NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
556720 | 2lpv | 18278 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 1.808 0.000 0.855 2 HA MET 1 HA MET 1 2.054 0.996 -1.655 3 HB2 MET 1 1HB MET 1 3.582 -1.322 -0.462 4 HB3 MET 1 2HB MET 1 4.073 -0.454 -1.911 5 HG2 MET 1 1HG MET 1 4.571 1.486 -0.732 6 HG3 MET 1 2HG MET 1 3.617 0.993 0.666 7 HE1 MET 1 3HE MET 1 7.704 0.063 -0.720 8 HE2 MET 1 1HE MET 1 6.894 -1.500 -0.833 9 HE3 MET 1 2HE MET 1 6.229 -0.100 -1.674 10 H GLY 2 H GLY 2 1.170 0.513 -3.550 11 HA2 GLY 2 1HA GLY 2 0.796 -0.922 -5.395 12 HA3 GLY 2 2HA GLY 2 0.850 -2.298 -4.304 13 H VAL 3 H VAL 3 -0.995 -0.597 -2.497 14 HA VAL 3 HA VAL 3 -3.476 -0.651 -4.006 15 HB VAL 3 HB VAL 3 -3.360 -2.955 -3.292 16 HG11 VAL 3 1HG1 VAL 3 -1.770 -2.511 -1.400 17 HG12 VAL 3 2HG1 VAL 3 -3.160 -1.989 -0.446 18 HG13 VAL 3 3HG1 VAL 3 -3.066 -3.649 -1.036 19 HG21 VAL 3 3HG2 VAL 3 -5.258 -1.974 -1.264 20 HG22 VAL 3 1HG2 VAL 3 -5.470 -1.322 -2.889 21 HG23 VAL 3 2HG2 VAL 3 -5.513 -3.065 -2.625 22 H GLN 4 H GLN 4 -4.634 1.060 -3.434 23 HA GLN 4 HA GLN 4 -4.352 2.097 -0.691 24 HB2 GLN 4 1HB GLN 4 -4.137 3.474 -3.303 25 HB3 GLN 4 2HB GLN 4 -5.039 4.322 -2.054 26 HG2 GLN 4 1HG GLN 4 -2.768 5.050 -1.986 27 HG3 GLN 4 2HG GLN 4 -3.092 4.083 -0.548 28 HE21 GLN 4 2HE2 GLN 4 -1.375 2.947 -0.033 29 HE22 GLN 4 1HE2 GLN 4 -0.337 2.107 -1.130 30 H VAL 5 H VAL 5 -6.196 2.935 0.292 31 HA VAL 5 HA VAL 5 -8.731 2.445 -1.129 32 HB VAL 5 HB VAL 5 -8.454 0.688 0.506 33 HG11 VAL 5 1HG1 VAL 5 -8.243 2.801 2.640 34 HG12 VAL 5 2HG1 VAL 5 -8.053 1.056 2.820 35 HG13 VAL 5 3HG1 VAL 5 -6.846 1.989 1.935 36 HG21 VAL 5 3HG2 VAL 5 -10.692 1.834 0.173 37 HG22 VAL 5 1HG2 VAL 5 -10.504 0.900 1.657 38 HG23 VAL 5 2HG2 VAL 5 -10.387 2.659 1.702 39 H VAL 6 H VAL 6 -9.924 4.211 -1.335 40 HA VAL 6 HA VAL 6 -9.519 6.418 0.575 41 HB VAL 6 HB VAL 6 -10.772 6.774 -2.129 42 HG11 VAL 6 1HG1 VAL 6 -9.443 9.023 -1.684 43 HG12 VAL 6 2HG1 VAL 6 -11.049 8.741 -1.009 44 HG13 VAL 6 3HG1 VAL 6 -9.616 8.502 -0.008 45 HG21 VAL 6 3HG2 VAL 6 -7.834 6.652 -1.482 46 HG22 VAL 6 1HG2 VAL 6 -8.722 5.729 -2.695 47 HG23 VAL 6 2HG2 VAL 6 -8.472 7.461 -2.914 48 H THR 7 H THR 7 -11.072 6.332 2.072 49 HA THR 7 HA THR 7 -13.546 5.126 1.911 50 HB THR 7 HB THR 7 -13.084 7.631 3.525 51 HG1 THR 7 HG1 THR 7 -12.435 5.039 4.451 52 HG21 THR 7 3HG2 THR 7 -14.734 6.840 4.947 53 HG22 THR 7 1HG2 THR 7 -14.533 5.170 4.421 54 HG23 THR 7 2HG2 THR 7 -15.341 6.333 3.371 55 H LEU 8 H LEU 8 -15.551 5.689 1.220 56 HA LEU 8 HA LEU 8 -15.841 8.333 -0.048 57 HB2 LEU 8 1HB LEU 8 -17.005 5.707 -0.963 58 HB3 LEU 8 2HB LEU 8 -17.318 7.276 -1.701 59 HG LEU 8 HG LEU 8 -14.518 6.237 -1.536 60 HD11 LEU 8 1HD1 LEU 8 -14.729 5.000 -3.525 61 HD12 LEU 8 2HD1 LEU 8 -16.360 5.600 -3.822 62 HD13 LEU 8 3HD1 LEU 8 -16.064 4.472 -2.500 63 HD21 LEU 8 3HD2 LEU 8 -14.063 7.974 -2.851 64 HD22 LEU 8 1HD2 LEU 8 -15.692 8.553 -2.502 65 HD23 LEU 8 2HD2 LEU 8 -15.391 7.587 -3.946 66 H ALA 9 H ALA 9 -17.581 5.618 1.437 67 HA ALA 9 HA ALA 9 -19.463 7.552 2.589 68 HB1 ALA 9 1HB ALA 9 -20.115 5.731 0.531 69 HB2 ALA 9 2HB ALA 9 -20.887 5.153 2.008 70 HB3 ALA 9 3HB ALA 9 -21.196 6.792 1.434 71 H ALA 10 H ALA 10 -18.764 7.375 4.661 72 HA ALA 10 HA ALA 10 -17.781 5.164 5.976 73 HB1 ALA 10 1HB ALA 10 -19.192 7.625 6.899 74 HB2 ALA 10 2HB ALA 10 -18.835 6.343 8.058 75 HB3 ALA 10 3HB ALA 10 -17.524 7.115 7.165 76 H GLY 11 H GLY 11 -18.613 3.403 6.982 77 HA2 GLY 11 1HA GLY 11 -21.546 3.068 6.839 78 HA3 GLY 11 2HA GLY 11 -20.407 1.756 6.574 79 H ASP 12 H ASP 12 -20.469 0.373 8.204 80 HA ASP 12 HA ASP 12 -21.408 1.077 10.801 81 HB2 ASP 12 1HB ASP 12 -21.482 -1.220 9.567 82 HB3 ASP 12 2HB ASP 12 -19.867 -1.437 10.237 83 H GLU 13 H GLU 13 -18.232 0.574 9.372 84 HA GLU 13 HA GLU 13 -16.117 0.872 10.171 85 HB2 GLU 13 1HB GLU 13 -17.694 3.041 11.514 86 HB3 GLU 13 2HB GLU 13 -15.986 2.842 11.877 87 HG2 GLU 13 1HG GLU 13 -15.653 2.927 9.329 88 HG3 GLU 13 2HG GLU 13 -17.283 3.596 9.290 89 H ALA 14 H ALA 14 -17.785 -1.103 11.525 90 HA ALA 14 HA ALA 14 -16.239 -1.279 14.008 91 HB1 ALA 14 1HB ALA 14 -18.083 -1.781 15.364 92 HB2 ALA 14 2HB ALA 14 -18.597 -0.391 14.408 93 HB3 ALA 14 3HB ALA 14 -19.150 -2.010 13.979 94 H THR 15 H THR 15 -18.316 -2.911 11.657 95 HA THR 15 HA THR 15 -17.254 -5.510 12.466 96 HB THR 15 HB THR 15 -19.298 -4.978 10.309 97 HG1 THR 15 HG1 THR 15 -19.947 -5.769 12.945 98 HG21 THR 15 3HG2 THR 15 -19.912 -7.279 10.619 99 HG22 THR 15 1HG2 THR 15 -18.821 -7.435 11.996 100 HG23 THR 15 2HG2 THR 15 -18.167 -7.207 10.374 101 H TYR 16 H TYR 16 -15.454 -6.217 11.542 102 HA TYR 16 HA TYR 16 -14.955 -5.523 8.722 103 HB2 TYR 16 1HB TYR 16 -12.923 -5.871 10.937 104 HB3 TYR 16 2HB TYR 16 -12.535 -5.602 9.241 105 HD1 TYR 16 HD1 TYR 16 -14.303 -4.059 12.130 106 HD2 TYR 16 HD2 TYR 16 -12.334 -3.428 8.412 107 HE1 TYR 16 HE1 TYR 16 -14.392 -1.630 12.502 108 HE2 TYR 16 HE2 TYR 16 -12.417 -0.997 8.774 109 HH TYR 16 HH TYR 16 -13.498 0.374 11.807 110 HA PRO 17 HA PRO 17 -14.676 -9.810 7.822 111 HB2 PRO 17 1HB PRO 17 -12.826 -9.807 5.835 112 HB3 PRO 17 2HB PRO 17 -14.474 -9.208 5.614 113 HG2 PRO 17 1HG PRO 17 -11.955 -7.674 6.125 114 HG3 PRO 17 2HG PRO 17 -13.270 -7.319 4.990 115 HD2 PRO 17 1HD PRO 17 -13.038 -6.078 7.385 116 HD3 PRO 17 2HD PRO 17 -14.610 -6.412 6.631 117 H LYS 18 H LYS 18 -13.585 -11.578 8.506 118 HA LYS 18 HA LYS 18 -11.031 -11.137 9.853 119 HB2 LYS 18 1HB LYS 18 -13.059 -12.333 10.902 120 HB3 LYS 18 2HB LYS 18 -12.617 -13.695 9.881 121 HG2 LYS 18 1HG LYS 18 -11.642 -14.102 11.983 122 HG3 LYS 18 2HG LYS 18 -10.326 -13.583 10.927 123 HD2 LYS 18 1HD LYS 18 -10.674 -11.255 11.844 124 HD3 LYS 18 2HD LYS 18 -11.745 -11.979 13.046 125 HE2 LYS 18 1HE LYS 18 -8.858 -12.741 12.614 126 HE3 LYS 18 2HE LYS 18 -9.438 -11.651 13.873 127 HZ1 LYS 18 3HZ LYS 18 -9.530 -13.520 15.080 128 HZ2 LYS 18 1HZ LYS 18 -9.561 -14.537 13.729 129 HZ3 LYS 18 2HZ LYS 18 -10.985 -13.800 14.265 130 H ALA 19 H ALA 19 -9.196 -12.412 9.472 131 HA ALA 19 HA ALA 19 -8.650 -13.014 6.787 132 HB1 ALA 19 1HB ALA 19 -6.716 -12.576 7.896 133 HB2 ALA 19 2HB ALA 19 -7.242 -13.396 9.367 134 HB3 ALA 19 3HB ALA 19 -6.680 -14.337 7.985 135 H GLY 20 H GLY 20 -9.523 -14.616 5.647 136 HA2 GLY 20 1HA GLY 20 -9.553 -16.954 5.126 137 HA3 GLY 20 2HA GLY 20 -9.579 -17.301 6.848 138 H GLN 21 H GLN 21 -11.664 -14.853 6.606 139 HA GLN 21 HA GLN 21 -13.952 -16.660 6.528 140 HB2 GLN 21 1HB GLN 21 -13.431 -13.945 7.635 141 HB3 GLN 21 2HB GLN 21 -15.083 -14.338 7.180 142 HG2 GLN 21 1HG GLN 21 -14.633 -16.493 8.598 143 HG3 GLN 21 2HG GLN 21 -13.383 -15.489 9.331 144 HE21 GLN 21 2HE2 GLN 21 -14.589 -13.030 9.313 145 HE22 GLN 21 1HE2 GLN 21 -15.963 -13.050 10.359 146 H VAL 22 H VAL 22 -15.923 -16.006 5.390 147 HA VAL 22 HA VAL 22 -15.270 -15.010 2.732 148 HB VAL 22 HB VAL 22 -17.902 -16.126 3.704 149 HG11 VAL 22 1HG1 VAL 22 -16.758 -15.720 0.943 150 HG12 VAL 22 2HG1 VAL 22 -18.266 -16.565 1.298 151 HG13 VAL 22 3HG1 VAL 22 -18.108 -14.847 1.666 152 HG21 VAL 22 3HG2 VAL 22 -16.913 -18.116 3.818 153 HG22 VAL 22 1HG2 VAL 22 -16.622 -18.008 2.082 154 HG23 VAL 22 2HG2 VAL 22 -15.392 -17.454 3.218 155 H ALA 23 H ALA 23 -15.495 -12.927 2.289 156 HA ALA 23 HA ALA 23 -17.533 -11.378 3.743 157 HB1 ALA 23 1HB ALA 23 -14.836 -10.680 2.685 158 HB2 ALA 23 2HB ALA 23 -16.066 -9.420 2.806 159 HB3 ALA 23 3HB ALA 23 -15.567 -10.307 4.246 160 H VAL 24 H VAL 24 -18.974 -10.094 2.638 161 HA VAL 24 HA VAL 24 -19.043 -10.475 -0.285 162 HB VAL 24 HB VAL 24 -21.420 -9.912 1.486 163 HG11 VAL 24 1HG1 VAL 24 -21.064 -9.757 -1.283 164 HG12 VAL 24 2HG1 VAL 24 -21.953 -11.256 -1.001 165 HG13 VAL 24 3HG1 VAL 24 -22.587 -9.725 -0.395 166 HG21 VAL 24 3HG2 VAL 24 -21.699 -12.487 0.555 167 HG22 VAL 24 1HG2 VAL 24 -19.991 -12.398 0.984 168 HG23 VAL 24 2HG2 VAL 24 -21.223 -12.025 2.189 169 H VAL 25 H VAL 25 -18.757 -8.712 -1.469 170 HA VAL 25 HA VAL 25 -19.740 -6.135 -0.510 171 HB VAL 25 HB VAL 25 -17.733 -4.968 -0.702 172 HG11 VAL 25 1HG1 VAL 25 -16.278 -5.962 0.856 173 HG12 VAL 25 2HG1 VAL 25 -17.875 -6.606 1.241 174 HG13 VAL 25 3HG1 VAL 25 -16.716 -7.593 0.349 175 HG21 VAL 25 3HG2 VAL 25 -15.647 -6.371 -1.557 176 HG22 VAL 25 1HG2 VAL 25 -16.912 -7.240 -2.425 177 HG23 VAL 25 2HG2 VAL 25 -16.709 -5.505 -2.666 178 H HIS 26 H HIS 26 -19.461 -4.428 -2.266 179 HA HIS 26 HA HIS 26 -20.069 -5.672 -4.862 180 HB2 HIS 26 1HB HIS 26 -21.171 -3.354 -3.404 181 HB3 HIS 26 2HB HIS 26 -20.938 -3.110 -5.132 182 HD1 HIS 26 HD1 HIS 26 -22.018 -5.249 -6.600 183 HD2 HIS 26 HD2 HIS 26 -23.585 -4.413 -2.844 184 HE1 HIS 26 HE1 HIS 26 -24.293 -6.320 -6.567 185 H TYR 27 H TYR 27 -18.596 -5.481 -6.404 186 HA TYR 27 HA TYR 27 -16.555 -3.385 -6.159 187 HB2 TYR 27 1HB TYR 27 -15.149 -4.750 -7.550 188 HB3 TYR 27 2HB TYR 27 -15.827 -5.778 -6.292 189 HD1 TYR 27 HD2 TYR 27 -16.003 -4.912 -9.874 190 HD2 TYR 27 HD1 TYR 27 -17.260 -7.608 -6.832 191 HE1 TYR 27 HE2 TYR 27 -16.843 -6.454 -11.596 192 HE2 TYR 27 HE1 TYR 27 -18.103 -9.158 -8.546 193 HH TYR 27 HH TYR 27 -17.749 -8.440 -12.006 194 H THR 28 H THR 28 -16.222 -1.886 -7.724 195 HA THR 28 HA THR 28 -17.863 -2.045 -10.160 196 HB THR 28 HB THR 28 -17.522 0.420 -8.439 197 HG1 THR 28 HG1 THR 28 -19.132 -0.768 -7.542 198 HG21 THR 28 3HG2 THR 28 -17.902 1.581 -10.305 199 HG22 THR 28 1HG2 THR 28 -19.498 0.835 -10.376 200 HG23 THR 28 2HG2 THR 28 -18.144 0.104 -11.239 201 H GLY 29 H GLY 29 -16.747 -1.699 -11.973 202 HA2 GLY 29 1HA GLY 29 -13.955 -1.263 -11.935 203 HA3 GLY 29 2HA GLY 29 -14.977 -1.243 -13.364 204 H THR 30 H THR 30 -12.702 0.492 -12.403 205 HA THR 30 HA THR 30 -13.738 2.960 -13.362 206 HB THR 30 HB THR 30 -12.703 3.740 -10.816 207 HG1 THR 30 HG1 THR 30 -13.442 2.034 -9.731 208 HG21 THR 30 3HG2 THR 30 -14.088 5.251 -11.915 209 HG22 THR 30 1HG2 THR 30 -15.138 4.619 -10.648 210 HG23 THR 30 2HG2 THR 30 -15.291 4.022 -12.301 211 H LEU 31 H LEU 31 -12.124 4.311 -14.039 212 HA LEU 31 HA LEU 31 -9.397 3.288 -13.736 213 HB2 LEU 31 1HB LEU 31 -10.732 5.080 -15.732 214 HB3 LEU 31 2HB LEU 31 -8.976 5.017 -15.600 215 HG LEU 31 HG LEU 31 -10.789 2.707 -16.296 216 HD11 LEU 31 1HD1 LEU 31 -9.795 2.860 -18.500 217 HD12 LEU 31 2HD1 LEU 31 -8.820 4.237 -17.989 218 HD13 LEU 31 3HD1 LEU 31 -10.575 4.384 -18.076 219 HD21 LEU 31 3HD2 LEU 31 -7.803 2.899 -15.963 220 HD22 LEU 31 1HD2 LEU 31 -8.606 1.582 -16.819 221 HD23 LEU 31 2HD2 LEU 31 -8.924 1.841 -15.104 222 H ALA 32 H ALA 32 -7.631 4.855 -13.499 223 HA ALA 32 HA ALA 32 -7.950 6.489 -11.258 224 HB1 ALA 32 1HB ALA 32 -5.709 7.510 -12.386 225 HB2 ALA 32 2HB ALA 32 -5.759 6.023 -11.437 226 HB3 ALA 32 3HB ALA 32 -5.812 5.947 -13.198 227 H ASP 33 H ASP 33 -8.550 7.120 -14.590 228 HA ASP 33 HA ASP 33 -8.423 9.994 -14.347 229 HB2 ASP 33 1HB ASP 33 -9.212 8.095 -16.539 230 HB3 ASP 33 2HB ASP 33 -9.557 9.817 -16.675 231 H GLY 34 H GLY 34 -10.699 7.570 -13.658 232 HA2 GLY 34 1HA GLY 34 -12.645 8.238 -12.357 233 HA3 GLY 34 2HA GLY 34 -12.804 9.626 -13.423 234 H LYS 35 H LYS 35 -12.072 7.591 -15.657 235 HA LYS 35 HA LYS 35 -14.589 7.264 -16.736 236 HB2 LYS 35 1HB LYS 35 -11.918 6.342 -17.319 237 HB3 LYS 35 2HB LYS 35 -13.086 5.071 -17.654 238 HG2 LYS 35 1HG LYS 35 -13.150 7.870 -18.763 239 HG3 LYS 35 2HG LYS 35 -12.661 6.413 -19.631 240 HD2 LYS 35 1HD LYS 