 -2.695 -11.194 1038 HA VAL 72 HA VAL 72 2.917 -2.066 -13.972 1039 HB VAL 72 HB VAL 72 0.254 -1.746 -12.549 1040 HG11 VAL 72 HG11 VAL 72 0.542 -0.129 -14.350 1041 HG12 VAL 72 HG12 VAL 72 -0.674 -1.332 -14.781 1042 HG13 VAL 72 HG13 VAL 72 0.943 -1.429 -15.474 1043 HG21 VAL 72 HG21 VAL 72 1.142 -3.834 -14.532 1044 HG22 VAL 72 HG22 VAL 72 -0.507 -3.616 -13.957 1045 HG23 VAL 72 HG23 VAL 72 0.765 -4.093 -12.828 1046 H ARG 73 HN ARG 73 3.434 -0.005 -14.433 1047 HA ARG 73 HA ARG 73 3.950 1.791 -12.254 1048 HB2 ARG 73 HB2 ARG 73 5.437 1.539 -14.299 1049 HB3 ARG 73 HB1 ARG 73 4.170 2.333 -15.221 1050 HG2 ARG 73 HG2 ARG 73 5.704 4.014 -14.730 1051 HG3 ARG 73 HG1 ARG 73 4.389 4.257 -13.572 1052 HD2 ARG 73 HD2 ARG 73 6.376 4.482 -12.328 1053 HD3 ARG 73 HD1 ARG 73 5.783 2.866 -11.951 1054 HE ARG 73 HE ARG 73 7.738 3.148 -14.100 1055 HH11 ARG 73 HH11 ARG 73 7.055 1.870 -10.878 1056 HH12 ARG 73 HH12 ARG 73 8.604 1.231 -10.639 1057 HH21 ARG 73 HH21 ARG 73 9.854 2.281 -13.811 1058 HH22 ARG 73 HH22 ARG 73 10.284 1.499 -12.381 1059 H VAL 74 HN VAL 74 2.454 3.173 -11.488 1060 HA VAL 74 HA VAL 74 0.522 4.248 -13.373 1061 HB VAL 74 HB VAL 74 -1.288 4.106 -11.679 1062 HG11 VAL 74 HG11 VAL 74 -1.764 1.695 -11.887 1063 HG12 VAL 74 HG12 VAL 74 -0.118 1.446 -12.475 1064 HG13 VAL 74 HG13 VAL 74 -1.248 2.435 -13.398 1065 HG21 VAL 74 HG21 VAL 74 0.093 3.956 -9.711 1066 HG22 VAL 74 HG22 VAL 74 0.603 2.320 -10.167 1067 HG23 VAL 74 HG23 VAL 74 -1.093 2.657 -9.777 1068 H THR 75 HN THR 75 -0.738 5.989 -12.258 1069 HA THR 75 HA THR 75 0.833 7.578 -10.419 1070 HB THR 75 HB THR 75 0.062 9.612 -11.747 1071 HG1 THR 75 HG1 THR 75 -0.465 7.620 -13.742 1072 HG21 THR 75 HG21 THR 75 1.850 9.457 -13.432 1073 HG22 THR 75 HG22 THR 75 1.946 7.718 -13.165 1074 HG23 THR 75 HG23 THR 75 2.385 8.833 -11.870 1075 H LEU 76 HN LEU 76 -0.692 9.326 -9.511 1076 HA LEU 76 HA LEU 76 -3.095 7.995 -8.677 1077 HB2 LEU 76 HB2 LEU 76 -2.046 10.757 -8.111 1078 HB3 LEU 76 HB1 LEU 76 -3.467 10.047 -7.356 1079 HG LEU 76 HG LEU 76 -0.723 8.871 -7.174 1080 HD11 LEU 76 HD11 LEU 76 -0.748 11.090 -6.138 1081 HD12 LEU 76 HD12 LEU 76 -0.659 9.821 -4.915 1082 HD13 LEU 76 HD13 LEU 76 -2.190 10.646 -5.219 1083 HD21 LEU 76 HD21 LEU 76 -1.674 7.670 -5.267 1084 HD22 LEU 76 HD22 LEU 76 -2.472 7.287 -6.776 1085 HD23 LEU 76 HD23 LEU 76 -3.260 8.370 -5.615 1086 H ASP 77 HN ASP 77 -2.221 10.349 -10.979 1087 HA ASP 77 HA ASP 77 -4.649 11.599 -11.558 1088 HB2 ASP 77 HB2 ASP 77 -2.528 12.355 -12.488 1089 HB3 ASP 77 HB1 ASP 77 -2.375 10.861 -13.402 1090 H GLU 78 HN GLU 78 -3.403 8.483 -12.520 1091 HA GLU 78 HA GLU 78 -5.615 8.095 -14.369 1092 HB2 GLU 78 HB2 GLU 78 -4.436 6.122 -15.110 1093 HB3 GLU 78 HB1 GLU 78 -3.366 7.517 -15.108 1094 HG2 GLU 78 HG2 GLU 78 -2.457 6.768 -12.946 1095 HG3 GLU 78 HG1 GLU 78 -3.455 5.326 -13.049 1096 H LEU 79 HN LEU 79 -5.141 7.614 -11.110 1097 HA LEU 79 HA LEU 79 -6.570 5.095 -11.046 1098 HB2 LEU 79 HB2 LEU 79 -5.735 6.900 -8.776 1099 HB3 LEU 79 HB1 LEU 79 -6.494 5.338 -8.587 1100 HG LEU 79 HG LEU 79 -3.726 5.926 -9.611 1101 HD11 LEU 79 HD11 LEU 79 -4.007 5.992 -7.204 1102 HD12 LEU 79 HD12 LEU 79 -3.038 4.601 -7.701 1103 HD13 LEU 79 HD13 LEU 79 -4.721 4.381 -7.234 1104 HD21 LEU 79 HD21 LEU 79 -3.443 3.494 -9.843 1105 HD22 LEU 79 HD22 LEU 79 -4.644 4.124 -10.962 1106 HD23 LEU 79 HD23 LEU 79 -5.159 3.267 -9.506 Start of MODEL 18 1 H MET 1 H MET 1 3.636 15.000 -6.300 2 HA MET 1 HA MET 1 4.450 12.692 -6.219 3 HB2 MET 1 HB2 MET 1 4.752 14.023 -8.930 4 HB3 MET 1 HB1 MET 1 4.521 12.306 -8.657 5 HG2 MET 1 HG2 MET 1 2.544 14.471 -7.987 6 HG3 MET 1 HG1 MET 1 2.478 13.413 -9.392 7 HE1 MET 1 HE1 MET 1 -0.507 12.176 -7.158 8 HE2 MET 1 HE2 MET 1 -0.033 12.808 -8.737 9 HE3 MET 1 HE3 MET 1 0.071 13.835 -7.310 10 H ALA 2 HN ALA 2 6.446 12.663 -4.995 11 HA ALA 2 HA ALA 2 8.855 13.074 -6.557 12 HB1 ALA 2 HB1 ALA 2 8.529 12.134 -3.700 13 HB2 ALA 2 HB2 ALA 2 8.831 13.797 -4.201 14 HB3 ALA 2 HB3 ALA 2 10.054 12.554 -4.480 15 H TYR 3 HN TYR 3 7.213 10.474 -4.872 16 HA TYR 3 HA TYR 3 8.890 8.513 -6.199 17 HB2 TYR 3 HB2 TYR 3 6.841 8.265 -3.993 18 HB3 TYR 3 HB1 TYR 3 7.574 6.870 -4.765 19 HD1 TYR 3 HD1 TYR 3 8.550 10.028 -3.014 20 HD2 TYR 3 HD2 TYR 3 9.489 5.965 -3.842 21 HE1 TYR 3 HE1 TYR 3 10.454 10.159 -1.475 22 HE2 TYR 3 HE2 TYR 3 11.399 6.088 -2.306 23 HH TYR 3 HH TYR 3 11.881 8.729 -0.178 24 H PHE 4 HN PHE 4 8.139 6.923 -7.492 25 HA PHE 4 HA PHE 4 5.706 7.510 -8.976 26 HB2 PHE 4 HB2 PHE 4 7.632 5.206 -9.341 27 HB3 PHE 4 HB1 PHE 4 6.440 5.773 -10.501 28 HD1 PHE 4 HD1 PHE 4 6.739 8.086 -11.489 29 HD2 PHE 4 HD2 PHE 4 9.784 6.076 -9.304 30 HE1 PHE 4 HE1 PHE 4 8.431 9.579 -12.474 31 HE2 PHE 4 HE2 PHE 4 11.477 7.559 -10.279 32 HZ PHE 4 HZ PHE 4 10.804 9.308 -11.860 33 H LEU 5 HN LEU 5 4.175 5.535 -9.431 34 HA LEU 5 HA LEU 5 3.877 4.117 -6.901 35 HB2 LEU 5 HB2 LEU 5 2.160 5.803 -7.296 36 HB3 LEU 5 HB1 LEU 5 1.844 5.137 -8.879 37 HG LEU 5 HG LEU 5 0.938 3.119 -7.863 38 HD11 LEU 5 HD11 LEU 5 2.218 3.123 -5.756 39 HD12 LEU 5 HD12 LEU 5 0.485 3.074 -5.433 40 HD13 LEU 5 HD13 LEU 5 1.374 4.587 -5.244 41 HD21 LEU 5 HD21 LEU 5 -1.102 4.161 -6.987 42 HD22 LEU 5 HD22 LEU 5 -0.514 4.977 -8.438 43 HD23 LEU 5 HD23 LEU 5 -0.242 5.690 -6.851 44 H ASP 6 HN ASP 6 3.429 1.937 -6.999 45 HA ASP 6 HA ASP 6 3.228 0.655 -9.647 46 HB2 ASP 6 HB2 ASP 6 5.652 0.567 -8.465 47 HB3 ASP 6 HB1 ASP 6 4.862 -0.713 -7.545 48 H PHE 7 HN PHE 7 2.304 -1.458 -9.435 49 HA PHE 7 HA PHE 7 0.895 -1.986 -6.920 50 HB2 PHE 7 HB2 PHE 7 -0.376 -0.896 -9.300 51 HB3 PHE 7 HB1 PHE 7 -1.137 -2.368 -8.725 52 HD1 PHE 7 HD2 PHE 7 -0.398 1.139 -7.961 53 HD2 PHE 7 HD1 PHE 7 -2.255 -2.437 -6.633 54 HE1 PHE 7 HE2 PHE 7 -1.656 2.417 -6.266 55 HE2 PHE 7 HE1 PHE 7 -3.503 -1.185 -4.956 56 HZ PHE 7 HZ PHE 7 -3.211 1.256 -4.764 57 H ASP 8 HN ASP 8 0.581 -4.042 -6.519 58 HA ASP 8 HA ASP 8 1.442 -6.177 -8.147 59 HB2 ASP 8 HB2 ASP 8 1.355 -6.615 -5.834 60 HB3 ASP 8 HB1 ASP 8 -0.239 -5.910 -5.653 61 H GLU 9 HN GLU 9 0.335 -7.449 -9.624 62 HA GLU 9 HA GLU 9 -1.664 -6.441 -11.165 63 HB2 GLU 9 HB2 GLU 9 0.056 -8.494 -11.264 64 HB3 GLU 9 HB1 GLU 9 -1.430 -9.332 -10.833 65 HG2 GLU 9 HG2 GLU 9 -1.341 -7.529 -13.159 66 HG3 GLU 9 HG1 GLU 9 -0.733 -9.179 -13.282 67 H ARG 10 HN ARG 10 -1.961 -8.509 -8.311 68 HA ARG 10 HA ARG 10 -4.789 -8.844 -8.635 69 HB2 ARG 10 HB2 ARG 10 -2.765 -9.747 -6.654 70 HB3 ARG 10 HB1 ARG 10 -4.437 -9.676 -6.134 71 HG2 ARG 10 HG2 ARG 10 -3.570 -11.151 -8.602 72 HG3 ARG 10 HG1 ARG 10 -3.652 -11.907 -7.006 73 HD2 ARG 10 HD2 ARG 10 -5.937 -10.607 -8.503 74 HD3 ARG 10 HD1 ARG 10 -5.719 -12.337 -8.199 75 HE ARG 10 HE ARG 10 -5.711 -11.592 -5.774 76 HH11 ARG 10 HH11 ARG 10 -7.899 -10.349 -8.269 77 HH12 ARG 10 HH12 ARG 10 -8.996 -9.699 -7.141 78 HH21 ARG 10 HH21 ARG 10 -7.228 -10.660 -4.262 79 HH22 ARG 10 HH22 ARG 10 -8.548 -9.763 -4.838 80 H ALA 11 HN ALA 11 -2.677 -6.887 -6.643 81 HA ALA 11 HA ALA 11 -4.595 -5.634 -5.053 82 HB1 ALA 11 HB1 ALA 11 -2.207 -5.432 -4.619 83 HB2 ALA 11 HB2 ALA 11 -2.943 -3.833 -4.726 84 HB3 ALA 11 HB3 ALA 11 -2.008 -4.471 -6.079 85 H LEU 12 HN LEU 12 -3.690 -5.009 -8.346 86 HA LEU 12 HA LEU 12 -5.012 -2.580 -8.970 87 HB2 LEU 12 HB2 LEU 12 -4.886 -5.142 -10.571 88 HB3 LEU 12 HB1 LEU 12 -5.336 -3.578 -11.230 89 HG LEU 12 HG LEU 12 -2.608 -4.409 -10.213 90 HD11 LEU 12 HD11 LEU 12 -3.634 -3.968 -13.014 91 HD12 LEU 12 HD12 LEU 12 -3.313 -5.533 -12.273 92 HD13 LEU 12 HD13 LEU 12 -1.987 -4.400 -12.552 93 HD21 LEU 12 HD21 LEU 12 -1.834 -2.330 -11.244 94 HD22 LEU 12 HD22 LEU 12 -2.988 -2.017 -9.950 95 HD23 LEU 12 HD23 LEU 12 -3.500 -1.901 -11.634 96 H LYS 13 HN LYS 13 -6.175 -5.845 -8.891 97 HA LYS 13 HA LYS 13 -8.828 -5.234 -9.714 98 HB2 LYS 13 HB2 LYS 13 -7.929 -7.722 -8.263 99 HB3 LYS 13 HB1 LYS 13 -9.219 -7.573 -9.446 100 HG2 LYS 13 HG2 LYS 13 -6.242 -7.401 -10.001 101 HG3 LYS 13 HG1 LYS 13 -7.327 -8.711 -10.425 102 HD2 LYS 13 HD2 LYS 13 -8.461 -7.400 -12.034 103 HD3 LYS 13 HD1 LYS 13 -7.731 -5.910 -11.438 104 HE2 LYS 13 HE2 LYS 13 -6.666 -6.626 -13.512 105 HE3 LYS 13 HE1 LYS 13 -5.541 -6.680 -12.162 106 HZ1 LYS 13 HZ1 LYS 13 -5.227 -8.600 -13.385 107 HZ2 LYS 13 HZ2 LYS 13 -6.881 -8.954 -13.485 108 HZ3 LYS 13 HZ3 LYS 13 -6.069 -9.106 -12.012 109 H GLU 14 HN GLU 14 -7.114 -5.501 -6.768 110 HA GLU 14 HA GLU 14 -9.217 -5.812 -4.980 111 HB2 GLU 14 HB2 GLU 14 -6.443 -4.831 -4.704 112 HB3 GLU 14 HB1 GLU 14 -7.528 -4.939 -3.319 113 HG2 GLU 14 HG2 GLU 14 -6.815 -7.225 -5.152 114 HG3 GLU 14 HG1 GLU 14 -6.057 -6.938 -3.591 115 H TRP 15 HN TRP 15 -7.656 -2.787 -6.127 116 HA TRP 15 HA TRP 15 -9.351 -1.306 -4.339 117 HB2 TRP 15 HB2 TRP 15 -8.524 0.756 -5.205 118 HB3 TRP 15 HB1 TRP 15 -7.160 -0.334 -5.315 119 HD1 TRP 15 HD1 TRP 15 -9.931 1.091 -7.700 120 HE1 TRP 15 HE1 TRP 15 -8.873 1.465 -10.008 121 HE3 TRP 15 HE3 TRP 15 -5.233 -0.697 -6.776 122 HZ2 TRP 15 HZ2 TRP 15 -6.431 1.083 -11.272 123 HZ3 TRP 15 HZ3 TRP 15 -3.600 -0.630 -8.593 124 HH2 TRP 15 HH2 TRP 15 -4.179 0.240 -10.798 125 H ARG 16 HN ARG 16 -9.734 -2.692 -7.343 126 HA ARG 16 HA ARG 16 -11.929 -0.984 -8.133 127 HB2 ARG 16 HB2 ARG 16 -11.087 -3.557 -9.446 128 HB3 ARG 16 HB1 ARG 16 -11.995 -2.241 -10.176 129 HG2 ARG 16 HG2 ARG 16 -10.003 -0.781 -9.830 130 HG3 ARG 16 HG1 ARG 16 -9.129 -2.206 -9.297 131 HD2 ARG 16 HD2 ARG 16 -10.179 -1.529 -11.993 132 HD3 ARG 16 HD1 ARG 16 -8.547 -1.929 -11.514 133 HE ARG 16 HE ARG 16 -10.258 -4.124 -11.027 134 HH11 ARG 16 HH11 ARG 16 -8.393 -2.542 -13.584 135 HH12 ARG 16 HH12 ARG 16 -8.546 -3.838 -14.671 136 HH21 ARG 16 HH21 ARG 16 -10.446 -5.884 -12.519 137 HH22 ARG 16 HH22 ARG 16 -9.726 -5.751 -14.067 138 H LYS 17 HN LYS 17 -11.562 -3.753 -6.228 139 HA LYS 17 HA LYS 17 -14.319 -4.616 -6.613 140 HB2 LYS 17 HB2 LYS 17 -13.724 -6.561 -5.158 141 HB3 LYS 17 HB1 LYS 17 -12.711 -6.440 -6.582 142 HG2 LYS 17 HG2 LYS 17 -11.156 -6.958 -4.968 143 HG3 LYS 17 HG1 LYS 17 -11.092 -5.196 -4.979 144 HD2 LYS 17 HD2 LYS 17 -11.126 -5.727 -2.700 145 HD3 LYS 17 HD1 LYS 17 -12.810 -5.338 -3.051 146 HE2 LYS 17 HE2 LYS 17 -12.803 -7.322 -1.735 147 HE3 LYS 17 HE1 LYS 17 -13.198 -7.798 -3.385 148 HZ1 LYS 17 HZ1 LYS 17 -10.714 -8.312 -3.623 149 HZ2 LYS 17 HZ2 LYS 17 -11.602 -9.347 -2.669 150 HZ3 LYS 17 HZ3 LYS 17 -10.626 -8.176 -1.955 151 H LEU 18 HN LEU 18 -12.861 -2.308 -4.938 152 HA LEU 18 HA LEU 18 -14.831 -2.544 -2.832 153 HB2 LEU 18 HB2 LEU 18 -13.286 -1.227 -1.339 154 HB3 LEU 18 HB1 LEU 18 -12.789 -2.864 -1.693 155 HG LEU 18 HG LEU 18 -11.251 -1.821 -3.456 156 HD11 LEU 18 HD11 LEU 18 -11.752 0.640 -1.813 157 HD12 LEU 18 HD12 LEU 18 -12.204 0.408 -3.503 158 HD13 LEU 18 HD13 LEU 18 -10.501 0.442 -3.040 159 HD21 LEU 18 HD21 LEU 18 -10.754 -1.380 -0.527 160 HD22 LEU 18 HD22 LEU 18 -9.537 -1.343 -1.804 161 HD23 LEU 18 HD23 LEU 18 -10.412 -2.840 -1.470 162 H GLY 19 HN GLY 19 -15.405 -0.428 -1.850 163 HA2 GLY 19 HA2 GLY 19 -16.660 1.099 -3.815 164 HA3 GLY 19 HA1 GLY 19 -16.528 1.531 -2.121 165 H SER 20 HN SER 20 -16.467 3.213 -4.454 166 HA SER 20 HA SER 20 -13.849 3.935 -5.073 167 HB2 SER 20 HB2 SER 20 -15.784 4.490 -6.528 168 HB3 SER 20 HB1 SER 20 -16.308 5.681 -5.340 169 HG SER 20 HG SER 20 -14.435 6.877 -5.717 170 H THR 21 HN THR 21 -16.074 5.071 -2.532 171 HA THR 21 HA THR 21 -14.484 7.326 -1.904 172 HB THR 21 HB THR 21 -16.383 5.875 -0.030 173 HG1 THR 21 HG1 THR 21 -16.821 7.209 -2.364 174 HG21 THR 21 HG21 THR 21 -16.710 8.117 0.935 175 HG22 THR 21 HG22 THR 21 -15.563 8.784 -0.228 176 HG23 THR 21 HG23 THR 21 -15.008 7.654 1.002 177 H VAL 22 HN VAL 22 -14.401 3.954 -1.026 178 HA VAL 22 HA VAL 22 -12.614 4.110 1.155 179 HB VAL 22 HB VAL 22 -12.994 1.856 -0.840 180 HG11 VAL 22 HG11 VAL 22 -11.686 1.819 1.876 181 HG12 VAL 22 HG12 VAL 22 -10.866 1.638 0.328 182 HG13 VAL 22 HG13 VAL 22 -12.002 0.403 0.877 183 HG21 VAL 22 HG21 VAL 22 -15.047 2.353 0.352 184 HG22 VAL 22 HG22 VAL 22 -14.194 2.260 1.895 185 HG23 VAL 22 HG23 VAL 22 -14.379 0.816 0.902 186 H ARG 23 HN ARG 23 -12.037 3.462 -2.299 187 HA ARG 23 HA ARG 23 -9.217 3.339 -2.050 188 HB2 ARG 23 HB2 ARG 23 -9.094 3.394 -4.490 189 HB3 ARG 23 HB1 ARG 23 -10.419 2.347 -3.999 190 HG2 ARG 23 HG2 ARG 23 -11.980 4.178 -4.396 191 HG3 ARG 23 HG1 ARG 23 -10.650 5.180 -4.941 192 HD2 ARG 23 HD2 ARG 23 -10.246 3.580 -6.803 193 HD3 ARG 23 HD1 ARG 23 -11.614 2.636 -6.224 194 HE ARG 23 HE ARG 23 -12.825 4.915 -6.452 195 HH11 ARG 23 HH11 ARG 23 -10.502 3.621 -8.799 196 HH12 ARG 23 HH12 ARG 23 -11.252 4.390 -10.117 197 HH21 ARG 23 HH21 ARG 23 -13.804 5.912 -8.186 198 HH22 ARG 23 HH22 ARG 23 -13.223 5.699 -9.779 199 H GLU 24 HN GLU 24 -11.382 5.996 -2.407 200 HA GLU 24 HA GLU 24 -9.444 7.874 -3.267 201 HB2 GLU 24 HB2 GLU 24 -12.175 8.212 -2.064 202 HB3 GLU 24 HB1 GLU 24 -11.175 9.568 -2.577 203 HG2 GLU 24 HG2 GLU 24 -11.163 8.767 -4.851 204 HG3 GLU 24 HG1 GLU 24 -12.004 7.298 -4.345 205 H GLN 25 HN GLN 25 -10.570 6.842 -0.115 206 HA GLN 25 HA GLN 25 -9.253 8.812 1.439 207 HB2 GLN 25 HB2 GLN 25 -9.690 5.895 2.127 208 HB3 GLN 25 HB1 GLN 25 -9.383 7.193 3.269 209 HG2 GLN 25 HG2 GLN 25 -11.513 8.175 2.800 210 HG3 GLN 25 HG1 GLN 25 -11.815 7.005 1.516 211 HE21 GLN 25 HE21 GLN 25 -13.584 6.147 2.382 212 HE22 GLN 25 HE22 GLN 25 -13.673 5.208 3.823 213 H LEU 26 HN LEU 26 -8.340 5.705 0.133 214 HA LEU 26 HA LEU 26 -5.731 5.479 1.119 215 HB2 LEU 26 HB2 LEU 26 -6.892 4.432 -1.463 216 HB3 LEU 26 HB1 LEU 26 -5.337 3.960 -0.815 217 HG LEU 26 HG LEU 26 -7.982 3.455 0.551 218 HD11 LEU 26 HD11 LEU 26 -6.191 1.565 -0.966 219 HD12 LEU 26 HD12 LEU 26 -7.724 2.184 -1.553 220 HD13 LEU 26 HD13 LEU 26 -7.682 1.144 -0.127 221 HD21 LEU 26 HD21 LEU 26 -5.200 2.462 1.112 222 HD22 LEU 26 HD22 LEU 26 -6.652 1.960 1.975 223 HD23 LEU 26 HD23 LEU 26 -6.075 3.621 2.096 224 H LYS 27 HN LYS 27 -6.956 6.929 -1.863 225 HA LYS 27 HA LYS 27 -4.489 7.568 -3.004 226 HB2 LYS 27 HB2 LYS 27 -7.149 8.951 -3.364 227 HB3 LYS 27 HB1 LYS 27 -5.723 9.286 -4.334 228 HG2 LYS 27 HG2 LYS 27 -5.710 6.976 -5.130 229 HG3 LYS 27 HG1 LYS 27 -7.129 6.624 -4.146 230 HD2 LYS 27 HD2 LYS 27 -7.808 7.000 -6.446 231 HD3 LYS 27 HD1 LYS 27 -8.395 8.318 -5.439 232 HE2 LYS 27 HE2 LYS 27 -6.551 9.733 -6.189 233 HE3 LYS 27 HE1 LYS 27 -5.906 8.407 -7.152 234 HZ1 LYS 27 HZ1 LYS 27 -8.529 9.729 -7.541 235 HZ2 LYS 27 HZ2 LYS 27 -7.923 8.448 -8.478 236 HZ3 LYS 27 HZ3 LYS 27 -7.157 9.951 -8.504 237 H LYS 28 HN LYS 28 -6.328 9.305 -0.578 238 HA LYS 28 HA LYS 28 -4.737 11.661 -0.734 239 HB2 LYS 28 HB2 LYS 28 -6.687 10.617 1.266 240 HB3 LYS 28 HB1 LYS 28 -5.556 11.837 1.803 241 HG2 LYS 28 HG2 LYS 28 -7.687 12.845 1.201 242 HG3 LYS 28 HG1 LYS 28 -6.426 13.393 0.114 243 HD2 LYS 28 HD2 LYS 28 -8.226 11.107 -0.652 244 HD3 LYS 28 HD1 LYS 28 -8.784 12.766 -0.817 245 HE2 LYS 28 HE2 LYS 28 -6.318 11.592 -2.127 246 HE3 LYS 28 HE1 LYS 28 -7.861 11.868 -2.918 247 HZ1 LYS 28 HZ1 LYS 28 -6.381 13.648 -3.432 248 HZ2 LYS 28 HZ2 LYS 28 -6.053 13.977 -1.826 249 HZ3 LYS 28 HZ3 LYS 28 -7.588 14.265 -2.448 250 H LYS 29 HN LYS 29 -4.460 8.697 1.124 251 HA LYS 29 HA LYS 29 -2.190 9.688 2.548 252 HB2 LYS 29 HB2 LYS 29 -3.349 6.911 2.347 253 HB3 LYS 29 HB1 LYS 29 -1.964 7.336 3.353 254 HG2 LYS 29 HG2 LYS 29 -4.742 8.473 3.607 255 HG3 LYS 29 HG1 LYS 29 -3.991 7.293 4.690 256 HD2 LYS 29 HD2 LYS 29 -2.245 8.918 5.254 257 HD3 LYS 29 HD1 LYS 29 -2.974 10.079 4.154 258 HE2 LYS 29 HE2 LYS 29 -4.965 10.125 5.453 259 HE3 LYS 29 HE1 LYS 29 -4.278 8.961 6.597 260 HZ1 LYS 29 HZ1 LYS 29 -2.497 10.532 7.044 261 HZ2 LYS 29 HZ2 LYS 29 -3.955 11.217 7.445 262 HZ3 LYS 29 HZ3 LYS 29 -3.166 11.665 5.998 263 H LEU 30 HN LEU 30 -2.670 8.116 -0.350 264 HA LEU 30 HA LEU 30 0.066 7.341 -0.640 265 HB2 LEU 30 HB2 LEU 30 -2.120 7.516 -2.704 266 HB3 LEU 30 HB1 LEU 30 -0.515 6.885 -3.011 267 HG LEU 30 HG LEU 30 -2.524 5.695 -1.096 268 HD11 LEU 30 HD11 LEU 30 -1.603 4.759 -3.806 269 HD12 LEU 30 HD12 LEU 30 -3.190 5.421 -3.416 270 HD13 LEU 30 HD13 LEU 30 -2.681 3.881 -2.720 271 HD21 LEU 30 HD21 LEU 30 -0.953 3.798 -0.995 272 HD22 LEU 30 HD22 LEU 30 -0.245 5.276 -0.352 273 HD23 LEU 30 HD23 LEU 30 0.203 4.715 -1.963 274 H VAL 31 HN VAL 31 -1.837 10.143 -1.539 275 HA VAL 31 HA VAL 31 0.211 11.181 -3.211 276 HB VAL 31 HB VAL 31 -2.233 11.804 -3.404 277 HG11 VAL 31 HG11 VAL 31 -2.750 12.231 -1.107 278 HG12 VAL 31 HG12 VAL 31 -3.126 13.627 -2.112 279 HG13 VAL 31 HG13 VAL 31 -1.681 13.634 -1.097 280 HG21 VAL 31 HG21 VAL 31 -1.829 14.138 -4.097 281 HG22 VAL 31 HG22 VAL 31 -0.585 13.027 -4.668 282 HG23 VAL 31 HG23 VAL 31 -0.258 14.080 -3.295 283 H GLU 32 HN GLU 32 -0.209 11.135 0.212 284 HA GLU 32 HA GLU 32 1.761 13.264 0.502 285 HB2 GLU 32 HB2 GLU 32 1.464 12.992 2.960 286 HB3 GLU 32 HB1 GLU 32 -0.061 13.314 2.158 287 HG2 GLU 32 HG2 GLU 32 -0.688 11.002 2.340 288 HG3 GLU 32 HG1 GLU 32 0.889 10.590 3.004 289 H VAL 33 HN VAL 33 1.427 9.858 0.449 290 HA VAL 33 HA VAL 33 3.831 9.255 1.809 291 HB VAL 33 HB VAL 33 1.642 7.805 1.219 292 HG11 VAL 33 HG11 VAL 33 2.076 7.539 -1.147 293 HG12 VAL 33 HG12 VAL 33 2.133 5.984 -0.319 294 HG13 VAL 33 HG13 VAL 33 3.630 6.786 -0.789 295 HG21 VAL 33 HG21 VAL 33 2.831 5.862 1.975 296 HG22 VAL 33 HG22 VAL 33 3.209 7.331 2.898 297 HG23 VAL 33 HG23 VAL 33 4.360 6.709 1.689 298 H LEU 34 HN LEU 34 2.956 9.866 -1.495 299 HA LEU 34 HA LEU 34 5.408 8.939 -2.604 300 HB2 LEU 34 HB2 LEU 34 3.363 10.836 -3.746 301 HB3 LEU 34 HB1 LEU 34 4.705 10.159 -4.645 302 HG LEU 34 HG LEU 34 2.440 8.572 -3.442 303 HD11 LEU 34 HD11 LEU 34 1.742 8.250 -5.777 304 HD12 LEU 34 HD12 LEU 34 3.042 9.316 -6.310 305 HD13 LEU 34 HD13 LEU 34 1.721 9.955 -5.334 306 HD21 LEU 34 HD21 LEU 34 3.337 6.716 -4.762 307 HD22 LEU 34 HD22 LEU 34 4.496 7.291 -3.567 308 HD23 LEU 34 HD23 LEU 34 4.688 7.730 -5.265 309 H GLU 35 HN GLU 35 4.691 11.591 -0.729 310 HA GLU 35 HA GLU 35 6.861 13.182 -1.804 311 HB2 GLU 35 HB2 GLU 35 4.862 13.721 0.389 312 HB3 GLU 35 HB1 GLU 35 6.084 14.842 -0.174 313 HG2 GLU 35 HG2 GLU 35 3.765 13.776 -1.752 314 HG3 GLU 35 HG1 GLU 35 3.944 15.410 -1.115 315 H SER 36 HN SER 36 5.833 11.305 0.981 316 HA SER 36 HA SER 36 8.522 10.933 1.841 317 HB2 SER 36 HB2 SER 36 8.015 13.089 2.945 318 HB3 SER 36 HB1 SER 36 6.570 12.386 3.662 319 HG SER 36 HG SER 36 8.932 12.438 4.692 320 HA PRO 37 HA PRO 37 5.900 7.394 2.894 321 HB2 PRO 37 HB2 PRO 37 7.410 5.500 1.811 322 HB3 PRO 37 HB1 PRO 37 6.453 6.577 0.788 323 HG2 PRO 37 HG2 PRO 37 9.385 6.583 1.317 324 HG3 PRO 37 HG1 PRO 37 8.508 7.016 -0.161 325 HD2 PRO 37 HD2 PRO 37 9.515 8.799 1.786 326 HD3 PRO 37 HD1 PRO 37 8.402 9.190 0.463 327 H ARG 38 HN ARG 38 8.629 8.584 4.130 328 HA ARG 38 HA ARG 38 9.364 6.226 5.645 329 HB2 ARG 38 HB2 ARG 38 10.653 8.951 5.506 330 HB3 ARG 38 HB1 ARG 38 11.186 7.688 6.607 331 HG2 ARG 38 HG2 ARG 38 11.655 6.226 4.702 332 HG3 ARG 38 HG1 ARG 38 11.132 7.494 3.603 333 HD2 ARG 38 HD2 ARG 38 13.393 7.762 5.564 334 HD3 ARG 38 HD1 ARG 38 13.611 7.310 3.882 335 HE ARG 38 HE ARG 38 12.549 9.895 4.815 336 HH11 ARG 38 HH11 ARG 38 14.318 7.984 2.405 337 HH12 ARG 38 HH12 ARG 38 14.895 9.317 1.539 338 HH21 ARG 38 HH21 ARG 38 13.366 11.766 3.609 339 HH22 ARG 38 HH22 ARG 38 14.359 11.502 2.248 340 H ILE 39 HN ILE 39 7.557 5.973 6.765 341 HA ILE 39 HA ILE 39 7.213 7.815 9.029 342 HB ILE 39 HB ILE 39 5.002 6.144 7.775 343 HG12 ILE 39 HG12 ILE 39 5.416 9.144 7.561 344 HG13 ILE 39 HG11 ILE 39 5.745 7.998 6.266 345 HG21 ILE 39 HG21 ILE 39 4.937 8.317 9.878 346 HG22 ILE 39 HG22 ILE 39 4.720 6.592 10.163 347 HG23 ILE 39 HG23 ILE 39 3.526 7.487 9.222 348 HD11 ILE 39 HD11 ILE 39 3.374 7.395 6.219 349 HD12 ILE 39 HD12 ILE 39 3.619 9.117 5.928 350 HD13 ILE 39 HD13 ILE 39 3.059 8.559 7.504 351 H GLU 40 HN GLU 40 8.343 6.735 10.451 352 HA GLU 40 HA GLU 40 8.967 4.077 10.697 353 HB2 GLU 40 HB2 GLU 40 9.660 4.535 12.958 354 HB3 GLU 40 HB1 GLU 40 10.094 5.888 11.932 355 HG2 GLU 40 HG2 GLU 40 7.846 5.752 13.948 356 HG3 GLU 40 HG1 GLU 40 9.319 6.702 14.072 357 H ALA 41 