35 -14.958 5.495 -19.166 241 HD3 LYS 35 2HD LYS 35 -15.397 7.097 -18.568 242 HE2 LYS 35 1HE LYS 35 -16.057 7.349 -20.727 243 HE3 LYS 35 2HE LYS 35 -14.367 7.814 -20.915 244 HZ1 LYS 35 3HZ LYS 35 -13.890 5.494 -21.546 245 HZ2 LYS 35 1HZ LYS 35 -14.951 6.260 -22.618 246 HZ3 LYS 35 2HZ LYS 35 -15.545 5.151 -21.488 247 H VAL 36 H VAL 36 -16.281 6.077 -16.172 248 HA VAL 36 HA VAL 36 -16.072 4.058 -14.140 249 HB VAL 36 HB VAL 36 -18.025 5.634 -14.398 250 HG11 VAL 36 1HG1 VAL 36 -18.764 3.751 -16.636 251 HG12 VAL 36 2HG1 VAL 36 -19.770 5.048 -15.990 252 HG13 VAL 36 3HG1 VAL 36 -18.267 5.432 -16.830 253 HG21 VAL 36 3HG2 VAL 36 -19.150 4.206 -13.108 254 HG22 VAL 36 1HG2 VAL 36 -19.388 3.082 -14.446 255 HG23 VAL 36 2HG2 VAL 36 -17.909 3.012 -13.488 256 H PHE 37 H PHE 37 -16.481 1.859 -14.327 257 HA PHE 37 HA PHE 37 -16.591 0.778 -17.061 258 HB2 PHE 37 1HB PHE 37 -14.610 0.238 -14.910 259 HB3 PHE 37 2HB PHE 37 -15.138 -1.133 -15.879 260 HD1 PHE 37 HD1 PHE 37 -13.829 2.333 -16.232 261 HD2 PHE 37 HD2 PHE 37 -14.081 -1.583 -17.879 262 HE1 PHE 37 HE1 PHE 37 -12.241 2.977 -17.997 263 HE2 PHE 37 HE2 PHE 37 -12.493 -0.946 -19.646 264 HZ PHE 37 HZ PHE 37 -11.570 1.337 -19.707 265 H ASP 38 H ASP 38 -16.799 -1.830 -16.674 266 HA ASP 38 HA ASP 38 -19.435 -2.241 -15.879 267 HB2 ASP 38 1HB ASP 38 -17.783 -3.717 -17.299 268 HB3 ASP 38 2HB ASP 38 -17.467 -4.493 -15.750 269 H SER 39 H SER 39 -20.415 -2.724 -14.002 270 HA SER 39 HA SER 39 -18.706 -3.204 -11.648 271 HB2 SER 39 1HB SER 39 -19.981 -1.749 -10.330 272 HB3 SER 39 2HB SER 39 -19.873 -0.893 -11.868 273 HG SER 39 HG SER 39 -21.997 -0.849 -11.289 274 H SER 40 H SER 40 -19.695 -4.421 -9.920 275 HA SER 40 HA SER 40 -21.206 -6.642 -10.908 276 HB2 SER 40 1HB SER 40 -19.421 -6.341 -8.875 277 HB3 SER 40 2HB SER 40 -20.941 -6.340 -7.982 278 HG SER 40 HG SER 40 -20.474 -8.445 -8.149 279 H ARG 41 H ARG 41 -21.895 -3.805 -8.960 280 HA ARG 41 HA ARG 41 -24.419 -4.562 -7.993 281 HB2 ARG 41 1HB ARG 41 -24.807 -2.093 -7.765 282 HB3 ARG 41 2HB ARG 41 -23.325 -2.675 -7.020 283 HG2 ARG 41 1HG ARG 41 -21.988 -1.767 -8.739 284 HG3 ARG 41 2HG ARG 41 -23.390 -1.469 -9.769 285 HD2 ARG 41 1HD ARG 41 -23.014 -0.150 -7.091 286 HD3 ARG 41 2HD ARG 41 -22.412 0.548 -8.594 287 HE ARG 41 HE ARG 41 -25.180 -0.107 -8.762 288 HH11 ARG 41 1HH1 ARG 41 -22.933 2.259 -7.546 289 HH12 ARG 41 2HH1 ARG 41 -24.079 3.558 -7.586 290 HH21 ARG 41 1HH2 ARG 41 -26.697 1.596 -8.819 291 HH22 ARG 41 2HH2 ARG 41 -26.219 3.180 -8.310 292 H THR 42 H THR 42 -23.374 -3.560 -11.117 293 HA THR 42 HA THR 42 -25.689 -2.461 -12.196 294 HB THR 42 HB THR 42 -23.641 -4.206 -13.579 295 HG1 THR 42 HG1 THR 42 -22.718 -2.197 -14.132 296 HG21 THR 42 3HG2 THR 42 -24.492 -2.671 -15.547 297 HG22 THR 42 1HG2 THR 42 -25.964 -2.624 -14.577 298 HG23 THR 42 2HG2 THR 42 -25.328 -4.169 -15.140 299 H ARG 43 H ARG 43 -24.985 -5.727 -11.320 300 HA ARG 43 HA ARG 43 -27.450 -6.635 -12.651 301 HB2 ARG 43 1HB ARG 43 -25.134 -8.315 -11.674 302 HB3 ARG 43 2HB ARG 43 -26.540 -8.890 -12.561 303 HG2 ARG 43 1HG ARG 43 -25.094 -6.751 -13.921 304 HG3 ARG 43 2HG ARG 43 -24.136 -8.209 -13.659 305 HD2 ARG 43 1HD ARG 43 -26.867 -8.134 -14.936 306 HD3 ARG 43 2HD ARG 43 -25.342 -8.216 -15.817 307 HE ARG 43 HE ARG 43 -25.573 -10.322 -13.915 308 HH11 ARG 43 1HH1 ARG 43 -26.614 -9.288 -17.072 309 HH12 ARG 43 2HH1 ARG 43 -26.868 -10.899 -17.659 310 HH21 ARG 43 1HH2 ARG 43 -25.904 -12.447 -14.675 311 HH22 ARG 43 2HH2 ARG 43 -26.465 -12.694 -16.294 312 H GLY 44 H GLY 44 -26.815 -5.350 -9.895 313 HA2 GLY 44 1HA GLY 44 -27.556 -5.556 -7.729 314 HA3 GLY 44 2HA GLY 44 -28.905 -6.423 -8.447 315 H LYS 45 H LYS 45 -25.474 -7.309 -8.259 316 HA LYS 45 HA LYS 45 -26.105 -9.434 -6.365 317 HB2 LYS 45 1HB LYS 45 -26.450 -10.431 -8.598 318 HB3 LYS 45 2HB LYS 45 -24.808 -9.982 -9.042 319 HG2 LYS 45 1HG LYS 45 -24.704 -12.253 -8.480 320 HG3 LYS 45 2HG LYS 45 -24.044 -11.399 -7.083 321 HD2 LYS 45 1HD LYS 45 -26.363 -11.521 -6.078 322 HD3 LYS 45 2HD LYS 45 -26.773 -12.636 -7.384 323 HE2 LYS 45 1HE LYS 45 -26.128 -13.821 -5.336 324 HE3 LYS 45 2HE LYS 45 -25.020 -14.156 -6.665 325 HZ1 LYS 45 3HZ LYS 45 -24.130 -13.564 -4.298 326 HZ2 LYS 45 1HZ LYS 45 -24.375 -11.973 -4.818 327 HZ3 LYS 45 2HZ LYS 45 -23.339 -12.994 -5.681 328 HA PRO 46 HA PRO 46 -22.169 -7.643 -5.095 329 HB2 PRO 46 1HB PRO 46 -22.250 -8.692 -2.592 330 HB3 PRO 46 2HB PRO 46 -23.143 -7.238 -3.053 331 HG2 PRO 46 1HG PRO 46 -24.114 -10.059 -2.809 332 HG3 PRO 46 2HG PRO 46 -24.892 -8.558 -2.275 333 HD2 PRO 46 1HD PRO 46 -25.594 -9.830 -4.560 334 HD3 PRO 46 2HD PRO 46 -25.675 -8.065 -4.386 335 H PHE 47 H PHE 47 -20.119 -8.479 -4.886 336 HA PHE 47 HA PHE 47 -19.843 -11.316 -5.493 337 HB2 PHE 47 1HB PHE 47 -18.602 -9.260 -6.618 338 HB3 PHE 47 2HB PHE 47 -17.487 -9.497 -5.276 339 HD1 PHE 47 HD1 PHE 47 -19.114 -11.276 -8.099 340 HD2 PHE 47 HD2 PHE 47 -15.832 -11.123 -5.392 341 HE1 PHE 47 HE1 PHE 47 -18.005 -13.083 -9.347 342 HE2 PHE 47 HE2 PHE 47 -14.718 -12.930 -6.637 343 HZ PHE 47 HZ PHE 47 -15.804 -13.911 -8.617 344 H ARG 48 H ARG 48 -19.230 -12.793 -4.054 345 HA ARG 48 HA ARG 48 -18.099 -11.857 -1.498 346 HB2 ARG 48 1HB ARG 48 -19.198 -13.732 -0.405 347 HB3 ARG 48 2HB ARG 48 -20.380 -12.754 -1.263 348 HG2 ARG 48 1HG ARG 48 -21.003 -14.459 -2.548 349 HG3 ARG 48 2HG ARG 48 -19.333 -14.907 -2.902 350 HD2 ARG 48 1HD ARG 48 -19.330 -15.844 -0.489 351 HD3 ARG 48 2HD ARG 48 -21.086 -15.773 -0.633 352 HE ARG 48 HE ARG 48 -19.796 -17.125 -2.818 353 HH11 ARG 48 1HH1 ARG 48 -21.110 -17.465 0.388 354 HH12 ARG 48 2HH1 ARG 48 -21.410 -19.163 0.226 355 HH21 ARG 48 1HH2 ARG 48 -20.186 -19.361 -3.044 356 HH22 ARG 48 2HH2 ARG 48 -20.883 -20.241 -1.726 357 H PHE 49 H PHE 49 -16.433 -13.045 -0.567 358 HA PHE 49 HA PHE 49 -15.453 -15.475 -1.688 359 HB2 PHE 49 1HB PHE 49 -13.322 -14.633 -2.552 360 HB3 PHE 49 2HB PHE 49 -14.673 -13.923 -3.429 361 HD1 PHE 49 HD2 PHE 49 -11.990 -13.293 -1.015 362 HD2 PHE 49 HD1 PHE 49 -15.154 -11.579 -3.287 363 HE1 PHE 49 HE2 PHE 49 -11.116 -11.045 -0.529 364 HE2 PHE 49 HE1 PHE 49 -14.285 -9.328 -2.806 365 HZ PHE 49 HZ PHE 49 -12.264 -9.059 -1.424 366 H THR 50 H THR 50 -13.294 -16.071 -0.696 367 HA THR 50 HA THR 50 -13.402 -15.418 2.126 368 HB THR 50 HB THR 50 -11.486 -17.304 0.748 369 HG1 THR 50 HG1 THR 50 -14.156 -17.642 1.618 370 HG21 THR 50 3HG2 THR 50 -10.754 -16.801 2.960 371 HG22 THR 50 1HG2 THR 50 -11.522 -18.386 3.024 372 HG23 THR 50 2HG2 THR 50 -12.387 -16.963 3.605 373 H VAL 51 H VAL 51 -12.428 -13.591 2.738 374 HA VAL 51 HA VAL 51 -10.340 -12.305 1.372 375 HB VAL 51 HB VAL 51 -10.957 -12.016 4.312 376 HG11 VAL 51 1HG1 VAL 51 -10.286 -9.588 3.648 377 HG12 VAL 51 2HG1 VAL 51 -9.032 -10.796 3.941 378 HG13 VAL 51 3HG1 VAL 51 -9.489 -10.380 2.289 379 HG21 VAL 51 3HG2 VAL 51 -12.334 -10.862 1.901 380 HG22 VAL 51 1HG2 VAL 51 -13.043 -11.748 3.252 381 HG23 VAL 51 2HG2 VAL 51 -12.430 -10.112 3.494 382 H GLY 52 H GLY 52 -8.447 -13.309 1.014 383 HA2 GLY 52 1HA GLY 52 -6.250 -13.524 2.193 384 HA3 GLY 52 2HA GLY 52 -7.105 -14.548 3.337 385 H ARG 53 H ARG 53 -8.651 -15.563 0.855 386 HA ARG 53 HA ARG 53 -6.958 -17.843 0.434 387 HB2 ARG 53 1HB ARG 53 -9.713 -17.042 -0.398 388 HB3 ARG 53 2HB ARG 53 -8.909 -18.334 -1.280 389 HG2 ARG 53 1HG ARG 53 -9.346 -18.300 1.698 390 HG3 ARG 53 2HG ARG 53 -10.360 -19.153 0.532 391 HD2 ARG 53 1HD ARG 53 -8.185 -20.292 -0.219 392 HD3 ARG 53 2HD ARG 53 -7.507 -19.687 1.292 393 HE ARG 53 HE ARG 53 -9.885 -21.000 1.901 394 HH11 ARG 53 1HH1 ARG 53 -6.735 -21.747 0.621 395 HH12 ARG 53 2HH1 ARG 53 -6.729 -23.370 1.228 396 HH21 ARG 53 1HH2 ARG 53 -9.890 -23.135 2.705 397 HH22 ARG 53 2HH2 ARG 53 -8.525 -24.158 2.412 398 H GLY 54 H GLY 54 -6.915 -18.678 -1.981 399 HA2 GLY 54 1HA GLY 54 -5.523 -16.577 -3.479 400 HA3 GLY 54 2HA GLY 54 -5.372 -18.308 -3.745 401 H GLU 55 H GLU 55 -8.538 -16.988 -3.356 402 HA GLU 55 HA GLU 55 -9.147 -17.678 -6.117 403 HB2 GLU 55 1HB GLU 55 -11.083 -16.708 -4.019 404 HB3 GLU 55 2HB GLU 55 -11.443 -17.608 -5.486 405 HG2 GLU 55 1HG GLU 55 -9.959 -19.446 -4.430 406 HG3 GLU 55 2HG GLU 55 -10.248 -18.572 -2.926 407 H VAL 56 H VAL 56 -8.636 -14.894 -4.158 408 HA VAL 56 HA VAL 56 -9.635 -13.162 -6.324 409 HB VAL 56 HB VAL 56 -9.666 -11.354 -4.557 410 HG11 VAL 56 1HG1 VAL 56 -11.850 -11.836 -3.949 411 HG12 VAL 56 2HG1 VAL 56 -11.630 -12.823 -5.395 412 HG13 VAL 56 3HG1 VAL 56 -11.534 -13.564 -3.797 413 HG21 VAL 56 3HG2 VAL 56 -10.003 -13.176 -2.348 414 HG22 VAL 56 1HG2 VAL 56 -8.386 -13.311 -3.038 415 HG23 VAL 56 2HG2 VAL 56 -8.977 -11.747 -2.478 416 H ILE 57 H ILE 57 -8.445 -10.860 -5.981 417 HA ILE 57 HA ILE 57 -5.617 -11.466 -6.404 418 HB ILE 57 HB ILE 57 -5.502 -9.124 -7.280 419 HG12 ILE 57 1HG1 ILE 57 -8.477 -9.081 -7.458 420 HG13 ILE 57 2HG1 ILE 57 -7.742 -8.625 -5.925 421 HG21 ILE 57 1HG2 ILE 57 -7.369 -9.857 -9.165 422 HG22 ILE 57 2HG2 ILE 57 -5.676 -10.347 -9.137 423 HG23 ILE 57 3HG2 ILE 57 -6.908 -11.393 -8.433 424 HD11 ILE 57 3HD1 ILE 57 -7.966 -6.606 -7.009 425 HD12 ILE 57 1HD1 ILE 57 -6.296 -7.044 -7.368 426 HD13 ILE 57 2HD1 ILE 57 -7.552 -7.286 -8.583 427 H ARG 58 H ARG 58 -3.972 -10.039 -5.521 428 HA ARG 58 HA ARG 58 -4.048 -9.791 -2.775 429 HB2 ARG 58 1HB ARG 58 -2.397 -8.178 -4.729 430 HB3 ARG 58 2HB ARG 58 -2.079 -8.313 -3.005 431 HG2 ARG 58 1HG ARG 58 -2.162 -10.698 -4.827 432 HG3 ARG 58 2HG ARG 58 -0.691 -9.771 -4.524 433 HD2 ARG 58 1HD ARG 58 -0.916 -10.216 -2.124 434 HD3 ARG 58 2HD ARG 58 -2.376 -11.154 -2.439 435 HE ARG 58 HE ARG 58 -0.319 -12.231 -3.981 436 HH11 ARG 58 1HH1 ARG 58 -1.165 -11.850 -0.626 437 HH12 ARG 58 2HH1 ARG 58 -0.327 -13.278 -0.117 438 HH21 ARG 58 1HH2 ARG 58 0.788 -14.114 -3.324 439 HH22 ARG 58 2HH2 ARG 58 0.785 -14.565 -1.653 440 H GLY 59 H GLY 59 -4.688 -7.290 -5.217 441 HA2 GLY 59 1HA GLY 59 -5.008 -5.078 -3.614 442 HA3 GLY 59 2HA GLY 59 -5.931 -5.360 -5.082 443 H TRP 60 H TRP 60 -7.727 -7.124 -4.685 444 HA TRP 60 HA TRP 60 -9.656 -5.990 -3.046 445 HB2 TRP 60 1HB TRP 60 -9.369 -8.650 -4.382 446 HB3 TRP 60 2HB TRP 60 -10.681 -8.417 -3.229 447 HD1 TRP 60 HD1 TRP 60 -9.960 -5.276 -5.081 448 HE1 TRP 60 HE1 TRP 60 -11.733 -4.894 -6.907 449 HE3 TRP 60 HE3 TRP 60 -12.182 -9.880 -5.032 450 HZ2 TRP 60 HZ2 TRP 60 -13.800 -6.351 -8.161 451 HZ3 TRP 60 HZ3 TRP 60 -14.051 -10.304 -6.575 452 HH2 TRP 60 HH2 TRP 60 -14.842 -8.575 -8.106 453 H ASP 61 H ASP 61 -7.479 -8.706 -2.396 454 HA ASP 61 HA ASP 61 -8.465 -9.610 0.004 455 HB2 ASP 61 1HB ASP 61 -6.353 -10.308 -1.425 456 HB3 ASP 61 2HB ASP 61 -5.507 -9.287 -0.265 457 H GLU 62 H GLU 62 -5.811 -7.236 -0.269 458 HA GLU 62 HA GLU 62 -5.908 -6.474 2.443 459 HB2 GLU 62 1HB GLU 62 -4.677 -5.306 -0.025 460 HB3 GLU 62 2HB GLU 62 -4.694 -4.367 1.462 461 HG2 GLU 62 1HG GLU 62 -3.508 -7.116 1.158 462 HG3 GLU 62 2HG GLU 62 -2.602 -5.604 1.149 463 H GLY 63 H GLY 63 -7.239 -4.944 -0.479 464 HA2 GLY 63 1HA GLY 63 -8.288 -2.638 0.597 465 HA3 GLY 63 2HA GLY 63 -9.026 -3.518 -0.732 466 H VAL 64 H VAL 64 -10.215 -5.599 0.098 467 HA VAL 64 HA VAL 64 -12.398 -4.733 1.636 468 HB VAL 64 HB VAL 64 -12.404 -6.622 -0.036 469 HG11 VAL 64 1HG1 VAL 64 -11.659 -8.489 2.149 470 HG12 VAL 64 2HG1 VAL 64 -11.500 -8.669 0.401 471 HG13 VAL 64 3HG1 VAL 64 -10.360 -7.661 1.292 472 HG21 VAL 64 3HG2 VAL 64 -14.040 -7.989 1.283 473 HG22 VAL 64 1HG2 VAL 64 -13.602 -7.031 2.698 474 HG23 VAL 64 2HG2 VAL 64 -14.346 -6.252 1.301 475 H ALA 65 H ALA 65 -9.446 -6.404 2.499 476 HA ALA 65 HA ALA 65 -10.150 -7.382 5.015 477 HB1 ALA 65 1HB ALA 65 -7.587 -6.896 5.445 478 HB2 ALA 65 2HB ALA 65 -8.116 -8.181 4.358 479 HB3 ALA 65 3HB ALA 65 -7.593 -6.631 3.701 480 H GLN 66 H GLN 66 -9.086 -4.172 4.018 481 HA GLN 66 HA GLN 66 -9.281 -3.230 6.785 482 HB2 GLN 66 1HB GLN 66 -8.190 -1.191 5.976 483 HB3 GLN 66 2HB GLN 66 -7.249 -2.620 5.570 484 HG2 GLN 66 1HG GLN 66 -8.322 -2.534 3.292 485 HG3 GLN 66 2HG GLN 66 -8.948 -0.949 3.745 486 HE21 GLN 66 2HE2 GLN 66 -6.607 -2.386 2.060 487 HE22 GLN 66 1HE2 GLN 66 -5.350 -1.208 2.188 488 H MET 67 H MET 67 -11.606 -3.927 5.089 489 HA MET 67 HA MET 67 -12.893 -1.284 4.922 490 HB2 MET 67 1HB MET 67 -13.389 -3.860 3.450 491 HB3 MET 67 2HB MET 67 -14.614 -2.601 3.524 492 HG2 MET 67 1HG MET 67 -11.889 -1.816 2.670 493 HG3 MET 67 2HG MET 67 -12.860 -2.768 1.550 494 HE1 MET 67 3HE MET 67 -16.038 -0.535 1.144 495 HE2 MET 67 1HE MET 67 -15.085 -1.719 0.247 496 HE3 MET 67 2HE MET 67 -15.637 -2.087 1.881 497 H SER 68 H SER 68 -15.122 -1.130 5.613 498 HA SER 68 HA SER 68 -15.776 -3.065 7.738 499 HB2 SER 68 1HB SER 68 -17.019 -1.072 8.776 500 HB3 SER 68 2HB SER 68 -15.257 -1.042 8.847 501 HG SER 68 HG SER 68 -16.745 0.834 7.918 502 H VAL 69 H VAL 69 -17.922 -3.682 8.000 503 HA VAL 69 HA VAL 69 -19.462 -4.020 5.722 504 HB VAL 69 HB VAL 69 -20.418 -3.991 8.588 505 HG11 VAL 69 1HG1 VAL 69 -22.313 -3.823 7.143 506 HG12 VAL 69 2HG1 VAL 69 -21.678 -5.077 6.076 507 HG13 VAL 69 3HG1 VAL 69 -22.211 -5.491 7.705 508 HG21 VAL 69 3HG2 VAL 69 -18.522 -5.562 7.955 509 HG22 VAL 69 1HG2 VAL 69 -19.956 -6.300 8.669 510 HG23 VAL 69 2HG2 VAL 69 -19.691 -6.391 6.928 511 H GLY 70 H GLY 70 -20.920 -2.824 4.652 512 HA2 GLY 70 1HA GLY 70 -22.472 -1.159 4.227 513 HA3 GLY 70 2HA GLY 70 -22.380 -0.691 5.918 514 H GLN 71 H GLN 71 -19.305 -0.875 4.614 515 HA GLN 71 HA GLN 71 -19.231 2.045 4.310 516 HB2 GLN 71 1HB GLN 71 -17.758 0.745 6.004 517 HB3 GLN 71 2HB GLN 71 -16.805 0.298 4.595 518 HG2 GLN 71 1HG GLN 71 -17.039 2.992 4.274 519 HG3 GLN 71 2HG GLN 71 -16.970 2.837 6.029 520 HE21 GLN 71 2HE2 GLN 71 -15.257 2.513 3.054 521 HE22 GLN 71 1HE2 GLN 71 -13.700 2.204 3.735 522 H ARG 72 H ARG 72 -18.584 2.995 2.455 523 HA ARG 72 HA ARG 72 -17.812 1.213 0.238 524 HB2 ARG 72 1HB ARG 72 -19.993 2.123 -0.194 525 HB3 ARG 72 2HB ARG 72 -19.452 3.747 0.208 526 HG2 ARG 72 1HG ARG 72 -18.155 3.906 -1.762 527 HG3 ARG 72 2HG ARG 72 -18.328 2.181 -2.095 528 HD2 ARG 72 1HD ARG 72 -19.777 3.487 -3.547 529 HD3 ARG 72 2HD ARG 72 -20.730 2.493 -2.446 530 HE ARG 72 HE ARG 72 -21.575 4.402 -1.509 531 HH11 ARG 72 1HH1 ARG 72 -18.761 5.205 -3.395 532 HH12 ARG 72 2HH1 ARG 72 -18.989 6.916 -3.246 533 HH21 ARG 72 1HH2 ARG 72 -21.885 6.653 -1.306 534 HH22 ARG 72 2HH2 ARG 72 -20.765 7.738 -2.056 535 H ALA 73 H ALA 73 -16.000 1.668 -0.880 536 HA ALA 73 HA ALA 73 -14.800 4.291 -0.828 537 HB1 ALA 73 1HB ALA 73 -12.717 3.652 0.200 538 HB2 ALA 73 2HB ALA 73 -14.043 3.302 1.310 539 HB3 ALA 73 3HB ALA 73 -13.284 1.994 0.403 540 H LYS 74 H LYS 74 -12.741 4.324 -2.112 541 HA LYS 74 HA LYS 74 -13.065 2.587 -4.435 542 HB2 LYS 74 1HB LYS 74 -12.056 4.229 -5.691 543 HB3 LYS 74 2HB LYS 74 -12.777 5.204 -4.417 544 HG2 LYS 74 1HG LYS 74 -10.601 5.170 -3.230 545 HG3 LYS 74 2HG LYS 74 -9.906 4.322 -4.613 546 HD2 LYS 74 1HD LYS 74 -9.439 6.705 -4.753 547 HD3 LYS 74 2HD LYS 74 -10.517 6.211 -6.061 548 HE2 LYS 74 1HE LYS 74 -12.132 7.580 -5.361 549 HE3 LYS 74 2HE LYS 74 -11.983 7.020 -3.696 550 HZ1 LYS 74 3HZ LYS 74 -9.806 8.508 -3.874 551 HZ2 LYS 74 1HZ LYS 74 -11.304 9.135 -3.397 552 HZ3 LYS 74 2HZ LYS 74 -10.775 9.329 -4.992 553 H LEU 75 H LEU 75 -11.596 1.109 -5.089 554 HA LEU 75 HA LEU 75 -9.246 0.721 -3.361 555 HB2 LEU 75 1HB LEU 75 -11.226 -1.041 -3.914 556 HB3 LEU 75 2HB LEU 75 -10.065 -1.449 -5.175 557 HG LEU 75 HG LEU 75 -9.428 -1.411 -2.227 558 HD11 LEU 75 1HD1 LEU 75 -9.316 -4.021 -3.160 559 HD12 LEU 75 2HD1 LEU 75 -10.807 -3.373 -3.841 560 HD13 LEU 75 3HD1 LEU 75 -10.543 -3.329 -2.098 561 HD21 LEU 75 3HD2 LEU 75 -7.437 -1.100 -3.447 562 HD22 LEU 75 1HD2 LEU 75 -7.920 -2.261 -4.685 563 HD23 LEU 75 2HD2 LEU 75 -7.493 -2.822 -3.068 564 H VAL 76 H VAL 76 -7.724 1.958 -4.388 565 HA VAL 76 HA VAL 76 -7.247 1.489 -7.242 566 HB VAL 76 HB VAL 76 -7.353 3.814 -6.707 567 HG11 VAL 76 1HG1 VAL 76 -6.032 2.981 -4.290 568 HG12 VAL 76 2HG1 VAL 76 -5.181 4.339 -5.028 569 HG13 VAL 76 3HG1 VAL 76 -6.895 4.479 -4.636 570 HG21 VAL 76 3HG2 VAL 76 -5.567 4.404 -7.935 571 HG22 VAL 76 1HG2 VAL 76 -4.426 3.681 -6.801 572 HG23 VAL 76 2HG2 VAL 76 -5.242 2.672 -7.995 573 H CYS 77 H CYS 77 -6.054 -0.316 -7.487 574 HA CYS 77 HA CYS 77 -3.496 -0.438 -6.034 575 HB2 CYS 77 1HB CYS 77 -3.708 -2.952 -6.197 576 HB3 CYS 77 2HB CYS 77 -4.831 -2.172 -5.089 577 HG CYS 77 HG CYS 77 -6.963 -2.247 -6.982 578 H SER 78 H SER 78 -1.825 -1.728 -7.167 579 HA SER 78 HA SER 78 -1.755 -0.971 -9.953 580 HB2 SER 78 1HB SER 78 0.173 -1.620 -7.901 581 HB3 SER 78 2HB SER 78 0.510 -2.534 -9.371 582 HG SER 78 HG SER 78 0.888 0.090 -8.869 583 HA PRO 79 HA PRO 79 -2.671 -4.801 -11.883 584 HB2 PRO 79 1HB PRO 79 -0.719 -5.075 -13.749 585 HB3 PRO 79 2HB PRO 79 -2.015 -3.881 -13.883 586 HG2 PRO 79 1HG PRO 79 0.804 -3.520 -12.942 587 HG3 PRO 79 2HG PRO 79 -0.160 -2.483 -14.009 588 HD2 PRO 79 1HD PRO 79 0.210 -1.929 -11.384 589 HD3 PRO 79 2HD PRO 79 -1.279 -1.500 -12.250 590 H ASP 80 H ASP 80 0.585 -4.450 -10.637 591 HA ASP 80 HA ASP 80 1.455 -7.104 -10.912 