HN ALA 41 6.179 5.635 12.120 358 HA ALA 41 HA ALA 41 5.330 3.486 13.722 359 HB1 ALA 41 HB1 ALA 41 3.200 4.639 13.873 360 HB2 ALA 41 HB2 ALA 41 3.637 5.663 12.505 361 HB3 ALA 41 HB3 ALA 41 4.535 5.782 14.018 362 H ASN 42 HN ASN 42 4.989 4.031 10.304 363 HA ASN 42 HA ASN 42 2.894 2.061 10.111 364 HB2 ASN 42 HB2 ASN 42 4.199 3.839 8.075 365 HB3 ASN 42 HB1 ASN 42 3.037 2.585 7.647 366 HD21 ASN 42 HD21 ASN 42 2.998 5.496 7.451 367 HD22 ASN 42 HD22 ASN 42 1.535 6.008 8.226 368 H LYS 43 HN LYS 43 6.197 1.905 10.324 369 HA LYS 43 HA LYS 43 6.859 -0.022 8.381 370 HB2 LYS 43 HB2 LYS 43 8.004 0.916 10.910 371 HB3 LYS 43 HB1 LYS 43 8.443 -0.738 10.492 372 HG2 LYS 43 HG2 LYS 43 9.271 0.173 8.295 373 HG3 LYS 43 HG1 LYS 43 8.974 1.793 8.938 374 HD2 LYS 43 HD2 LYS 43 10.519 1.429 10.741 375 HD3 LYS 43 HD1 LYS 43 10.699 -0.263 10.310 376 HE2 LYS 43 HE2 LYS 43 12.640 0.964 9.575 377 HE3 LYS 43 HE1 LYS 43 11.737 0.419 8.170 378 HZ1 LYS 43 HZ1 LYS 43 12.565 2.715 8.019 379 HZ2 LYS 43 HZ2 LYS 43 11.583 3.179 9.275 380 HZ3 LYS 43 HZ3 LYS 43 10.917 2.639 7.820 381 H LEU 44 HN LEU 44 6.777 -2.263 8.346 382 HA LEU 44 HA LEU 44 4.860 -3.471 10.066 383 HB2 LEU 44 HB2 LEU 44 6.566 -4.518 7.849 384 HB3 LEU 44 HB1 LEU 44 5.553 -5.573 8.803 385 HG LEU 44 HG LEU 44 4.659 -3.349 6.964 386 HD11 LEU 44 HD11 LEU 44 4.229 -6.330 6.907 387 HD12 LEU 44 HD12 LEU 44 5.324 -5.423 5.866 388 HD13 LEU 44 HD13 LEU 44 3.583 -5.166 5.751 389 HD21 LEU 44 HD21 LEU 44 3.021 -5.104 8.796 390 HD22 LEU 44 HD22 LEU 44 2.368 -4.068 7.531 391 HD23 LEU 44 HD23 LEU 44 3.198 -3.348 8.907 392 H ARG 45 HN ARG 45 5.529 -5.836 10.702 393 HA ARG 45 HA ARG 45 7.010 -5.544 13.061 394 HB2 ARG 45 HB2 ARG 45 5.156 -7.135 12.630 395 HB3 ARG 45 HB1 ARG 45 6.263 -8.093 11.659 396 HG2 ARG 45 HG2 ARG 45 7.637 -8.505 13.616 397 HG3 ARG 45 HG1 ARG 45 6.562 -7.496 14.595 398 HD2 ARG 45 HD2 ARG 45 4.689 -9.018 13.841 399 HD3 ARG 45 HD1 ARG 45 5.929 -10.100 13.234 400 HE ARG 45 HE ARG 45 6.731 -10.343 15.468 401 HH11 ARG 45 HH11 ARG 45 3.625 -8.652 15.196 402 HH12 ARG 45 HH12 ARG 45 2.987 -9.219 16.659 403 HH21 ARG 45 HH21 ARG 45 5.924 -11.110 17.506 404 HH22 ARG 45 HH22 ARG 45 4.356 -10.695 18.046 405 H GLY 46 HN GLY 46 7.777 -7.575 10.213 406 HA2 GLY 46 HA2 GLY 46 10.604 -7.277 10.961 407 HA3 GLY 46 HA1 GLY 46 9.937 -8.803 10.411 408 H MET 47 HN MET 47 9.062 -5.723 9.081 409 HA MET 47 HA MET 47 10.729 -6.255 6.748 410 HB2 MET 47 HB2 MET 47 7.763 -5.669 6.686 411 HB3 MET 47 HB1 MET 47 8.808 -5.361 5.316 412 HG2 MET 47 HG2 MET 47 8.353 -8.060 6.578 413 HG3 MET 47 HG1 MET 47 7.539 -7.454 5.136 414 HE1 MET 47 HE1 MET 47 8.942 -10.230 5.048 415 HE2 MET 47 HE2 MET 47 9.790 -10.100 3.499 416 HE3 MET 47 HE3 MET 47 8.169 -9.438 3.679 417 HA PRO 48 HA PRO 48 11.334 -1.970 8.187 418 HB2 PRO 48 HB2 PRO 48 13.781 -1.674 6.984 419 HB3 PRO 48 HB1 PRO 48 13.553 -2.374 8.590 420 HG2 PRO 48 HG2 PRO 48 13.946 -3.752 5.962 421 HG3 PRO 48 HG1 PRO 48 14.640 -4.138 7.547 422 HD2 PRO 48 HD2 PRO 48 12.565 -5.508 6.528 423 HD3 PRO 48 HD1 PRO 48 12.725 -5.206 8.261 424 H ASP 49 HN ASP 49 11.504 -3.324 4.982 425 HA ASP 49 HA ASP 49 11.419 -0.717 3.679 426 HB2 ASP 49 HB2 ASP 49 11.189 -3.492 2.488 427 HB3 ASP 49 HB1 ASP 49 11.179 -2.001 1.569 428 H CYS 50 HN CYS 50 9.168 -2.826 5.046 429 HA CYS 50 HA CYS 50 7.149 -1.978 3.123 430 HB2 CYS 50 HB2 CYS 50 7.599 -4.445 3.303 431 HB3 CYS 50 HB1 CYS 50 6.986 -4.364 4.951 432 HG CYS 50 HG CYS 50 4.866 -3.040 2.798 433 H TYR 51 HN TYR 51 5.381 -0.995 3.753 434 HA TYR 51 HA TYR 51 5.027 -0.340 6.576 435 HB2 TYR 51 HB2 TYR 51 4.875 1.516 4.184 436 HB3 TYR 51 HB1 TYR 51 4.361 1.934 5.808 437 HD1 TYR 51 HD1 TYR 51 7.409 0.760 3.963 438 HD2 TYR 51 HD2 TYR 51 5.836 3.051 7.165 439 HE1 TYR 51 HE1 TYR 51 9.665 1.612 4.458 440 HE2 TYR 51 HE2 TYR 51 8.077 3.899 7.666 441 HH TYR 51 HH TYR 51 10.747 3.411 5.573 442 H LYS 52 HN LYS 52 2.814 0.388 6.964 443 HA LYS 52 HA LYS 52 0.821 -0.638 5.059 444 HB2 LYS 52 HB2 LYS 52 -0.412 -1.619 6.910 445 HB3 LYS 52 HB1 LYS 52 1.214 -2.296 6.873 446 HG2 LYS 52 HG2 LYS 52 1.908 -0.818 8.658 447 HG3 LYS 52 HG1 LYS 52 0.330 -0.044 8.657 448 HD2 LYS 52 HD2 LYS 52 -0.676 -2.207 9.307 449 HD3 LYS 52 HD1 LYS 52 0.952 -2.893 9.410 450 HE2 LYS 52 HE2 LYS 52 1.562 -1.189 11.028 451 HE3 LYS 52 HE1 LYS 52 -0.068 -0.531 10.963 452 HZ1 LYS 52 HZ1 LYS 52 -0.888 -2.718 11.740 453 HZ2 LYS 52 HZ2 LYS 52 0.076 -1.884 12.842 454 HZ3 LYS 52 HZ3 LYS 52 0.726 -3.197 11.994 455 H ILE 53 HN ILE 53 -1.275 0.347 5.389 456 HA ILE 53 HA ILE 53 -1.452 2.575 7.240 457 HB ILE 53 HB ILE 53 -2.333 2.829 4.322 458 HG12 ILE 53 HG12 ILE 53 -0.054 4.251 5.738 459 HG13 ILE 53 HG11 ILE 53 0.132 2.939 4.585 460 HG21 ILE 53 HG21 ILE 53 -3.723 3.982 5.960 461 HG22 ILE 53 HG22 ILE 53 -2.862 5.168 4.958 462 HG23 ILE 53 HG23 ILE 53 -2.313 4.800 6.605 463 HD11 ILE 53 HD11 ILE 53 -0.836 4.344 2.830 464 HD12 ILE 53 HD12 ILE 53 0.581 5.101 3.560 465 HD13 ILE 53 HD13 ILE 53 -1.037 5.648 4.003 466 H LYS 54 HN LYS 54 -3.600 2.930 7.880 467 HA LYS 54 HA LYS 54 -5.586 0.969 6.988 468 HB2 LYS 54 HB2 LYS 54 -4.988 1.847 9.802 469 HB3 LYS 54 HB1 LYS 54 -6.271 0.731 9.343 470 HG2 LYS 54 HG2 LYS 54 -4.716 -0.953 8.757 471 HG3 LYS 54 HG1 LYS 54 -3.371 0.182 8.780 472 HD2 LYS 54 HD2 LYS 54 -3.246 -1.168 10.746 473 HD3 LYS 54 HD1 LYS 54 -3.718 0.487 11.151 474 HE2 LYS 54 HE2 LYS 54 -6.022 -0.166 11.467 475 HE3 LYS 54 HE1 LYS 54 -5.695 -1.783 10.845 476 HZ1 LYS 54 HZ1 LYS 54 -4.553 -0.685 13.369 477 HZ2 LYS 54 HZ2 LYS 54 -4.400 -2.277 12.806 478 HZ3 LYS 54 HZ3 LYS 54 -5.892 -1.694 13.267 479 H LEU 55 HN LEU 55 -7.512 1.916 6.627 480 HA LEU 55 HA LEU 55 -7.648 4.779 6.710 481 HB2 LEU 55 HB2 LEU 55 -9.806 2.836 5.800 482 HB3 LEU 55 HB1 LEU 55 -9.792 4.554 5.620 483 HG LEU 55 HG LEU 55 -7.807 2.720 4.326 484 HD11 LEU 55 HD11 LEU 55 -9.005 3.266 2.280 485 HD12 LEU 55 HD12 LEU 55 -10.162 4.218 3.210 486 HD13 LEU 55 HD13 LEU 55 -10.073 2.483 3.445 487 HD21 LEU 55 HD21 LEU 55 -7.256 4.810 3.046 488 HD22 LEU 55 HD22 LEU 55 -6.794 4.842 4.741 489 HD23 LEU 55 HD23 LEU 55 -8.239 5.703 4.209 490 H ARG 56 HN ARG 56 -8.404 5.916 8.204 491 HA ARG 56 HA ARG 56 -9.402 4.851 10.635 492 HB2 ARG 56 HB2 ARG 56 -9.622 7.205 11.306 493 HB3 ARG 56 HB1 ARG 56 -8.051 6.870 10.592 494 HG2 ARG 56 HG2 ARG 56 -8.815 7.818 8.482 495 HG3 ARG 56 HG1 ARG 56 -10.385 8.173 9.205 496 HD2 ARG 56 HD2 ARG 56 -9.295 9.664 10.786 497 HD3 ARG 56 HD1 ARG 56 -7.730 9.269 10.077 498 HE ARG 56 HE ARG 56 -9.806 10.353 8.353 499 HH11 ARG 56 HH11 ARG 56 -6.731 10.827 10.018 500 HH12 ARG 56 HH12 ARG 56 -6.304 12.226 9.132 501 HH21 ARG 56 HH21 ARG 56 -9.215 12.262 7.126 502 HH22 ARG 56 HH22 ARG 56 -7.752 13.057 7.447 503 H SER 57 HN SER 57 -10.913 5.963 7.739 504 HA SER 57 HA SER 57 -13.440 6.371 9.057 505 HB2 SER 57 HB2 SER 57 -12.802 7.915 7.276 506 HB3 SER 57 HB1 SER 57 -12.686 6.578 6.134 507 HG SER 57 HG SER 57 -15.096 7.075 7.517 508 H SER 58 HN SER 58 -12.407 4.308 6.303 509 HA SER 58 HA SER 58 -14.769 2.734 6.843 510 HB2 SER 58 HB2 SER 58 -12.930 2.674 4.462 511 HB3 SER 58 HB1 SER 58 -14.432 1.758 4.616 512 HG SER 58 HG SER 58 -15.388 3.892 5.085 513 H GLY 59 HN GLY 59 -11.602 2.438 7.861 514 HA2 GLY 59 HA2 GLY 59 -10.605 0.743 9.002 515 HA3 GLY 59 HA1 GLY 59 -12.132 -0.114 8.938 516 H TYR 60 HN TYR 60 -10.546 0.852 6.042 517 HA TYR 60 HA TYR 60 -9.940 -1.931 5.398 518 HB2 TYR 60 HB2 TYR 60 -10.135 0.554 3.701 519 HB3 TYR 60 HB1 TYR 60 -9.375 -0.901 3.087 520 HD1 TYR 60 HD1 TYR 60 -12.572 0.088 4.792 521 HD2 TYR 60 HD2 TYR 60 -10.687 -2.285 1.821 522 HE1 TYR 60 HE1 TYR 60 -14.768 -0.750 4.076 523 HE2 TYR 60 HE2 TYR 60 -12.872 -3.135 1.100 524 HH TYR 60 HH TYR 60 -15.057 -3.402 1.923 525 H ARG 61 HN ARG 61 -7.767 -1.904 3.816 526 HA ARG 61 HA ARG 61 -5.694 -0.519 5.362 527 HB2 ARG 61 HB2 ARG 61 -5.733 -3.437 4.638 528 HB3 ARG 61 HB1 ARG 61 -4.401 -2.586 5.390 529 HG2 ARG 61 HG2 ARG 61 -5.722 -2.221 7.374 530 HG3 ARG 61 HG1 ARG 61 -7.116 -2.977 6.591 531 HD2 ARG 61 HD2 ARG 61 -5.988 -5.002 6.369 532 HD3 ARG 61 HD1 ARG 61 -4.482 -4.340 6.990 533 HE ARG 61 HE ARG 61 -6.877 -5.013 8.542 534 HH11 ARG 61 HH11 ARG 61 -3.598 -3.651 8.548 535 HH12 ARG 61 HH12 ARG 61 -3.385 -3.774 10.238 536 HH21 ARG 61 HH21 ARG 61 -6.579 -5.179 10.898 537 HH22 ARG 61 HH22 ARG 61 -5.135 -4.626 11.585 538 H LEU 62 HN LEU 62 -3.635 -0.662 4.218 539 HA LEU 62 HA LEU 62 -3.565 -1.666 1.532 540 HB2 LEU 62 HB2 LEU 62 -4.327 0.688 1.295 541 HB3 LEU 62 HB1 LEU 62 -2.939 1.237 2.205 542 HG LEU 62 HG LEU 62 -2.615 -0.190 -0.447 543 HD11 LEU 62 HD11 LEU 62 -4.109 1.699 -0.817 544 HD12 LEU 62 HD12 LEU 62 -2.516 2.007 -1.504 545 HD13 LEU 62 HD13 LEU 62 -2.982 2.766 0.021 546 HD21 LEU 62 HD21 LEU 62 -0.913 1.831 1.012 547 HD22 LEU 62 HD22 LEU 62 -0.528 1.069 -0.532 548 HD23 LEU 62 HD23 LEU 62 -0.612 0.094 0.936 549 H VAL 63 HN VAL 63 -1.534 -2.399 1.104 550 HA VAL 63 HA VAL 63 0.516 -1.997 3.190 551 HB VAL 63 HB VAL 63 0.045 -4.552 1.620 552 HG11 VAL 63 HG11 VAL 63 1.531 -5.584 3.267 553 HG12 VAL 63 HG12 VAL 63 1.749 -4.015 4.036 554 HG13 VAL 63 HG13 VAL 63 2.321 -4.273 2.389 555 HG21 VAL 63 HG21 VAL 63 -0.797 -3.985 4.462 556 HG22 VAL 63 HG22 VAL 63 -0.895 -5.548 3.640 557 HG23 VAL 63 HG23 VAL 63 -1.869 -4.193 3.077 558 H TYR 64 HN TYR 64 2.542 -1.532 2.300 559 HA TYR 64 HA TYR 64 2.983 -2.017 -0.525 560 HB2 TYR 64 HB2 TYR 64 3.504 0.317 -1.050 561 HB3 TYR 64 HB1 TYR 64 1.840 0.178 -0.501 562 HD1 TYR 64 HD2 TYR 64 1.235 0.985 1.784 563 HD2 TYR 64 HD1 TYR 64 5.094 1.658 0.134 564 HE1 TYR 64 HE2 TYR 64 1.651 2.727 3.459 565 HE2 TYR 64 HE1 TYR 64 5.511 3.391 1.812 566 HH TYR 64 HH TYR 64 3.506 3.802 4.531 567 H GLN 65 HN GLN 65 5.215 -1.251 -1.095 568 HA GLN 65 HA GLN 65 6.984 -1.300 1.207 569 HB2 GLN 65 HB2 GLN 65 7.192 -3.469 0.181 570 HB3 GLN 65 HB1 GLN 65 7.346 -2.762 -1.421 571 HG2 GLN 65 HG2 GLN 65 9.491 -1.832 -0.883 572 HG3 GLN 65 HG1 GLN 65 9.310 -2.291 0.803 573 HE21 GLN 65 HE21 GLN 65 8.287 -4.881 0.223 574 HE22 GLN 65 HE22 GLN 65 9.621 -5.836 -0.330 575 H VAL 66 HN VAL 66 8.577 0.075 1.189 576 HA VAL 66 HA VAL 66 8.486 2.164 -0.843 577 HB VAL 66 HB VAL 66 9.955 2.089 1.815 578 HG11 VAL 66 HG11 VAL 66 9.581 4.385 -0.121 579 HG12 VAL 66 HG12 VAL 66 11.087 3.521 0.170 580 HG13 VAL 66 HG13 VAL 66 10.358 4.481 1.460 581 HG21 VAL 66 HG21 VAL 66 7.465 3.549 0.982 582 HG22 VAL 66 HG22 VAL 66 8.283 3.711 2.541 583 HG23 VAL 66 HG23 VAL 66 7.548 2.175 2.084 584 H ILE 67 HN ILE 67 9.632 1.541 -2.514 585 HA ILE 67 HA ILE 67 12.186 0.236 -2.084 586 HB ILE 67 HB ILE 67 10.926 0.992 -4.724 587 HG12 ILE 67 HG12 ILE 67 10.603 -1.623 -3.208 588 HG13 ILE 67 HG11 ILE 67 9.343 -0.415 -3.402 589 HG21 ILE 67 HG21 ILE 67 13.303 0.375 -4.746 590 HG22 ILE 67 HG22 ILE 67 12.345 -0.888 -5.523 591 HG23 ILE 67 HG23 ILE 67 12.939 -1.119 -3.881 592 HD11 ILE 67 HD11 ILE 67 9.028 -2.277 -4.924 593 HD12 ILE 67 HD12 ILE 67 10.631 -2.013 -5.610 594 HD13 ILE 67 HD13 ILE 67 9.369 -0.798 -5.820 595 H ASP 68 HN ASP 68 13.658 1.665 -1.568 596 HA ASP 68 HA ASP 68 13.519 4.438 -2.335 597 HB2 ASP 68 HB2 ASP 68 14.318 3.766 -0.112 598 HB3 ASP 68 HB1 ASP 68 15.633 2.865 -0.847 599 H GLU 69 HN GLU 69 15.271 1.627 -3.341 600 HA GLU 69 HA GLU 69 17.222 2.989 -4.902 601 HB2 GLU 69 HB2 GLU 69 17.755 0.751 -5.810 602 HB3 GLU 69 HB1 GLU 69 17.685 0.786 -4.056 603 HG2 GLU 69 HG2 GLU 69 15.394 -0.149 -4.175 604 HG3 GLU 69 HG1 GLU 69 15.587 -0.274 -5.918 605 H LYS 70 HN LYS 70 13.987 2.003 -5.574 606 HA LYS 70 HA LYS 70 14.351 2.553 -8.465 607 HB2 LYS 70 HB2 LYS 70 11.950 1.367 -7.059 608 HB3 LYS 70 HB1 LYS 70 12.105 1.606 -8.783 609 HG2 LYS 70 HG2 LYS 70 13.912 -0.043 -8.831 610 HG3 LYS 70 HG1 LYS 70 13.716 -0.291 -7.091 611 HD2 LYS 70 HD2 LYS 70 11.303 -0.872 -7.525 612 HD3 LYS 70 HD1 LYS 70 11.655 -0.801 -9.247 613 HE2 LYS 70 HE2 LYS 70 13.310 -2.615 -8.951 614 HE3 LYS 70 HE1 LYS 70 12.893 -2.687 -7.244 615 HZ1 LYS 70 HZ1 LYS 70 11.032 -3.226 -9.495 616 HZ2 LYS 70 HZ2 LYS 70 10.588 -3.267 -7.893 617 HZ3 LYS 70 HZ3 LYS 70 11.700 -4.389 -8.486 618 H VAL 71 HN VAL 71 13.206 3.851 -5.568 619 HA VAL 71 HA VAL 71 12.011 5.616 -4.892 620 HB VAL 71 HB VAL 71 11.985 6.701 -7.728 621 HG11 VAL 71 HG11 VAL 71 10.678 7.839 -6.072 622 HG12 VAL 71 HG12 VAL 71 12.009 8.881 -6.612 623 HG13 VAL 71 HG13 VAL 71 12.089 8.044 -5.046 624 HG21 VAL 71 HG21 VAL 71 14.257 6.046 -7.254 625 HG22 VAL 71 HG22 VAL 71 14.212 6.991 -5.749 626 HG23 VAL 71 HG23 VAL 71 14.085 7.808 -7.325 627 H VAL 72 HN VAL 72 10.589 3.458 -5.237 628 HA VAL 72 HA VAL 72 8.132 4.339 -6.563 629 HB VAL 72 HB VAL 72 9.339 1.571 -6.891 630 HG11 VAL 72 HG11 VAL 72 7.522 1.136 -8.405 631 HG12 VAL 72 HG12 VAL 72 6.808 2.706 -8.019 632 HG13 VAL 72 HG13 VAL 72 6.943 1.462 -6.768 633 HG21 VAL 72 HG21 VAL 72 10.475 3.204 -8.308 634 HG22 VAL 72 HG22 VAL 72 8.922 3.717 -8.970 635 HG23 VAL 72 HG23 VAL 72 9.512 2.086 -9.272 636 H VAL 73 HN VAL 73 6.347 3.913 -5.419 637 HA VAL 73 HA VAL 73 6.515 2.408 -2.942 638 HB VAL 73 HB VAL 73 4.355 4.215 -4.090 639 HG11 VAL 73 HG11 VAL 73 4.521 2.958 -1.357 640 HG12 VAL 73 HG12 VAL 73 3.397 2.496 -2.635 641 HG13 VAL 73 HG13 VAL 73 3.290 4.097 -1.901 642 HG21 VAL 73 HG21 VAL 73 6.295 5.442 -3.483 643 HG22 VAL 73 HG22 VAL 73 6.361 4.657 -1.901 644 HG23 VAL 73 HG23 VAL 73 5.025 5.752 -2.294 645 H PHE 74 HN PHE 74 6.301 0.330 -3.445 646 HA PHE 74 HA PHE 74 4.458 -0.447 -5.556 647 HB2 PHE 74 HB2 PHE 74 6.655 -1.367 -5.808 648 HB3 PHE 74 HB1 PHE 74 6.664 -1.946 -4.151 649 HD1 PHE 74 HD2 PHE 74 4.050 -2.322 -6.809 650 HD2 PHE 74 HD1 PHE 74 6.905 -4.221 -4.288 651 HE1 PHE 74 HE2 PHE 74 3.241 -4.504 -7.540 652 HE2 PHE 74 HE1 PHE 74 6.086 -6.413 -5.027 653 HZ PHE 74 HZ PHE 74 4.257 -6.548 -6.653 654 H VAL 75 HN VAL 75 2.489 -0.666 -4.905 655 HA VAL 75 HA VAL 75 1.829 -1.472 -2.252 656 HB VAL 75 HB VAL 75 -0.007 -1.063 -4.625 657 HG11 VAL 75 HG11 VAL 75 -1.028 -2.410 -2.874 658 HG12 VAL 75 HG12 VAL 75 -1.762 -0.806 -2.933 659 HG13 VAL 75 HG13 VAL 75 -0.596 -1.198 -1.672 660 HG21 VAL 75 HG21 VAL 75 0.772 0.835 -2.409 661 HG22 VAL 75 HG22 VAL 75 -0.448 1.144 -3.645 662 HG23 VAL 75 HG23 VAL 75 1.244 0.963 -4.103 663 H ILE 76 HN ILE 76 1.602 -3.371 -1.563 664 HA ILE 76 HA ILE 76 1.855 -5.725 -3.218 665 HB ILE 76 HB ILE 76 1.563 -5.401 -0.226 666 HG12 ILE 76 HG12 ILE 76 3.615 -4.343 -1.107 667 HG13 ILE 76 HG11 ILE 76 3.975 -5.712 -0.071 668 HG21 ILE 76 HG21 ILE 76 2.447 -7.841 -1.762 669 HG22 ILE 76 HG22 ILE 76 0.887 -7.620 -0.972 670 HG23 ILE 76 HG23 ILE 76 2.354 -7.674 -0.003 671 HD11 ILE 76 HD11 ILE 76 5.438 -5.664 -1.995 672 HD12 ILE 76 HD12 ILE 76 4.050 -5.678 -3.082 673 HD13 ILE 76 HD13 ILE 76 4.390 -7.081 -2.064 674 H SER 77 HN SER 77 -0.554 -4.328 -0.958 675 HA SER 77 HA SER 77 -2.642 -5.948 -2.159 676 HB2 SER 77 HB2 SER 77 -1.972 -6.122 0.791 677 HB3 SER 77 HB1 SER 77 -3.331 -6.912 0.001 678 HG SER 77 HG SER 77 -1.201 -7.559 -1.371 679 H VAL 78 HN VAL 78 -4.785 -5.209 -1.552 680 HA VAL 78 HA VAL 78 -4.996 -2.694 -0.097 681 HB VAL 78 HB VAL 78 -5.916 -3.046 -2.985 682 HG11 VAL 78 HG11 VAL 78 -7.633 -1.949 -1.672 683 HG12 VAL 78 HG12 VAL 78 -6.895 -0.818 -2.810 684 HG13 VAL 78 HG13 VAL 78 -6.463 -0.760 -1.099 685 HG21 VAL 78 HG21 VAL 78 -4.019 -1.084 -1.728 686 HG22 VAL 78 HG22 VAL 78 -4.630 -0.978 -3.365 687 HG23 VAL 78 HG23 VAL 78 -3.613 -2.352 -2.892 688 H GLY 79 HN GLY 79 -6.723 -3.028 1.302 689 HA2 GLY 79 HA2 GLY 79 -9.236 -3.168 0.762 690 HA3 GLY 79 HA1 GLY 79 -8.800 -4.833 0.383 691 H LYS 80 HN LYS 80 -10.344 -5.224 2.204 692 HA LYS 80 HA LYS 80 -9.079 -4.712 4.739 693 HB2 LYS 80 HB2 LYS 80 -11.668 -6.060 3.997 694 HB3 LYS 80 HB1 LYS 80 -10.992 -6.172 5.617 695 HG2 LYS 80 HG2 LYS 80 -11.107 -3.761 5.840 696 HG3 LYS 80 HG1 LYS 80 -11.732 -3.621 4.197 697 HD2 LYS 80 HD2 LYS 80 -13.489 -3.461 5.902 698 HD3 LYS 80 HD1 LYS 80 -13.738 -4.835 4.822 699 HE2 LYS 80 HE2 LYS 80 -12.819 -6.345 6.522 700 HE3 LYS 80 HE1 LYS 80 -12.502 -4.976 7.585 701 HZ1 LYS 80 HZ1 LYS 80 -14.859 -4.617 7.796 702 HZ2 LYS 80 HZ2 LYS 80 -14.565 -6.239 8.118 703 HZ3 LYS 80 HZ3 LYS 80 -15.194 -5.778 6.634 704 H ALA 81 HN ALA 81 -7.264 -5.772 4.710 705 HA ALA 81 HA ALA 81 -7.192 -8.601 4.201 706 HB1 ALA 81 HB1 ALA 81 -4.844 -8.435 5.014 707 HB2 ALA 81 HB2 ALA 81 -5.126 -6.747 5.437 708 HB3 ALA 81 HB3 ALA 81 -5.178 -7.255 3.748 709 H GLU 82 HN GLU 82 -8.464 -9.588 5.536 710 HA GLU 82 HA GLU 82 -9.046 -8.743 8.122 711 HB2 GLU 82 HB2 GLU 82 -10.170 -11.006 8.303 712 HB3 GLU 82 HB1 GLU 82 -10.727 -9.938 7.033 713 HG2 GLU 82 HG2 GLU 82 -9.440 -11.193 5.392 714 HG3 GLU 82 HG1 GLU 82 -8.836 -12.247 6.673 715 H ALA 83 HN ALA 83 -7.521 -8.550 9.518 716 HA ALA 83 HA ALA 83 -5.774 -10.841 9.999 717 HB1 ALA 83 HB1 ALA 83 -4.635 -8.824 9.208 718 HB2 ALA 83 HB2 ALA 83 -4.134 -9.280 10.836 719 HB3 ALA 83 HB3 ALA 83 -5.253 -7.935 10.602 720 H SER 84 HN SER 84 -8.422 -9.335 11.250 721 HA SER 84 HA SER 84 -7.614 -9.778 14.000 722 HB2 SER 84 HB2 SER 84 -10.063 -8.937 14.400 723 HB3 SER 84 HB1 SER 84 -8.828 -7.782 13.910 724 HG SER 84 HG SER 84 -10.335 -9.043 11.858 725 H GLU 85 HN GLU 85 -9.655 -11.082 11.567 726 HA GLU 85 HA GLU 85 -10.510 -13.215 13.339 727 HB2 GLU 85 HB2 GLU 85 -12.051 -13.779 11.418 728 HB3 GLU 85 HB1 GLU 85 -12.363 -12.258 12.236 729 HG2 GLU 85 HG2 GLU 85 -10.752 -12.410 9.709 730 HG3 GLU 85 HG1 GLU 85 -12.506 -12.322 9.671 731 H VAL 86 HN VAL 86 -7.989 -12.619 11.316 732 HA VAL 86 HA VAL 86 -7.983 -14.974 9.769 733 HB VAL 86 HB VAL 86 -6.531 -13.006 9.226 734 HG11 VAL 86 HG11 VAL 86 -5.656 -12.467 11.413 735 HG12 VAL 86 HG12 VAL 86 -4.336 -12.754 10.280 736 HG13 VAL 86 HG13 VAL 86 -4.773 -13.989 11.460 737 HG21 VAL 86 HG21 VAL 86 -4.604 -14.313 8.417 738 HG22 VAL 86 HG22 VAL 86 -6.143 -15.117 8.118 739 HG23 VAL 86 HG23 VAL 86 -5.112 -15.656 9.442 740 H TYR 87 HN TYR 87 -6.720 -14.281 12.970 741 HA TYR 87 HA TYR 87 -5.546 -16.863 13.156 742 HB2 TYR 87 HB2 TYR 87 -5.126 -16.225 15.592 743 HB3 TYR 87 HB1 TYR 87 -4.332 -15.265 14.360 744 HD1 TYR 87 HD1 TYR 87 -7.137 -15.301 16.789 745 HD2 TYR 87 HD2 TYR 87 -4.652 -12.927 14.288 746 HE1 TYR 87 HE1 TYR 87 -7.947 -13.268 17.920 747 HE2 TYR 87 HE2 TYR 87 -5.456 -10.895 15.397 748 HH TYR 87 HH TYR 87 -7.148 -10.965 18.312 749 H SER 88 HN SER 88 -8.632 -16.081 13.178 750 HA SER 88 HA SER 88 -9.513 -17.941 15.199 751 HB2 SER 88 HB2 SER 88 -10.914 -15.974 14.572 752 HB3 SER 88 HB1 SER 88 -11.008 -16.577 12.924 753 HG SER 88 HG SER 88 -12.448 -17.955 13.488 754 H GLU 89 HN GLU 89 -8.916 -17.765 11.764 755 HA GLU 89 HA GLU 89 -9.729 -20.516 11.325 756 HB2 GLU 89 HB2 GLU 89 -8.672 -18.408 9.443 757 HB3 GLU 89 HB1 GLU 89 -9.152 -20.027 8.963 758 HG2 GLU 89 HG2 GLU 89 -10.930 -17.917 10.154 759 HG3 GLU 89 HG1 GLU 89 -10.915 -18.457 8.473 760 H ALA 90 HN ALA 90 -6.849 -18.488 10.953 761 HA ALA 90 HA ALA 90 -5.160 -20.750 10.502 762 HB1 ALA 90 HB1 ALA 90 -4.623 -18.567 9.509 763 HB2 ALA 90 HB2 ALA 90 -3.336 -19.106 10.591 764 HB3 ALA 90 HB3 ALA 90 -4.474 -17.869 11.121 765 H VAL 91 HN VAL 91 -4.426 -21.979 12.013 766 HA VAL 91 HA VAL 91 -4.985 -21.448 14.738 767 HB VAL 91 HB VAL 91 -3.857 -23.635 15.184 768 HG11 VAL 91 HG11 VAL 91 -5.885 -23.620 12.950 769 HG12 VAL 91 HG12 VAL 91 -6.233 -23.548 14.678 770 HG13 VAL 91 HG13 VAL 91 -5.511 -24.999 13.982 771 HG21 VAL 91 HG21 VAL 91 -2.192 -23.557 13.402 772 HG22 VAL 91 HG22 VAL 91 -3.472 -23.660 12.195 773 HG23 VAL 91 HG23 VAL 91 -3.174 -25.018 13.284 774 H LYS 92 HN LYS 92 -3.294 -21.856 16.407 775 HA LYS 92 HA LYS 92 -1.401 -19.767 16.286 776 HB2 LYS 92 HB2 LYS 92 -1.788 -21.979 18.296 777 HB3 LYS 92 HB1 LYS 92 -0.711 -20.611 18.530 778 HG2 LYS 92 HG2 LYS 92 -2.584 -19.075 18.431 779 HG3 LYS 92 HG1 LYS 92 -3.682 -20.401 18.082 780 HD2 LYS 92 HD2 LYS 92 -2.048 -20.314 20.607 781 HD3 LYS 92 HD1 LYS 92 -3.589 -19.482 20.486 782 HE2 LYS 92 HE2 LYS 92 -4.022 -21.602 21.519 783 HE3 LYS 92 HE1 LYS 92 -4.633 -21.691 19.883 784 HZ1 LYS 92 HZ1 LYS 92 -3.435 -23.675 20.657 785 HZ2 LYS 92 HZ2 LYS 92 -2.007 -22.804 20.730 786 HZ3 LYS 92 HZ3 LYS 92 -2.775 -23.055 19.245 787 H ARG 93 HN ARG 93 -1.163 -23.240 16.003 788 HA ARG 93 HA ARG 93 1.477 -22.911 14.895 789 HB2 ARG 93 HB2 ARG 93 0.789 -24.880 17.082 790 HB3 ARG 93 HB1 ARG 93 2.197 -25.026 16.058 791 HG2 ARG 93 HG2 ARG 93 3.059 -22.917 16.910 792 HG3 ARG 93 HG1 ARG 93 1.620 -22.737 17.918 793 HD2 ARG 93 HD2 ARG 93 2.173 -24.712 19.159 794 HD3 ARG 93 HD1 ARG 93 3.524 -25.064 18.081 795 HE ARG 93 HE ARG 93 4.240 -22.706 18.916 796 HH11 ARG 93 HH11 ARG 93 2.826 -25.296 20.923 797 HH12 ARG 93 HH12 ARG 93 3.760 -24.907 22.282 798 HH21 ARG 93 HH21 ARG 93 5.509 -22.216 20.766 799 HH22 ARG 93 HH22 ARG 93 5.313 -23.108 22.198 800 H ILE 94 HN ILE 94 0.676 -23.348 12.939 801 HA ILE 94 HA ILE 94 -0.724 -25.849 12.605 802 HB ILE 94 HB ILE 94 -1.537 -24.123 11.121 803 HG12 ILE 94 HG12 ILE 94 0.023 -26.155 9.502 804 HG13 ILE 94 HG11 ILE 94 -1.562 -26.405 10.218 805 HG21 ILE 94 HG21 ILE 94 0.323 -22.657 10.986 806 HG22 ILE 94 HG22 ILE 94 -0.177 -23.090 9.347 807 HG23 ILE 94 HG23 ILE 94 1.250 -23.838 10.066 808 HD11 ILE 94 HD11 ILE 94 -2.481 -24.672 8.747 809 HD12 ILE 94 HD12 ILE 94 -1.738 -25.991 7.841 810 HD13 ILE 94 HD13 ILE 94 -0.887 -24.457 8.020 811 H LEU 95 HN LEU 95 0.618 -27.325 13.291 812 HA LEU 95 HA LEU 95 2.887 -27.943 11.574 813 HB2 LEU 95 HB2 LEU 95 3.677 -26.740 13.608 814 HB3 LEU 95 HB1 LEU 95 2.903 -27.952 14.595 815 HG LEU 95 HG LEU 95 4.466 -29.653 13.742 816 HD11 LEU 95 HD11 LEU 95 5.787 -27.337 12.325 817 HD12 LEU 95 HD12 LEU 95 4.925 -28.662 11.542 818 HD13 LEU 95 HD13 LEU 95 6.409 -28.982 12.435 819 HD21 LEU 95 HD21 LEU 95 4.956 -28.410 15.780 820 HD22 LEU 95 HD22 LEU 95 5.796 -27.183 14.834 821 HD23 LEU 95 HD23 LEU 95 6.426 -28.829 14.904 822 H LYS 47 H LYS 47 1.473 -2.045 26.910 823 HA LYS 47 HA LYS 47 1.274 0.082 25.901 824 HB2 LYS 47 HB2 LYS 47 3.299 1.057 27.066 825 HB3 LYS 47 HB1 LYS 47 4.321 0.095 26.028 826 HG2 LYS 47 HG2 LYS 47 2.454 2.222 24.977 827 HG3 LYS 47 HG1 LYS 47 4.111 2.560 25.458 828 HD2 LYS 47 HD2 LYS 47 4.905 0.956 23.755 829 HD3 LYS 47 HD1 LYS 47 3.238 0.643 23.287 830 HE2 LYS 47 HE2 LYS 47 4.222 2.189 21.719 831 HE3 LYS 47 HE1 LYS 47 3.002 3.031 22.669 832 HZ1 LYS 47 HZ1 LYS 47 4.993 4.352 22.406 833 HZ2 LYS 47 HZ2 LYS 47 5.941 3.164 23.108 834 HZ3 LYS 47 HZ3 LYS 47 4.781 3.975 24.030 835 H GLN 48 HN GLN 48 0.771 -0.350 23.842 836 HA GLN 48 HA GLN 48 2.472 -2.240 22.420 837 HB2 GLN 48 HB2 GLN 48 -0.511 -1.840 22.185 838 HB3 GLN 48 HB1 GLN 48 0.445 -2.734 21.013 839 HG2 GLN 48 HG2 GLN 48 1.119 -4.280 22.764 840 HG3 GLN 48 HG1 GLN 48 0.103 -3.415 23.915 841 HE21 GLN 48 HE21 GLN 48 -1.270 -5.177 24.303 842 HE22 GLN 48 HE22 GLN 48 -2.373 -5.756 23.111 843 H THR 49 HN THR 49 2.801 -1.831 20.229 844 HA THR 49 HA THR 49 3.001 0.963 19.615 845 HB THR 49 HB THR 49 4.247 -0.170 17.651 846 HG1 THR 49 HG1 THR 49 4.553 -2.349 17.834 847 HG21 THR 49 HG21 THR 49 6.180 -0.710 19.071 848 HG22 THR 49 HG22 THR 49 5.113 -0.773 20.477 849 HG23 THR 49 HG23 THR 49 5.386 0.763 19.649 850 H LEU 50 HN LEU 50 2.763 0.875 16.887 851 HA LEU 50 HA LEU 50 -0.059 0.637 16.485 852 HB2 LEU 50 HB2 LEU 50 2.223 1.554 14.762 853 HB3 LEU 50 HB1 LEU 50 0.639 1.285 14.078 854 HG LEU 50 HG LEU 50 0.937 3.630 14.488 855 HD11 LEU 50 HD11 LEU 50 -1.289 2.758 14.817 856 HD12 LEU 50 HD12 LEU 50 -0.969 4.132 15.873 857 HD13 LEU 50 HD13 LEU 50 -0.953 2.501 16.531 858 HD21 LEU 50 HD21 LEU 50 1.487 2.905 17.363 859 HD22 LEU 50 HD22 LEU 50 1.215 4.539 16.769 860 HD23 LEU 50 HD23 LEU 50 2.622 3.631 16.219 861 H LEU 51 HN LEU 51 1.698 -1.749 16.910 862 HA LEU 51 HA LEU 51 0.427 -3.339 14.915 863 HB2 LEU 51 HB2 LEU 51 2.475 -4.694 14.529 864 HB3 LEU 51 HB1 LEU 51 2.607 -3.065 13.926 865 HG LEU 51 HG LEU 51 3.994 -2.574 16.028 866 HD11 LEU 51 HD11 LEU 51 4.112 -5.584 16.126 867 HD12 LEU 51 HD12 LEU 51 3.384 -4.535 17.342 868 HD13 LEU 51 HD13 LEU 51 5.124 -4.478 17.055 869 HD21 LEU 51 HD21 LEU 51 5.028 -4.524 13.988 870 HD22 LEU 51 HD22 LEU 51 6.018 -3.483 15.013 871 HD23 LEU 51 HD23 LEU 51 4.942 -2.773 13.810 872 H SER 52 HN SER 52 0.881 -5.789 15.658 873 HA SER 52 HA SER 52 1.083 -6.225 18.412 874 HB2 SER 52 HB2 SER 52 -1.081 -5.058 18.527 875 HB3 SER 52 HB1 SER 52 -1.749 -6.127 17.299 876 HG SER 52 HG SER 52 -0.702 -7.047 19.755 877 H ASP 53 HN ASP 53 -1.180 -7.521 16.103 878 HA ASP 53 HA ASP 53 0.613 -9.806 15.696 879 HB2 ASP 53 HB2 ASP 53 -1.160 -10.344 17.419 880 HB3 ASP 53 HB1 ASP 53 -2.354 -10.155 16.144 881 H GLU 54 HN GLU 54 -1.765 -7.623 14.459 882 HA GLU 54 HA GLU 54 -2.541 -8.917 12.115 883 HB2 GLU 54 HB2 GLU 54 -2.970 -6.615 11.205 884 HB3 GLU 54 HB1 GLU 54 -3.712 -6.925 12.761 885 HG2 GLU 54 HG2 GLU 54 -2.159 -5.543 13.889 886 HG3 GLU 54 HG1 GLU 54 -1.078 -5.502 12.497 887 H ASP 55 HN ASP 55 0.221 -7.009 12.854 888 HA ASP 55 HA ASP 55 1.354 -6.524 10.357 889 HB2 ASP 55 HB2 ASP 55 3.449 -6.281 11.799 890 HB3 ASP 55 HB1 ASP 55 2.072 -5.246 12.173 891 H ALA 56 HN ALA 56 1.395 -9.352 12.378 892 HA ALA 56 HA ALA 56 3.663 -10.548 11.131 893 HB1 ALA 56 HB1 ALA 56 3.013 -11.126 13.426 894 HB2 ALA 56 HB2 ALA 56 3.029 -12.553 12.387 895 HB3 ALA 56 HB3 ALA 56 1.498 -11.801 12.826 896 H GLU 57 HN GLU 57 0.350 -10.179 10.322 897 HA GLU 57 HA GLU 57 0.263 -12.544 8.664 898 HB2 GLU 57 HB2 GLU 57 -1.729 -11.793 9.957 899 HB3 GLU 57 HB1 GLU 57 -1.732 -10.300 9.043 900 HG2 GLU 57 HG2 GLU 57 -3.428 -11.848 8.228 901 HG3 GLU 57 HG1 GLU 57 -2.209 -11.532 6.996 902 H LEU 58 HN LEU 58 0.378 -9.029 8.419 903 HA LEU 58 HA LEU 58 0.250 -8.980 5.608 904 HB2 LEU 58 HB2 LEU 58 1.539 -6.885 7.350 905 HB3 LEU 58 HB1 LEU 58 1.250 -6.734 5.650 906 HG LEU 58 HG LEU 58 -0.445 -5.511 6.499 907 HD11 LEU 58 HD11 LEU 58 -2.551 -6.633 6.114 908 HD12 LEU 58 HD12 LEU 58 -1.743 -8.189 6.219 909 HD13 LEU 58 HD13 LEU 58 -1.340 -7.080 4.906 910 HD21 LEU 58 HD21 LEU 58 -0.942 -7.548 8.643 911 HD22 LEU 58 HD22 LEU 58 -1.899 -6.091 8.380 912 HD23 LEU 58 HD23 LEU 58 -0.200 -5.960 8.835 913 H VAL 59 HN VAL 59 3.007 -9.378 7.746 914 HA VAL 59 HA VAL 59 4.922 -8.980 5.693 915 HB VAL 59 HB VAL 59 6.591 -10.087 7.085 916 HG11 VAL 59 HG11 VAL 59 6.125 -7.786 7.570 917 HG12 VAL 59 HG12 VAL 59 6.498 -8.647 9.063 918 HG13 VAL 59 HG13 VAL 59 4.827 -8.245 8.670 919 HG21 VAL 59 HG21 VAL 59 4.309 -10.809 8.924 920 HG22 VAL 59 HG22 VAL 59 6.016 -10.996 9.313 921 HG23 VAL 59 HG23 VAL 59 5.305 -11.927 7.992 922 H GLU 60 HN GLU 60 3.050 -11.839 6.582 923 HA GLU 60 HA GLU 60 4.697 -13.394 4.884 924 HB2 GLU 60 HB2 GLU 60 3.194 -15.295 5.273 925 HB3 GLU 60 HB1 GLU 60 3.739 -14.551 6.756 926 HG2 GLU 60 HG2 GLU 60 1.612 -13.583 7.142 927 HG3 GLU 60 HG1 GLU 60 1.048 -14.040 5.530 928 H ILE 61 HN ILE 61 1.758 -11.634 4.536 929 HA ILE 61 HA ILE 61 0.989 -12.701 2.027 930 HB ILE 61 HB ILE 61 0.460 -9.925 3.162 931 HG12 ILE 61 HG12 ILE 61 -1.256 -12.422 3.215 932 HG13 ILE 61 HG11 ILE 61 -0.388 -11.753 4.591 933 HG21 ILE 61 HG21 ILE 61 -0.915 -11.395 0.914 934 HG22 ILE 61 HG22 ILE 61 0.119 -9.978 0.743 935 HG23 ILE 61 HG23 ILE 61 -1.429 -9.849 1.584 936 HD11 ILE 61 HD11 ILE 61 -2.751 -11.210 4.692 937 HD12 ILE 61 HD12 ILE 61 -2.662 -10.447 3.106 938 HD13 ILE 61 HD13 ILE 61 -1.794 -9.744 4.474 939 H VAL 62 HN VAL 62 3.074 -10.060 3.003 940 HA VAL 62 HA VAL 62 3.694 -8.997 0.477 941 HB VAL 62 HB VAL 62 5.283 -8.962 3.062 942 HG11 VAL 62 HG11 VAL 62 5.762 -7.368 0.520 943 HG12 VAL 62 HG12 VAL 62 6.817 -8.634 1.151 944 HG13 VAL 62 HG13 VAL 62 6.605 -7.134 2.052 945 HG21 VAL 62 HG21 VAL 62 4.533 -6.679 3.159 946 HG22 VAL 62 HG22 VAL 62 3.191 -7.845 3.124 947 HG23 VAL 62 HG23 VAL 62 3.619 -6.931 1.662 948 H LYS 63 HN LYS 63 5.492 -11.268 2.487 949 HA LYS 63 HA LYS 63 7.540 -11.564 0.683 950 HB2 LYS 63 HB2 LYS 63 8.252 -13.519 1.973 951 HB3 LYS 63 HB1 LYS 63 7.747 -12.204 3.026 952 HG2 LYS 63 HG2 LYS 63 5.528 -13.302 3.188 953 HG3 LYS 63 HG1 LYS 63 6.200 -14.667 2.319 954 HD2 LYS 63 HD2 LYS 63 7.201 -13.614 4.954 955 HD3 LYS 63 HD1 LYS 63 6.223 -15.062 4.724 956 HE2 LYS 63 HE2 LYS 63 8.041 -15.927 3.235 957 HE3 LYS 63 HE1 LYS 63 8.997 -14.551 3.725 958 HZ1 LYS 63 HZ1 LYS 63 8.883 -15.229 6.027 959 HZ2 LYS 63 HZ2 LYS 63 9.533 -16.478 5.111 960 HZ3 LYS 63 HZ3 LYS 63 7.945 -16.570 5.643 961 H GLU 64 HN GLU 64 4.424 -13.000 0.795 962 HA GLU 64 HA GLU 64 4.909 -15.196 -0.923 963 HB2 GLU 64 HB2 GLU 64 3.019 -15.358 0.495 964 HB3 GLU 64 HB1 GLU 64 2.404 -13.790 -0.017 965 HG2 GLU 64 HG2 GLU 64 1.908 -14.681 -2.196 966 HG3 GLU 64 HG1 GLU 64 2.565 -16.245 -1.758 967 H ARG 65 HN ARG 65 3.040 -12.237 -1.442 968 HA ARG 65 HA ARG 65 2.780 -12.651 -4.196 969 HB2 ARG 65 HB2 ARG 65 2.519 -10.212 -2.535 970 HB3 ARG 65 HB1 ARG 65 2.078 -10.221 -4.250 971 HG2 ARG 65 HG2 ARG 65 0.434 -12.053 -3.611 972 HG3 ARG 65 HG1 ARG 65 0.813 -11.669 -1.928 973 HD2 ARG 65 HD2 ARG 65 0.178 -9.303 -2.398 974 HD3 ARG 65 HD1 ARG 65 -0.344 -9.804 -4.002 975 HE ARG 65 HE ARG 65 -1.517 -11.246 -1.817 976 HH11 ARG 65 HH11 ARG 65 -1.953 -8.611 -4.214 977 HH12 ARG 65 HH12 ARG 65 -3.558 -8.318 -3.785 978 HH21 ARG 65 HH21 ARG 65 -3.789 -10.827 -1.267 979 HH22 ARG 65 HH22 ARG 65 -4.649 -9.622 -2.082 980 H LEU 66 HN LEU 66 5.273 -11.104 -2.350 981 HA LEU 66 HA LEU 66 6.320 -9.364 -4.241 982 HB2 LEU 66 HB2 LEU 66 6.797 -9.514 -1.774 983 HB3 LEU 66 HB1 LEU 66 7.869 -10.824 -2.149 984 HG LEU 66 HG LEU 66 9.348 -9.395 -3.415 985 HD11 LEU 66 HD11 LEU 66 7.702 -7.904 -4.398 986 HD12 LEU 66 HD12 LEU 66 8.923 -6.955 -3.547 987 HD13 LEU 66 HD13 LEU 66 7.334 -7.229 -2.817 988 HD21 LEU 66 HD21 LEU 66 10.109 -7.935 -1.591 989 HD22 LEU 66 HD22 LEU 66 9.651 -9.533 -0.989 990 HD23 LEU 66 HD23 LEU 66 8.565 -8.169 -0.767 991 H ARG 67 HN ARG 67 6.624 -12.796 -4.056 992 HA ARG 67 HA ARG 67 9.077 -12.960 -5.501 993 HB2 ARG 67 HB2 ARG 67 8.700 -15.375 -5.641 994 HB3 ARG 67 HB1 ARG 67 8.384 -14.794 -4.022 995 HG2 ARG 67 HG2 ARG 67 5.912 -14.766 -4.740 996 HG3 ARG 67 HG1 ARG 67 6.449 -15.787 -6.077 997 HD2 ARG 67 HD2 ARG 67 5.669 -17.129 -4.183 998 HD3 ARG 67 HD1 ARG 67 7.402 -17.381 -4.462 999 HE ARG 67 HE ARG 67 6.646 -15.349 -2.543 1000 HH11 ARG 67 HH11 ARG 67 7.709 -18.721 -2.954 1001 HH12 ARG 67 HH12 ARG 67 8.297 -18.855 -1.372 1002 HH21 ARG 67 HH21 ARG 67 7.463 -15.556 -0.409 1003 HH22 ARG 67 HH22 ARG 67 8.147 -17.029 0.131 1004 H ASN 68 HN ASN 68 5.691 -13.104 -6.466 1005 HA ASN 68 HA ASN 68 6.462 -12.354 -9.124 1006 HB2 ASN 68 HB2 ASN 68 4.973 -14.950 -8.657 1007 HB3 ASN 68 HB1 ASN 68 4.921 -14.094 -10.187 1008 HD21 ASN 68 HD21 ASN 68 6.803 -14.038 -11.475 1009 HD22 ASN 68 HD22 ASN 68 8.061 -15.179 -11.228 1010 HA PRO 69 HA PRO 69 2.492 -10.597 -7.728 1011 HB2 PRO 69 HB2 PRO 69 3.271 -7.997 -7.676 1012 HB3 PRO 69 HB1 PRO 69 3.371 -9.076 -6.278 1013 HG2 PRO 69 HG2 PRO 69 5.522 -7.952 -7.913 1014 HG3 PRO 69 HG1 PRO 69 5.620 -8.760 -6.347 1015 HD2 PRO 69 HD2 PRO 69 6.225 -9.813 -8.955 1016 HD3 PRO 69 HD1 PRO 69 6.406 -10.602 -7.380 1017 H LYS 70 HN LYS 70 4.721 -9.668 -10.167 1018 HA LYS 70 HA LYS 70 4.612 -8.631 -12.148 1019 HB2 LYS 70 HB2 LYS 70 1.860 -9.888 -12.160 1020 HB3 LYS 70 HB1 LYS 70 2.363 -8.848 -13.476 1021 HG2 LYS 70 HG2 LYS 70 2.703 -11.108 -14.144 1022 HG3 LYS 70 HG1 LYS 70 4.282 -10.387 -13.882 1023 HD2 LYS 70 HD2 LYS 70 4.305 -11.464 -11.620 1024 HD3 LYS 70 HD1 LYS 70 2.817 -12.287 -12.037 1025 HE2 LYS 70 HE2 LYS 70 5.414 -12.519 -13.530 1026 HE3 LYS 70 HE1 LYS 70 4.750 -13.710 -12.416 1027 HZ1 LYS 70 HZ1 LYS 70 3.534 -12.857 -14.998 1028 HZ2 LYS 70 HZ2 LYS 70 2.848 -13.978 -13.944 1029 HZ3 LYS 70 HZ3 LYS 70 4.300 -14.320 -14.710 1030 HA PRO 71 HA PRO 71 2.844 -4.874 -10.255 1031 HB2 PRO 71 HB2 PRO 71 5.049 -3.390 -10.518 1032 HB3 PRO 71 HB1 PRO 71 4.804 -4.498 -9.171 1033 HG2 PRO 71 HG2 PRO 71 6.439 -4.824 -11.625 1034 HG3 PRO 71 HG1 PRO 71 6.787 -5.246 -9.930 1035 HD2 PRO 71 HD2 PRO 71 5.936 -7.055 -11.821 1036 HD3 PRO 71 HD1 PRO 71 5.635 -7.248 -10.083 1037 H VAL 72 HN VAL 72 2.281 -2.984 -11.122 1038 HA VAL 72 HA VAL 72 2.769 -2.462 -13.959 1039 HB VAL 72 HB VAL 72 0.089 -2.199 -12.533 1040 HG11 VAL 72 HG11 VAL 72 0.823 -1.660 -15.397 1041 HG12 VAL 72 HG12 VAL 72 0.419 -0.455 -14.177 1042 HG13 VAL 72 HG13 VAL 72 -0.810 -1.596 -14.730 1043 HG21 VAL 72 HG21 VAL 72 -0.716 -3.921 -14.103 1044 HG22 VAL 72 HG22 VAL 72 0.538 -4.533 -13.023 1045 HG23 VAL 72 HG23 VAL 72 0.931 -4.119 -14.694 1046 H ARG 73 HN ARG 73 3.854 -0.588 -13.916 1047 HA ARG 73 HA ARG 73 3.830 1.186 -11.702 1048 HB2 ARG 73 HB2 ARG 73 5.717 0.907 -13.415 1049 HB3 ARG 73 HB1 ARG 73 4.745 1.855 -14.520 1050 HG2 ARG 73 HG2 ARG 73 5.704 2.871 -11.838 1051 HG3 ARG 73 HG1 ARG 73 6.585 3.108 -13.337 1052 HD2 ARG 73 HD2 ARG 73 3.792 4.122 -12.732 1053 HD3 ARG 73 HD1 ARG 73 5.259 5.092 -12.666 1054 HE ARG 73 HE ARG 73 5.392 4.336 -15.156 1055 HH11 ARG 73 HH11 ARG 73 2.449 5.291 -13.427 1056 HH12 ARG 73 HH12 ARG 73 1.681 5.937 -14.812 1057 HH21 ARG 73 HH21 ARG 73 4.315 5.311 -17.028 1058 HH22 ARG 73 HH22 ARG 73 2.744 5.976 -16.855 1059 H VAL 74 HN VAL 74 2.278 2.489 -11.183 1060 HA VAL 74 HA VAL 74 0.626 3.650 -13.284 1061 HB VAL 74 HB VAL 74 -1.361 3.508 -11.737 1062 HG11 VAL 74 HG11 VAL 74 -1.860 1.151 -12.164 1063 HG12 VAL 74 HG12 VAL 74 -0.158 0.862 -12.531 1064 HG13 VAL 74 HG13 VAL 74 -1.115 1.921 -13.566 1065 HG21 VAL 74 HG21 VAL 74 0.426 1.642 -10.185 1066 HG22 VAL 74 HG22 VAL 74 -1.301 1.882 -9.906 1067 HG23 VAL 74 HG23 VAL 74 -0.168 3.209 -9.644 1068 H THR 75 HN THR 75 -0.853 5.330 -12.042 1069 HA THR 75 HA THR 75 0.761 6.979 -10.272 1070 HB THR 75 HB THR 75 -0.166 8.973 -11.579 1071 HG1 THR 75 HG1 THR 75 -0.686 6.927 -13.532 1072 HG21 THR 75 HG21 THR 75 2.193 8.331 -11.764 1073 HG22 THR 75 HG22 THR 75 1.586 8.876 -13.330 1074 HG23 THR 75 HG23 THR 75 1.783 7.155 -13.010 1075 H LEU 76 HN LEU 76 -0.657 8.553 -9.091 1076 HA LEU 76 HA LEU 76 -3.131 7.353 -8.259 1077 HB2 LEU 76 HB2 LEU 76 -2.016 10.097 -7.737 1078 HB3 LEU 76 HB1 LEU 76 -3.369 9.371 -6.894 1079 HG LEU 76 HG LEU 76 -0.600 8.292 -6.907 1080 HD11 LEU 76 HD11 LEU 76 -0.690 10.470 -5.767 1081 HD12 LEU 76 HD12 LEU 76 -0.510 9.182 -4.576 1082 HD13 LEU 76 HD13 LEU 76 -2.085 9.934 -4.830 1083 HD21 LEU 76 HD21 LEU 76 -1.385 6.963 -4.995 1084 HD22 LEU 76 HD22 LEU 76 -2.244 6.600 -6.479 1085 HD23 LEU 76 HD23 LEU 76 -3.010 7.602 -5.240 1086 H ASP 77 HN ASP 77 -2.115 9.561 -10.541 1087 HA ASP 77 HA ASP 77 -4.397 11.128 -11.027 1088 HB2 ASP 77 HB2 ASP 77 -2.144 11.719 -11.738 1089 HB3 ASP 77 HB1 ASP 77 -2.094 10.321 -12.792 1090 H GLU 78 HN GLU 78 -3.471 7.916 -11.994 1091 HA GLU 78 HA GLU 78 -5.697 7.785 -13.899 1092 HB2 GLU 78 HB2 GLU 78 -4.626 5.807 -14.806 1093 HB3 GLU 78 HB1 GLU 78 -3.485 7.145 -14.764 1094 HG2 GLU 78 HG2 GLU 78 -2.511 6.242 -12.724 1095 HG3 GLU 78 HG1 GLU 78 -3.637 4.889 -12.784 1096 H LEU 79 HN LEU 79 -5.239 7.206 -10.695 1097 HA LEU 79 HA LEU 79 -6.605 4.660 -10.630 1098 HB2 LEU 79 HB2 LEU 79 -5.966 6.538 -8.356 1099 HB3 LEU 79 HB1 LEU 79 -6.635 4.930 -8.183 1100 HG LEU 79 HG LEU 79 -3.871 5.679 -9.099 1101 HD11 LEU 79 HD11 LEU 79 -3.184 4.423 -7.132 1102 HD12 LEU 79 HD12 LEU 79 -4.873 4.122 -6.735 1103 HD13 LEU 79 HD13 LEU 79 -4.242 5.768 -6.703 1104 HD21 LEU 79 HD21 LEU 79 -4.619 3.801 -10.445 1105 HD22 LEU 79 HD22 LEU 79 -5.137 2.945 -8.992 1106 HD23 LEU 79 HD23 LEU 79 -3.423 3.271 -9.263 Start of MODEL 19 1 H MET 1 H MET 1 5.545 11.217 -9.259 2 HA MET 1 HA MET 1 5.479 13.396 -8.620 3 HB2 MET 1 HB2 MET 1 5.049 12.355 -5.805 4 HB3 MET 1 HB1 MET 1 5.502 14.012 -6.168 5 HG2 MET 1 HG2 MET 1 2.973 12.632 -7.023 6 HG3 MET 1 HG1 MET 1 3.125 13.833 -5.743 7 HE1 MET 1 HE1 MET 1 1.012 14.082 -8.099 8 HE2 MET 1 HE2 MET 1 1.183 15.801 -8.479 9 HE3 MET 1 HE3 MET 1 1.203 15.264 -6.802 10 H ALA 2 HN ALA 2 7.059 12.626 -5.646 11 HA ALA 2 HA ALA 2 9.619 12.732 -6.921 12 HB1 ALA 2 HB1 ALA 2 8.780 12.007 -4.112 13 HB2 ALA 2 HB2 ALA 2 9.316 13.595 -4.658 14 HB3 ALA 2 HB3 ALA 2 10.451 12.243 -4.626 15 H TYR 3 HN TYR 3 7.942 10.353 -4.939 16 HA TYR 3 HA TYR 3 9.293 8.199 -6.280 17 HB2 TYR 3 HB2 TYR 3 7.216 8.284 -4.073 18 HB3 TYR 3 HB1 TYR 3 7.757 6.782 -4.803 19 HD1 TYR 3 HD2 TYR 3 9.115 9.803 -3.054 20 HD2 TYR 3 HD1 TYR 3 9.575 5.655 -3.873 21 HE1 TYR 3 HE2 TYR 3 11.015 9.710 -1.495 22 HE2 TYR 3 HE1 TYR 3 11.472 5.548 -2.314 23 HH TYR 3 HH TYR 3 13.145 7.047 -1.349 24 H PHE 4 HN PHE 4 8.322 6.768 -7.596 25 HA PHE 4 HA PHE 4 5.994 7.756 -9.033 26 HB2 PHE 4 HB2 PHE 4 7.714 5.339 -9.602 27 HB3 PHE 4 HB1 PHE 4 6.569 6.099 -10.695 28 HD1 PHE 4 HD2 PHE 4 7.060 8.311 -11.649 29 HD2 PHE 4 HD1 PHE 4 9.901 6.198 -9.315 30 HE1 PHE 4 HE2 PHE 4 8.848 9.766 -12.512 31 HE2 PHE 4 HE1 PHE 4 11.687 7.632 -10.164 32 HZ PHE 4 HZ PHE 4 11.171 9.418 -11.763 33 H LEU 5 HN LEU 5 4.521 5.596 -9.838 34 HA LEU 5 HA LEU 5 3.899 4.385 -7.276 35 HB2 LEU 5 HB2 LEU 5 2.440 6.269 -7.879 36 HB3 LEU 5 HB1 LEU 5 2.021 5.450 -9.362 37 HG LEU 5 HG LEU 5 0.959 3.672 -8.084 38 HD11 LEU 5 HD11 LEU 5 1.609 5.415 -5.687 39 HD12 LEU 5 HD12 LEU 5 2.272 3.811 -6.008 40 HD13 LEU 5 HD13 LEU 5 0.560 4.000 -5.662 41 HD21 LEU 5 HD21 LEU 5 -0.371 5.489 -8.882 42 HD22 LEU 5 HD22 LEU 5 0.106 6.479 -7.513 43 HD23 LEU 5 HD23 LEU 5 -0.926 5.085 -7.253 44 H ASP 6 HN ASP 6 3.552 2.289 -7.317 45 HA ASP 6 HA ASP 6 3.026 0.908 -9.840 46 HB2 ASP 6 HB2 ASP 6 5.381 0.326 -8.028 47 HB3 ASP 6 HB1 ASP 6 4.671 -0.946 -9.004 48 H PHE 7 HN PHE 7 1.816 -0.944 -9.606 49 HA PHE 7 HA PHE 7 0.988 -1.647 -6.865 50 HB2 PHE 7 HB2 PHE 7 -0.764 -0.918 -9.166 51 HB3 PHE 7 HB1 PHE 7 -1.306 -2.124 -8.013 52 HD1 PHE 7 HD2 PHE 7 -0.231 1.387 -8.350 53 HD2 PHE 7 HD1 PHE 7 -2.201 -1.505 -5.955 54 HE1 PHE 7 HE2 PHE 7 -1.093 3.170 -6.902 55 HE2 PHE 7 HE1 PHE 7 -3.067 0.281 -4.502 56 HZ PHE 7 HZ PHE 7 -2.514 2.619 -4.980 57 H ASP 8 HN ASP 8 0.723 -3.725 -6.468 58 HA ASP 8 HA ASP 8 1.593 -5.755 -8.180 59 HB2 ASP 8 HB2 ASP 8 1.619 -6.269 -5.896 60 HB3 ASP 8 HB1 ASP 8 -0.003 -5.647 -5.643 61 H GLU 9 HN GLU 9 0.500 -7.162 -9.530 62 HA GLU 9 HA GLU 9 -1.551 -6.291 -11.118 63 HB2 GLU 9 HB2 GLU 9 0.209 -8.370 -11.053 64 HB3 GLU 9 HB1 GLU 9 -1.339 -9.164 -10.773 65 HG2 GLU 9 HG2 GLU 9 -1.014 -7.302 -13.066 66 HG3 GLU 9 HG1 GLU 9 -0.405 -8.947 -13.179 67 H ARG 10 HN ARG 10 -1.807 -8.325 -8.200 68 HA ARG 10 HA ARG 10 -4.636 -8.702 -8.576 69 HB2 ARG 10 HB2 ARG 10 -2.730 -9.475 -6.372 70 HB3 ARG 10 HB1 ARG 10 -4.464 -9.632 -6.163 71 HG2 ARG 10 HG2 ARG 10 -2.952 -10.931 -8.417 72 HG3 ARG 10 HG1 ARG 10 -3.268 -11.718 -6.866 73 HD2 ARG 10 HD2 ARG 10 -5.643 -11.501 -7.186 74 HD3 ARG 10 HD1 ARG 10 -5.414 -10.589 -8.668 75 HE ARG 10 HE ARG 10 -4.152 -13.107 -8.853 76 HH11 ARG 10 HH11 ARG 10 -7.380 -11.671 -8.805 77 HH12 ARG 10 HH12 ARG 10 -8.073 -12.818 -9.861 78 HH21 ARG 10 HH21 ARG 10 -5.123 -14.716 -10.290 79 HH22 ARG 10 HH22 ARG 10 -6.776 -14.564 -10.708 80 H ALA 11 HN ALA 11 -2.542 -6.605 -6.767 81 HA ALA 11 HA ALA 11 -4.430 -5.416 -5.058 82 HB1 ALA 11 HB1 ALA 11 -2.855 -3.545 -4.858 83 HB2 ALA 11 HB2 ALA 11 -1.956 -4.156 -6.250 84 HB3 ALA 11 HB3 ALA 11 -2.027 -5.100 -4.760 85 H LEU 12 HN LEU 12 -3.647 -4.751 -8.418 86 HA LEU 12 HA LEU 12 -5.227 -2.430 -8.839 87 HB2 LEU 12 HB2 LEU 12 -4.516 -4.713 -10.664 88 HB3 LEU 12 HB1 LEU 12 -5.653 -3.487 -11.188 89 HG LEU 12 HG LEU 12 -3.695 -1.825 -10.715 90 HD11 LEU 12 HD11 LEU 12 -1.509 -2.684 -10.905 91 HD12 LEU 12 HD12 LEU 12 -2.129 -4.332 -10.918 92 HD13 LEU 12 HD13 LEU 12 -2.315 -3.337 -9.477 93 HD21 LEU 12 HD21 LEU 12 -2.776 -2.207 -12.934 94 HD22 LEU 12 HD22 LEU 12 -4.535 -2.348 -12.936 95 HD23 LEU 12 HD23 LEU 12 -3.534 -3.799 -12.978 96 H LYS 13 HN LYS 13 -6.135 -5.749 -8.831 97 HA LYS 13 HA LYS 13 -8.815 -5.325 -9.689 98 HB2 LYS 13 HB2 LYS 13 -7.835 -7.669 -8.051 99 HB3 LYS 13 HB1 LYS 13 -9.117 -7.649 -9.256 100 HG2 LYS 13 HG2 LYS 13 -6.151 -7.400 -9.793 101 HG3 LYS 13 HG1 LYS 13 -7.175 -8.790 -10.126 102 HD2 LYS 13 HD2 LYS 13 -8.306 -7.690 -11.852 103 HD3 LYS 13 HD1 LYS 13 -7.762 -6.101 -11.318 104 HE2 LYS 13 HE2 LYS 13 -6.566 -6.759 -13.300 105 HE3 LYS 13 HE1 LYS 13 -5.476 -6.692 -11.922 106 HZ1 LYS 13 HZ1 LYS 13 -4.964 -8.576 -13.112 107 HZ2 LYS 13 HZ2 LYS 13 -6.569 -9.104 -13.247 108 HZ3 LYS 13 HZ3 LYS 13 -5.773 -9.155 -11.755 109 H GLU 14 HN GLU 14 -7.158 -5.627 -6.686 110 HA GLU 14 HA GLU 14 -9.286 -5.820 -4.935 111 HB2 GLU 14 HB2 GLU 14 -6.523 -4.813 -4.583 112 HB3 GLU 14 HB1 GLU 14 -7.632 -5.039 -3.230 113 HG2 GLU 14 HG2 GLU 14 -6.693 -7.174 -5.158 114 HG3 GLU 14 HG1 GLU 14 -6.110 -6.958 -3.512 115 H TRP 15 HN TRP 15 -7.593 -2.847 -6.015 116 HA TRP 15 HA TRP 15 -9.182 -1.298 -4.235 117 HB2 TRP 15 HB2 TRP 15 -8.297 0.732 -5.138 118 HB3 TRP 15 HB1 TRP 15 -6.990 -0.420 -5.249 119 HD1 TRP 15 HD1 TRP 15 -9.752 0.964 -7.664 120 HE1 TRP 15 HE1 TRP 15 -8.681 1.363 -9.963 121 HE3 TRP 15 HE3 TRP 15 -5.005 -0.655 -6.659 122 HZ2 TRP 15 HZ2 TRP 15 -6.194 1.068 -11.181 123 HZ3 TRP 15 HZ3 TRP 15 -3.339 -0.534 -8.462 124 HH2 TRP 15 HH2 TRP 15 -3.923 0.312 -10.671 125 H ARG 16 HN ARG 16 -9.720 -2.558 -7.331 126 HA ARG 16 HA ARG 16 -11.858 -0.758 -8.018 127 HB2 ARG 16 HB2 ARG 16 -11.204 -3.398 -9.311 128 HB3 ARG 16 HB1 ARG 16 -12.097 -2.050 -10.013 129 HG2 ARG 16 HG2 ARG 16 -10.044 -0.670 -9.809 130 HG3 ARG 16 HG1 ARG 16 -9.197 -2.107 -9.273 131 HD2 ARG 16 HD2 ARG 16 -10.377 -1.542 -11.965 132 HD3 ARG 16 HD1 ARG 16 -8.710 -1.814 -11.538 133 HE ARG 16 HE ARG 16 -10.419 -4.062 -10.983 134 HH11 ARG 16 HH11 ARG 16 -8.129 -2.587 -13.240 135 HH12 ARG 16 HH12 ARG 16 -8.036 -3.926 -14.266 136 HH21 ARG 16 HH21 ARG 16 -10.331 -5.914 -12.407 137 HH22 ARG 16 HH22 ARG 16 -9.354 -5.873 -13.811 138 H LYS 17 HN LYS 17 -11.621 -3.592 -6.144 139 HA LYS 17 HA LYS 17 -14.492 -4.062 -6.423 140 HB2 LYS 17 HB2 LYS 17 -14.016 -6.275 -5.312 141 HB3 LYS 17 HB1 LYS 17 -13.309 -6.037 -6.902 142 HG2 LYS 17 HG2 LYS 17 -11.638 -7.078 -5.676 143 HG3 LYS 17 HG1 LYS 17 -11.184 -5.382 -5.689 144 HD2 LYS 17 HD2 LYS 17 -10.788 -6.025 -3.474 145 HD3 LYS 17 HD1 LYS 17 -12.389 -5.293 -3.395 146 HE2 LYS 17 HE2 LYS 17 -12.272 -7.377 -2.141 147 HE3 LYS 17 HE1 LYS 17 -13.413 -7.492 -3.482 148 HZ1 LYS 17 HZ1 LYS 17 -11.846 -9.429 -3.179 149 HZ2 LYS 17 HZ2 LYS 17 -10.598 -8.410 -3.732 150 HZ3 LYS 17 HZ3 LYS 17 -11.889 -8.770 -4.719 151 H LEU 18 HN LEU 18 -12.485 -2.408 -4.390 152 HA LEU 18 HA LEU 18 -13.968 -3.251 -2.051 153 HB2 LEU 18 HB2 LEU 18 -12.440 -1.740 -0.735 154 HB3 LEU 18 HB1 LEU 18 -11.707 -3.117 -1.511 155 HG LEU 18 HG LEU 18 -10.892 -1.576 -3.306 156 HD11 LEU 18 HD11 LEU 18 -10.763 0.802 -2.856 157 HD12 LEU 18 HD12 LEU 18 -11.719 0.579 -1.394 158 HD13 LEU 18 HD13 LEU 18 -12.452 0.281 -2.977 159 HD21 LEU 18 HD21 LEU 18 -9.990 -1.056 -0.492 160 HD22 LEU 18 HD22 LEU 18 -9.083 -0.655 -1.946 161 HD23 LEU 18 HD23 LEU 18 -9.433 -2.345 -1.566 162 H GLY 19 HN GLY 19 -14.262 -0.822 -4.314 163 HA2 GLY 19 HA2 GLY 19 -16.550 0.159 -4.046 164 HA3 GLY 19 HA1 GLY 19 -15.994 0.647 -2.451 165 H SER 20 HN SER 20 -16.441 2.805 -3.021 166 HA SER 20 HA SER 20 -14.465 3.925 -4.859 167 HB2 SER 20 HB2 SER 20 -17.290 4.874 -4.391 168 HB3 SER 20 HB1 SER 20 -16.100 5.705 -5.402 169 HG SER 20 HG SER 20 -15.926 3.509 -6.429 170 H THR 21 HN THR 21 -16.343 4.620 -1.879 171 HA THR 21 HA THR 21 -15.111 7.030 -1.219 172 HB THR 21 HB THR 21 -16.180 4.919 0.683 173 HG1 THR 21 HG1 THR 21 -17.512 7.077 -0.593 174 HG21 THR 21 HG21 THR 21 -15.971 7.934 0.950 175 HG22 THR 21 HG22 THR 21 -14.959 6.757 1.785 176 HG23 THR 21 HG23 THR 21 -16.685 6.841 2.137 177 H VAL 22 HN VAL 22 -14.263 3.719 -0.378 178 HA VAL 22 HA VAL 22 -12.116 4.314 1.317 179 HB VAL 22 HB VAL 22 -12.689 1.830 -0.310 180 HG11 VAL 22 HG11 VAL 22 -11.135 0.649 1.198 181 HG12 VAL 22 HG12 VAL 22 -10.727 2.184 1.965 182 HG13 VAL 22 HG13 VAL 22 -10.296 1.902 0.281 183 HG21 VAL 22 HG21 VAL 22 -14.379 2.388 1.352 184 HG22 VAL 22 HG22 VAL 22 -13.137 2.452 2.602 185 HG23 VAL 22 HG23 VAL 22 -13.506 0.924 1.803 186 H ARG 23 HN ARG 23 -12.168 3.743 -2.189 187 HA ARG 23 HA ARG 23 -9.321 3.737 -2.356 188 HB2 ARG 23 HB2 ARG 23 -9.543 3.678 -4.781 189 HB3 ARG 23 HB1 ARG 23 -10.633 2.523 -4.040 190 HG2 ARG 23 HG2 ARG 23 -12.481 4.089 -4.362 191 HG3 ARG 23 HG1 ARG 23 -11.374 5.220 -5.132 192 HD2 ARG 23 HD2 ARG 23 -12.073 2.451 -6.102 193 HD3 ARG 23 HD1 ARG 23 -12.590 3.971 -6.826 194 HE ARG 23 HE ARG 23 -9.960 2.755 -6.933 195 HH11 ARG 23 HH11 ARG 23 -11.935 5.606 -7.727 196 HH12 ARG 23 HH12 ARG 23 -10.945 6.102 -9.010 197 HH21 ARG 23 HH21 ARG 23 -8.595 3.473 -8.754 198 HH22 ARG 23 HH22 ARG 23 -9.027 4.877 -9.615 199 H GLU 24 HN GLU 24 -11.681 6.284 -2.518 200 HA GLU 24 HA GLU 24 -9.990 8.240 -3.697 201 HB2 GLU 24 HB2 GLU 24 -12.315 8.583 -1.795 202 HB3 GLU 24 HB1 GLU 24 -11.516 9.900 -2.636 203 HG2 GLU 24 HG2 GLU 24 -12.176 8.861 -4.785 204 HG3 GLU 24 HG1 GLU 24 -13.065 7.642 -3.872 205 H GLN 25 HN GLN 25 -10.699 7.299 -0.408 206 HA GLN 25 HA GLN 25 -9.079 9.157 0.931 207 HB2 GLN 25 HB2 GLN 25 -9.887 6.357 1.762 208 HB3 GLN 25 HB1 GLN 25 -9.225 7.582 2.836 209 HG2 GLN 25 HG2 GLN 25 -11.180 8.994 2.440 210 HG3 GLN 25 HG1 GLN 25 -11.814 7.784 1.322 211 HE21 GLN 25 HE21 GLN 25 -12.716 5.978 2.084 212 HE22 GLN 25 HE22 GLN 25 -13.178 5.733 3.729 213 H LEU 26 HN LEU 26 -8.473 5.912 -0.282 214 HA LEU 26 HA LEU 26 -5.844 5.619 0.595 215 HB2 LEU 26 HB2 LEU 26 -7.161 4.482 -1.864 216 HB3 LEU 26 HB1 LEU 26 -5.590 3.990 -1.273 217 HG LEU 26 HG LEU 26 -8.195 3.660 0.221 218 HD11 LEU 26 HD11 LEU 26 -8.063 2.200 -1.725 219 HD12 LEU 26 HD12 LEU 26 -7.896 1.280 -0.231 220 HD13 LEU 26 HD13 LEU 26 -6.474 1.645 -1.203 221 HD21 LEU 26 HD21 LEU 26 -5.403 2.700 0.866 222 HD22 LEU 26 HD22 LEU 26 -6.867 2.259 1.741 223 HD23 LEU 26 HD23 LEU 26 -6.315 3.929 1.747 224 H LYS 27 HN LYS 27 -7.063 7.073 -2.403 225 HA LYS 27 HA LYS 27 -4.540 7.545 -3.538 226 HB2 LYS 27 HB2 LYS 27 -7.132 9.029 -3.956 227 HB3 LYS 27 HB1 LYS 27 -5.660 9.375 -4.853 228 HG2 LYS 27 HG2 LYS 27 -5.660 7.049 -5.685 229 HG3 LYS 27 HG1 LYS 27 -7.183 6.774 -4.841 230 HD2 LYS 27 HD2 LYS 27 -7.550 7.253 -7.224 231 HD3 LYS 27 HD1 LYS 27 -8.263 8.501 -6.203 232 HE2 LYS 27 HE2 LYS 27 -6.378 9.974 -6.642 233 HE3 LYS 27 HE1 LYS 27 -5.569 8.712 -7.574 234 HZ1 LYS 27 HZ1 LYS 27 -7.336 8.848 -9.207 235 HZ2 LYS 27 HZ2 LYS 27 -6.673 10.368 -8.964 236 HZ3 LYS 27 HZ3 LYS 27 -8.163 9.980 -8.274 237 H LYS 28 HN LYS 28 -6.371 9.445 -1.240 238 HA LYS 28 HA LYS 28 -4.671 11.725 -1.224 239 HB2 LYS 28 HB2 LYS 28 -6.676 10.587 0.683 240 HB3 LYS 28 HB1 LYS 28 -5.566 11.787 1.289 241 HG2 LYS 28 HG2 LYS 28 -7.757 12.738 0.686 242 HG3 LYS 28 HG1 LYS 28 -6.448 13.442 -0.239 243 HD2 LYS 28 HD2 LYS 28 -8.140 11.215 -1.355 244 HD3 LYS 28 HD1 LYS 28 -8.681 12.891 -1.419 245 HE2 LYS 28 HE2 LYS 28 -6.611 13.471 -2.653 246 HE3 LYS 28 HE1 LYS 28 -6.145 11.771 -2.615 247 HZ1 LYS 28 HZ1 LYS 28 -7.143 12.327 -4.696 248 HZ2 LYS 28 HZ2 LYS 28 -8.516 12.917 -3.953 249 HZ3 LYS 28 HZ3 LYS 28 -8.182 11.271 -3.881 250 H LYS 29 HN LYS 29 -4.586 8.669 0.493 251 HA LYS 29 HA LYS 29 -2.372 9.416 2.122 252 HB2 LYS 29 HB2 LYS 29 -3.770 6.832 1.599 253 HB3 LYS 29 HB1 LYS 29 -2.165 6.778 2.291 254 HG2 LYS 29 HG2 LYS 29 -3.671 6.596 4.093 255 HG3 LYS 29 HG1 LYS 29 -3.061 8.241 4.175 256 HD2 LYS 29 HD2 LYS 29 -5.710 7.472 2.943 257 HD3 LYS 29 HD1 LYS 29 -5.524 7.868 4.642 258 HE2 LYS 29 HE2 LYS 29 -4.914 9.684 2.320 259 HE3 LYS 29 HE1 LYS 29 -6.370 9.748 3.304 260 HZ1 LYS 29 HZ1 LYS 29 -4.835 10.184 5.233 261 HZ2 LYS 29 HZ2 LYS 29 -5.006 11.362 4.089 262 HZ3 LYS 29 HZ3 LYS 29 -3.591 10.482 4.089 263 H LEU 30 HN LEU 30 -2.699 8.237 -1.053 264 HA LEU 30 HA LEU 30 0.010 7.336 -1.195 265 HB2 LEU 30 HB2 LEU 30 -2.048 7.681 -3.359 266 HB3 LEU 30 HB1 LEU 30 -0.454 6.987 -3.592 267 HG LEU 30 HG LEU 30 -2.599 5.828 -1.809 268 HD11 LEU 30 HD11 LEU 30 -3.199 5.688 -4.164 269 HD12 LEU 30 HD12 LEU 30 -2.815 4.103 -3.494 270 HD13 LEU 30 HD13 LEU 30 -1.644 4.935 -4.522 271 HD21 LEU 30 HD21 LEU 30 0.093 4.742 -2.649 272 HD22 LEU 30 HD22 LEU 30 -1.127 3.855 -1.740 273 HD23 LEU 30 HD23 LEU 30 -0.357 5.269 -1.025 274 H VAL 31 HN VAL 31 -1.736 10.266 -2.050 275 HA VAL 31 HA VAL 31 0.440 11.299 -3.562 276 HB VAL 31 HB VAL 31 -1.913 12.135 -3.836 277 HG11 VAL 31 HG11 VAL 31 -2.600 12.300 -1.545 278 HG12 VAL 31 HG12 VAL 31 -2.793 13.857 -2.356 279 HG13 VAL 31 HG13 VAL 31 -1.432 13.591 -1.264 280 HG21 VAL 31 HG21 VAL 31 -0.094 13.411 -4.791 281 HG22 VAL 31 HG22 VAL 31 0.149 14.258 -3.264 282 HG23 VAL 31 HG23 VAL 31 -1.335 14.508 -4.184 283 H GLU 32 HN GLU 32 -0.162 11.076 -0.188 284 HA GLU 32 HA GLU 32 1.815 13.118 0.428 285 HB2 GLU 32 HB2 GLU 32 1.226 12.642 2.786 286 HB3 GLU 32 HB1 GLU 32 -0.202 13.030 1.836 287 HG2 GLU 32 HG2 GLU 32 -0.691 10.631 1.643 288 HG3 GLU 32 HG1 GLU 32 0.707 10.282 2.651 289 H VAL 33 HN VAL 33 1.464 9.761 -0.042 290 HA VAL 33 HA VAL 33 3.664 8.951 1.573 291 HB VAL 33 HB VAL 33 1.521 7.622 0.738 292 HG11 VAL 33 HG11 VAL 33 2.017 7.617 -1.623 293 HG12 VAL 33 HG12 VAL 33 2.000 5.972 -0.980 294 HG13 VAL 33 HG13 VAL 33 3.534 6.781 -1.306 295 HG21 VAL 33 HG21 VAL 33 2.579 5.575 1.315 296 HG22 VAL 33 HG22 VAL 33 3.075 6.916 2.376 297 HG23 VAL 33 HG23 VAL 33 4.163 6.329 1.085 298 H LEU 34 HN LEU 34 3.170 9.915 -1.699 299 HA LEU 34 HA LEU 34 5.664 8.944 -2.681 300 HB2 LEU 34 HB2 LEU 34 3.940 11.180 -3.739 301 HB3 LEU 34 HB1 LEU 34 5.250 10.411 -4.612 302 HG LEU 34 HG LEU 34 2.710 9.043 -3.735 303 HD11 LEU 34 HD11 LEU 34 2.295 10.687 -5.479 304 HD12 LEU 34 HD12 LEU 34 2.146 9.049 -6.114 305 HD13 LEU 34 HD13 LEU 34 3.595 9.997 -6.452 306 HD21 LEU 34 HD21 LEU 34 4.948 8.091 -5.513 307 HD22 LEU 34 HD22 LEU 34 3.443 7.226 -5.190 308 HD23 LEU 34 HD23 LEU 34 4.593 7.513 -3.886 309 H GLU 35 HN GLU 35 4.779 11.527 -0.710 310 HA GLU 35 HA GLU 35 7.195 13.028 -1.236 311 HB2 GLU 35 HB2 GLU 35 5.028 14.209 -0.861 312 HB3 GLU 35 HB1 GLU 35 4.993 13.558 0.766 313 HG2 GLU 35 HG2 GLU 35 5.763 15.896 0.668 314 HG3 GLU 35 HG1 GLU 35 6.956 14.797 1.365 315 H SER 36 HN SER 36 5.742 10.912 1.158 316 HA SER 36 HA SER 36 8.302 10.308 2.236 317 HB2 SER 36 HB2 SER 36 7.728 12.325 3.584 318 HB3 SER 36 HB1 SER 36 6.217 11.547 4.053 319 HG SER 36 HG SER 36 7.423 10.922 5.683 320 HA PRO 37 HA PRO 37 5.506 6.780 2.448 321 HB2 PRO 37 HB2 PRO 37 7.190 4.981 1.427 322 HB3 PRO 37 HB1 PRO 37 6.386 6.166 0.387 323 HG2 PRO 37 HG2 PRO 37 9.205 6.078 1.339 324 HG3 PRO 37 HG1 PRO 37 8.554 6.696 -0.185 325 HD2 PRO 37 HD2 PRO 37 9.268 8.218 2.082 326 HD3 PRO 37 HD1 PRO 37 8.361 8.782 0.672 327 H ARG 38 HN ARG 38 7.751 7.802 4.374 328 HA ARG 38 HA ARG 38 8.341 5.229 5.646 329 HB2 ARG 38 HB2 ARG 38 9.677 7.887 6.150 330 HB3 ARG 38 HB1 ARG 38 10.216 6.309 6.714 331 HG2 ARG 38 HG2 ARG 38 10.756 5.622 4.486 332 HG3 ARG 38 HG1 ARG 38 10.023 7.075 3.811 333 HD2 ARG 38 HD2 ARG 38 11.715 8.366 5.191 334 HD3 ARG 38 HD1 ARG 38 12.544 6.822 5.418 335 HE ARG 38 HE ARG 38 12.530 6.746 2.879 336 HH11 ARG 38 HH11 ARG 38 12.856 9.704 4.766 337 HH12 ARG 38 HH12 ARG 38 13.533 10.627 3.509 338 HH21 ARG 38 HH21 ARG 38 13.421 7.982 1.125 339 HH22 ARG 38 HH22 ARG 38 13.882 9.617 1.370 340 H ILE 39 HN ILE 39 6.130 5.294 6.419 341 HA ILE 39 HA ILE 39 5.744 7.189 8.629 342 HB ILE 39 HB ILE 39 3.647 5.184 7.647 343 HG12 ILE 39 HG12 ILE 39 3.947 8.097 6.850 344 HG13 ILE 39 HG11 ILE 39 4.367 6.745 5.810 345 HG21 ILE 39 HG21 ILE 39 3.317 6.074 9.889 346 HG22 ILE 39 HG22 ILE 39 2.091 6.680 8.776 347 HG23 ILE 39 HG23 ILE 39 3.429 7.720 9.263 348 HD11 ILE 39 HD11 ILE 39 2.032 6.014 5.832 349 HD12 ILE 39 HD12 ILE 39 2.215 7.655 5.215 350 HD13 ILE 39 HD13 ILE 39 1.619 7.393 6.857 351 H GLU 40 HN GLU 40 7.112 6.339 10.108 352 HA GLU 40 HA GLU 40 7.309 3.549 10.502 353 HB2 GLU 40 HB2 GLU 40 8.841 4.142 12.393 354 HB3 GLU 40 HB1 GLU 40 9.291 4.740 10.807 355 HG2 GLU 40 HG2 GLU 40 8.296 6.938 11.448 356 HG3 GLU 40 HG1 GLU 40 8.094 6.298 13.080 357 H ALA 41 HN ALA 41 5.106 5.723 11.700 358 HA ALA 41 HA ALA 41 4.429 4.300 14.101 359 HB1 ALA 41 HB1 ALA 41 2.371 5.641 14.052 360 HB2 ALA 41 HB2 ALA 41 2.766 6.185 12.422 361 HB3 ALA 41 HB3 ALA 41 3.786 6.658 13.776 362 H ASN 42 HN ASN 42 4.029 3.786 10.784 363 HA ASN 42 HA ASN 42 2.008 1.695 11.216 364 HB2 ASN 42 HB2 ASN 42 2.272 3.711 9.010 365 HB3 ASN 42 HB1 ASN 42 1.551 2.152 8.690 366 HD21 ASN 42 HD21 ASN 42 1.192 5.222 10.206 367 HD22 ASN 42 HD22 ASN 42 -0.487 5.068 10.548 368 H LYS 43 HN LYS 43 5.057 1.707 11.131 369 HA LYS 43 HA LYS 43 5.636 0.489 8.600 370 HB2 LYS 43 HB2 LYS 43 7.859 0.016 9.399 371 HB3 LYS 43 HB1 LYS 43 7.439 1.663 9.812 372 HG2 LYS 43 HG2 LYS 43 7.111 1.038 12.122 373 HG3 LYS 43 HG1 LYS 43 7.356 -0.669 11.720 374 HD2 LYS 43 HD2 LYS 43 9.631 -0.116 10.927 375 HD3 LYS 43 HD1 LYS 43 9.373 1.552 11.430 376 HE2 LYS 43 HE2 LYS 43 9.133 0.839 13.737 377 HE3 LYS 43 HE1 LYS 43 9.309 -0.847 13.253 378 HZ1 LYS 43 HZ1 LYS 43 11.373 1.268 12.936 379 HZ2 LYS 43 HZ2 LYS 43 11.547 -0.318 12.453 380 HZ3 LYS 43 HZ3 LYS 43 11.411 0.048 14.088 381 H LEU 44 HN LEU 44 6.314 -1.675 8.273 382 HA LEU 44 HA LEU 44 4.664 -3.468 9.797 383 HB2 LEU 44 HB2 LEU 44 4.866 -3.464 7.256 384 HB3 LEU 44 HB1 LEU 44 6.492 -4.084 7.498 385 HG LEU 44 HG LEU 44 5.567 -6.084 8.568 386 HD11 LEU 44 HD11 LEU 44 2.906 -4.887 7.808 387 HD12 LEU 44 HD12 LEU 44 3.499 -5.149 9.450 388 HD13 LEU 44 HD13 LEU 44 3.155 -6.525 8.408 389 HD21 LEU 44 HD21 LEU 44 4.593 -7.073 6.538 390 HD22 LEU 44 HD22 LEU 44 6.042 -6.132 6.199 391 HD23 LEU 44 HD23 LEU 44 4.449 -5.460 5.840 392 H ARG 45 HN ARG 45 5.474 -4.976 11.113 393 HA ARG 45 HA ARG 45 8.103 -4.415 12.133 394 HB2 ARG 45 HB2 ARG 45 6.351 -4.681 13.731 395 HB3 ARG 45 HB1 ARG 45 5.909 -6.240 13.076 396 HG2 ARG 45 HG2 ARG 45 7.893 -7.250 13.959 397 HG3 ARG 45 HG1 ARG 45 8.538 -5.678 14.433 398 HD2 ARG 45 HD2 ARG 45 7.530 -7.027 16.290 399 HD3 ARG 45 HD1 ARG 45 6.876 -5.398 16.105 400 HE ARG 45 HE ARG 45 5.138 -6.866 14.664 401 HH11 ARG 45 HH11 ARG 45 6.358 -7.315 17.929 402 HH12 ARG 45 HH12 ARG 45 4.958 -8.069 18.526 403 HH21 ARG 45 HH21 ARG 45 3.207 -7.727 15.411 404 HH22 ARG 45 HH22 ARG 45 3.029 -8.336 16.983 405 H GLY 46 HN GLY 46 6.603 -7.046 10.411 406 HA2 GLY 46 HA2 GLY 46 8.821 -8.835 10.632 407 HA3 GLY 46 HA1 GLY 46 7.511 -8.957 9.465 408 H MET 47 HN MET 47 7.793 -6.494 8.201 409 HA MET 47 HA MET 47 10.450 -6.734 6.960 410 HB2 MET 47 HB2 MET 47 7.938 -5.832 5.538 411 HB3 MET 47 HB1 MET 47 9.499 -6.169 4.825 412 HG2 MET 47 HG2 MET 47 7.594 -8.172 5.999 413 HG3 MET 47 HG1 MET 47 7.881 -7.882 4.289 414 HE1 MET 47 HE1 MET 47 7.864 -10.672 5.515 415 HE2 MET 47 HE2 MET 47 9.326 -11.433 4.871 416 HE3 MET 47 HE3 MET 47 8.323 -10.425 3.827 417 HA PRO 48 HA PRO 48 10.000 -2.578 8.836 418 HB2 PRO 48 HB2 PRO 48 12.917 -2.501 8.476 419 HB3 PRO 48 HB1 PRO 48 11.960 -2.305 9.946 420 HG2 PRO 48 HG2 PRO 48 13.426 -4.519 9.513 421 HG3 PRO 48 HG1 PRO 48 11.861 -4.584 10.344 422 HD2 PRO 48 HD2 PRO 48 12.534 -5.267 7.508 423 HD3 PRO 48 HD1 PRO 48 11.480 -6.113 8.663 424 H ASP 49 HN ASP 49 11.252 -3.549 5.838 425 HA ASP 49 HA ASP 49 11.659 -0.820 4.832 426 HB2 ASP 49 HB2 ASP 49 11.946 -3.458 3.363 427 HB3 ASP 49 HB1 ASP 49 12.435 -1.883 2.760 428 H CYS 50 HN CYS 50 9.123 -2.543 5.513 429 HA CYS 50 HA CYS 50 7.588 -1.658 3.207 430 HB2 CYS 50 HB2 CYS 50 7.847 -4.163 3.296 431 HB3 CYS 50 HB1 CYS 50 7.125 -4.120 4.902 432 HG CYS 50 HG CYS 50 5.151 -2.602 2.785 433 H TYR 51 HN TYR 51 5.708 -0.637 3.784 434 HA TYR 51 HA TYR 51 5.200 -0.326 6.630 435 HB2 TYR 51 HB2 TYR 51 5.186 1.860 4.521 436 HB3 TYR 51 HB1 TYR 51 4.655 2.054 6.181 437 HD1 TYR 51 HD1 TYR 51 7.643 1.290 4.114 438 HD2 TYR 51 HD2 TYR 51 6.201 2.699 7.834 439 HE1 TYR 51 HE1 TYR 51 9.919 2.004 4.708 440 HE2 TYR 51 HE2 TYR 51 8.477 3.410 8.453 441 HH TYR 51 HH TYR 51 10.851 2.816 7.816 442 H LYS 52 HN LYS 52 2.961 0.606 6.841 443 HA LYS 52 HA LYS 52 1.244 -0.077 4.638 444 HB2 LYS 52 HB2 LYS 52 -0.315 -1.304 6.211 445 HB3 LYS 52 HB1 LYS 52 1.195 -2.125 5.937 446 HG2 LYS 52 HG2 LYS 52 0.759 -2.413 8.229 447 HG3 LYS 52 HG1 LYS 52 1.977 -1.148 8.166 448 HD2 LYS 52 HD2 LYS 52 0.332 -0.508 9.793 449 HD3 LYS 52 HD1 LYS 52 0.121 0.529 8.385 450 HE2 LYS 52 HE2 LYS 52 -2.038 -0.156 9.143 451 HE3 LYS 52 HE1 LYS 52 -1.717 -0.981 7.624 452 HZ1 LYS 52 HZ1 LYS 52 -1.567 -2.060 10.358 453 HZ2 LYS 52 HZ2 LYS 52 -1.014 -2.957 9.042 454 HZ3 LYS 52 HZ3 LYS 52 -2.660 -2.511 9.176 455 H ILE 53 HN ILE 53 -1.043 0.752 5.254 456 HA ILE 53 HA ILE 53 -0.958 2.959 7.144 457 HB ILE 53 HB ILE 53 -2.288 3.355 4.421 458 HG12 ILE 53 HG12 ILE 53 0.473 4.364 5.206 459 HG13 ILE 53 HG11 ILE 53 0.124 3.099 4.028 460 HG21 ILE 53 HG21 ILE 53 -2.179 5.761 5.103 461 HG22 ILE 53 HG22 ILE 53 -1.463 5.248 6.635 462 HG23 ILE 53 HG23 ILE 53 -3.098 4.760 6.235 463 HD11 ILE 53 HD11 ILE 53 -0.993 4.713 2.598 464 HD12 ILE 53 HD12 ILE 53 0.661 5.223 2.950 465 HD13 ILE 53 HD13 ILE 53 -0.692 5.986 3.784 466 H LYS 54 HN LYS 54 -3.235 3.549 7.681 467 HA LYS 54 HA LYS 54 -5.155 1.463 7.020 468 HB2 LYS 54 HB2 LYS 54 -5.893 1.497 9.406 469 HB3 LYS 54 HB1 LYS 54 -4.284 0.818 9.178 470 HG2 LYS 54 HG2 LYS 54 -3.233 2.724 9.987 471 HG3 LYS 54 HG1 LYS 54 -4.708 3.686 9.862 472 HD2 LYS 54 HD2 LYS 54 -4.226 3.171 12.185 473 HD3 LYS 54 HD1 LYS 54 -5.711 2.377 11.672 474 HE2 LYS 54 HE2 LYS 54 -4.427 0.836 13.017 475 HE3 LYS 54 HE1 LYS 54 -4.411 0.281 11.352 476 HZ1 LYS 54 HZ1 LYS 54 -2.151 1.370 11.166 477 HZ2 LYS 54 HZ2 LYS 54 -2.261 0.057 12.207 478 HZ3 LYS 54 HZ3 LYS 54 -2.209 1.613 12.831 479 H LEU 55 HN LEU 55 -7.214 2.221 6.929 480 HA LEU 55 HA LEU 55 -7.603 5.100 7.214 481 HB2 LEU 55 HB2 LEU 55 -9.341 2.979 5.946 482 HB3 LEU 55 HB1 LEU 55 -9.707 4.691 5.980 483 HG LEU 55 HG LEU 55 -7.439 3.380 4.487 484 HD11 LEU 55 HD11 LEU 55 -9.984 4.667 3.528 485 HD12 LEU 55 HD12 LEU 55 -9.621 2.940 3.536 486 HD13 LEU 55 HD13 LEU 55 -8.695 4.033 2.501 487 HD21 LEU 55 HD21 LEU 55 -6.815 5.616 5.243 488 HD22 LEU 55 HD22 LEU 55 -8.311 6.269 4.580 489 HD23 LEU 55 HD23 LEU 55 -7.085 5.602 3.503 490 H ARG 56 HN ARG 56 -8.182 5.525 9.234 491 HA ARG 56 HA ARG 56 -9.267 3.536 10.979 492 HB2 ARG 56 HB2 ARG 56 -9.005 6.523 11.380 493 HB3 ARG 56 HB1 ARG 56 -9.361 5.347 12.634 494 HG2 ARG 56 HG2 ARG 56 -7.202 4.319 12.378 495 HG3 ARG 56 HG1 ARG 56 -6.853 5.332 10.981 496 HD2 ARG 56 HD2 ARG 56 -7.312 6.335 13.786 497 HD3 ARG 56 HD1 ARG 56 -5.738 6.129 13.017 498 HE ARG 56 HE ARG 56 -7.595 7.810 11.582 499 HH11 ARG 56 HH11 ARG 56 -4.957 7.736 13.958 500 HH12 ARG 56 HH12 ARG 56 -4.541 9.367 13.743 501 HH21 ARG 56 HH21 ARG 56 -7.025 10.068 11.312 502 HH22 ARG 56 HH22 ARG 56 -5.740 10.713 12.205 503 H SER 57 HN SER 57 -10.572 5.940 8.936 504 HA SER 57 HA SER 57 -13.203 5.971 10.119 505 HB2 SER 57 HB2 SER 57 -12.266 7.058 7.471 506 HB3 SER 57 HB1 SER 57 -13.680 7.559 8.395 507 HG SER 57 HG SER 57 -11.877 8.945 8.571 508 H SER 58 HN SER 58 -11.853 3.475 8.738 509 HA SER 58 HA SER 58 -14.203 2.694 7.232 510 HB2 SER 58 HB2 SER 58 -12.806 3.831 5.559 511 HB3 SER 58 HB1 SER 58 -11.455 2.781 5.962 512 HG SER 58 HG SER 58 -13.908 2.118 4.756 513 H GLY 59 HN GLY 59 -10.885 1.749 8.242 514 HA2 GLY 59 HA2 GLY 59 -10.629 -0.137 9.712 515 HA3 GLY 59 HA1 GLY 59 -11.975 -0.909 8.872 516 H TYR 60 HN TYR 60 -10.850 0.228 6.345 517 HA TYR 60 HA TYR 60 -9.414 -2.072 5.519 518 HB2 TYR 60 HB2 TYR 60 -10.043 0.548 4.161 519 HB3 TYR 60 HB1 TYR 60 -9.088 -0.703 3.380 520 HD1 TYR 60 HD1 TYR 60 -12.391 -0.305 5.125 521 HD2 TYR 60 HD2 TYR 60 -10.182 -2.216 2.054 522 HE1 TYR 60 HE1 TYR 60 -14.445 -1.396 4.336 523 HE2 TYR 60 HE2 TYR 60 -12.225 -3.320 1.255 524 HH TYR 60 HH TYR 60 -15.295 -2.390 2.275 525 H ARG 61 HN ARG 61 -7.271 -1.920 4.364 526 HA ARG 61 HA ARG 61 -5.512 0.067 5.471 527 HB2 ARG 61 HB2 ARG 61 -3.844 -1.672 6.169 528 HB3 ARG 61 HB1 ARG 61 -5.287 -1.639 7.158 529 HG2 ARG 61 HG2 ARG 61 -5.097 -3.614 4.917 530 HG3 ARG 61 HG1 ARG 61 -4.216 -3.916 6.414 531 HD2 ARG 61 HD2 ARG 61 -7.189 -3.448 6.146 532 HD3 ARG 61 HD1 ARG 61 -6.413 -5.017 6.368 533 HE ARG 61 HE ARG 61 -6.567 -2.853 8.355 534 HH11 ARG 61 HH11 ARG 61 -6.076 -6.349 7.681 535 HH12 ARG 61 HH12 ARG 61 -5.928 -6.745 9.304 536 HH21 ARG 61 HH21 ARG 61 -6.436 -3.526 10.629 537 HH22 ARG 61 HH22 ARG 61 -6.163 -5.160 10.984 538 H LEU 62 HN LEU 62 -3.253 -0.366 4.476 539 HA LEU 62 HA LEU 62 -3.348 -1.631 1.876 540 HB2 LEU 62 HB2 LEU 62 -4.101 0.701 1.504 541 HB3 LEU 62 HB1 LEU 62 -2.688 1.311 2.328 542 HG LEU 62 HG LEU 62 -2.430 -0.262 -0.243 543 HD11 LEU 62 HD11 LEU 62 -2.893 2.711 0.057 544 HD12 LEU 62 HD12 LEU 62 -4.022 1.558 -0.657 545 HD13 LEU 62 HD13 LEU 62 -2.474 1.878 -1.438 546 HD21 LEU 62 HD21 LEU 62 -0.384 0.186 1.038 547 HD22 LEU 62 HD22 LEU 62 -0.759 1.910 1.034 548 HD23 LEU 62 HD23 LEU 62 -0.396 1.084 -0.480 549 H VAL 63 HN VAL 63 -1.243 -2.257 1.219 550 HA VAL 63 HA VAL 63 0.899 -1.933 3.235 551 HB VAL 63 HB VAL 63 0.399 -4.425 1.588 552 HG11 VAL 63 HG11 VAL 63 1.912 -5.519 3.173 553 HG12 VAL 63 HG12 VAL 63 2.146 -3.976 3.994 554 HG13 VAL 63 HG13 VAL 63 2.677 -4.174 2.326 555 HG21 VAL 63 HG21 VAL 63 -0.472 -5.515 3.637 556 HG22 VAL 63 HG22 VAL 63 -1.504 -4.209 3.049 557 HG23 VAL 63 HG23 VAL 63 -0.454 -3.938 4.437 558 H TYR 64 HN TYR 64 2.894 -1.432 2.285 559 HA TYR 64 HA TYR 64 3.302 -1.882 -0.546 560 HB2 TYR 64 HB2 TYR 64 3.769 0.474 -1.062 561 HB3 TYR 64 HB1 TYR 64 2.110 0.286 -0.512 562 HD1 TYR 64 HD2 TYR 64 1.567 0.922 1.889 563 HD2 TYR 64 HD1 TYR 64 5.242 1.974 0.027 564 HE1 TYR 64 HE2 TYR 64 1.939 2.633 3.598 565 HE2 TYR 64 HE1 TYR 64 5.618 3.687 1.740 566 HH TYR 64 HH TYR 64 3.737 3.825 4.586 567 H GLN 65 HN GLN 65 5.505 -1.670 -1.124 568 HA GLN 65 HA GLN 65 7.342 -1.625 1.150 569 HB2 GLN 65 HB2 GLN 65 7.452 -3.617 -0.333 570 HB3 GLN 65 HB1 GLN 65 7.818 -2.563 -1.693 571 HG2 GLN 65 HG2 GLN 65 9.872 -1.811 -0.447 572 HG3 GLN 65 HG1 GLN 65 9.532 -3.064 0.743 573 HE21 GLN 65 HE21 GLN 65 8.549 -4.817 -1.304 574 HE22 GLN 65 HE22 GLN 65 9.928 -5.455 -2.155 575 H VAL 66 HN VAL 66 9.136 -0.322 1.033 576 HA VAL 66 HA VAL 66 8.821 1.971 -0.759 577 HB VAL 66 HB VAL 66 10.408 1.770 1.825 578 HG11 VAL 66 HG11 VAL 66 10.714 4.200 1.600 579 HG12 VAL 66 HG12 VAL 66 9.884 4.162 0.046 580 HG13 VAL 66 HG13 VAL 66 11.438 3.343 0.235 581 HG21 VAL 66 HG21 VAL 66 8.029 1.760 2.195 582 HG22 VAL 66 HG22 VAL 66 7.835 3.147 1.141 583 HG23 VAL 66 HG23 VAL 66 8.692 3.326 2.682 584 H ILE 67 HN ILE 67 9.912 1.489 -2.526 585 HA ILE 67 HA ILE 67 12.540 0.204 -2.282 586 HB ILE 67 HB ILE 67 10.928 0.751 -4.773 587 HG12 ILE 67 HG12 ILE 67 11.018 -1.800 -3.126 588 HG13 ILE 67 HG11 ILE 67 9.635 -0.730 -3.293 589 HG21 ILE 67 HG21 ILE 67 13.226 -1.150 -4.230 590 HG22 ILE 67 HG22 ILE 67 13.319 0.364 -5.126 591 HG23 ILE 67 HG23 ILE 67 12.387 -0.988 -5.774 592 HD11 ILE 67 HD11 ILE 67 9.375 -2.719 -4.658 593 HD12 ILE 67 HD12 ILE 67 10.888 -2.362 -5.491 594 HD13 ILE 67 HD13 ILE 67 9.504 -1.284 -5.676 595 H ASP 68 HN ASP 68 14.009 1.835 -2.007 596 HA ASP 68 HA ASP 68 13.454 4.381 -3.280 597 HB2 ASP 68 HB2 ASP 68 14.249 4.382 -0.958 598 HB3 ASP 68 HB1 ASP 68 15.751 3.626 -1.468 599 H GLU 69 HN GLU 69 15.317 1.595 -3.914 600 HA GLU 69 HA GLU 69 17.237 2.856 -5.564 601 HB2 GLU 69 HB2 GLU 69 17.761 0.633 -6.469 602 HB3 GLU 69 HB1 GLU 69 17.651 0.603 -4.722 603 HG2 GLU 69 HG2 GLU 69 15.422 -0.390 -4.875 604 HG3 GLU 69 HG1 GLU 69 15.532 -0.331 -6.632 605 H LYS 70 HN LYS 70 14.024 1.627 -6.224 606 HA LYS 70 HA LYS 70 14.266 2.492 -9.014 607 HB2 LYS 70 HB2 LYS 70 11.950 1.130 -7.625 608 HB3 LYS 70 HB1 LYS 70 12.012 1.531 -9.336 609 HG2 LYS 70 HG2 LYS 70 13.935 0.047 -9.573 610 HG3 LYS 70 HG1 LYS 70 13.766 -0.430 -7.875 611 HD2 LYS 70 HD2 LYS 70 11.426 -1.141 -8.436 612 HD3 LYS 70 HD1 LYS 70 11.811 -0.843 -10.131 613 HE2 LYS 70 HE2 LYS 70 13.224 -2.736 -8.293 614 HE3 LYS 70 HE1 LYS 70 12.063 -3.207 -9.536 615 HZ1 LYS 70 HZ1 LYS 70 14.307 -3.562 -10.273 616 HZ2 LYS 70 HZ2 LYS 70 14.752 -1.973 -9.994 617 HZ3 LYS 70 HZ3 LYS 70 13.635 -2.341 -11.213 618 H VAL 71 HN VAL 71 13.309 3.537 -6.030 619 HA VAL 71 HA VAL 71 12.270 5.275 -5.098 620 HB VAL 71 HB VAL 71 12.094 6.734 -7.730 621 HG11 VAL 71 HG11 VAL 71 11.109 7.703 -5.758 622 HG12 VAL 71 HG12 VAL 71 12.456 8.704 -6.333 623 HG13 VAL 71 HG13 VAL 71 12.655 7.637 -4.930 624 HG21 VAL 71 HG21 VAL 71 14.335 7.606 -7.427 625 HG22 VAL 71 HG22 VAL 71 14.330 5.858 -7.703 626 HG23 VAL 71 HG23 VAL 71 14.594 6.498 -6.068 627 H VAL 72 HN VAL 72 10.589 3.432 -5.354 628 HA VAL 72 HA VAL 72 8.231 4.594 -6.599 629 HB VAL 72 HB VAL 72 7.525 2.461 -7.496 630 HG11 VAL 72 HG11 VAL 72 9.132 2.156 -9.293 631 HG12 VAL 72 HG12 VAL 72 10.308 3.114 -8.393 632 HG13 VAL 72 HG13 VAL 72 8.820 3.860 -8.969 633 HG21 VAL 72 HG21 VAL 72 8.568 0.949 -5.908 634 HG22 VAL 72 HG22 VAL 72 10.159 1.360 -6.557 635 HG23 VAL 72 HG23 VAL 72 8.996 0.500 -7.565 636 H VAL 73 HN VAL 73 6.329 4.072 -5.621 637 HA VAL 73 HA VAL 73 6.482 2.694 -3.071 638 HB VAL 73 HB VAL 73 4.298 4.444 -4.278 639 HG11 VAL 73 HG11 VAL 73 3.376 2.709 -2.796 640 HG12 VAL 73 HG12 VAL 73 3.209 4.317 -2.094 641 HG13 VAL 73 HG13 VAL 73 4.466 3.230 -1.513 642 HG21 VAL 73 HG21 VAL 73 6.249 4.970 -2.048 643 HG22 VAL 73 HG22 VAL 73 4.921 6.032 -2.523 644 HG23 VAL 73 HG23 VAL 73 6.239 5.708 -3.652 645 H PHE 74 HN PHE 74 6.367 0.651 -3.548 646 HA PHE 74 HA PHE 74 4.564 -0.232 -5.651 647 HB2 PHE 74 HB2 PHE 74 6.784 -1.057 -5.967 648 HB3 PHE 74 HB1 PHE 74 6.908 -1.555 -4.290 649 HD1 PHE 74 HD1 PHE 74 4.268 -2.238 -6.887 650 HD2 PHE 74 HD2 PHE 74 7.250 -3.808 -4.268 651 HE1 PHE 74 HE1 PHE 74 3.603 -4.520 -7.485 652 HE2 PHE 74 HE2 PHE 74 6.583 -6.085 -4.873 653 HZ PHE 74 HZ PHE 74 4.760 -6.444 -6.478 654 H VAL 75 HN VAL 75 2.654 -0.361 -4.861 655 HA VAL 75 HA VAL 75 2.078 -1.227 -2.221 656 HB VAL 75 HB VAL 75 0.194 -0.826 -4.555 657 HG11 VAL 75 HG11 VAL 75 -0.331 -0.992 -1.592 658 HG12 VAL 75 HG12 VAL 75 -0.786 -2.191 -2.803 659 HG13 VAL 75 HG13 VAL 75 -1.525 -0.587 -2.826 660 HG21 VAL 75 HG21 VAL 75 1.433 1.214 -4.047 661 HG22 VAL 75 HG22 VAL 75 0.998 1.075 -2.347 662 HG23 VAL 75 HG23 VAL 75 -0.253 1.373 -3.553 663 H ILE 76 HN ILE 76 1.929 -3.149 -1.554 664 HA ILE 76 HA ILE 76 2.191 -5.473 -3.259 665 HB ILE 76 HB ILE 76 1.868 -5.286 -0.257 666 HG12 ILE 76 HG12 ILE 76 3.832 -3.981 -1.037 667 HG13 ILE 76 HG11 ILE 76 4.296 -5.352 -0.049 668 HG21 ILE 76 HG21 ILE 76 2.979 -7.513 -1.961 669 HG22 ILE 76 HG22 ILE 76 1.422 -7.501 -1.135 670 HG23 ILE 76 HG23 ILE 76 2.915 -7.488 -0.197 671 HD11 ILE 76 HD11 ILE 76 4.896 -6.584 -2.084 672 HD12 ILE 76 HD12 ILE 76 5.794 -5.073 -1.923 673 HD13 ILE 76 HD13 ILE 76 4.441 -5.178 -3.050 674 H SER 77 HN SER 77 -0.151 -4.110 -0.947 675 HA SER 77 HA SER 77 -2.257 -5.754 -2.087 676 HB2 SER 77 HB2 SER 77 -1.580 -5.809 0.865 677 HB3 SER 77 HB1 SER 77 -2.943 -6.624 0.095 678 HG SER 77 HG SER 77 -0.805 -7.323 -1.231 679 H VAL 78 HN VAL 78 -4.344 -4.923 -1.652 680 HA VAL 78 HA VAL 78 -4.514 -2.364 -0.243 681 HB VAL 78 HB VAL 78 -5.770 -2.974 -2.952 682 HG11 VAL 78 HG11 VAL 78 -6.489 -0.641 -2.936 683 HG12 VAL 78 HG12 VAL 78 -5.784 -0.446 -1.331 684 HG13 VAL 78 HG13 VAL 78 -7.144 -1.542 -1.569 685 HG21 VAL 78 HG21 VAL 78 -3.361 -2.544 -3.156 686 HG22 VAL 78 HG22 VAL 78 -3.593 -0.992 -2.343 687 HG23 VAL 78 HG23 VAL 78 -4.345 -1.292 -3.910 688 H GLY 79 HN GLY 79 -6.353 -2.376 1.073 689 HA2 GLY 79 HA2 GLY 79 -8.767 -2.746 0.927 690 HA3 GLY 79 HA1 GLY 79 -8.389 -4.346 0.330 691 H LYS 80 HN LYS 80 -9.547 -5.325 1.967 692 HA LYS 80 HA LYS 80 -8.469 -4.973 4.640 693 HB2 LYS 80 HB2 LYS 80 -11.049 -6.147 3.687 694 HB3 LYS 80 HB1 LYS 80 -10.401 -6.560 5.265 695 HG2 LYS 80 HG2 LYS 80 -10.434 -4.183 5.880 696 HG3 LYS 80 HG1 LYS 80 -11.114 -3.795 4.301 697 HD2 LYS 80 HD2 LYS 80 -12.855 -3.896 6.038 698 HD3 LYS 80 HD1 LYS 80 -13.096 -5.135 4.811 699 HE2 LYS 80 HE2 LYS 80 -12.113 -6.812 6.295 700 HE3 LYS 80 HE1 LYS 80 -11.793 -5.570 7.503 701 HZ1 LYS 80 HZ1 LYS 80 -14.504 -6.321 6.540 702 HZ2 LYS 80 HZ2 LYS 80 -14.152 -5.296 7.830 703 HZ3 LYS 80 HZ3 LYS 80 -13.792 -6.921 7.934 704 H ALA 81 HN ALA 81 -6.679 -6.094 4.705 705 HA ALA 81 HA ALA 81 -6.572 -8.884 4.100 706 HB1 ALA 81 HB1 ALA 81 -4.581 -8.831 5.626 707 HB2 ALA 81 HB2 ALA 81 -4.966 -7.157 6.021 708 HB3 ALA 81 HB3 ALA 81 -4.493 -7.588 4.378 709 H GLU 82 HN GLU 82 -7.353 -10.489 5.422 710 HA GLU 82 HA GLU 82 -9.440 -9.891 7.112 711 HB2 GLU 82 HB2 GLU 82 -9.344 -12.307 7.782 712 HB3 GLU 82 HB1 GLU 82 -9.413 -11.990 6.057 713 HG2 GLU 82 HG2 GLU 82 -6.829 -12.194 6.184 714 HG3 GLU 82 HG1 GLU 82 -7.157 -13.023 7.698 715 H ALA 83 HN ALA 83 -9.835 -9.900 9.217 716 HA ALA 83 HA ALA 83 -7.622 -9.770 11.110 717 HB1 ALA 83 HB1 ALA 83 -9.254 -7.320 10.469 718 HB2 ALA 83 HB2 ALA 83 -7.551 -7.557 10.080 719 HB3 ALA 83 HB3 ALA 83 -8.069 -7.460 11.765 720 H SER 84 HN SER 84 -11.040 -9.056 10.498 721 HA SER 84 HA SER 84 -11.767 -9.193 13.263 722 HB2 SER 84 HB2 SER 84 -13.493 -9.086 10.791 723 HB3 SER 84 HB1 SER 84 -13.973 -8.683 12.443 724 HG SER 84 HG SER 84 -13.493 -6.787 11.419 725 H GLU 85 HN GLU 85 -11.323 -11.406 10.788 726 HA GLU 85 HA GLU 85 -12.827 -13.467 12.229 727 HB2 GLU 85 HB2 GLU 85 -13.018 -14.661 10.075 728 HB3 GLU 85 HB1 GLU 85 -13.830 -13.105 10.079 729 HG2 GLU 85 HG2 GLU 85 -11.095 -13.533 8.887 730 HG3 GLU 85 HG1 GLU 85 -12.584 -13.722 7.972 731 H VAL 86 HN VAL 86 -9.738 -12.505 11.026 732 HA VAL 86 HA VAL 86 -8.623 -15.036 10.512 733 HB VAL 86 HB VAL 86 -7.756 -12.777 9.732 734 HG11 VAL 86 HG11 VAL 86 -7.603 -11.657 11.864 735 HG12 VAL 86 HG12 VAL 86 -6.036 -11.677 11.049 736 HG13 VAL 86 HG13 VAL 86 -6.349 -12.783 12.385 737 HG21 VAL 86 HG21 VAL 86 -6.578 -14.835 9.223 738 HG22 VAL 86 HG22 VAL 86 -5.777 -14.791 10.793 739 HG23 VAL 86 HG23 VAL 86 -5.417 -13.555 9.586 740 H TYR 87 HN TYR 87 -9.255 -13.559 13.507 741 HA TYR 87 HA TYR 87 -7.153 -14.919 14.889 742 HB2 TYR 87 HB2 TYR 87 -8.250 -14.126 16.975 743 HB3 TYR 87 HB1 TYR 87 -7.768 -12.846 15.873 744 HD1 TYR 87 HD2 TYR 87 -10.650 -14.810 17.099 745 HD2 TYR 87 HD1 TYR 87 -9.351 -11.308 15.089 746 HE1 TYR 87 HE2 TYR 87 -12.916 -13.924 17.203 747 HE2 TYR 87 HE1 TYR 87 -11.622 -10.403 15.188 748 HH TYR 87 HH TYR 87 -13.876 -11.229 15.374 749 H SER 88 HN SER 88 -9.825 -16.134 13.534 750 HA SER 88 HA SER 88 -10.588 -18.006 15.526 751 HB2 SER 88 HB2 SER 88 -10.679 -18.337 12.509 752 HB3 SER 88 HB1 SER 88 -11.690 -19.163 13.697 753 HG SER 88 HG SER 88 -11.819 -16.594 12.686 754 H GLU 89 HN GLU 89 -8.428 -18.003 12.729 755 HA GLU 89 HA GLU 89 -6.995 -20.371 13.329 756 HB2 GLU 89 HB2 GLU 89 -6.316 -17.929 11.655 757 HB3 GLU 89 HB1 GLU 89 -5.348 -19.383 11.703 758 HG2 GLU 89 HG2 GLU 89 -6.701 -19.258 9.684 759 HG3 GLU 89 HG1 GLU 89 -7.137 -20.648 10.661 760 H ALA 90 HN ALA 90 -6.251 -16.921 13.489 761 HA ALA 90 HA ALA 90 -5.067 -15.595 14.837 762 HB1 ALA 90 HB1 ALA 90 -4.978 -16.078 17.205 763 HB2 ALA 90 HB2 ALA 90 -5.342 -17.777 16.902 764 HB3 ALA 90 HB3 ALA 90 -6.553 -16.542 16.561 765 H VAL 91 HN VAL 91 -3.237 -15.973 16.741 766 HA VAL 91 HA VAL 91 -0.944 -16.946 15.277 767 HB VAL 91 HB VAL 91 0.322 -15.809 17.119 768 HG11 VAL 91 HG11 VAL 91 -0.178 -13.508 16.354 769 HG12 VAL 91 HG12 VAL 91 -1.675 -14.094 15.629 770 HG13 VAL 91 HG13 VAL 91 -0.122 -14.646 15.009 771 HG21 VAL 91 HG21 VAL 91 -1.343 -15.900 18.889 772 HG22 VAL 91 HG22 VAL 91 -2.421 -14.856 17.963 773 HG23 VAL 91 HG23 VAL 91 -0.903 -14.218 18.582 774 H LYS 92 HN LYS 92 0.440 -18.547 16.179 775 HA LYS 92 HA LYS 92 -0.761 -19.970 18.443 776 HB2 LYS 92 HB2 LYS 92 0.247 -21.160 15.871 777 HB3 LYS 92 HB1 LYS 92 -0.095 -22.121 17.306 778 HG2 LYS 92 HG2 LYS 92 -2.414 -21.490 17.266 779 HG3 LYS 92 HG1 LYS 92 -2.115 -20.327 15.981 780 HD2 LYS 92 HD2 LYS 92 -1.713 -23.306 15.693 781 HD3 LYS 92 HD1 LYS 92 -3.193 -22.463 15.229 782 HE2 LYS 92 HE2 LYS 92 -1.845 -21.047 13.699 783 HE3 LYS 92 HE1 LYS 92 -0.430 -22.007 14.106 784 HZ1 LYS 92 HZ1 LYS 92 -1.425 -22.746 12.050 785 HZ2 LYS 92 HZ2 LYS 92 -2.893 -23.048 12.822 786 HZ3 LYS 92 HZ3 LYS 92 -1.537 -23.961 13.214 787 H ARG 93 HN ARG 93 2.007 -18.472 17.406 788 HA ARG 93 HA ARG 93 3.715 -20.201 19.012 789 HB2 ARG 93 HB2 ARG 93 4.371 -17.941 17.143 790 HB3 ARG 93 HB1 ARG 93 5.536 -18.594 18.273 791 HG2 ARG 93 HG2 ARG 93 5.381 -20.754 17.251 792 HG3 ARG 93 HG1 ARG 93 4.138 -20.182 16.133 793 HD2 ARG 93 HD2 ARG 93 6.398 -20.222 15.133 794 HD3 ARG 93 HD1 ARG 93 5.685 -18.606 15.164 795 HE ARG 93 HE ARG 93 7.486 -19.393 17.325 796 HH11 ARG 93 HH11 ARG 93 7.080 -17.545 14.333 797 HH12 ARG 93 HH12 ARG 93 8.273 -16.393 14.723 798 HH21 ARG 93 HH21 ARG 93 9.117 -17.816 17.837 799 HH22 ARG 93 HH22 ARG 93 9.458 -16.544 16.750 800 H ILE 94 HN ILE 94 1.937 -17.347 19.345 801 HA ILE 94 HA ILE 94 3.699 -16.244 21.308 802 HB ILE 94 HB ILE 94 0.830 -15.461 20.674 803 HG12 ILE 94 HG12 ILE 94 3.487 -14.178 19.979 804 HG13 ILE 94 HG11 ILE 94 2.396 -14.989 18.866 805 HG21 ILE 94 HG21 ILE 94 1.251 -13.434 22.031 806 HG22 ILE 94 HG22 ILE 94 2.825 -14.076 22.495 807 HG23 ILE 94 HG23 ILE 94 1.353 -14.899 23.007 808 HD11 ILE 94 HD11 ILE 94 2.251 -12.577 18.641 809 HD12 ILE 94 HD12 ILE 94 1.834 -12.427 20.348 810 HD13 ILE 94 HD13 ILE 94 0.725 -13.227 19.241 811 H LEU 95 HN LEU 95 4.093 -17.326 22.970 812 HA LEU 95 HA LEU 95 3.994 -18.439 24.894 813 HB2 LEU 95 HB2 LEU 95 1.183 -17.338 25.076 814 HB3 LEU 95 HB1 LEU 95 2.114 -17.994 26.407 815 HG LEU 95 HG LEU 95 2.799 -15.489 24.864 816 HD11 LEU 95 HD11 LEU 95 0.831 -15.202 26.249 817 HD12 LEU 95 HD12 LEU 95 2.207 -14.305 26.886 818 HD13 LEU 95 HD13 LEU 95 1.715 -15.814 27.649 819 HD21 LEU 95 HD21 LEU 95 4.095 -16.707 27.303 820 HD22 LEU 95 HD22 LEU 95 4.483 -15.132 26.609 821 HD23 LEU 95 HD23 LEU 95 4.809 -16.599 25.690 822 H LYS 47 H LYS 47 -2.873 -2.222 18.826 823 HA LYS 47 HA LYS 47 -5.050 -3.679 20.233 824 HB2 LYS 47 HB2 LYS 47 -3.480 -5.165 18.929 825 HB3 LYS 47 HB1 LYS 47 -2.144 -4.518 19.859 826 HG2 LYS 47 HG2 LYS 47 -2.753 -6.701 20.683 827 HG3 LYS 47 HG1 LYS 47 -3.147 -5.482 21.901 828 HD2 LYS 47 HD2 LYS 47 -5.480 -5.561 21.267 829 HD3 LYS 47 HD1 LYS 47 -5.128 -6.681 19.956 830 HE2 LYS 47 HE2 LYS 47 -4.683 -7.272 22.895 831 HE3 LYS 47 HE1 LYS 47 -6.103 -7.767 21.987 832 HZ1 LYS 47 HZ1 LYS 47 -4.657 -9.098 20.551 833 HZ2 LYS 47 HZ2 LYS 47 -4.535 -9.562 22.147 834 HZ3 LYS 47 HZ3 LYS 47 -3.303 -8.653 21.459 835 H GLN 48 HN GLN 48 -1.662 -3.227 21.102 836 HA GLN 48 HA GLN 48 -2.527 -1.277 23.117 837 HB2 GLN 48 HB2 GLN 48 -0.517 -1.971 24.482 838 HB3 GLN 48 HB1 GLN 48 -1.778 -3.179 24.398 839 HG2 GLN 48 HG2 GLN 48 -0.512 -4.523 22.919 840 HG3 GLN 48 HG1 GLN 48 0.638 -3.219 22.620 841 HE21 GLN 48 HE21 GLN 48 -0.483 -5.523 24.970 842 HE22 GLN 48 HE22 GLN 48 0.925 -5.470 25.953 843 H THR 49 HN THR 49 0.106 -2.398 21.066 844 HA THR 49 HA THR 49 0.988 0.272 20.678 845 HB THR 49 HB THR 49 2.602 -1.250 19.259 846 HG1 THR 49 HG1 THR 49 2.003 -3.241 19.355 847 HG21 THR 49 HG21 THR 49 3.982 -1.687 21.249 848 HG22 THR 49 HG22 THR 49 2.584 -1.404 22.284 849 HG23 THR 49 HG23 THR 49 3.260 -0.081 21.335 850 H LEU 50 HN LEU 50 1.203 0.683 18.216 851 HA LEU 50 HA LEU 50 -1.312 0.254 17.099 852 HB2 LEU 50 HB2 LEU 50 1.194 1.467 16.009 853 HB3 LEU 50 HB1 LEU 50 -0.279 1.320 15.066 854 HG LEU 50 HG LEU 50 -1.438 2.594 16.930 855 HD11 LEU 50 HD11 LEU 50 -0.103 4.074 18.309 856 HD12 LEU 50 HD12 LEU 50 1.368 3.290 17.720 857 HD13 LEU 50 HD13 LEU 50 0.175 2.363 18.646 858 HD21 LEU 50 HD21 LEU 50 -0.699 4.760 16.087 859 HD22 LEU 50 HD22 LEU 50 -1.041 3.543 14.849 860 HD23 LEU 50 HD23 LEU 50 0.638 3.938 15.251 861 H LEU 51 HN LEU 51 1.886 -1.024 16.490 862 HA LEU 51 HA LEU 51 0.752 -3.093 14.785 863 HB2 LEU 51 HB2 LEU 51 3.127 -3.677 14.326 864 HB3 LEU 51 HB1 LEU 51 2.748 -2.025 13.898 865 HG LEU 51 HG LEU 51 3.760 -1.527 16.288 866 HD11 LEU 51 HD11 LEU 51 4.081 -3.795 16.984 867 HD12 LEU 51 HD12 LEU 51 5.637 -2.974 16.828 868 HD13 LEU 51 HD13 LEU 51 5.113 -4.116 15.589 869 HD21 LEU 51 HD21 LEU 51 4.622 -0.638 14.203 870 HD22 LEU 51 HD22 LEU 51 5.426 -2.172 13.863 871 HD23 LEU 51 HD23 LEU 51 5.949 -1.184 15.231 872 H SER 52 HN SER 52 0.946 -5.311 15.430 873 HA SER 52 HA SER 52 1.989 -6.327 17.741 874 HB2 SER 52 HB2 SER 52 0.427 -4.541 18.796 875 HB3 SER 52 HB1 SER 52 -0.863 -5.565 18.151 876 HG SER 52 HG SER 52 1.119 -6.301 20.041 877 H ASP 53 HN ASP 53 -1.209 -6.127 16.310 878 HA ASP 53 HA ASP 53 -1.187 -9.028 15.825 879 HB2 ASP 53 HB2 ASP 53 -2.888 -8.382 17.403 880 HB3 ASP 53 HB1 ASP 53 -3.428 -7.076 16.374 881 H GLU 54 HN GLU 54 -1.939 -5.867 14.576 882 HA GLU 54 HA GLU 54 -2.944 -6.826 12.032 883 HB2 GLU 54 HB2 GLU 54 -3.089 -4.488 11.398 884 HB3 GLU 54 HB1 GLU 54 -3.795 -4.747 12.988 885 HG2 GLU 54 HG2 GLU 54 -1.890 -3.797 14.070 886 HG3 GLU 54 HG1 GLU 54 -1.006 -3.731 12.552 887 H ASP 55 HN ASP 55 0.147 -6.377 13.219 888 HA ASP 55 HA ASP 55 1.168 -5.803 10.538 889 HB2 ASP 55 HB2 ASP 55 3.369 -5.594 11.526 890 HB3 ASP 55 HB1 ASP 55 2.232 -4.717 12.546 891 H ALA 56 HN ALA 56 1.064 -8.307 12.916 892 HA ALA 56 HA ALA 56 2.819 -10.184 11.878 893 HB1 ALA 56 HB1 ALA 56 1.820 -10.333 14.114 894 HB2 ALA 56 HB2 ALA 56 1.671 -11.839 13.194 895 HB3 ALA 56 HB3 ALA 56 0.279 -10.777 13.370 896 H GLU 57 HN GLU 57 -0.574 -9.703 11.049 897 HA GLU 57 HA GLU 57 -0.705 -12.096 9.503 898 HB2 GLU 57 HB2 GLU 57 -2.649 -11.080 10.652 899 HB3 GLU 57 HB1 GLU 57 -2.552 -9.694 9.594 900 HG2 GLU 57 HG2 GLU 57 -4.324 -11.282 8.941 901 HG3 GLU 57 HG1 GLU 57 -3.118 -11.066 7.675 902 H LEU 58 HN LEU 58 0.188 -8.850 8.978 903 HA LEU 58 HA LEU 58 -0.113 -8.998 6.129 904 HB2 LEU 58 HB2 LEU 58 0.769 -6.845 8.006 905 HB3 LEU 58 HB1 LEU 58 1.057 -6.689 6.291 906 HG LEU 58 HG LEU 58 -1.344 -6.716 5.836 907 HD11 LEU 58 HD11 LEU 58 -2.125 -8.213 7.570 908 HD12 LEU 58 HD12 LEU 58 -3.023 -6.693 7.585 909 HD13 LEU 58 HD13 LEU 58 -1.774 -6.993 8.794 910 HD21 LEU 58 HD21 LEU 58 -0.670 -4.807 8.061 911 HD22 LEU 58 HD22 LEU 58 -1.957 -4.604 6.870 912 HD23 LEU 58 HD23 LEU 58 -0.267 -4.593 6.363 913 H VAL 59 HN VAL 59 2.402 -9.591 8.405 914 HA VAL 59 HA VAL 59 4.620 -9.183 6.606 915 HB VAL 59 HB VAL 59 6.052 -10.208 8.189 916 HG11 VAL 59 HG11 VAL 59 5.507 -9.154 10.313 917 HG12 VAL 59 HG12 VAL 59 3.893 -8.811 9.692 918 HG13 VAL 59 HG13 VAL 59 5.308 -8.099 8.915 919 HG21 VAL 59 HG21 VAL 59 3.650 -11.434 9.556 920 HG22 VAL 59 HG22 VAL 59 5.318 -11.537 10.123 921 HG23 VAL 59 HG23 VAL 59 4.855 -12.295 8.597 922 H GLU 60 HN GLU 60 2.465 -11.807 7.139 923 HA GLU 60 HA GLU 60 4.112 -13.557 5.573 924 HB2 GLU 60 HB2 GLU 60 2.259 -15.223 5.959 925 HB3 GLU 60 HB1 GLU 60 3.066 -14.622 7.400 926 HG2 GLU 60 HG2 GLU 60 1.205 -13.095 7.799 927 HG3 GLU 60 HG1 GLU 60 0.391 -13.728 6.366 928 H ILE 61 HN ILE 61 1.269 -11.597 5.155 929 HA ILE 61 HA ILE 61 0.483 -12.646 2.655 930 HB ILE 61 HB ILE 61 0.027 -9.864 3.807 931 HG12 ILE 61 HG12 ILE 61 -1.791 -12.273 3.695 932 HG13 ILE 61 HG11 ILE 61 -0.922 -11.728 5.128 933 HG21 ILE 61 HG21 ILE 61 -1.790 -9.670 2.165 934 HG22 ILE 61 HG22 ILE 61 -1.336 -11.237 1.494 935 HG23 ILE 61 HG23 ILE 61 -0.224 -9.875 1.364 936 HD11 ILE 61 HD11 ILE 61 -3.256 -11.066 5.185 937 HD12 ILE 61 HD12 ILE 61 -3.061 -10.195 3.663 938 HD13 ILE 61 HD13 ILE 61 -2.203 -9.655 5.107 939 H VAL 62 HN VAL 62 2.617 -9.960 3.552 940 HA VAL 62 HA VAL 62 3.075 -9.140 0.917 941 HB VAL 62 HB VAL 62 3.554 -7.573 2.732 942 HG11 VAL 62 HG11 VAL 62 4.347 -9.108 4.420 943 HG12 VAL 62 HG12 VAL 62 5.494 -7.787 4.186 944 HG13 VAL 62 HG13 VAL 62 5.827 -9.381 3.503 945 HG21 VAL 62 HG21 VAL 62 4.766 -7.224 0.639 946 HG22 VAL 62 HG22 VAL 62 6.081 -8.239 1.227 947 HG23 VAL 62 HG23 VAL 62 5.729 -6.705 2.023 948 H LYS 63 HN LYS 63 4.980 -11.321 2.966 949 HA LYS 63 HA LYS 63 7.103 -11.701 1.141 950 HB2 LYS 63 HB2 LYS 63 7.738 -13.603 2.481 951 HB3 LYS 63 HB1 LYS 63 7.249 -12.285 3.533 952 HG2 LYS 63 HG2 LYS 63 5.053 -13.369 3.783 953 HG3 LYS 63 HG1 LYS 63 5.645 -14.731 2.844 954 HD2 LYS 63 HD2 LYS 63 6.757 -13.756 5.487 955 HD3 LYS 63 HD1 LYS 63 5.801 -15.210 5.226 956 HE2 LYS 63 HE2 LYS 63 7.604 -16.030 3.700 957 HE3 LYS 63 HE1 LYS 63 8.540 -14.623 4.148 958 HZ1 LYS 63 HZ1 LYS 63 7.586 -16.618 6.117 959 HZ2 LYS 63 HZ2 LYS 63 8.575 -15.291 6.420 960 HZ3 LYS 63 HZ3 LYS 63 9.152 -16.568 5.481 961 H GLU 64 HN GLU 64 3.973 -13.158 1.381 962 HA GLU 64 HA GLU 64 4.440 -15.316 -0.393 963 HB2 GLU 64 HB2 GLU 64 2.543 -15.359 1.104 964 HB3 GLU 64 HB1 GLU 64 1.913 -13.874 0.406 965 HG2 GLU 64 HG2 GLU 64 0.615 -15.540 -0.545 966 HG3 GLU 64 HG1 GLU 64 1.791 -15.110 -1.764 967 H ARG 65 HN ARG 65 2.767 -12.220 -0.801 968 HA ARG 65 HA ARG 65 2.376 -12.601 -3.585 969 HB2 ARG 65 HB2 ARG 65 2.205 -10.078 -1.953 970 HB3 ARG 65 HB1 ARG 65 1.560 -10.290 -3.580 971 HG2 ARG 65 HG2 ARG 65 0.034 -11.981 -2.801 972 HG3 ARG 65 HG1 ARG 65 0.731 -11.902 -1.185 973 HD2 ARG 65 HD2 ARG 65 -1.305 -10.676 -1.190 974 HD3 ARG 65 HD1 ARG 65 0.027 -9.540 -1.065 975 HE ARG 65 HE ARG 65 -0.294 -9.219 -3.542 976 HH11 ARG 65 HH11 ARG 65 -2.962 -10.257 -1.475 977 HH12 ARG 65 HH12 ARG 65 -4.155 -9.491 -2.393 978 HH21 ARG 65 HH21 ARG 65 -1.925 -8.153 -4.798 979 HH22 ARG 65 HH22 ARG 65 -3.562 -8.247 -4.311 980 H LEU 66 HN LEU 66 4.998 -11.493 -1.781 981 HA LEU 66 HA LEU 66 6.179 -9.753 -3.688 982 HB2 LEU 66 HB2 LEU 66 6.613 -9.802 -1.232 983 HB3 LEU 66 HB1 LEU 66 7.483 -11.295 -1.465 984 HG LEU 66 HG LEU 66 9.164 -10.131 -2.812 985 HD11 LEU 66 HD11 LEU 66 7.519 -7.693 -2.161 986 HD12 LEU 66 HD12 LEU 66 7.739 -8.400 -3.762 987 HD13 LEU 66 HD13 LEU 66 9.113 -7.665 -2.925 988 HD21 LEU 66 HD21 LEU 66 8.565 -8.820 -0.176 989 HD22 LEU 66 HD22 LEU 66 10.137 -8.830 -0.982 990 HD23 LEU 66 HD23 LEU 66 9.424 -10.341 -0.390 991 H ARG 67 HN ARG 67 5.990 -13.179 -3.401 992 HA ARG 67 HA ARG 67 8.432 -13.910 -4.631 993 HB2 ARG 67 HB2 ARG 67 7.525 -16.135 -4.847 994 HB3 ARG 67 HB1 ARG 67 6.968 -15.480 -3.317 995 HG2 ARG 67 HG2 ARG 67 4.830 -14.845 -4.566 996 HG3 ARG 67 HG1 ARG 67 5.406 -15.910 -5.844 997 HD2 ARG 67 HD2 ARG 67 4.985 -16.713 -2.970 998 HD3 ARG 67 HD1 ARG 67 3.836 -16.995 -4.263 999 HE ARG 67 HE ARG 67 6.218 -18.089 -5.064 1000 HH11 ARG 67 HH11 ARG 67 3.949 -18.530 -2.358 1001 HH12 ARG 67 HH12 ARG 67 4.170 -20.206 -2.245 1002 HH21 ARG 67 HH21 ARG 67 6.538 -20.399 -4.918 1003 HH22 ARG 67 HH22 ARG 67 5.678 -21.319 -3.780 1004 H ASN 68 HN ASN 68 5.315 -12.993 -5.944 1005 HA ASN 68 HA ASN 68 6.390 -12.550 -8.536 1006 HB2 ASN 68 HB2 ASN 68 6.137 -15.028 -8.600 1007 HB3 ASN 68 HB1 ASN 68 4.430 -14.836 -8.230 1008 HD21 ASN 68 HD21 ASN 68 3.046 -14.220 -9.839 1009 HD22 ASN 68 HD22 ASN 68 3.470 -14.173 -11.505 1010 HA PRO 69 HA PRO 69 2.571 -10.226 -7.571 1011 HB2 PRO 69 HB2 PRO 69 3.845 -7.767 -7.641 1012 HB3 PRO 69 HB1 PRO 69 3.470 -8.695 -6.186 1013 HG2 PRO 69 HG2 PRO 69 6.058 -8.114 -7.247 1014 HG3 PRO 69 HG1 PRO 69 5.677 -9.162 -5.873 1015 HD2 PRO 69 HD2 PRO 69 6.316 -9.871 -8.670 1016 HD3 PRO 69 HD1 PRO 69 6.504 -10.826 -7.189 1017 H LYS 70 HN LYS 70 5.103 -9.043 -9.818 1018 HA LYS 70 HA LYS 70 5.108 -8.004 -11.764 1019 HB2 LYS 70 HB2 LYS 70 2.419 -9.332 -12.104 1020 HB3 LYS 70 HB1 LYS 70 2.973 -8.159 -13.277 1021 HG2 LYS 70 HG2 LYS 70 3.443 -10.362 -14.094 1022 HG3 LYS 70 HG1 LYS 70 4.958 -9.572 -13.695 1023 HD2 LYS 70 HD2 LYS 70 5.089 -10.821 -11.622 1024 HD3 LYS 70 HD1 LYS 70 3.523 -11.564 -11.944 1025 HE2 LYS 70 HE2 LYS 70 6.009 -11.866 -13.635 1026 HE3 LYS 70 HE1 LYS 70 5.379 -13.068 -12.519 1027 HZ1 LYS 70 HZ1 LYS 70 3.354 -13.162 -13.908 1028 HZ2 LYS 70 HZ2 LYS 70 4.737 -13.624 -14.716 1029 HZ3 LYS 70 HZ3 LYS 70 4.091 -12.114 -15.021 1030 HA PRO 71 HA PRO 71 3.132 -4.340 -10.063 1031 HB2 PRO 71 HB2 PRO 71 5.271 -2.707 -10.413 1032 HB3 PRO 71 HB1 PRO 71 5.058 -3.737 -8.994 1033 HG2 PRO 71 HG2 PRO 71 6.807 -4.106 -11.366 1034 HG3 PRO 71 HG1 PRO 71 7.089 -4.583 -9.683 1035 HD2 PRO 71 HD2 PRO 71 6.292 -6.258 -11.735 1036 HD3 PRO 71 HD1 PRO 71 6.098 -6.608 -10.006 1037 H VAL 72 HN VAL 72 1.906 -3.163 -11.253 1038 HA VAL 72 HA VAL 72 2.516 -2.586 -14.028 1039 HB VAL 72 HB VAL 72 -0.014 -2.076 -12.421 1040 HG11 VAL 72 HG11 VAL 72 0.175 -0.596 -14.333 1041 HG12 VAL 72 HG12 VAL 72 -1.099 -1.784 -14.614 1042 HG13 VAL 72 HG13 VAL 72 0.470 -1.967 -15.397 1043 HG21 VAL 72 HG21 VAL 72 0.592 -4.333 -14.339 1044 HG22 VAL 72 HG22 VAL 72 -0.972 -4.024 -13.582 1045 HG23 VAL 72 HG23 VAL 72 0.413 -4.472 -12.591 1046 H ARG 73 HN ARG 73 3.197 -0.643 -14.555 1047 HA ARG 73 HA ARG 73 3.900 1.241 -12.532 1048 HB2 ARG 73 HB2 ARG 73 5.290 0.709 -14.496 1049 HB3 ARG 73 HB1 ARG 73 4.066 1.419 -15.536 1050 HG2 ARG 73 HG2 ARG 73 5.940 2.916 -15.180 1051 HG3 ARG 73 HG1 ARG 73 4.445 3.580 -14.512 1052 HD2 ARG 73 HD2 ARG 73 5.097 3.133 -12.312 1053 HD3 ARG 73 HD1 ARG 73 6.370 2.019 -12.822 1054 HE ARG 73 HE ARG 73 6.575 4.786 -13.638 1055 HH11 ARG 73 HH11 ARG 73 7.433 2.468 -11.134 1056 HH12 ARG 73 HH12 ARG 73 9.038 3.013 -11.000 1057 HH21 ARG 73 HH21 ARG 73 8.744 5.594 -13.384 1058 HH22 ARG 73 HH22 ARG 73 9.812 4.863 -12.270 1059 H VAL 74 HN VAL 74 2.563 2.793 -11.781 1060 HA VAL 74 HA VAL 74 0.637 3.924 -13.634 1061 HB VAL 74 HB VAL 74 -1.139 3.933 -11.872 1062 HG11 VAL 74 HG11 VAL 74 -0.193 1.190 -12.683 1063 HG12 VAL 74 HG12 VAL 74 -1.192 2.272 -13.649 1064 HG13 VAL 74 HG13 VAL 74 -1.820 1.605 -12.138 1065 HG21 VAL 74 HG21 VAL 74 0.703 2.021 -10.460 1066 HG22 VAL 74 HG22 VAL 74 -0.963 2.399 -9.998 1067 HG23 VAL 74 HG23 VAL 74 0.277 3.653 -9.942 1068 H THR 75 HN THR 75 -0.577 5.700 -12.456 1069 HA THR 75 HA THR 75 1.123 7.387 -10.805 1070 HB THR 75 HB THR 75 0.258 9.353 -12.146 1071 HG1 THR 75 HG1 THR 75 -0.514 7.344 -14.012 1072 HG21 THR 75 HG21 THR 75 2.522 8.516 -12.586 1073 HG22 THR 75 HG22 THR 75 1.770 9.095 -14.074 1074 HG23 THR 75 HG23 THR 75 1.870 7.363 -13.752 1075 H LEU 76 HN LEU 76 -0.357 9.085 -9.754 1076 HA LEU 76 HA LEU 76 -2.773 7.826 -8.806 1077 HB2 LEU 76 HB2 LEU 76 -1.687 10.607 -8.374 1078 HB3 LEU 76 HB1 LEU 76 -3.052 9.916 -7.517 1079 HG LEU 76 HG LEU 76 -0.268 8.828 -7.425 1080 HD11 LEU 76 HD11 LEU 76 -0.186 9.823 -5.179 1081 HD12 LEU 76 HD12 LEU 76 -1.762 10.564 -5.456 1082 HD13 LEU 76 HD13 LEU 76 -0.369 11.062 -6.420 1083 HD21 LEU 76 HD21 LEU 76 -1.975 7.186 -6.962 1084 HD22 LEU 76 HD22 LEU 76 -2.706 8.245 -5.747 1085 HD23 LEU 76 HD23 LEU 76 -1.086 7.585 -5.505 1086 H ASP 77 HN ASP 77 -1.811 10.042 -11.141 1087 HA ASP 77 HA ASP 77 -4.109 11.481 -11.749 1088 HB2 ASP 77 HB2 ASP 77 -1.892 11.990 -12.642 1089 HB3 ASP 77 HB1 ASP 77 -1.902 10.492 -13.561 1090 H GLU 78 HN GLU 78 -3.015 8.303 -12.875 1091 HA GLU 78 HA GLU 78 -5.365 8.001 -14.547 1092 HB2 GLU 78 HB2 GLU 78 -4.355 5.902 -15.266 1093 HB3 GLU 78 HB1 GLU 78 -3.244 7.246 -15.440 1094 HG2 GLU 78 HG2 GLU 78 -2.232 6.577 -13.274 1095 HG3 GLU 78 HG1 GLU 78 -3.201 5.115 -13.310 1096 H LEU 79 HN LEU 79 -4.683 7.413 -11.316 1097 HA LEU 79 HA LEU 79 -6.245 5.011 -11.144 1098 HB2 LEU 79 HB2 LEU 79 -5.376 6.887 -8.948 1099 HB3 LEU 79 HB1 LEU 79 -6.189 5.360 -8.698 1100 HG LEU 79 HG LEU 79 -3.392 5.819 -9.693 1101 HD11 LEU 79 HD11 LEU 79 -2.810 4.474 -7.736 1102 HD12 LEU 79 HD12 LEU 79 -4.513 4.391 -7.300 1103 HD13 LEU 79 HD13 LEU 79 -3.681 5.946 -7.301 1104 HD21 LEU 79 HD21 LEU 79 -4.345 4.019 -11.028 1105 HD22 LEU 79 HD22 LEU 79 -4.923 3.219 -9.570 1106 HD23 LEU 79 HD23 LEU 79 -3.191 3.370 -9.863 Start of MODEL 20 1 H MET 1 H MET 1 3.332 14.280 -8.986 2 HA MET 1 HA MET 1 4.888 12.413 -9.019 3 HB2 MET 1 HB2 MET 1 4.497 13.596 -11.132 4 HB3 MET 1 HB1 MET 1 5.699 14.798 -10.706 5 HG2 MET 1 HG2 MET 1 7.455 13.127 -10.851 6 HG3 MET 1 HG1 MET 1 6.261 11.877 -11.182 7 HE1 MET 1 HE1 MET 1 7.758 11.194 -13.324 8 HE2 MET 1 HE2 MET 1 8.877 12.506 -12.974 9 HE3 MET 1 HE3 MET 1 8.201 12.334 -14.592 10 H ALA 2 HN ALA 2 6.525 11.587 -7.925 11 HA ALA 2 HA ALA 2 9.047 12.923 -7.776 12 HB1 ALA 2 HB1 ALA 2 7.495 12.255 -5.261 13 HB2 ALA 2 HB2 ALA 2 8.001 13.864 -5.786 14 HB3 ALA 2 HB3 ALA 2 9.207 12.665 -5.310 15 H TYR 3 HN TYR 3 7.530 10.460 -5.771 16 HA TYR 3 HA TYR 3 9.300 8.431 -6.788 17 HB2 TYR 3 HB2 TYR 3 7.098 8.498 -4.743 18 HB3 TYR 3 HB1 TYR 3 7.633 6.957 -5.387 19 HD1 TYR 3 HD1 TYR 3 8.931 10.024 -3.693 20 HD2 TYR 3 HD2 TYR 3 9.368 5.853 -4.370 21 HE1 TYR 3 HE1 TYR 3 10.706 9.928 -1.978 22 HE2 TYR 3 HE2 TYR 3 11.135 5.740 -2.679 23 HH TYR 3 HH TYR 3 11.735 8.209 -0.480 24 H PHE 4 HN PHE 4 8.575 6.645 -7.988 25 HA PHE 4 HA PHE 4 6.272 7.187 -9.647 26 HB2 PHE 4 HB2 PHE 4 7.963 4.666 -9.557 27 HB3 PHE 4 HB1 PHE 4 6.837 5.125 -10.817 28 HD1 PHE 4 HD2 PHE 4 7.347 7.401 -12.018 29 HD2 PHE 4 HD1 PHE 4 10.214 5.118 -9.862 30 HE1 PHE 4 HE2 PHE 4 9.163 8.525 -13.244 31 HE2 PHE 4 HE1 PHE 4 12.032 6.232 -11.080 32 HZ PHE 4 HZ PHE 4 11.518 7.934 -12.766 33 H LEU 5 HN LEU 5 4.530 5.427 -9.837 34 HA LEU 5 HA LEU 5 4.090 4.293 -7.193 35 HB2 LEU 5 HB2 LEU 5 2.596 6.205 -7.654 36 HB3 LEU 5 HB1 LEU 5 2.114 5.454 -9.154 37 HG LEU 5 HG LEU 5 1.007 3.677 -7.958 38 HD11 LEU 5 HD11 LEU 5 2.421 3.584 -5.944 39 HD12 LEU 5 HD12 LEU 5 0.729 3.809 -5.497 40 HD13 LEU 5 HD13 LEU 5 1.843 5.176 -5.454 41 HD21 LEU 5 HD21 LEU 5 -0.766 5.047 -6.925 42 HD22 LEU 5 HD22 LEU 5 -0.265 5.601 -8.524 43 HD23 LEU 5 HD23 LEU 5 0.288 6.451 -7.082 44 H ASP 6 HN ASP 6 3.250 2.178 -7.207 45 HA ASP 6 HA ASP 6 2.912 0.930 -9.824 46 HB2 ASP 6 HB2 ASP 6 5.394 0.809 -8.841 47 HB3 ASP 6 HB1 ASP 6 4.682 -0.470 -7.859 48 H PHE 7 HN PHE 7 1.732 -0.977 -9.670 49 HA PHE 7 HA PHE 7 0.715 -1.751 -7.043 50 HB2 PHE 7 HB2 PHE 7 -0.946 -0.792 -9.326 51 HB3 PHE 7 HB1 PHE 7 -1.584 -2.091 -8.342 52 HD1 PHE 7 HD1 PHE 7 -0.332 1.397 -8.214 53 HD2 PHE 7 HD2 PHE 7 -2.603 -1.625 -6.290 54 HE1 PHE 7 HE1 PHE 7 -1.194 3.060 -6.631 55 HE2 PHE 7 HE2 PHE 7 -3.471 0.033 -4.695 56 HZ PHE 7 HZ PHE 7 -2.768 2.383 -4.866 57 H ASP 8 HN ASP 8 0.447 -3.808 -6.765 58 HA ASP 8 HA ASP 8 1.392 -5.774 -8.552 59 HB2 ASP 8 HB2 ASP 8 1.511 -6.226 -6.226 60 HB3 ASP 8 HB1 ASP 8 -0.184 -5.841 -5.981 61 H GLU 9 HN GLU 9 0.272 -7.356 -9.704 62 HA GLU 9 HA GLU 9 -1.868 -6.823 -11.290 63 HB2 GLU 9 HB2 GLU 9 -0.845 -9.419 -10.215 64 HB3 GLU 9 HB1 GLU 9 -2.165 -9.360 -11.371 65 HG2 GLU 9 HG2 GLU 9 0.435 -8.005 -11.923 66 HG3 GLU 9 HG1 GLU 9 0.216 -9.727 -12.226 67 H ARG 10 HN ARG 10 -2.022 -8.330 -8.059 68 HA ARG 10 HA ARG 10 -4.868 -8.720 -8.317 69 HB2 ARG 10 HB2 ARG 10 -3.054 -9.093 -5.926 70 HB3 ARG 10 HB1 ARG 10 -4.767 -9.463 -5.946 71 HG2 ARG 10 HG2 ARG 10 -2.649 -10.797 -7.619 72 HG3 ARG 10 HG1 ARG 10 -3.414 -11.472 -6.178 73 HD2 ARG 10 HD2 ARG 10 -4.751 -10.809 -8.804 74 HD3 ARG 10 HD1 ARG 10 -4.393 -12.412 -8.180 75 HE ARG 10 HE ARG 10 -6.021 -10.966 -6.359 76 HH11 ARG 10 HH11 ARG 10 -6.150 -12.918 -9.302 77 HH12 ARG 10 HH12 ARG 10 -7.825 -13.193 -9.215 78 HH21 ARG 10 HH21 ARG 10 -8.327 -11.342 -6.223 79 HH22 ARG 10 HH22 ARG 10 -9.092 -12.255 -7.436 80 H ALA 11 HN ALA 11 -2.642 -6.528 -6.777 81 HA ALA 11 HA ALA 11 -4.422 -5.152 -5.097 82 HB1 ALA 11 HB1 ALA 11 -1.976 -4.925 -4.952 83 HB2 ALA 11 HB2 ALA 11 -2.784 -3.360 -5.027 84 HB3 ALA 11 HB3 ALA 11 -1.983 -4.008 -6.461 85 H LEU 12 HN LEU 12 -3.778 -4.758 -8.481 86 HA LEU 12 HA LEU 12 -5.205 -2.396 -9.118 87 HB2 LEU 12 HB2 LEU 12 -5.008 -4.971 -10.654 88 HB3 LEU 12 HB1 LEU 12 -5.488 -3.427 -11.334 89 HG LEU 12 HG LEU 12 -2.742 -4.090 -10.233 90 HD11 LEU 12 HD11 LEU 12 -3.699 -3.874 -13.078 91 HD12 LEU 12 HD12 LEU 12 -3.257 -5.362 -12.240 92 HD13 LEU 12 HD13 LEU 12 -2.032 -4.131 -12.555 93 HD21 LEU 12 HD21 LEU 12 -2.052 -2.028 -11.340 94 HD22 LEU 12 HD22 LEU 12 -3.271 -1.714 -10.106 95 HD23 LEU 12 HD23 LEU 12 -3.723 -1.716 -11.811 96 H LYS 13 HN LYS 13 -6.290 -5.683 -8.842 97 HA LYS 13 HA LYS 13 -8.985 -5.121 -9.630 98 HB2 LYS 13 HB2 LYS 13 -8.079 -7.565 -8.122 99 HB3 LYS 13 HB1 LYS 13 -9.381 -7.432 -9.294 100 HG2 LYS 13 HG2 LYS 13 -6.425 -7.298 -9.886 101 HG3 LYS 13 HG1 LYS 13 -7.497 -8.651 -10.222 102 HD2 LYS 13 HD2 LYS 13 -8.656 -7.423 -11.896 103 HD3 LYS 13 HD1 LYS 13 -7.897 -5.905 -11.406 104 HE2 LYS 13 HE2 LYS 13 -5.771 -6.667 -12.096 105 HE3 LYS 13 HE1 LYS 13 -6.382 -8.279 -12.502 106 HZ1 LYS 13 HZ1 LYS 13 -6.980 -5.700 -13.857 107 HZ2 LYS 13 HZ2 LYS 13 -7.786 -7.133 -14.210 108 HZ3 LYS 13 HZ3 LYS 13 -6.129 -7.010 -14.495 109 H GLU 14 HN GLU 14 -7.173 -5.364 -6.716 110 HA GLU 14 HA GLU 14 -9.146 -5.705 -4.819 111 HB2 GLU 14 HB2 GLU 14 -6.529 -4.290 -4.647 112 HB3 GLU 14 HB1 GLU 14 -7.535 -4.653 -3.248 113 HG2 GLU 14 HG2 GLU 14 -6.354 -6.687 -5.152 114 HG3 GLU 14 HG1 GLU 14 -5.655 -6.243 -3.607 115 H TRP 15 HN TRP 15 -7.865 -2.605 -6.128 116 HA TRP 15 HA TRP 15 -9.534 -1.189 -4.292 117 HB2 TRP 15 HB2 TRP 15 -8.836 0.891 -5.257 118 HB3 TRP 15 HB1 TRP 15 -7.429 -0.147 -5.269 119 HD1 TRP 15 HD1 TRP 15 -10.184 0.982 -7.796 120 HE1 TRP 15 HE1 TRP 15 -9.077 1.357 -10.078 121 HE3 TRP 15 HE3 TRP 15 -5.416 -0.432 -6.640 122 HZ2 TRP 15 HZ2 TRP 15 -6.568 1.106 -11.232 123 HZ3 TRP 15 HZ3 TRP 15 -3.723 -0.316 -8.412 124 HH2 TRP 15 HH2 TRP 15 -4.286 0.439 -10.657 125 H ARG 16 HN ARG 16 -9.871 -2.482 -7.390 126 HA ARG 16 HA ARG 16 -12.150 -0.975 -8.174 127 HB2 ARG 16 HB2 ARG 16 -11.217 -3.660 -9.179 128 HB3 ARG 16 HB1 ARG 16 -12.349 -2.575 -9.987 129 HG2 ARG 16 HG2 ARG 16 -10.536 -0.856 -10.066 130 HG3 ARG 16 HG1 ARG 16 -9.470 -2.047 -9.384 131 HD2 ARG 16 HD2 ARG 16 -9.230 -1.866 -11.798 132 HD3 ARG 16 HD1 ARG 16 -9.663 -3.489 -11.282 133 HE ARG 16 HE ARG 16 -12.056 -2.419 -11.859 134 HH11 ARG 16 HH11 ARG 16 -9.067 -2.476 -13.722 135 HH12 ARG 16 HH12 ARG 16 -9.825 -2.300 -15.235 136 HH21 ARG 16 HH21 ARG 16 -13.113 -2.152 -13.909 137 HH22 ARG 16 HH22 ARG 16 -12.204 -2.156 -15.350 138 H LYS 17 HN LYS 17 -11.728 -3.954 -6.415 139 HA LYS 17 HA LYS 17 -14.574 -4.519 -6.485 140 HB2 LYS 17 HB2 LYS 17 -13.947 -6.604 -5.173 141 HB3 LYS 17 HB1 LYS 17 -13.283 -6.479 -6.792 142 HG2 LYS 17 HG2 LYS 17 -11.506 -7.296 -5.494 143 HG3 LYS 17 HG1 LYS 17 -11.183 -5.576 -5.688 144 HD2 LYS 17 HD2 LYS 17 -10.738 -5.835 -3.448 145 HD3 LYS 17 HD1 LYS 17 -12.441 -5.397 -3.398 146 HE2 LYS 17 HE2 LYS 17 -11.999 -7.245 -1.925 147 HE3 LYS 17 HE1 LYS 17 -13.024 -7.781 -3.259 148 HZ1 LYS 17 HZ1 LYS 17 -11.179 -8.846 -4.283 149 HZ2 LYS 17 HZ2 LYS 17 -11.098 -9.305 -2.656 150 HZ3 LYS 17 HZ3 LYS 17 -10.074 -8.106 -3.262 151 H LEU 18 HN LEU 18 -12.706 -2.606 -4.559 152 HA LEU 18 HA LEU 18 -14.395 -3.224 -2.278 153 HB2 LEU 18 HB2 LEU 18 -12.879 -1.802 -0.889 154 HB3 LEU 18 HB1 LEU 18 -12.177 -3.263 -1.537 155 HG LEU 18 HG LEU 18 -11.141 -1.782 -3.324 156 HD11 LEU 18 HD11 LEU 18 -12.477 0.220 -3.011 157 HD12 LEU 18 HD12 LEU 18 -10.765 0.558 -2.734 158 HD13 LEU 18 HD13 LEU 18 -11.863 0.367 -1.363 159 HD21 LEU 18 HD21 LEU 18 -9.304 -1.122 -1.869 160 HD22 LEU 18 HD22 LEU 18 -9.851 -2.773 -1.569 161 HD23 LEU 18 HD23 LEU 18 -10.299 -1.474 -0.455 162 H GLY 19 HN GLY 19 -13.843 -0.573 -4.474 163 HA2 GLY 19 HA2 GLY 19 -16.126 0.560 -4.653 164 HA3 GLY 19 HA1 GLY 19 -15.861 0.918 -2.955 165 H SER 20 HN SER 20 -16.204 3.131 -3.942 166 HA SER 20 HA SER 20 -13.849 4.138 -5.332 167 HB2 SER 20 HB2 SER 20 -16.435 5.564 -4.749 168 HB3 SER 20 HB1 SER 20 -15.143 6.078 -5.842 169 HG SER 20 HG SER 20 -16.237 3.551 -6.222 170 H THR 21 HN THR 21 -15.865 5.128 -2.503 171 HA THR 21 HA THR 21 -14.385 7.319 -1.739 172 HB THR 21 HB THR 21 -15.941 5.459 0.072 173 HG1 THR 21 HG1 THR 21 -16.620 7.347 -1.875 174 HG21 THR 21 HG21 THR 21 -14.608 7.177 1.263 175 HG22 THR 21 HG22 THR 21 -16.337 7.489 1.395 176 HG23 THR 21 HG23 THR 21 -15.356 8.432 0.272 177 H VAL 22 HN VAL 22 -13.940 3.956 -0.779 178 HA VAL 22 HA VAL 22 -11.942 4.418 1.140 179 HB VAL 22 HB VAL 22 -12.540 1.978 -0.529 180 HG11 VAL 22 HG11 VAL 22 -10.667 2.219 1.844 181 HG12 VAL 22 HG12 VAL 22 -10.178 1.903 0.179 182 HG13 VAL 22 HG13 VAL 22 -11.129 0.709 1.060 183 HG21 VAL 22 HG21 VAL 22 -13.502 1.126 1.545 184 HG22 VAL 22 HG22 VAL 22 -14.267 2.642 1.054 185 HG23 VAL 22 HG23 VAL 22 -13.082 2.631 2.356 186 H ARG 23 HN ARG 23 -11.695 3.830 -2.358 187 HA ARG 23 HA ARG 23 -8.855 3.721 -2.182 188 HB2 ARG 23 HB2 ARG 23 -8.789 3.459 -4.585 189 HB3 ARG 23 HB1 ARG 23 -10.063 2.461 -3.914 190 HG2 ARG 23 HG2 ARG 23 -11.738 4.053 -4.685 191 HG3 ARG 23 HG1 ARG 23 -10.455 5.067 -5.363 192 HD2 ARG 23 HD2 ARG 23 -9.719 3.159 -6.742 193 HD3 ARG 23 HD1 ARG 23 -11.060 2.223 -6.109 194 HE ARG 23 HE ARG 23 -12.555 3.587 -7.307 195 HH11 ARG 23 HH11 ARG 23 -9.175 4.288 -8.039 196 HH12 ARG 23 HH12 ARG 23 -9.453 4.885 -9.610 197 HH21 ARG 23 HH21 ARG 23 -12.962 4.360 -9.515 198 HH22 ARG 23 HH22 ARG 23 -11.672 4.881 -10.482 199 H GLU 24 HN GLU 24 -11.141 6.245 -2.698 200 HA GLU 24 HA GLU 24 -9.276 8.131 -3.704 201 HB2 GLU 24 HB2 GLU 24 -11.869 8.601 -2.220 202 HB3 GLU 24 HB1 GLU 24 -10.961 9.824 -3.099 203 HG2 GLU 24 HG2 GLU 24 -11.299 8.554 -5.176 204 HG3 GLU 24 HG1 GLU 24 -12.263 7.382 -4.276 205 H GLN 25 HN GLN 25 -10.309 7.183 -0.486 206 HA GLN 25 HA GLN 25 -8.876 9.121 0.988 207 HB2 GLN 25 HB2 GLN 25 -9.655 6.298 1.720 208 HB3 GLN 25 HB1 GLN 25 -8.953 7.445 2.843 209 HG2 GLN 25 HG2 GLN 25 -10.894 8.909 2.514 210 HG3 GLN 25 HG1 GLN 25 -11.592 7.701 1.435 211 HE21 GLN 25 HE21 GLN 25 -12.400 5.824 2.274 212 HE22 GLN 25 HE22 GLN 25 -12.659 5.564 3.964 213 H LEU 26 HN LEU 26 -8.058 5.935 -0.221 214 HA LEU 26 HA LEU 26 -5.513 5.733 0.928 215 HB2 LEU 26 HB2 LEU 26 -6.560 4.516 -1.625 216 HB3 LEU 26 HB1 LEU 26 -5.077 4.036 -0.825 217 HG LEU 26 HG LEU 26 -7.850 3.764 0.339 218 HD11 LEU 26 HD11 LEU 26 -7.552 1.377 0.007 219 HD12 LEU 26 HD12 LEU 26 -6.002 1.670 -0.771 220 HD13 LEU 26 HD13 LEU 26 -7.489 2.239 -1.528 221 HD21 LEU 26 HD21 LEU 26 -6.173 4.072 2.084 222 HD22 LEU 26 HD22 LEU 26 -5.176 2.815 1.364 223 HD23 LEU 26 HD23 LEU 26 -6.739 2.404 2.067 224 H LYS 27 HN LYS 27 -6.604 7.181 -2.084 225 HA LYS 27 HA LYS 27 -4.050 7.740 -3.118 226 HB2 LYS 27 HB2 LYS 27 -6.681 9.116 -3.632 227 HB3 LYS 27 HB1 LYS 27 -5.204 9.461 -4.521 228 HG2 LYS 27 HG2 LYS 27 -5.117 7.166 -5.323 229 HG3 LYS 27 HG1 LYS 27 -6.553 6.775 -4.380 230 HD2 LYS 27 HD2 LYS 27 -7.139 7.114 -6.706 231 HD3 LYS 27 HD1 LYS 27 -7.851 8.380 -5.709 232 HE2 LYS 27 HE2 LYS 27 -6.086 9.921 -6.394 233 HE3 LYS 27 HE1 LYS 27 -5.323 8.643 -7.339 234 HZ1 LYS 27 HZ1 LYS 27 -8.011 9.818 -7.840 235 HZ2 LYS 27 HZ2 LYS 27 -7.329 8.548 -8.717 236 HZ3 LYS 27 HZ3 LYS 27 -6.607 10.071 -8.747 237 H LYS 28 HN LYS 28 -5.893 9.360 -0.674 238 HA LYS 28 HA LYS 28 -4.480 11.846 -0.687 239 HB2 LYS 28 HB2 LYS 28 -6.340 10.476 1.135 240 HB3 LYS 28 HB1 LYS 28 -5.158 11.465 1.956 241 HG2 LYS 28 HG2 LYS 28 -7.118 12.764 1.695 242 HG3 LYS 28 HG1 LYS 28 -5.922 13.403 0.586 243 HD2 LYS 28 HD2 LYS 28 -8.128 11.506 -0.229 244 HD3 LYS 28 HD1 LYS 28 -8.297 13.255 -0.273 245 HE2 LYS 28 HE2 LYS 28 -6.335 13.308 -1.843 246 HE3 LYS 28 HE1 LYS 28 -6.387 11.546 -1.865 247 HZ1 LYS 28 HZ1 LYS 28 -8.679 11.693 -2.674 248 HZ2 LYS 28 HZ2 LYS 28 -7.590 12.451 -3.735 249 HZ3 LYS 28 HZ3 LYS 28 -8.538 13.372 -2.714 250 H LYS 29 HN LYS 29 -4.037 8.802 0.935 251 HA LYS 29 HA LYS 29 -1.812 9.680 2.482 252 HB2 LYS 29 HB2 LYS 29 -2.824 6.925 1.834 253 HB3 LYS 29 HB1 LYS 29 -1.603 7.298 3.045 254 HG2 LYS 29 HG2 LYS 29 -4.431 8.334 3.087 255 HG3 LYS 29 HG1 LYS 29 -3.871 6.942 4.006 256 HD2 LYS 29 HD2 LYS 29 -2.210 8.425 5.111 257 HD3 LYS 29 HD1 LYS 29 -2.946 9.796 4.274 258 HE2 LYS 29 HE2 LYS 29 -5.058 9.344 5.331 259 HE3 LYS 29 HE1 LYS 29 -4.389 7.923 6.134 260 HZ1 LYS 29 HZ1 LYS 29 -4.402 9.758 7.690 261 HZ2 LYS 29 HZ2 LYS 29 -3.657 10.757 6.578 262 HZ3 LYS 29 HZ3 LYS 29 -2.786 9.494 7.246 263 H LEU 30 HN LEU 30 -2.280 8.136 -0.557 264 HA LEU 30 HA LEU 30 0.461 7.474 -0.931 265 HB2 LEU 30 HB2 LEU 30 -1.757 7.683 -2.953 266 HB3 LEU 30 HB1 LEU 30 -0.149 7.081 -3.304 267 HG LEU 30 HG LEU 30 -2.131 5.809 -1.410 268 HD11 LEU 30 HD11 LEU 30 -1.196 4.960 -4.146 269 HD12 LEU 30 HD12 LEU 30 -2.801 5.570 -3.729 270 HD13 LEU 30 HD13 LEU 30 -2.249 4.029 -3.081 271 HD21 LEU 30 HD21 LEU 30 -0.532 3.933 -1.355 272 HD22 LEU 30 HD22 LEU 30 0.150 5.401 -0.670 273 HD23 LEU 30 HD23 LEU 30 0.613 4.890 -2.295 274 H VAL 31 HN VAL 31 -1.443 10.330 -1.700 275 HA VAL 31 HA VAL 31 0.581 11.390 -3.385 276 HB VAL 31 HB VAL 31 -1.817 12.152 -3.487 277 HG11 VAL 31 HG11 VAL 31 -1.150 13.751 -1.042 278 HG12 VAL 31 HG12 VAL 31 -2.309 12.431 -1.160 279 HG13 VAL 31 HG13 VAL 31 -2.601 13.937 -2.029 280 HG21 VAL 31 HG21 VAL 31 -1.318 14.511 -4.006 281 HG22 VAL 31 HG22 VAL 31 -0.118 13.400 -4.665 282 HG23 VAL 31 HG23 VAL 31 0.245 14.330 -3.215 283 H GLU 32 HN GLU 32 0.153 11.393 0.081 284 HA GLU 32 HA GLU 32 2.216 13.411 0.391 285 HB2 GLU 32 HB2 GLU 32 1.934 13.116 2.807 286 HB3 GLU 32 HB1 GLU 32 0.361 13.320 2.054 287 HG2 GLU 32 HG2 GLU 32 -0.086 10.971 2.232 288 HG3 GLU 32 HG1 GLU 32 1.545 10.663 2.814 289 H VAL 33 HN VAL 33 1.822 10.028 0.184 290 HA VAL 33 HA VAL 33 4.171 9.293 1.537 291 HB VAL 33 HB VAL 33 1.984 7.937 0.690 292 HG11 VAL 33 HG11 VAL 33 2.617 6.176 -0.880 293 HG12 VAL 33 HG12 VAL 33 4.134 7.027 -1.190 294 HG13 VAL 33 HG13 VAL 33 2.601 7.777 -1.628 295 HG21 VAL 33 HG21 VAL 33 3.061 5.942 1.446 296 HG22 VAL 33 HG22 VAL 33 3.400 7.350 2.471 297 HG23 VAL 33 HG23 VAL 33 4.626 6.754 1.325 298 H LEU 34 HN LEU 34 3.438 10.116 -1.774 299 HA LEU 34 HA LEU 34 5.926 9.271 -2.846 300 HB2 LEU 34 HB2 LEU 34 4.022 11.363 -3.917 301 HB3 LEU 34 HB1 LEU 34 5.317 10.595 -4.816 302 HG LEU 34 HG LEU 34 2.926 9.133 -3.705 303 HD11 LEU 34 HD11 LEU 34 3.513 10.068 -6.518 304 HD12 LEU 34 HD12 LEU 34 2.244 10.683 -5.453 305 HD13 LEU 34 HD13 LEU 34 2.171 9.025 -6.045 306 HD21 LEU 34 HD21 LEU 34 3.655 7.316 -5.167 307 HD22 LEU 34 HD22 LEU 34 4.897 7.721 -3.983 308 HD23 LEU 34 HD23 LEU 34 5.056 8.266 -5.655 309 H GLU 35 HN GLU 35 5.029 11.900 -0.942 310 HA GLU 35 HA GLU 35 7.391 13.407 -1.665 311 HB2 GLU 35 HB2 GLU 35 5.306 14.648 -1.191 312 HB3 GLU 35 HB1 GLU 35 5.284 13.975 0.431 313 HG2 GLU 35 HG2 GLU 35 6.118 16.268 0.436 314 HG3 GLU 35 HG1 GLU 35 7.363 15.136 0.965 315 H SER 36 HN SER 36 6.013 11.560 1.004 316 HA SER 36 HA SER 36 8.639 11.084 2.074 317 HB2 SER 36 HB2 SER 36 6.535 12.512 3.720 318 HB3 SER 36 HB1 SER 36 8.099 11.943 4.311 319 HG SER 36 HG SER 36 8.342 13.467 2.085 320 HA PRO 37 HA PRO 37 5.880 7.532 2.727 321 HB2 PRO 37 HB2 PRO 37 7.544 5.627 1.916 322 HB3 PRO 37 HB1 PRO 37 6.772 6.704 0.746 323 HG2 PRO 37 HG2 PRO 37 9.559 6.796 1.844 324 HG3 PRO 37 HG1 PRO 37 9.009 7.045 0.180 325 HD2 PRO 37 HD2 PRO 37 9.585 9.085 1.951 326 HD3 PRO 37 HD1 PRO 37 8.517 9.238 0.551 327 H ARG 38 HN ARG 38 8.495 8.661 4.337 328 HA ARG 38 HA ARG 38 8.985 6.322 5.936 329 HB2 ARG 38 HB2 ARG 38 10.105 9.111 6.110 330 HB3 ARG 38 HB1 ARG 38 10.507 7.859 7.268 331 HG2 ARG 38 HG2 ARG 38 11.424 6.486 5.470 332 HG3 ARG 38 HG1 ARG 38 11.008 7.747 4.305 333 HD2 ARG 38 HD2 ARG 38 13.367 7.846 4.926 334 HD3 ARG 38 HD1 ARG 38 12.502 9.292 5.436 335 HE ARG 38 HE ARG 38 12.621 7.322 7.484 336 HH11 ARG 38 HH11 ARG 38 14.508 9.891 5.927 337 HH12 ARG 38 HH12 ARG 38 15.470 10.224 7.288 338 HH21 ARG 38 HH21 ARG 38 13.984 7.736 9.355 339 HH22 ARG 38 HH22 ARG 38 15.170 8.933 9.312 340 H ILE 39 HN ILE 39 7.113 5.897 6.966 341 HA ILE 39 HA ILE 39 6.317 7.836 9.031 342 HB ILE 39 HB ILE 39 4.423 5.834 7.740 343 HG12 ILE 39 HG12 ILE 39 4.567 8.810 7.205 344 HG13 ILE 39 HG11 ILE 39 5.203 7.591 6.105 345 HG21 ILE 39 HG21 ILE 39 2.692 7.194 8.840 346 HG22 ILE 39 HG22 ILE 39 3.943 8.241 9.510 347 HG23 ILE 39 HG23 ILE 39 3.846 6.550 10.012 348 HD11 ILE 39 HD11 ILE 39 3.027 8.398 5.382 349 HD12 ILE 39 HD12 ILE 39 2.320 7.921 6.927 350 HD13 ILE 39 HD13 ILE 39 2.942 6.693 5.823 351 H GLU 40 HN GLU 40 7.543 6.882 10.685 352 HA GLU 40 HA GLU 40 7.869 4.090 10.957 353 HB2 GLU 40 HB2 GLU 40 8.804 4.495 13.165 354 HB3 GLU 40 HB1 GLU 40 9.441 5.647 12.006 355 HG2 GLU 40 HG2 GLU 40 8.186 7.410 12.904 356 HG3 GLU 40 HG1 GLU 40 7.133 6.311 13.800 357 H ALA 41 HN ALA 41 5.379 6.182 11.958 358 HA ALA 41 HA ALA 41 4.250 4.504 13.970 359 HB1 ALA 41 HB1 ALA 41 3.014 6.725 12.362 360 HB2 ALA 41 HB2 ALA 41 3.849 6.904 13.903 361 HB3 ALA 41 HB3 ALA 41 2.330 6.007 13.817 362 H ASN 42 HN ASN 42 4.305 4.358 10.564 363 HA ASN 42 HA ASN 42 1.934 2.615 10.573 364 HB2 ASN 42 HB2 ASN 42 2.963 4.400 8.346 365 HB3 ASN 42 HB1 ASN 42 1.837 3.093 8.055 366 HD21 ASN 42 HD21 ASN 42 1.644 5.078 10.925 367 HD22 ASN 42 HD22 ASN 42 0.228 5.944 10.480 368 H LYS 43 HN LYS 43 5.109 2.350 10.773 369 HA LYS 43 HA LYS 43 5.714 0.769 8.481 370 HB2 LYS 43 HB2 LYS 43 7.851 0.300 9.459 371 HB3 LYS 43 HB1 LYS 43 7.463 1.970 9.831 372 HG2 LYS 43 HG2 LYS 43 6.887 1.371 12.098 373 HG3 LYS 43 HG1 LYS 43 7.156 -0.340 11.740 374 HD2 LYS 43 HD2 LYS 43 9.512 0.207 11.176 375 HD3 LYS 43 HD1 LYS 43 9.213 1.870 11.684 376 HE2 LYS 43 HE2 LYS 43 8.941 -0.574 13.428 377 HE3 LYS 43 HE1 LYS 43 10.313 0.528 13.436 378 HZ1 LYS 43 HZ1 LYS 43 7.516 1.246 14.144 379 HZ2 LYS 43 HZ2 LYS 43 8.851 2.296 14.194 380 HZ3 LYS 43 HZ3 LYS 43 8.775 0.981 15.218 381 H LEU 44 HN LEU 44 6.157 -1.461 8.428 382 HA LEU 44 HA LEU 44 4.150 -2.936 9.863 383 HB2 LEU 44 HB2 LEU 44 4.484 -3.040 7.371 384 HB3 LEU 44 HB1 LEU 44 6.038 -3.779 7.650 385 HG LEU 44 HG LEU 44 4.980 -5.796 8.498 386 HD11 LEU 44 HD11 LEU 44 2.555 -6.008 8.542 387 HD12 LEU 44 HD12 LEU 44 2.380 -4.322 8.060 388 HD13 LEU 44 HD13 LEU 44 3.075 -4.728 9.632 389 HD21 LEU 44 HD21 LEU 44 5.186 -5.503 6.017 390 HD22 LEU 44 HD22 LEU 44 3.551 -4.861 6.016 391 HD23 LEU 44 HD23 LEU 44 3.835 -6.525 6.506 392 H ARG 45 HN ARG 45 4.708 -4.951 10.963 393 HA ARG 45 HA ARG 45 6.837 -4.371 12.760 394 HB2 ARG 45 HB2 ARG 45 4.688 -5.278 13.532 395 HB3 ARG 45 HB1 ARG 45 5.032 -6.791 12.713 396 HG2 ARG 45 HG2 ARG 45 6.909 -7.203 14.181 397 HG3 ARG 45 HG1 ARG 45 6.686 -5.636 14.956 398 HD2 ARG 45 HD2 ARG 45 5.723 -7.332 16.371 399 HD3 ARG 45 HD1 ARG 45 4.421 -6.375 15.676 400 HE ARG 45 HE ARG 45 5.022 -8.715 14.164 401 HH11 ARG 45 HH11 ARG 45 3.052 -7.438 16.863 402 HH12 ARG 45 HH12 ARG 45 2.052 -8.829 16.900 403 HH21 ARG 45 HH21 ARG 45 3.576 -10.616 14.351 404 HH22 ARG 45 HH22 ARG 45 2.352 -10.583 15.552 405 H GLY 46 HN GLY 46 6.265 -7.333 10.857 406 HA2 GLY 46 HA2 GLY 46 9.049 -8.052 11.279 407 HA3 GLY 46 HA1 GLY 46 7.815 -9.049 10.525 408 H MET 47 HN MET 47 7.928 -5.877 9.301 409 HA MET 47 HA MET 47 9.754 -6.600 7.152 410 HB2 MET 47 HB2 MET 47 6.880 -5.876 6.764 411 HB3 MET 47 HB1 MET 47 8.055 -5.705 5.474 412 HG2 MET 47 HG2 MET 47 7.289 -8.276 6.849 413 HG3 MET 47 HG1 MET 47 6.697 -7.741 5.281 414 HE1 MET 47 HE1 MET 47 7.908 -10.583 5.642 415 HE2 MET 47 HE2 MET 47 8.982 -10.691 4.242 416 HE3 MET 47 HE3 MET 47 7.399 -9.931 4.086 417 HA PRO 48 HA PRO 48 10.397 -2.189 8.178 418 HB2 PRO 48 HB2 PRO 48 13.073 -2.854 7.113 419 HB3 PRO 48 HB1 PRO 48 12.647 -2.115 8.661 420 HG2 PRO 48 HG2 PRO 48 13.566 -4.616 8.544 421 HG3 PRO 48 HG1 PRO 48 12.288 -4.162 9.688 422 HD2 PRO 48 HD2 PRO 48 12.050 -5.538 7.036 423 HD3 PRO 48 HD1 PRO 48 11.267 -5.939 8.583 424 H ASP 49 HN ASP 49 10.628 -0.479 6.701 425 HA ASP 49 HA ASP 49 10.514 0.661 4.779 426 HB2 ASP 49 HB2 ASP 49 11.861 -1.751 3.520 427 HB3 ASP 49 HB1 ASP 49 11.511 -0.266 2.642 428 H CYS 50 HN CYS 50 8.698 -1.689 5.567 429 HA CYS 50 HA CYS 50 6.900 -1.363 3.290 430 HB2 CYS 50 HB2 CYS 50 6.978 -3.608 5.329 431 HB3 CYS 50 HB1 CYS 50 5.930 -3.513 3.917 432 HG CYS 50 HG CYS 50 9.318 -3.733 3.756 433 H TYR 51 HN TYR 51 4.924 -0.527 3.868 434 HA TYR 51 HA TYR 51 4.464 0.012 6.711 435 HB2 TYR 51 HB2 TYR 51 4.189 2.077 4.500 436 HB3 TYR 51 HB1 TYR 51 3.866 2.329 6.207 437 HD1 TYR 51 HD2 TYR 51 6.520 1.790 3.703 438 HD2 TYR 51 HD1 TYR 51 5.652 2.876 7.707 439 HE1 TYR 51 HE2 TYR 51 8.838 2.536 3.992 440 HE2 TYR 51 HE1 TYR 51 7.970 3.629 8.008 441 HH TYR 51 HH TYR 51 10.124 3.291 7.066 442 H LYS 52 HN LYS 52 2.130 0.824 6.944 443 HA LYS 52 HA LYS 52 0.505 -0.090 4.742 444 HB2 LYS 52 HB2 LYS 52 -0.804 -1.598 5.933 445 HB3 LYS 52 HB1 LYS 52 0.758 -1.877 6.671 446 HG2 LYS 52 HG2 LYS 52 -1.376 -0.108 7.864 447 HG3 LYS 52 HG1 LYS 52 -1.203 -1.814 8.228 448 HD2 LYS 52 HD2 LYS 52 0.965 0.236 8.710 449 HD3 LYS 52 HD1 LYS 52 -0.239 -0.218 9.912 450 HE2 LYS 52 HE2 LYS 52 0.550 -2.595 9.644 451 HE3 LYS 52 HE1 LYS 52 1.871 -1.959 8.664 452 HZ1 LYS 52 HZ1 LYS 52 1.333 -1.104 11.451 453 HZ2 LYS 52 HZ2 LYS 52 2.764 -0.811 10.566 454 HZ3 LYS 52 HZ3 LYS 52 2.357 -2.345 11.050 455 H ILE 53 HN ILE 53 -1.037 1.256 4.319 456 HA ILE 53 HA ILE 53 -1.620 3.428 6.150 457 HB ILE 53 HB ILE 53 -2.579 2.834 3.340 458 HG12 ILE 53 HG12 ILE 53 -0.232 3.434 3.366 459 HG13 ILE 53 HG11 ILE 53 -1.163 4.745 2.656 460 HG21 ILE 53 HG21 ILE 53 -4.261 4.044 4.572 461 HG22 ILE 53 HG22 ILE 53 -3.539 5.054 3.324 462 HG23 ILE 53 HG23 ILE 53 -3.076 5.274 5.017 463 HD11 ILE 53 HD11 ILE 53 -0.013 4.658 5.447 464 HD12 ILE 53 HD12 ILE 53 -1.004 5.964 4.801 465 HD13 ILE 53 HD13 ILE 53 0.574 5.623 4.092 466 H LYS 54 HN LYS 54 -2.982 2.742 7.678 467 HA LYS 54 HA LYS 54 -5.173 1.121 6.739 468 HB2 LYS 54 HB2 LYS 54 -5.382 0.294 9.171 469 HB3 LYS 54 HB1 LYS 54 -4.074 -0.324 8.199 470 HG2 LYS 54 HG2 LYS 54 -3.077 0.066 10.271 471 HG3 LYS 54 HG1 LYS 54 -2.622 1.475 9.324 472 HD2 LYS 54 HD2 LYS 54 -3.247 2.222 11.507 473 HD3 LYS 54 HD1 LYS 54 -4.529 2.692 10.387 474 HE2 LYS 54 HE2 LYS 54 -5.469 1.804 12.454 475 HE3 LYS 54 HE1 LYS 54 -5.860 0.747 11.106 476 HZ1 LYS 54 HZ1 LYS 54 -3.638 0.272 13.032 477 HZ2 LYS 54 HZ2 LYS 54 -4.154 -0.839 11.871 478 HZ3 LYS 54 HZ3 LYS 54 -5.140 -0.413 13.136 479 H LEU 55 HN LEU 55 -6.994 1.894 6.597 480 HA LEU 55 HA LEU 55 -7.608 4.507 7.519 481 HB2 LEU 55 HB2 LEU 55 -9.416 2.426 6.249 482 HB3 LEU 55 HB1 LEU 55 -9.809 4.116 6.472 483 HG LEU 55 HG LEU 55 -7.679 3.008 4.645 484 HD11 LEU 55 HD11 LEU 55 -10.296 4.365 4.051 485 HD12 LEU 55 HD12 LEU 55 -9.947 2.651 3.850 486 HD13 LEU 55 HD13 LEU 55 -9.101 3.844 2.863 487 HD21 LEU 55 HD21 LEU 55 -8.530 5.864 5.123 488 HD22 LEU 55 HD22 LEU 55 -7.431 5.321 3.858 489 HD23 LEU 55 HD23 LEU 55 -6.969 5.159 5.550 490 H ARG 56 HN ARG 56 -8.214 4.964 9.379 491 HA ARG 56 HA ARG 56 -8.235 3.259 11.550 492 HB2 ARG 56 HB2 ARG 56 -9.513 5.970 11.392 493 HB3 ARG 56 HB1 ARG 56 -8.971 5.147 12.844 494 HG2 ARG 56 HG2 ARG 56 -6.680 5.314 12.149 495 HG3 ARG 56 HG1 ARG 56 -7.159 6.006 10.598 496 HD2 ARG 56 HD2 ARG 56 -8.258 7.849 11.854 497 HD3 ARG 56 HD1 ARG 56 -7.546 7.198 13.327 498 HE ARG 56 HE ARG 56 -5.483 7.552 11.525 499 HH11 ARG 56 HH11 ARG 56 -7.851 9.548 13.214 500 HH12 ARG 56 HH12 ARG 56 -6.886 10.948 13.206 501 HH21 ARG 56 HH21 ARG 56 -4.176 9.470 11.465 502 HH22 ARG 56 HH22 ARG 56 -4.743 10.912 12.188 503 H SER 57 HN SER 57 -11.056 4.767 9.998 504 HA SER 57 HA SER 57 -12.791 3.355 11.853 505 HB2 SER 57 HB2 SER 57 -13.502 5.358 9.713 506 HB3 SER 57 HB1 SER 57 -14.499 4.848 11.081 507 HG SER 57 HG SER 57 -12.516 5.619 12.327 508 H SER 58 HN SER 58 -11.901 3.373 8.468 509 HA SER 58 HA SER 58 -14.127 1.792 7.628 510 HB2 SER 58 HB2 SER 58 -11.578 2.414 6.115 511 HB3 SER 58 HB1 SER 58 -13.130 1.902 5.442 512 HG SER 58 HG SER 58 -13.988 3.843 6.481 513 H GLY 59 HN GLY 59 -10.830 1.104 8.685 514 HA2 GLY 59 HA2 GLY 59 -10.012 -0.906 9.433 515 HA3 GLY 59 HA1 GLY 59 -11.494 -1.690 8.901 516 H TYR 60 HN TYR 60 -10.146 0.199 6.517 517 HA TYR 60 HA TYR 60 -9.226 -2.160 5.062 518 HB2 TYR 60 HB2 TYR 60 -9.700 0.692 4.212 519 HB3 TYR 60 HB1 TYR 60 -8.938 -0.488 3.162 520 HD1 TYR 60 HD2 TYR 60 -12.075 0.244 5.012 521 HD2 TYR 60 HD1 TYR 60 -10.247 -1.936 1.869 522 HE1 TYR 60 HE2 TYR 60 -14.301 -0.439 4.204 523 HE2 TYR 60 HE1 TYR 60 -12.456 -2.633 1.049 524 HH TYR 60 HH TYR 60 -14.703 -2.889 1.846 525 H ARG 61 HN ARG 61 -7.165 -1.910 3.790 526 HA ARG 61 HA ARG 61 -5.249 -0.108 4.910 527 HB2 ARG 61 HB2 ARG 61 -3.707 -1.994 5.518 528 HB3 ARG 61 HB1 ARG 61 -5.083 -1.761 6.592 529 HG2 ARG 61 HG2 ARG 61 -6.254 -3.582 5.536 530 HG3 ARG 61 HG1 ARG 61 -4.931 -3.797 4.391 531 HD2 ARG 61 HD2 ARG 61 -4.930 -5.383 6.206 532 HD3 ARG 61 HD1 ARG 61 -3.459 -4.418 6.112 533 HE ARG 61 HE ARG 61 -4.419 -3.045 7.959 534 HH11 ARG 61 HH11 ARG 61 -5.436 -6.460 7.670 535 HH12 ARG 61 HH12 ARG 61 -5.831 -6.621 9.268 536 HH21 ARG 61 HH21 ARG 61 -4.891 -3.343 10.278 537 HH22 ARG 61 HH22 ARG 61 -5.539 -4.822 10.765 538 H LEU 62 HN LEU 62 -3.386 -0.071 3.800 539 HA LEU 62 HA LEU 62 -3.259 -1.539 1.280 540 HB2 LEU 62 HB2 LEU 62 -4.124 0.735 0.882 541 HB3 LEU 62 HB1 LEU 62 -2.779 1.418 1.751 542 HG LEU 62 HG LEU 62 -2.333 -0.135 -0.794 543 HD11 LEU 62 HD11 LEU 62 -2.981 2.799 -0.502 544 HD12 LEU 62 HD12 LEU 62 -3.991 1.580 -1.298 545 HD13 LEU 62 HD13 LEU 62 -2.425 2.011 -1.980 546 HD21 LEU 62 HD21 LEU 62 -0.839 2.121 0.551 547 HD22 LEU 62 HD22 LEU 62 -0.382 1.343 -0.960 548 HD23 LEU 62 HD23 LEU 62 -0.367 0.420 0.545 549 H VAL 63 HN VAL 63 -1.553 -2.747 1.435 550 HA VAL 63 HA VAL 63 0.665 -2.013 3.195 551 HB VAL 63 HB VAL 63 0.263 -4.600 1.686 552 HG11 VAL 63 HG11 VAL 63 2.518 -4.271 2.478 553 HG12 VAL 63 HG12 VAL 63 1.740 -5.567 3.391 554 HG13 VAL 63 HG13 VAL 63 1.926 -3.970 4.114 555 HG21 VAL 63 HG21 VAL 63 -1.687 -4.270 3.079 556 HG22 VAL 63 HG22 VAL 63 -0.668 -3.965 4.483 557 HG23 VAL 63 HG23 VAL 63 -0.688 -5.566 3.737 558 H TYR 64 HN TYR 64 2.521 -1.273 2.287 559 HA TYR 64 HA TYR 64 3.059 -1.923 -0.501 560 HB2 TYR 64 HB2 TYR 64 3.499 0.400 -1.098 561 HB3 TYR 64 HB1 TYR 64 1.844 0.240 -0.532 562 HD1 TYR 64 HD2 TYR 64 1.285 1.051 1.807 563 HD2 TYR 64 HD1 TYR 64 5.021 1.890 -0.054 564 HE1 TYR 64 HE2 TYR 64 1.674 2.872 3.407 565 HE2 TYR 64 HE1 TYR 64 5.408 3.707 1.551 566 HH TYR 64 HH TYR 64 3.522 4.130 4.351 567 H GLN 65 HN GLN 65 5.266 -1.390 -1.077 568 HA GLN 65 HA GLN 65 7.020 -1.166 1.237 569 HB2 GLN 65 HB2 GLN 65 7.194 -3.418 0.356 570 HB3 GLN 65 HB1 GLN 65 7.449 -2.803 -1.271 571 HG2 GLN 65 HG2 GLN 65 9.587 -1.853 -0.629 572 HG3 GLN 65 HG1 GLN 65 9.325 -2.317 1.045 573 HE21 GLN 65 HE21 GLN 65 8.238 -4.832 0.409 574 HE22 GLN 65 HE22 GLN 65 9.528 -5.862 -0.127 575 H VAL 66 HN VAL 66 8.639 0.176 1.071 576 HA VAL 66 HA VAL 66 8.510 2.104 -1.110 577 HB VAL 66 HB VAL 66 10.023 2.219 1.520 578 HG11 VAL 66 HG11 VAL 66 9.557 4.364 -0.556 579 HG12 VAL 66 HG12 VAL 66 11.106 3.603 -0.171 580 HG13 VAL 66 HG13 VAL 66 10.286 4.608 1.030 581 HG21 VAL 66 HG21 VAL 66 8.332 3.788 2.229 582 HG22 VAL 66 HG22 VAL 66 7.599 2.240 1.793 583 HG23 VAL 66 HG23 VAL 66 7.497 3.612 0.687 584 H ILE 67 HN ILE 67 9.668 1.409 -2.767 585 HA ILE 67 HA ILE 67 12.195 0.071 -2.276 586 HB ILE 67 HB ILE 67 10.872 0.702 -4.927 587 HG12 ILE 67 HG12 ILE 67 10.740 -1.852 -3.281 588 HG13 ILE 67 HG11 ILE 67 9.409 -0.731 -3.535 589 HG21 ILE 67 HG21 ILE 67 13.283 0.222 -5.049 590 HG22 ILE 67 HG22 ILE 67 12.361 -1.102 -5.765 591 HG23 ILE 67 HG23 ILE 67 13.040 -1.276 -4.151 592 HD11 ILE 67 HD11 ILE 67 10.765 -2.384 -5.660 593 HD12 ILE 67 HD12 ILE 67 9.419 -1.275 -5.925 594 HD13 ILE 67 HD13 ILE 67 9.197 -2.712 -4.928 595 H ASP 68 HN ASP 68 13.706 1.493 -1.782 596 HA ASP 68 HA ASP 68 13.743 4.184 -2.725 597 HB2 ASP 68 HB2 ASP 68 14.581 3.698 -0.523 598 HB3 ASP 68 HB1 ASP 68 15.752 2.559 -1.169 599 H GLU 69 HN GLU 69 15.492 1.270 -3.547 600 HA GLU 69 HA GLU 69 17.436 2.477 -5.203 601 HB2 GLU 69 HB2 GLU 69 17.867 0.195 -6.045 602 HB3 GLU 69 HB1 GLU 69 17.811 0.273 -4.290 603 HG2 GLU 69 HG2 GLU 69 15.645 -0.702 -4.243 604 HG3 GLU 69 HG1 GLU 69 15.497 -0.578 -5.994 605 H LYS 70 HN LYS 70 14.153 1.659 -5.826 606 HA LYS 70 HA LYS 70 14.594 2.170 -8.690 607 HB2 LYS 70 HB2 LYS 70 12.334 0.674 -7.367 608 HB3 LYS 70 HB1 LYS 70 12.370 1.087 -9.073 609 HG2 LYS 70 HG2 LYS 70 14.432 -0.260 -9.297 610 HG3 LYS 70 HG1 LYS 70 14.272 -0.718 -7.605 611 HD2 LYS 70 HD2 LYS 70 12.091 -1.734 -8.067 612 HD3 LYS 70 HD1 LYS 70 12.221 -1.252 -9.755 613 HE2 LYS 70 HE2 LYS 70 14.111 -3.125 -8.336 614 HE3 LYS 70 HE1 LYS 70 12.797 -3.632 -9.397 615 HZ1 LYS 70 HZ1 LYS 70 15.129 -1.972 -10.204 616 HZ2 LYS 70 HZ2 LYS 70 13.941 -2.521 -11.259 617 HZ3 LYS 70 HZ3 LYS 70 14.981 -3.596 -10.500 618 H VAL 71 HN VAL 71 13.549 3.547 -5.921 619 HA VAL 71 HA VAL 71 12.245 5.232 -5.265 620 HB VAL 71 HB VAL 71 12.397 6.317 -8.094 621 HG11 VAL 71 HG11 VAL 71 12.305 8.491 -7.006 622 HG12 VAL 71 HG12 VAL 71 12.300 7.683 -5.429 623 HG13 VAL 71 HG13 VAL 71 10.948 7.454 -6.528 624 HG21 VAL 71 HG21 VAL 71 14.627 5.646 -7.423 625 HG22 VAL 71 HG22 VAL 71 14.471 6.591 -5.930 626 HG23 VAL 71 HG23 VAL 71 14.476 7.404 -7.504 627 H VAL 72 HN VAL 72 10.586 3.397 -5.312 628 HA VAL 72 HA VAL 72 8.264 4.434 -6.644 629 HB VAL 72 HB VAL 72 9.251 2.994 -8.378 630 HG11 VAL 72 HG11 VAL 72 8.945 0.742 -6.425 631 HG12 VAL 72 HG12 VAL 72 10.454 1.428 -7.025 632 HG13 VAL 72 HG13 VAL 72 9.374 0.570 -8.129 633 HG21 VAL 72 HG21 VAL 72 6.824 3.193 -8.322 634 HG22 VAL 72 HG22 VAL 72 6.729 1.805 -7.236 635 HG23 VAL 72 HG23 VAL 72 7.324 1.598 -8.886 636 H VAL 73 HN VAL 73 6.429 4.022 -5.612 637 HA VAL 73 HA VAL 73 6.500 2.541 -3.125 638 HB VAL 73 HB VAL 73 4.355 4.291 -4.383 639 HG11 VAL 73 HG11 VAL 73 3.408 2.639 -2.845 640 HG12 VAL 73 HG12 VAL 73 3.273 4.273 -2.204 641 HG13 VAL 73 HG13 VAL 73 4.514 3.186 -1.582 642 HG21 VAL 73 HG21 VAL 73 6.303 4.905 -2.169 643 HG22 VAL 73 HG22 VAL 73 4.992 5.953 -2.718 644 HG23 VAL 73 HG23 VAL 73 6.324 5.565 -3.807 645 H PHE 74 HN PHE 74 6.262 0.442 -3.550 646 HA PHE 74 HA PHE 74 4.456 -0.358 -5.683 647 HB2 PHE 74 HB2 PHE 74 6.708 -1.240 -5.866 648 HB3 PHE 74 HB1 PHE 74 6.635 -1.874 -4.233 649 HD1 PHE 74 HD2 PHE 74 3.832 -2.212 -6.625 650 HD2 PHE 74 HD1 PHE 74 7.213 -4.084 -4.843 651 HE1 PHE 74 HE2 PHE 74 3.076 -4.378 -7.478 652 HE2 PHE 74 HE1 PHE 74 6.465 -6.255 -5.695 653 HZ PHE 74 HZ PHE 74 4.389 -6.405 -7.021 654 H VAL 75 HN VAL 75 2.502 -0.616 -5.055 655 HA VAL 75 HA VAL 75 1.810 -1.400 -2.382 656 HB VAL 75 HB VAL 75 0.018 -0.878 -4.757 657 HG11 VAL 75 HG11 VAL 75 -1.733 -0.568 -3.067 658 HG12 VAL 75 HG12 VAL 75 -0.582 -1.029 -1.809 659 HG13 VAL 75 HG13 VAL 75 -1.063 -2.199 -3.038 660 HG21 VAL 75 HG21 VAL 75 0.907 0.977 -2.542 661 HG22 VAL 75 HG22 VAL 75 -0.342 1.343 -3.730 662 HG23 VAL 75 HG23 VAL 75 1.325 1.098 -4.251 663 H ILE 76 HN ILE 76 1.506 -3.338 -1.787 664 HA ILE 76 HA ILE 76 1.597 -5.557 -3.663 665 HB ILE 76 HB ILE 76 1.693 -5.528 -0.642 666 HG12 ILE 76 HG12 ILE 76 3.535 -4.246 -1.743 667 HG13 ILE 76 HG11 ILE 76 4.121 -5.595 -0.796 668 HG21 ILE 76 HG21 ILE 76 2.730 -7.774 -0.918 669 HG22 ILE 76 HG22 ILE 76 2.355 -7.692 -2.639 670 HG23 ILE 76 HG23 ILE 76 1.053 -7.697 -1.449 671 HD11 ILE 76 HD11 ILE 76 4.353 -6.883 -2.886 672 HD12 ILE 76 HD12 ILE 76 5.329 -5.414 -2.856 673 HD13 ILE 76 HD13 ILE 76 3.834 -5.458 -3.788 674 H SER 77 HN SER 77 -0.425 -4.424 -0.913 675 HA SER 77 HA SER 77 -2.621 -6.055 -1.960 676 HB2 SER 77 HB2 SER 77 -1.734 -6.039 0.932 677 HB3 SER 77 HB1 SER 77 -3.072 -6.965 0.252 678 HG SER 77 HG SER 77 -0.922 -7.452 -1.187 679 H VAL 78 HN VAL 78 -4.687 -5.270 -1.438 680 HA VAL 78 HA VAL 78 -4.924 -2.781 0.069 681 HB VAL 78 HB VAL 78 -6.134 -3.132 -2.703 682 HG11 VAL 78 HG11 VAL 78 -7.447 -1.767 -1.222 683 HG12 VAL 78 HG12 VAL 78 -6.752 -0.791 -2.522 684 HG13 VAL 78 HG13 VAL 78 -6.055 -0.734 -0.902 685 HG21 VAL 78 HG21 VAL 78 -3.816 -1.360 -1.945 686 HG22 VAL 78 HG22 VAL 78 -4.621 -1.389 -3.515 687 HG23 VAL 78 HG23 VAL 78 -3.725 -2.802 -2.953 688 H GLY 79 HN GLY 79 -6.674 -3.082 1.416 689 HA2 GLY 79 HA2 GLY 79 -9.208 -3.471 0.958 690 HA3 GLY 79 HA1 GLY 79 -8.644 -5.117 0.689 691 H LYS 80 HN LYS 80 -10.161 -5.505 2.557 692 HA LYS 80 HA LYS 80 -8.842 -4.840 5.068 693 HB2 LYS 80 HB2 LYS 80 -11.539 -6.157 4.626 694 HB3 LYS 80 HB1 LYS 80 -10.837 -5.766 6.189 695 HG2 LYS 80 HG2 LYS 80 -10.829 -3.366 5.485 696 HG3 LYS 80 HG1 LYS 80 -11.746 -3.849 4.060 697 HD2 LYS 80 HD2 LYS 80 -13.247 -3.003 5.753 698 HD3 LYS 80 HD1 LYS 80 -13.513 -4.739 5.564 699 HE2 LYS 80 HE2 LYS 80 -12.276 -5.206 7.580 700 HE3 LYS 80 HE1 LYS 80 -11.758 -3.526 7.705 701 HZ1 LYS 80 HZ1 LYS 80 -14.060 -2.901 8.106 702 HZ2 LYS 80 HZ2 LYS 80 -13.562 -4.032 9.226 703 HZ3 LYS 80 HZ3 LYS 80 -14.551 -4.500 7.949 704 H ALA 81 HN ALA 81 -7.179 -6.150 5.205 705 HA ALA 81 HA ALA 81 -7.666 -8.990 4.786 706 HB1 ALA 81 HB1 ALA 81 -5.291 -9.282 4.843 707 HB2 ALA 81 HB2 ALA 81 -5.058 -7.559 5.136 708 HB3 ALA 81 HB3 ALA 81 -5.730 -8.114 3.581 709 H GLU 82 HN GLU 82 -8.878 -8.958 6.662 710 HA GLU 82 HA GLU 82 -9.304 -9.495 8.742 711 HB2 GLU 82 HB2 GLU 82 -7.973 -11.402 8.289 712 HB3 GLU 82 HB1 GLU 82 -6.488 -10.529 8.627 713 HG2 GLU 82 HG2 GLU 82 -7.178 -12.094 10.378 714 HG3 GLU 82 HG1 GLU 82 -6.976 -10.418 10.901 715 H ALA 83 HN ALA 83 -9.842 -7.775 9.748 716 HA ALA 83 HA ALA 83 -7.941 -6.765 11.724 717 HB1 ALA 83 HB1 ALA 83 -9.754 -5.045 10.020 718 HB2 ALA 83 HB2 ALA 83 -7.991 -5.101 9.927 719 HB3 ALA 83 HB3 ALA 83 -8.780 -4.475 11.378 720 H SER 84 HN SER 84 -10.223 -8.679 11.582 721 HA SER 84 HA SER 84 -12.343 -7.244 12.993 722 HB2 SER 84 HB2 SER 84 -12.956 -8.381 10.878 723 HB3 SER 84 HB1 SER 84 -12.433 -9.911 11.567 724 HG SER 84 HG SER 84 -14.172 -10.006 12.766 725 H GLU 85 HN GLU 85 -10.106 -9.982 13.251 726 HA GLU 85 HA GLU 85 -11.071 -10.260 16.031 727 HB2 GLU 85 HB2 GLU 85 -10.662 -12.667 15.957 728 HB3 GLU 85 HB1 GLU 85 -11.830 -12.181 14.739 729 HG2 GLU 85 HG2 GLU 85 -10.075 -12.297 13.029 730 HG3 GLU 85 HG1 GLU 85 -8.928 -12.796 14.269 731 H VAL 86 HN VAL 86 -8.627 -9.131 14.399 732 HA VAL 86 HA VAL 86 -6.307 -10.402 15.299 733 HB VAL 86 HB VAL 86 -6.726 -7.490 14.545 734 HG11 VAL 86 HG11 VAL 86 -4.149 -8.959 15.003 735 HG12 VAL 86 HG12 VAL 86 -4.800 -7.677 16.023 736 HG13 VAL 86 HG13 VAL 86 -4.305 -7.329 14.363 737 HG21 VAL 86 HG21 VAL 86 -7.053 -9.135 12.734 738 HG22 VAL 86 HG22 VAL 86 -5.430 -9.772 13.030 739 HG23 VAL 86 HG23 VAL 86 -5.636 -8.129 12.464 740 H TYR 87 HN TYR 87 -8.284 -8.028 16.918 741 HA TYR 87 HA TYR 87 -6.452 -7.456 18.984 742 HB2 TYR 87 HB2 TYR 87 -8.286 -6.365 20.180 743 HB3 TYR 87 HB1 TYR 87 -8.238 -5.888 18.494 744 HD1 TYR 87 HD1 TYR 87 -9.910 -7.123 16.917 745 HD2 TYR 87 HD2 TYR 87 -10.296 -7.049 21.148 746 HE1 TYR 87 HE1 TYR 87 -12.291 -7.588 16.696 747 HE2 TYR 87 HE2 TYR 87 -12.698 -7.532 20.930 748 HH TYR 87 HH TYR 87 -14.107 -8.597 18.073 749 H SER 88 HN SER 88 -8.050 -10.321 18.471 750 HA SER 88 HA SER 88 -8.328 -11.005 21.244 751 HB2 SER 88 HB2 SER 88 -9.778 -11.984 19.412 752 HB3 SER 88 HB1 SER 88 -8.355 -12.836 18.824 753 HG SER 88 HG SER 88 -8.398 -14.139 20.489 754 H GLU 89 HN GLU 89 -5.951 -11.324 18.659 755 HA GLU 89 HA GLU 89 -4.260 -12.977 20.292 756 HB2 GLU 89 HB2 GLU 89 -4.006 -11.898 17.524 757 HB3 GLU 89 HB1 GLU 89 -2.564 -12.448 18.371 758 HG2 GLU 89 HG2 GLU 89 -5.035 -14.093 17.884 759 HG3 GLU 89 HG1 GLU 89 -3.522 -14.210 16.981 760 H ALA 90 HN ALA 90 -4.594 -9.641 19.534 761 HA ALA 90 HA ALA 90 -2.203 -8.868 20.905 762 HB1 ALA 90 HB1 ALA 90 -3.269 -7.333 19.273 763 HB2 ALA 90 HB2 ALA 90 -3.177 -6.591 20.870 764 HB3 ALA 90 HB3 ALA 90 -4.705 -7.255 20.299 765 H VAL 91 HN VAL 91 -2.328 -10.103 22.706 766 HA VAL 91 HA VAL 91 -4.643 -10.175 24.268 767 HB VAL 91 HB VAL 91 -3.392 -11.536 25.874 768 HG11 VAL 91 HG11 VAL 91 -3.311 -12.381 22.973 769 HG12 VAL 91 HG12 VAL 91 -4.678 -12.551 24.074 770 HG13 VAL 91 HG13 VAL 91 -3.206 -13.483 24.345 771 HG21 VAL 91 HG21 VAL 91 -1.194 -12.421 25.195 772 HG22 VAL 91 HG22 VAL 91 -1.145 -10.685 25.511 773 HG23 VAL 91 HG23 VAL 91 -1.158 -11.278 23.852 774 H LYS 92 HN LYS 92 -5.329 -8.966 25.593 775 HA LYS 92 HA LYS 92 -3.551 -7.676 27.519 776 HB2 LYS 92 HB2 LYS 92 -5.476 -5.997 27.788 777 HB3 LYS 92 HB1 LYS 92 -4.551 -5.895 26.302 778 HG2 LYS 92 HG2 LYS 92 -6.816 -5.642 25.653 779 HG3 LYS 92 HG1 LYS 92 -6.334 -7.287 25.235 780 HD2 LYS 92 HD2 LYS 92 -7.429 -8.113 27.282 781 HD3 LYS 92 HD1 LYS 92 -7.962 -6.475 27.648 782 HE2 LYS 92 HE2 LYS 92 -8.682 -8.050 25.187 783 HE3 LYS 92 HE1 LYS 92 -9.724 -7.822 26.588 784 HZ1 LYS 92 HZ1 LYS 92 -10.279 -6.315 24.797 785 HZ2 LYS 92 HZ2 LYS 92 -8.738 -5.647 24.800 786 HZ3 LYS 92 HZ3 LYS 92 -9.737 -5.463 26.139 787 H ARG 93 HN ARG 93 -5.683 -10.064 26.938 788 HA ARG 93 HA ARG 93 -7.242 -10.140 29.330 789 HB2 ARG 93 HB2 ARG 93 -6.488 -12.372 27.424 790 HB3 ARG 93 HB1 ARG 93 -7.768 -12.458 28.626 791 HG2 ARG 93 HG2 ARG 93 -9.013 -10.733 27.455 792 HG3 ARG 93 HG1 ARG 93 -7.702 -10.549 26.298 793 HD2 ARG 93 HD2 ARG 93 -9.438 -12.997 26.687 794 HD3 ARG 93 HD1 ARG 93 -9.497 -11.872 25.338 795 HE ARG 93 HE ARG 93 -6.975 -13.234 25.794 796 HH11 ARG 93 HH11 ARG 93 -9.955 -13.113 23.910 797 HH12 ARG 93 HH12 ARG 93 -9.384 -14.084 22.648 798 HH21 ARG 93 HH21 ARG 93 -6.183 -14.629 24.095 799 HH22 ARG 93 HH22 ARG 93 -7.172 -14.972 22.753 800 H ILE 94 HN ILE 94 -4.275 -11.632 28.191 801 HA ILE 94 HA ILE 94 -3.492 -12.027 30.965 802 HB ILE 94 HB ILE 94 -2.005 -13.856 30.214 803 HG12 ILE 94 HG12 ILE 94 -3.326 -13.508 27.500 804 HG13 ILE 94 HG11 ILE 94 -1.659 -13.136 27.894 805 HG21 ILE 94 HG21 ILE 94 -4.173 -14.483 31.067 806 HG22 ILE 94 HG22 ILE 94 -3.702 -15.590 29.778 807 HG23 ILE 94 HG23 ILE 94 -4.885 -14.321 29.462 808 HD11 ILE 94 HD11 ILE 94 -2.898 -15.880 27.943 809 HD12 ILE 94 HD12 ILE 94 -1.218 -15.495 28.315 810 HD13 ILE 94 HD13 ILE 94 -1.842 -15.234 26.687 811 H LEU 95 HN LEU 95 -1.122 -11.693 31.188 812 HA LEU 95 HA LEU 95 -0.232 -9.734 29.210 813 HB2 LEU 95 HB2 LEU 95 0.131 -9.593 32.202 814 HB3 LEU 95 HB1 LEU 95 0.819 -8.474 31.048 815 HG LEU 95 HG LEU 95 -2.123 -8.829 31.630 816 HD11 LEU 95 HD11 LEU 95 -1.949 -6.591 32.586 817 HD12 LEU 95 HD12 LEU 95 -0.212 -6.602 32.288 818 HD13 LEU 95 HD13 LEU 95 -0.916 -7.745 33.432 819 HD21 LEU 95 HD21 LEU 95 -0.720 -6.870 29.806 820 HD22 LEU 95 HD22 LEU 95 -2.436 -6.855 30.203 821 HD23 LEU 95 HD23 LEU 95 -1.758 -8.199 29.291 822 H LYS 47 H LYS 47 3.006 -4.581 22.758 823 HA LYS 47 HA LYS 47 3.335 -2.970 25.197 824 HB2 LYS 47 HB2 LYS 47 5.025 -3.175 22.696 825 HB3 LYS 47 HB1 LYS 47 5.273 -1.992 23.956 826 HG2 LYS 47 HG2 LYS 47 5.703 -3.883 25.538 827 HG3 LYS 47 HG1 LYS 47 5.625 -4.974 24.153 828 HD2 LYS 47 HD2 LYS 47 7.529 -2.641 24.404 829 HD3 LYS 47 HD1 LYS 47 7.943 -4.311 24.773 830 HE2 LYS 47 HE2 LYS 47 7.023 -3.299 22.071 831 HE3 LYS 47 HE1 LYS 47 8.696 -3.585 22.527 832 HZ1 LYS 47 HZ1 LYS 47 6.586 -5.698 22.418 833 HZ2 LYS 47 HZ2 LYS 47 8.189 -5.900 22.855 834 HZ3 LYS 47 HZ3 LYS 47 7.818 -5.433 21.291 835 H GLN 48 HN GLN 48 3.123 -0.671 24.759 836 HA GLN 48 HA GLN 48 1.143 -0.170 22.756 837 HB2 GLN 48 HB2 GLN 48 1.205 2.218 23.609 838 HB3 GLN 48 HB1 GLN 48 0.718 1.002 24.776 839 HG2 GLN 48 HG2 GLN 48 2.905 1.058 25.790 840 HG3 GLN 48 HG1 GLN 48 3.467 2.214 24.578 841 HE21 GLN 48 HE21 GLN 48 2.749 4.322 24.685 842 HE22 GLN 48 HE22 GLN 48 1.997 4.972 26.089 843 H THR 49 HN THR 49 2.468 -0.839 21.120 844 HA THR 49 HA THR 49 4.322 1.156 20.062 845 HB THR 49 HB THR 49 4.901 -0.788 18.531 846 HG1 THR 49 HG1 THR 49 2.979 -2.036 19.037 847 HG21 THR 49 HG21 THR 49 6.315 -1.894 20.226 848 HG22 THR 49 HG22 THR 49 5.368 -1.123 21.501 849 HG23 THR 49 HG23 THR 49 6.342 -0.141 20.407 850 H LEU 50 HN LEU 50 3.960 1.881 17.900 851 HA LEU 50 HA LEU 50 1.243 1.647 17.116 852 HB2 LEU 50 HB2 LEU 50 3.499 3.351 16.158 853 HB3 LEU 50 HB1 LEU 50 2.003 3.240 15.259 854 HG LEU 50 HG LEU 50 0.829 3.916 17.415 855 HD11 LEU 50 HD11 LEU 50 2.091 5.198 19.044 856 HD12 LEU 50 HD12 LEU 50 3.592 4.751 18.226 857 HD13 LEU 50 HD13 LEU 50 2.592 3.507 18.976 858 HD21 LEU 50 HD21 LEU 50 2.642 5.866 16.054 859 HD22 LEU 50 HD22 LEU 50 1.222 6.278 17.039 860 HD23 LEU 50 HD23 LEU 50 1.035 5.339 15.547 861 H LEU 51 HN LEU 51 1.888 -0.639 16.972 862 HA LEU 51 HA LEU 51 1.507 -1.558 14.394 863 HB2 LEU 51 HB2 LEU 51 3.522 -3.092 14.339 864 HB3 LEU 51 HB1 LEU 51 3.923 -1.410 14.106 865 HG LEU 51 HG LEU 51 4.500 -1.427 16.617 866 HD11 LEU 51 HD11 LEU 51 4.684 -4.384 16.072 867 HD12 LEU 51 HD12 LEU 51 3.577 -3.599 17.195 868 HD13 LEU 51 HD13 LEU 51 5.315 -3.565 17.499 869 HD21 LEU 51 HD21 LEU 51 6.791 -2.183 16.140 870 HD22 LEU 51 HD22 LEU 51 6.158 -1.147 14.862 871 HD23 LEU 51 HD23 LEU 51 6.230 -2.891 14.629 872 H SER 52 HN SER 52 0.939 -3.925 14.627 873 HA SER 52 HA SER 52 0.526 -4.734 17.378 874 HB2 SER 52 HB2 SER 52 -1.360 -3.186 16.935 875 HB3 SER 52 HB1 SER 52 -1.770 -4.084 15.483 876 HG SER 52 HG SER 52 -3.110 -4.680 17.165 877 H ASP 53 HN ASP 53 -1.358 -6.709 16.788 878 HA ASP 53 HA ASP 53 0.267 -8.517 15.244 879 HB2 ASP 53 HB2 ASP 53 -2.189 -8.928 16.927 880 HB3 ASP 53 HB1 ASP 53 -1.492 -10.200 15.932 881 H GLU 54 HN GLU 54 -1.945 -6.318 14.428 882 HA GLU 54 HA GLU 54 -3.178 -7.795 12.330 883 HB2 GLU 54 HB2 GLU 54 -3.818 -5.602 11.368 884 HB3 GLU 54 HB1 GLU 54 -4.204 -5.669 13.072 885 HG2 GLU 54 HG2 GLU 54 -2.141 -4.343 13.521 886 HG3 GLU 54 HG1 GLU 54 -1.907 -4.207 11.782 887 H ASP 55 HN ASP 55 -0.244 -6.099 12.847 888 HA ASP 55 HA ASP 55 0.874 -6.025 10.296 889 HB2 ASP 55 HB2 ASP 55 2.117 -6.353 13.021 890 HB3 ASP 55 HB1 ASP 55 3.054 -6.156 11.547 891 H ALA 56 HN ALA 56 0.483 -8.529 12.625 892 HA ALA 56 HA ALA 56 2.342 -10.402 11.605 893 HB1 ALA 56 HB1 ALA 56 1.372 -10.575 13.843 894 HB2 ALA 56 HB2 ALA 56 1.160 -12.068 12.924 895 HB3 ALA 56 HB3 ALA 56 -0.196 -10.953 13.133 896 H GLU 57 HN GLU 57 -0.939 -9.599 10.713 897 HA GLU 57 HA GLU 57 -1.375 -11.882 9.109 898 HB2 GLU 57 HB2 GLU 57 -2.730 -9.402 9.792 899 HB3 GLU 57 HB1 GLU 57 -3.092 -9.970 8.157 900 HG2 GLU 57 HG2 GLU 57 -3.410 -11.528 10.712 901 HG3 GLU 57 HG1 GLU 57 -4.717 -10.749 9.818 902 H LEU 58 HN LEU 58 -0.453 -8.585 8.684 903 HA LEU 58 HA LEU 58 -0.471 -8.480 5.887 904 HB2 LEU 58 HB2 LEU 58 0.656 -6.735 8.003 905 HB3 LEU 58 HB1 LEU 58 1.034 -6.421 6.328 906 HG LEU 58 HG LEU 58 -1.307 -6.024 5.827 907 HD11 LEU 58 HD11 LEU 58 -1.877 -6.640 8.701 908 HD12 LEU 58 HD12 LEU 58 -2.356 -7.610 7.311 909 HD13 LEU 58 HD13 LEU 58 -3.029 -5.996 7.533 910 HD21 LEU 58 HD21 LEU 58 -1.662 -4.023 7.179 911 HD22 LEU 58 HD22 LEU 58 0.012 -4.173 6.644 912 HD23 LEU 58 HD23 LEU 58 -0.424 -4.578 8.302 913 H VAL 59 HN VAL 59 2.139 -9.226 8.127 914 HA VAL 59 HA VAL 59 4.191 -8.972 6.183 915 HB VAL 59 HB VAL 59 5.735 -10.016 7.722 916 HG11 VAL 59 HG11 VAL 59 5.518 -8.684 9.676 917 HG12 VAL 59 HG12 VAL 59 3.872 -8.257 9.201 918 HG13 VAL 59 HG13 VAL 59 5.239 -7.798 8.181 919 HG21 VAL 59 HG21 VAL 59 3.339 -10.880 9.353 920 HG22 VAL 59 HG22 VAL 59 5.030 -11.064 9.830 921 HG23 VAL 59 HG23 VAL 59 4.409 -11.933 8.425 922 H GLU 60 HN GLU 60 2.073 -11.633 6.953 923 HA GLU 60 HA GLU 60 3.691 -13.394 5.371 924 HB2 GLU 60 HB2 GLU 60 1.942 -15.118 5.868 925 HB3 GLU 60 HB1 GLU 60 2.747 -14.445 7.268 926 HG2 GLU 60 HG2 GLU 60 0.824 -13.031 7.711 927 HG3 GLU 60 HG1 GLU 60 0.015 -13.674 6.282 928 H ILE 61 HN ILE 61 1.023 -11.343 4.878 929 HA ILE 61 HA ILE 61 0.142 -12.651 2.464 930 HB ILE 61 HB ILE 61 -0.492 -9.864 3.495 931 HG12 ILE 61 HG12 ILE 61 -2.130 -12.400 3.632 932 HG13 ILE 61 HG11 ILE 61 -1.198 -11.743 4.971 933 HG21 ILE 61 HG21 ILE 61 -0.859 -10.048 1.076 934 HG22 ILE 61 HG22 ILE 61 -2.402 -9.955 1.938 935 HG23 ILE 61 HG23 ILE 61 -1.821 -11.509 1.339 936 HD11 ILE 61 HD11 ILE 61 -2.585 -9.719 4.905 937 HD12 ILE 61 HD12 ILE 61 -3.518 -11.179 5.211 938 HD13 ILE 61 HD13 ILE 61 -3.543 -10.440 3.606 939 H VAL 62 HN VAL 62 2.104 -9.838 3.289 940 HA VAL 62 HA VAL 62 2.484 -8.967 0.672 941 HB VAL 62 HB VAL 62 2.963 -7.405 2.491 942 HG11 VAL 62 HG11 VAL 62 3.817 -8.945 4.152 943 HG12 VAL 62 HG12 VAL 62 4.916 -7.581 3.929 944 HG13 VAL 62 HG13 VAL 62 5.300 -9.153 3.221 945 HG21 VAL 62 HG21 VAL 62 4.123 -7.047 0.399 946 HG22 VAL 62 HG22 VAL 62 5.495 -7.997 0.971 947 HG23 VAL 62 HG23 VAL 62 5.085 -6.470 1.760 948 H LYS 63 HN LYS 63 4.487 -11.070 2.677 949 HA LYS 63 HA LYS 63 6.564 -11.447 0.808 950 HB2 LYS 63 HB2 LYS 63 7.254 -13.317 2.178 951 HB3 LYS 63 HB1 LYS 63 6.772 -11.973 3.206 952 HG2 LYS 63 HG2 LYS 63 4.601 -13.051 3.552 953 HG3 LYS 63 HG1 LYS 63 5.147 -14.437 2.615 954 HD2 LYS 63 HD2 LYS 63 6.334 -13.422 5.210 955 HD3 LYS 63 HD1 LYS 63 5.376 -14.876 5.006 956 HE2 LYS 63 HE2 LYS 63 7.132 -15.718 3.416 957 HE3 LYS 63 HE1 LYS 63 8.099 -14.322 3.851 958 HZ1 LYS 63 HZ1 LYS 63 8.778 -16.201 5.132 959 HZ2 LYS 63 HZ2 LYS 63 7.243 -16.466 5.733 960 HZ3 LYS 63 HZ3 LYS 63 8.097 -15.065 6.155 961 H GLU 64 HN GLU 64 3.425 -12.818 1.072 962 HA GLU 64 HA GLU 64 3.861 -15.134 -0.491 963 HB2 GLU 64 HB2 GLU 64 1.966 -14.993 1.000 964 HB3 GLU 64 HB1 GLU 64 1.369 -13.573 0.156 965 HG2 GLU 64 HG2 GLU 64 0.064 -15.370 -0.547 966 HG3 GLU 64 HG1 GLU 64 1.136 -14.939 -1.851 967 H ARG 65 HN ARG 65 2.266 -12.037 -1.207 968 HA ARG 65 HA ARG 65 2.112 -12.599 -3.993 969 HB2 ARG 65 HB2 ARG 65 1.893 -9.985 -2.507 970 HB3 ARG 65 HB1 ARG 65 1.615 -10.140 -4.241 971 HG2 ARG 65 HG2 ARG 65 -0.225 -11.720 -3.736 972 HG3 ARG 65 HG1 ARG 65 0.041 -11.425 -2.019 973 HD2 ARG 65 HD2 ARG 65 -0.457 -9.055 -2.338 974 HD3 ARG 65 HD1 ARG 65 -0.692 -9.325 -4.068 975 HE ARG 65 HE ARG 65 -2.331 -11.025 -2.524 976 HH11 ARG 65 HH11 ARG 65 -2.180 -7.660 -3.641 977 HH12 ARG 65 HH12 ARG 65 -3.876 -7.436 -3.562 978 HH21 ARG 65 HH21 ARG 65 -4.580 -10.718 -2.443 979 HH22 ARG 65 HH22 ARG 65 -5.317 -9.234 -2.852 980 H LEU 66 HN LEU 66 4.534 -11.425 -1.960 981 HA LEU 66 HA LEU 66 6.026 -9.985 -3.946 982 HB2 LEU 66 HB2 LEU 66 6.000 -9.582 -1.449 983 HB3 LEU 66 HB1 LEU 66 7.004 -10.997 -1.306 984 HG LEU 66 HG LEU 66 8.796 -9.915 -2.544 985 HD11 LEU 66 HD11 LEU 66 7.455 -8.533 -4.028 986 HD12 LEU 66 HD12 LEU 66 8.578 -7.509 -3.121 987 HD13 LEU 66 HD13 LEU 66 6.871 -7.602 -2.656 988 HD21 LEU 66 HD21 LEU 66 7.652 -8.207 -0.361 989 HD22 LEU 66 HD22 LEU 66 9.338 -8.210 -0.886 990 HD23 LEU 66 HD23 LEU 66 8.639 -9.646 -0.116 991 H ARG 67 HN ARG 67 5.588 -13.250 -3.457 992 HA ARG 67 HA ARG 67 8.256 -14.214 -3.879 993 HB2 ARG 67 HB2 ARG 67 7.291 -16.390 -4.100 994 HB3 ARG 67 HB1 ARG 67 6.328 -15.553 -2.892 995 HG2 ARG 67 HG2 ARG 67 4.704 -15.045 -4.774 996 HG3 ARG 67 HG1 ARG 67 5.617 -16.205 -5.736 997 HD2 ARG 67 HD2 ARG 67 4.208 -16.744 -3.126 998 HD3 ARG 67 HD1 ARG 67 3.684 -17.252 -4.724 999 HE ARG 67 HE ARG 67 6.192 -18.306 -4.372 1000 HH11 ARG 67 HH11 ARG 67 3.114 -18.500 -2.593 1001 HH12 ARG 67 HH12 ARG 67 3.286 -20.143 -2.199 1002 HH21 ARG 67 HH21 ARG 67 6.465 -20.536 -3.748 1003 HH22 ARG 67 HH22 ARG 67 5.272 -21.324 -2.834 1004 H ASN 68 HN ASN 68 5.694 -13.088 -5.886 1005 HA ASN 68 HA ASN 68 7.108 -12.728 -8.203 1006 HB2 ASN 68 HB2 ASN 68 6.996 -15.258 -8.296 1007 HB3 ASN 68 HB1 ASN 68 5.240 -15.130 -8.272 1008 HD21 ASN 68 HD21 ASN 68 8.117 -14.638 -10.093 1009 HD22 ASN 68 HD22 ASN 68 7.345 -14.407 -11.600 1010 HA PRO 69 HA PRO 69 3.072 -10.706 -7.478 1011 HB2 PRO 69 HB2 PRO 69 4.152 -8.163 -7.912 1012 HB3 PRO 69 HB1 PRO 69 3.842 -8.928 -6.352 1013 HG2 PRO 69 HG2 PRO 69 6.369 -8.291 -7.435 1014 HG3 PRO 69 HG1 PRO 69 6.060 -9.320 -6.030 1015 HD2 PRO 69 HD2 PRO 69 6.679 -10.074 -8.838 1016 HD3 PRO 69 HD1 PRO 69 7.050 -10.920 -7.319 1017 H LYS 70 HN LYS 70 5.229 -9.262 -9.960 1018 HA LYS 70 HA LYS 70 4.931 -8.396 -11.949 1019 HB2 LYS 70 HB2 LYS 70 2.353 -9.941 -11.951 1020 HB3 LYS 70 HB1 LYS 70 2.664 -8.762 -13.210 1021 HG2 LYS 70 HG2 LYS 70 3.220 -10.939 -14.020 1022 HG3 LYS 70 HG1 LYS 70 4.703 -10.017 -13.806 1023 HD2 LYS 70 HD2 LYS 70 5.161 -11.188 -11.746 1024 HD3 LYS 70 HD1 LYS 70 3.633 -12.059 -11.863 1025 HE2 LYS 70 HE2 LYS 70 5.933 -12.206 -13.802 1026 HE3 LYS 70 HE1 LYS 70 5.471 -13.448 -12.642 1027 HZ1 LYS 70 HZ1 LYS 70 3.348 -13.683 -13.836 1028 HZ2 LYS 70 HZ2 LYS 70 4.664 -13.963 -14.852 1029 HZ3 LYS 70 HZ3 LYS 70 3.840 -12.522 -14.955 1030 HA PRO 71 HA PRO 71 2.860 -4.809 -10.271 1031 HB2 PRO 71 HB2 PRO 71 4.955 -3.216 -10.281 1032 HB3 PRO 71 HB1 PRO 71 4.824 -4.510 -9.087 1033 HG2 PRO 71 HG2 PRO 71 6.447 -4.373 -11.577 1034 HG3 PRO 71 HG1 PRO 71 6.878 -4.979 -9.963 1035 HD2 PRO 71 HD2 PRO 71 6.033 -6.559 -12.114 1036 HD3 PRO 71 HD1 PRO 71 6.004 -7.049 -10.409 1037 H VAL 72 HN VAL 72 2.268 -2.855 -11.232 1038 HA VAL 72 HA VAL 72 2.920 -2.426 -14.067 1039 HB VAL 72 HB VAL 72 0.171 -2.076 -12.814 1040 HG11 VAL 72 HG11 VAL 72 -0.609 -1.701 -15.110 1041 HG12 VAL 72 HG12 VAL 72 1.058 -1.804 -15.682 1042 HG13 VAL 72 HG13 VAL 72 0.575 -0.496 -14.601 1043 HG21 VAL 72 HG21 VAL 72 -0.556 -3.967 -14.234 1044 HG22 VAL 72 HG22 VAL 72 0.643 -4.455 -13.038 1045 HG23 VAL 72 HG23 VAL 72 1.120 -4.217 -14.721 1046 H ARG 73 HN ARG 73 3.873 -0.438 -14.231 1047 HA ARG 73 HA ARG 73 3.973 1.481 -12.203 1048 HB2 ARG 73 HB2 ARG 73 4.443 1.694 -15.167 1049 HB3 ARG 73 HB1 ARG 73 4.715 3.015 -14.057 1050 HG2 ARG 73 HG2 ARG 73 6.152 0.367 -14.040 1051 HG3 ARG 73 HG1 ARG 73 6.777 1.877 -14.690 1052 HD2 ARG 73 HD2 ARG 73 6.412 2.831 -12.343 1053 HD3 ARG 73 HD1 ARG 73 6.263 1.157 -11.810 1054 HE ARG 73 HE ARG 73 8.602 2.365 -13.101 1055 HH11 ARG 73 HH11 ARG 73 7.269 -0.167 -10.981 1056 HH12 ARG 73 HH12 ARG 73 8.788 -0.799 -10.581 1057 HH21 ARG 73 HH21 ARG 73 10.674 1.462 -12.541 1058 HH22 ARG 73 HH22 ARG 73 10.767 0.114 -11.499 1059 H VAL 74 HN VAL 74 2.566 2.960 -11.592 1060 HA VAL 74 HA VAL 74 0.626 3.990 -13.490 1061 HB VAL 74 HB VAL 74 -1.200 3.871 -11.781 1062 HG11 VAL 74 HG11 VAL 74 -1.743 1.496 -12.025 1063 HG12 VAL 74 HG12 VAL 74 -0.099 1.190 -12.587 1064 HG13 VAL 74 HG13 VAL 74 -1.182 2.218 -13.532 1065 HG21 VAL 74 HG21 VAL 74 0.716 2.085 -10.299 1066 HG22 VAL 74 HG22 VAL 74 -0.995 2.314 -9.916 1067 HG23 VAL 74 HG23 VAL 74 0.126 3.670 -9.790 1068 H THR 75 HN THR 75 -0.641 5.748 -12.279 1069 HA THR 75 HA THR 75 1.038 7.272 -10.472 1070 HB THR 75 HB THR 75 0.285 9.353 -11.739 1071 HG1 THR 75 HG1 THR 75 -0.308 7.463 -13.800 1072 HG21 THR 75 HG21 THR 75 2.582 8.524 -11.958 1073 HG22 THR 75 HG22 THR 75 2.014 9.179 -13.492 1074 HG23 THR 75 HG23 THR 75 2.070 7.434 -13.247 1075 H LEU 76 HN LEU 76 -0.384 8.985 -9.367 1076 HA LEU 76 HA LEU 76 -2.791 7.719 -8.477 1077 HB2 LEU 76 HB2 LEU 76 -1.657 10.453 -7.996 1078 HB3 LEU 76 HB1 LEU 76 -3.103 9.850 -7.201 1079 HG LEU 76 HG LEU 76 -0.394 8.605 -7.006 1080 HD11 LEU 76 HD11 LEU 76 -0.352 9.588 -4.736 1081 HD12 LEU 76 HD12 LEU 76 -1.874 10.410 -5.077 1082 HD13 LEU 76 HD13 LEU 76 -0.416 10.835 -5.978 1083 HD21 LEU 76 HD21 LEU 76 -1.378 7.429 -5.085 1084 HD22 LEU 76 HD22 LEU 76 -2.136 7.031 -6.612 1085 HD23 LEU 76 HD23 LEU 76 -2.953 8.127 -5.484 1086 H ASP 77 HN ASP 77 -1.928 10.199 -10.660 1087 HA ASP 77 HA ASP 77 -4.360 11.422 -11.134 1088 HB2 ASP 77 HB2 ASP 77 -2.328 12.387 -11.925 1089 HB3 ASP 77 HB1 ASP 77 -1.972 10.980 -12.907 1090 H GLU 78 HN GLU 78 -3.217 8.314 -12.233 1091 HA GLU 78 HA GLU 78 -5.510 8.137 -14.042 1092 HB2 GLU 78 HB2 GLU 78 -4.394 6.245 -15.072 1093 HB3 GLU 78 HB1 GLU 78 -3.364 7.669 -15.071 1094 HG2 GLU 78 HG2 GLU 78 -2.193 6.770 -13.117 1095 HG3 GLU 78 HG1 GLU 78 -3.176 5.315 -13.211 1096 H LEU 79 HN LEU 79 -4.879 7.395 -10.905 1097 HA LEU 79 HA LEU 79 -6.149 4.795 -10.911 1098 HB2 LEU 79 HB2 LEU 79 -5.470 6.583 -8.582 1099 HB3 LEU 79 HB1 LEU 79 -6.088 4.953 -8.459 1100 HG LEU 79 HG LEU 79 -3.391 5.816 -9.463 1101 HD11 LEU 79 HD11 LEU 79 -3.677 5.796 -7.061 1102 HD12 LEU 79 HD12 LEU 79 -2.596 4.501 -7.592 1103 HD13 LEU 79 HD13 LEU 79 -4.258 4.132 -7.131 1104 HD21 LEU 79 HD21 LEU 79 -4.167 3.975 -10.853 1105 HD22 LEU 79 HD22 LEU 79 -4.593 3.047 -9.417 1106 HD23 LEU 79 HD23 LEU 79 -2.903 3.428 -9.751
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