592 HB2 ASP 80 1HB ASP 80 2.989 -5.282 -10.367 593 HB3 ASP 80 2HB ASP 80 2.191 -5.053 -8.813 594 H TYR 81 H TYR 81 -0.680 -5.589 -8.625 595 HA TYR 81 HA TYR 81 -0.775 -8.069 -7.045 596 HB2 TYR 81 1HB TYR 81 -1.175 -5.203 -6.385 597 HB3 TYR 81 2HB TYR 81 -2.205 -6.357 -5.546 598 HD1 TYR 81 HD2 TYR 81 1.293 -6.950 -6.607 599 HD2 TYR 81 HD1 TYR 81 -1.333 -6.150 -3.357 600 HE1 TYR 81 HE2 TYR 81 3.117 -7.421 -5.026 601 HE2 TYR 81 HE1 TYR 81 0.484 -6.618 -1.766 602 HH TYR 81 HH TYR 81 3.720 -7.557 -2.898 603 H ALA 82 H ALA 82 -2.153 -7.245 -9.666 604 HA ALA 82 HA ALA 82 -4.725 -8.388 -8.963 605 HB1 ALA 82 1HB ALA 82 -4.711 -5.804 -10.496 606 HB2 ALA 82 2HB ALA 82 -6.084 -6.656 -9.790 607 HB3 ALA 82 3HB ALA 82 -4.906 -5.863 -8.744 608 H TYR 83 H TYR 83 -6.059 -7.975 -11.336 609 HA TYR 83 HA TYR 83 -4.487 -9.646 -13.133 610 HB2 TYR 83 1HB TYR 83 -6.727 -9.755 -14.382 611 HB3 TYR 83 2HB TYR 83 -6.643 -10.525 -12.802 612 HD1 TYR 83 HD2 TYR 83 -7.403 -7.124 -14.172 613 HD2 TYR 83 HD1 TYR 83 -8.475 -10.212 -11.448 614 HE1 TYR 83 HE2 TYR 83 -9.329 -5.789 -13.426 615 HE2 TYR 83 HE1 TYR 83 -10.405 -8.886 -10.695 616 HH TYR 83 HH TYR 83 -11.814 -7.093 -11.452 617 H GLY 84 H GLY 84 -4.287 -6.592 -12.720 618 HA2 GLY 84 1HA GLY 84 -5.097 -5.386 -15.163 619 HA3 GLY 84 2HA GLY 84 -3.945 -4.722 -14.014 620 H SER 85 H SER 85 -2.342 -7.277 -14.271 621 HA SER 85 HA SER 85 -0.374 -6.413 -15.978 622 HB2 SER 85 1HB SER 85 -0.074 -8.247 -14.358 623 HB3 SER 85 2HB SER 85 -1.074 -9.295 -15.363 624 HG SER 85 HG SER 85 1.344 -8.071 -16.206 625 H ARG 86 H ARG 86 -2.418 -9.212 -16.802 626 HA ARG 86 HA ARG 86 -1.861 -9.004 -19.575 627 HB2 ARG 86 1HB ARG 86 -2.417 -11.155 -18.746 628 HB3 ARG 86 2HB ARG 86 -3.895 -10.566 -17.995 629 HG2 ARG 86 1HG ARG 86 -4.267 -11.908 -20.044 630 HG3 ARG 86 2HG ARG 86 -4.942 -10.279 -20.126 631 HD2 ARG 86 1HD ARG 86 -3.575 -9.667 -21.801 632 HD3 ARG 86 2HD ARG 86 -2.188 -10.501 -21.101 633 HE ARG 86 HE ARG 86 -4.126 -12.295 -22.209 634 HH11 ARG 86 1HH1 ARG 86 -1.414 -10.240 -22.948 635 HH12 ARG 86 2HH1 ARG 86 -0.967 -11.123 -24.370 636 HH21 ARG 86 1HH2 ARG 86 -3.546 -13.465 -24.079 637 HH22 ARG 86 2HH2 ARG 86 -2.180 -12.956 -25.013 638 H GLY 87 H GLY 87 -4.920 -8.498 -17.797 639 HA2 GLY 87 1HA GLY 87 -6.671 -7.066 -18.199 640 HA3 GLY 87 2HA GLY 87 -5.557 -6.100 -19.155 641 H HIS 88 H HIS 88 -7.557 -5.774 -20.443 642 HA HIS 88 HA HIS 88 -7.554 -7.615 -22.676 643 HB2 HIS 88 1HB HIS 88 -9.830 -7.387 -20.776 644 HB3 HIS 88 2HB HIS 88 -10.221 -7.462 -22.492 645 HD1 HIS 88 HD1 HIS 88 -8.284 -9.535 -23.509 646 HD2 HIS 88 HD2 HIS 88 -10.282 -9.900 -19.884 647 HE1 HIS 88 HE1 HIS 88 -8.300 -11.997 -22.995 648 HA PRO 89 HA PRO 89 -8.265 -3.960 -24.996 649 HB2 PRO 89 1HB PRO 89 -9.689 -4.908 -27.103 650 HB3 PRO 89 2HB PRO 89 -7.965 -5.231 -26.886 651 HG2 PRO 89 1HG PRO 89 -10.314 -6.973 -26.246 652 HG3 PRO 89 2HG PRO 89 -8.773 -7.408 -27.008 653 HD2 PRO 89 1HD PRO 89 -9.289 -7.882 -24.393 654 HD3 PRO 89 2HD PRO 89 -7.660 -7.510 -24.992 655 H GLY 90 H GLY 90 -9.579 -2.402 -24.270 656 HA2 GLY 90 1HA GLY 90 -11.544 -1.162 -24.190 657 HA3 GLY 90 2HA GLY 90 -12.409 -2.541 -24.853 658 H VAL 91 H VAL 91 -10.530 -3.524 -22.271 659 HA VAL 91 HA VAL 91 -12.728 -3.116 -20.354 660 HB VAL 91 HB VAL 91 -11.146 -5.673 -20.631 661 HG11 VAL 91 1HG1 VAL 91 -13.644 -5.850 -19.208 662 HG12 VAL 91 2HG1 VAL 91 -12.019 -6.291 -18.681 663 HG13 VAL 91 3HG1 VAL 91 -12.594 -4.635 -18.480 664 HG21 VAL 91 3HG2 VAL 91 -13.481 -6.546 -21.314 665 HG22 VAL 91 1HG2 VAL 91 -13.824 -4.858 -21.696 666 HG23 VAL 91 2HG2 VAL 91 -12.507 -5.698 -22.515 667 H ILE 92 H ILE 92 -9.397 -4.390 -20.516 668 HA ILE 92 HA ILE 92 -8.702 -2.636 -18.264 669 HB ILE 92 HB ILE 92 -7.927 -5.547 -18.491 670 HG12 ILE 92 1HG1 ILE 92 -9.644 -4.105 -16.458 671 HG13 ILE 92 2HG1 ILE 92 -10.237 -5.187 -17.713 672 HG21 ILE 92 1HG2 ILE 92 -7.226 -3.568 -16.329 673 HG22 ILE 92 2HG2 ILE 92 -6.715 -5.252 -16.435 674 HG23 ILE 92 3HG2 ILE 92 -6.131 -4.078 -17.614 675 HD11 ILE 92 3HD1 ILE 92 -10.098 -6.216 -15.468 676 HD12 ILE 92 1HD1 ILE 92 -9.151 -7.057 -16.695 677 HD13 ILE 92 2HD1 ILE 92 -8.348 -6.010 -15.525 678 HA PRO 93 HA PRO 93 -5.342 -1.567 -20.932 679 HB2 PRO 93 1HB PRO 93 -3.861 -0.207 -19.108 680 HB3 PRO 93 2HB PRO 93 -5.330 0.453 -19.837 681 HG2 PRO 93 1HG PRO 93 -4.961 -0.848 -17.166 682 HG3 PRO 93 2HG PRO 93 -5.894 0.601 -17.586 683 HD2 PRO 93 1HD PRO 93 -7.050 -1.820 -17.215 684 HD3 PRO 93 2HD PRO 93 -7.685 -0.624 -18.364 685 HA PRO 94 HA PRO 94 -2.137 -4.513 -20.292 686 HB2 PRO 94 1HB PRO 94 -0.028 -3.250 -21.444 687 HB3 PRO 94 2HB PRO 94 -1.360 -3.942 -22.377 688 HG2 PRO 94 1HG PRO 94 -0.891 -1.099 -21.568 689 HG3 PRO 94 2HG PRO 94 -1.440 -1.742 -23.126 690 HD2 PRO 94 1HD PRO 94 -3.141 -0.672 -21.311 691 HD3 PRO 94 2HD PRO 94 -3.613 -1.993 -22.400 692 H ASN 95 H ASN 95 -1.765 -4.654 -18.102 693 HA ASN 95 HA ASN 95 -0.801 -4.286 -16.066 694 HB2 ASN 95 1HB ASN 95 1.631 -3.242 -17.467 695 HB3 ASN 95 2HB ASN 95 1.520 -4.339 -16.095 696 HD21 ASN 95 2HD2 ASN 95 1.228 -4.047 -19.560 697 HD22 ASN 95 1HD2 ASN 95 1.382 -5.732 -19.911 698 H ALA 96 H ALA 96 -2.434 -2.356 -16.185 699 HA ALA 96 HA ALA 96 -0.911 0.075 -15.521 700 HB1 ALA 96 1HB ALA 96 -2.113 1.393 -16.882 701 HB2 ALA 96 2HB ALA 96 -2.462 -0.108 -17.740 702 HB3 ALA 96 3HB ALA 96 -3.615 0.525 -16.566 703 H THR 97 H THR 97 -1.770 1.374 -13.869 704 HA THR 97 HA THR 97 -2.901 0.061 -11.703 705 HB THR 97 HB THR 97 -3.339 3.006 -12.046 706 HG1 THR 97 HG1 THR 97 -1.055 3.140 -11.274 707 HG21 THR 97 3HG2 THR 97 -2.568 2.969 -9.658 708 HG22 THR 97 1HG2 THR 97 -2.541 1.209 -9.758 709 HG23 THR 97 2HG2 THR 97 -4.061 2.080 -9.961 710 H LEU 98 H LEU 98 -4.951 -0.085 -10.846 711 HA LEU 98 HA LEU 98 -7.171 0.968 -12.453 712 HB2 LEU 98 1HB LEU 98 -7.215 -1.796 -11.277 713 HB3 LEU 98 2HB LEU 98 -8.338 -1.083 -12.433 714 HG LEU 98 HG LEU 98 -5.463 -1.760 -13.046 715 HD11 LEU 98 1HD1 LEU 98 -6.732 -3.782 -12.567 716 HD12 LEU 98 2HD1 LEU 98 -6.363 -3.662 -14.287 717 HD13 LEU 98 3HD1 LEU 98 -7.983 -3.279 -13.704 718 HD21 LEU 98 3HD2 LEU 98 -7.594 -1.372 -15.088 719 HD22 LEU 98 1HD2 LEU 98 -5.855 -1.095 -15.199 720 HD23 LEU 98 2HD2 LEU 98 -6.877 0.052 -14.332 721 H THR 99 H THR 99 -9.054 1.444 -11.314 722 HA THR 99 HA THR 99 -8.842 1.271 -8.379 723 HB THR 99 HB THR 99 -10.029 3.569 -9.948 724 HG1 THR 99 HG1 THR 99 -8.203 4.700 -9.239 725 HG21 THR 99 3HG2 THR 99 -9.528 4.290 -7.284 726 HG22 THR 99 1HG2 THR 99 -10.322 2.718 -7.213 727 HG23 THR 99 2HG2 THR 99 -11.098 4.061 -8.054 728 H PHE 100 H PHE 100 -10.240 -0.343 -7.930 729 HA PHE 100 HA PHE 100 -12.897 -0.287 -9.175 730 HB2 PHE 100 1HB PHE 100 -11.471 -2.469 -7.640 731 HB3 PHE 100 2HB PHE 100 -13.116 -2.599 -8.255 732 HD1 PHE 100 HD1 PHE 100 -9.570 -2.381 -9.184 733 HD2 PHE 100 HD2 PHE 100 -13.548 -2.990 -10.568 734 HE1 PHE 100 HE1 PHE 100 -8.694 -3.182 -11.340 735 HE2 PHE 100 HE2 PHE 100 -12.679 -3.792 -12.725 736 HZ PHE 100 HZ PHE 100 -10.249 -3.889 -13.113 737 H ASP 101 H ASP 101 -14.530 0.542 -8.069 738 HA ASP 101 HA ASP 101 -14.275 1.335 -5.346 739 HB2 ASP 101 1HB ASP 101 -16.268 1.606 -7.489 740 HB3 ASP 101 2HB ASP 101 -16.959 1.511 -5.872 741 H VAL 102 H VAL 102 -14.413 0.027 -3.658 742 HA VAL 102 HA VAL 102 -16.096 -2.379 -3.857 743 HB VAL 102 HB VAL 102 -13.813 -1.806 -1.963 744 HG11 VAL 102 1HG1 VAL 102 -14.645 -3.426 -0.693 745 HG12 VAL 102 2HG1 VAL 102 -15.955 -3.708 -1.841 746 HG13 VAL 102 3HG1 VAL 102 -14.415 -4.547 -2.035 747 HG21 VAL 102 3HG2 VAL 102 -14.013 -3.549 -4.412 748 HG22 VAL 102 1HG2 VAL 102 -12.945 -2.170 -4.155 749 HG23 VAL 102 2HG2 VAL 102 -12.702 -3.656 -3.237 750 H GLU 103 H GLU 103 -17.807 -2.634 -2.554 751 HA GLU 103 HA GLU 103 -18.114 -0.791 -0.279 752 HB2 GLU 103 1HB GLU 103 -19.533 0.031 -2.054 753 HB3 GLU 103 2HB GLU 103 -20.212 -1.570 -2.307 754 HG2 GLU 103 1HG GLU 103 -21.200 -1.490 -0.063 755 HG3 GLU 103 2HG GLU 103 -20.552 0.135 0.150 756 H LEU 104 H LEU 104 -18.051 -1.985 1.503 757 HA LEU 104 HA LEU 104 -18.559 -4.760 1.592 758 HB2 LEU 104 1HB LEU 104 -17.268 -3.084 3.206 759 HB3 LEU 104 2HB LEU 104 -18.806 -3.140 4.065 760 HG LEU 104 HG LEU 104 -17.466 -4.745 5.116 761 HD11 LEU 104 1HD1 LEU 104 -18.910 -6.447 3.114 762 HD12 LEU 104 2HD1 LEU 104 -19.777 -5.484 4.309 763 HD13 LEU 104 3HD1 LEU 104 -18.652 -6.736 4.835 764 HD21 LEU 104 3HD2 LEU 104 -15.662 -5.565 4.123 765 HD22 LEU 104 1HD2 LEU 104 -16.204 -4.921 2.573 766 HD23 LEU 104 2HD2 LEU 104 -16.687 -6.543 3.071 767 H LEU 105 H LEU 105 -20.367 -5.900 1.942 768 HA LEU 105 HA LEU 105 -22.830 -4.398 2.534 769 HB2 LEU 105 1HB LEU 105 -22.206 -6.617 0.688 770 HB3 LEU 105 2HB LEU 105 -23.755 -6.711 1.524 771 HG LEU 105 HG LEU 105 -24.019 -5.712 -0.671 772 HD11 LEU 105 1HD1 LEU 105 -24.305 -3.478 1.309 773 HD12 LEU 105 2HD1 LEU 105 -25.313 -4.923 1.393 774 HD13 LEU 105 3HD1 LEU 105 -25.353 -3.903 -0.045 775 HD21 LEU 105 3HD2 LEU 105 -21.956 -4.757 -1.194 776 HD22 LEU 105 1HD2 LEU 105 -21.890 -3.842 0.313 777 HD23 LEU 105 2HD2 LEU 105 -23.016 -3.366 -0.959 778 H ARG 106 H ARG 106 -20.928 -7.245 3.296 779 HA ARG 106 HA ARG 106 -21.796 -7.399 5.945 780 HB2 ARG 106 1HB ARG 106 -23.072 -9.609 5.721 781 HB3 ARG 106 2HB ARG 106 -23.928 -8.134 5.292 782 HG2 ARG 106 1HG ARG 106 -24.082 -8.693 3.112 783 HG3 ARG 106 2HG ARG 106 -22.515 -9.503 3.096 784 HD2 ARG 106 1HD ARG 106 -23.941 -11.291 2.859 785 HD3 ARG 106 2HD ARG 106 -23.734 -11.250 4.609 786 HE ARG 106 HE ARG 106 -25.950 -9.672 3.899 787 HH11 ARG 106 1HH1 ARG 106 -24.950 -13.004 4.032 788 HH12 ARG 106 2HH1 ARG 106 -26.554 -13.612 4.275 789 HH21 ARG 106 1HH2 ARG 106 -28.067 -10.460 4.219 790 HH22 ARG 106 2HH2 ARG 106 -28.326 -12.164 4.381 791 H VAL 107 H VAL 107 -21.052 -9.418 7.032 792 HA VAL 107 HA VAL 107 -18.874 -10.713 5.525 793 HB VAL 107 HB VAL 107 -17.898 -9.104 7.066 794 HG11 VAL 107 1HG1 VAL 107 -19.715 -8.951 8.674 795 HG12 VAL 107 2HG1 VAL 107 -19.393 -10.598 9.219 796 HG13 VAL 107 3HG1 VAL 107 -18.199 -9.329 9.491 797 HG21 VAL 107 3HG2 VAL 107 -16.441 -10.620 8.327 798 HG22 VAL 107 1HG2 VAL 107 -17.563 -11.946 8.022 799 HG23 VAL 107 2HG2 VAL 107 -16.701 -11.193 6.680 800 H GLU 108 H GLU 108 -18.477 -12.875 5.958 801 HA GLU 108 HA GLU 108 -20.191 -14.226 7.905 802 HB2 GLU 108 1HB GLU 108 -20.125 -14.769 4.947 803 HB3 GLU 108 2HB GLU 108 -20.588 -16.017 6.095 804 HG2 GLU 108 1HG GLU 108 -22.240 -14.176 6.956 805 HG3 GLU 108 2HG GLU 108 -22.006 -13.516 5.339 Start of MODEL 2 1 H1 MET 1 H MET 1 0.759 -1.380 0.924 2 HA MET 1 HA MET 1 1.928 0.567 -0.954 3 HB2 MET 1 1HB MET 1 3.436 -0.693 0.759 4 HB3 MET 1 2HB MET 1 3.225 -2.063 -0.323 5 HG2 MET 1 1HG MET 1 5.225 -1.063 -0.989 6 HG3 MET 1 2HG MET 1 4.034 -0.536 -2.176 7 HE1 MET 1 3HE MET 1 6.312 0.004 0.496 8 HE2 MET 1 1HE MET 1 6.983 1.557 -0.005 9 HE3 MET 1 2HE MET 1 5.823 1.484 1.322 10 H GLY 2 H GLY 2 1.280 0.341 -2.987 11 HA2 GLY 2 1HA GLY 2 0.998 -0.868 -4.998 12 HA3 GLY 2 2HA GLY 2 0.816 -2.342 -4.058 13 H VAL 3 H VAL 3 -1.093 -0.670 -2.294 14 HA VAL 3 HA VAL 3 -3.385 -0.460 -4.091 15 HB VAL 3 HB VAL 3 -3.511 -2.764 -3.362 16 HG11 VAL 3 1HG1 VAL 3 -2.131 -2.407 -1.294 17 HG12 VAL 3 2HG1 VAL 3 -3.585 -1.778 -0.518 18 HG13 VAL 3 3HG1 VAL 3 -3.539 -3.448 -1.084 19 HG21 VAL 3 3HG2 VAL 3 -5.535 -0.999 -3.247 20 HG22 VAL 3 1HG2 VAL 3 -5.730 -2.723 -2.930 21 HG23 VAL 3 2HG2 VAL 3 -5.559 -1.593 -1.587 22 H GLN 4 H GLN 4 -4.680 1.192 -3.567 23 HA GLN 4 HA GLN 4 -4.409 2.359 -0.875 24 HB2 GLN 4 1HB GLN 4 -4.134 3.578 -3.526 25 HB3 GLN 4 2HB GLN 4 -5.221 4.454 -2.457 26 HG2 GLN 4 1HG GLN 4 -3.077 5.398 -2.180 27 HG3 GLN 4 2HG GLN 4 -3.399 4.434 -0.740 28 HE21 GLN 4 2HE2 GLN 4 -1.878 3.076 -0.120 29 HE22 GLN 4 1HE2 GLN 4 -0.572 2.500 -1.094 30 H VAL 5 H VAL 5 -6.260 3.210 0.086 31 HA VAL 5 HA VAL 5 -8.796 2.490 -1.236 32 HB VAL 5 HB VAL 5 -8.417 0.998 0.630 33 HG11 VAL 5 1HG1 VAL 5 -8.602 2.793 2.844 34 HG12 VAL 5 2HG1 VAL 5 -7.333 1.627 2.462 35 HG13 VAL 5 3HG1 VAL 5 -7.245 3.270 1.824 36 HG21 VAL 5 3HG2 VAL 5 -10.430 3.016 1.583 37 HG22 VAL 5 1HG2 VAL 5 -10.707 2.011 0.161 38 HG23 VAL 5 2HG2 VAL 5 -10.474 1.260 1.739 39 H VAL 6 H VAL 6 -10.122 4.133 -1.616 40 HA VAL 6 HA VAL 6 -9.719 6.638 -0.121 41 HB VAL 6 HB VAL 6 -11.071 6.328 -2.802 42 HG11 VAL 6 1HG1 VAL 6 -10.677 8.776 -2.928 43 HG12 VAL 6 2HG1 VAL 6 -11.775 8.306 -1.629 44 HG13 VAL 6 3HG1 VAL 6 -10.103 8.732 -1.261 45 HG21 VAL 6 3HG2 VAL 6 -8.895 5.758 -3.334 46 HG22 VAL 6 1HG2 VAL 6 -8.871 7.510 -3.542 47 HG23 VAL 6 2HG2 VAL 6 -8.207 6.786 -2.077 48 H THR 7 H THR 7 -11.094 6.392 1.589 49 HA THR 7 HA THR 7 -13.569 5.188 1.665 50 HB THR 7 HB THR 7 -12.999 7.714 3.205 51 HG1 THR 7 HG1 THR 7 -12.118 5.101 3.912 52 HG21 THR 7 3HG2 THR 7 -14.770 7.118 4.421 53 HG22 THR 7 1HG2 THR 7 -14.112 5.502 4.674 54 HG23 THR 7 2HG2 THR 7 -15.087 5.843 3.244 55 H LEU 8 H LEU 8 -15.446 5.580 0.705 56 HA LEU 8 HA LEU 8 -15.909 8.248 -0.441 57 HB2 LEU 8 1HB LEU 8 -17.118 5.576 -1.135 58 HB3 LEU 8 2HB LEU 8 -17.575 7.108 -1.878 59 HG LEU 8 HG LEU 8 -14.746 6.124 -2.006 60 HD11 LEU 8 1HD1 LEU 8 -16.882 4.661 -3.000 61 HD12 LEU 8 2HD1 LEU 8 -15.193 4.528 -3.487 62 HD13 LEU 8 3HD1 LEU 8 -16.289 5.574 -4.388 63 HD21 LEU 8 3HD2 LEU 8 -16.316 8.305 -3.110 64 HD22 LEU 8 1HD2 LEU 8 -15.454 7.393 -4.350 65 HD23 LEU 8 2HD2 LEU 8 -14.565 8.109 -3.005 66 H ALA 9 H ALA 9 -17.636 5.593 1.187 67 HA ALA 9 HA ALA 9 -19.298 7.597 2.536 68 HB1 ALA 9 1HB ALA 9 -20.380 5.163 1.121 69 HB2 ALA 9 2HB ALA 9 -21.316 6.245 2.154 70 HB3 ALA 9 3HB ALA 9 -20.621 6.846 0.649 71 H ALA 10 H ALA 10 -18.766 7.311 4.607 72 HA ALA 10 HA ALA 10 -17.712 5.020 5.772 73 HB1 ALA 10 1HB ALA 10 -19.069 7.446 6.860 74 HB2 ALA 10 2HB ALA 10 -18.674 6.107 7.939 75 HB3 ALA 10 3HB ALA 10 -17.395 6.919 7.036 76 H GLY 11 H GLY 11 -18.567 3.336 6.980 77 HA2 GLY 11 1HA GLY 11 -21.496 2.995 6.774 78 HA3 GLY 11 2HA GLY 11 -20.370 1.675 6.493 79 H ASP 12 H ASP 12 -20.399 0.282 8.115 80 HA ASP 12 HA ASP 12 -21.330 0.974 10.723 81 HB2 ASP 12 1HB ASP 12 -21.435 -1.312 9.473 82 HB3 ASP 12 2HB ASP 12 -19.818 -1.549 10.128 83 H GLU 13 H GLU 13 -18.161 0.373 9.292 84 HA GLU 13 HA GLU 13 -16.041 0.633 10.088 85 HB2 GLU 13 1HB GLU 13 -17.464 2.840 11.579 86 HB3 GLU 13 2HB GLU 13 -15.716 2.654 11.556 87 HG2 GLU 13 1HG GLU 13 -15.940 2.734 9.004 88 HG3 GLU 13 2HG GLU 13 -17.555 3.371 9.308 89 H ALA 14 H ALA 14 -17.728 -1.280 11.470 90 HA ALA 14 HA ALA 14 -16.222 -1.405 13.983 91 HB1 ALA 14 1HB ALA 14 -18.938 -0.777 13.886 92 HB2 ALA 14 2HB ALA 14 -18.871 -2.475 14.359 93 HB3 ALA 14 3HB ALA 14 -18.004 -1.263 15.302 94 H THR 15 H THR 15 -18.259 -3.088 11.632 95 HA THR 15 HA THR 15 -17.163 -5.661 12.499 96 HB THR 15 HB THR 15 -19.240 -5.297 10.350 97 HG1 THR 15 HG1 THR 15 -19.646 -4.341 12.637 98 HG21 THR 15 3HG2 THR 15 -17.989 -7.514 10.934 99 HG22 THR 15 1HG2 THR 15 -19.733 -7.534 10.680 100 HG23 THR 15 2HG2 THR 15 -19.080 -7.544 12.319 101 H TYR 16 H TYR 16 -15.264 -6.140 11.595 102 HA TYR 16 HA TYR 16 -14.904 -5.575 8.726 103 HB2 TYR 16 1HB TYR 16 -12.814 -5.850 10.896 104 HB3 TYR 16 2HB TYR 16 -12.468 -5.612 9.186 105 HD1 TYR 16 HD1 TYR 16 -14.212 -4.035 12.074 106 HD2 TYR 16 HD2 TYR 16 -12.305 -3.453 8.315 107 HE1 TYR 16 HE1 TYR 16 -14.333 -1.600 12.397 108 HE2 TYR 16 HE2 TYR 16 -12.420 -1.016 8.628 109 HH TYR 16 HH TYR 16 -13.658 0.396 11.626 110 HA PRO 17 HA PRO 17 -14.571 -9.869 7.876 111 HB2 PRO 17 1HB PRO 17 -12.778 -9.859 5.837 112 HB3 PRO 17 2HB PRO 17 -14.443 -9.295 5.655 113 HG2 PRO 17 1HG PRO 17 -11.940 -7.707 6.075 114 HG3 PRO 17 2HG PRO 17 -13.293 -7.392 4.973 115 HD2 PRO 17 1HD PRO 17 -13.018 -6.114 7.344 116 HD3 PRO 17 2HD PRO 17 -14.604 -6.487 6.638 117 H LYS 18 H LYS 18 -13.535 -11.470 8.878 118 HA LYS 18 HA LYS 18 -10.910 -11.002 10.014 119 HB2 LYS 18 1HB LYS 18 -12.985 -12.226 11.077 120 HB3 LYS 18 2HB LYS 18 -12.341 -13.621 10.221 121 HG2 LYS 18 1HG LYS 18 -10.266 -13.469 11.414 122 HG3 LYS 18 2HG LYS 18 -10.765 -11.953 12.169 123 HD2 LYS 18 1HD LYS 18 -12.511 -13.076 13.387 124 HD3 LYS 18 2HD LYS 18 -12.189 -14.587 12.534 125 HE2 LYS 18 1HE LYS 18 -10.048 -13.232 14.134 126 HE3 LYS 18 2HE LYS 18 -11.240 -14.269 14.916 127 HZ1 LYS 18 3HZ LYS 18 -9.293 -15.030 12.814 128 HZ2 LYS 18 1HZ LYS 18 -10.573 -16.026 13.295 129 HZ3 LYS 18 2HZ LYS 18 -9.369 -15.600 14.405 130 H ALA 19 H ALA 19 -9.064 -12.227 9.607 131 HA ALA 19 HA ALA 19 -8.585 -12.955 6.952 132 HB1 ALA 19 1HB ALA 19 -6.520 -14.091 7.948 133 HB2 ALA 19 2HB ALA 19 -6.708 -12.356 8.210 134 HB3 ALA 19 3HB ALA 19 -7.099 -13.491 9.502 135 H GLY 20 H GLY 20 -9.478 -14.601 5.892 136 HA2 GLY 20 1HA GLY 20 -9.484 -16.968 5.473 137 HA3 GLY 20 2HA GLY 20 -9.523 -17.234 7.210 138 H GLN 21 H GLN 21 -11.603 -14.855 7.034 139 HA GLN 21 HA GLN 21 -13.888 -16.648 6.922 140 HB2 GLN 21 1HB GLN 21 -13.322 -13.984 8.076 141 HB3 GLN 21 2HB GLN 21 -14.968 -14.242 7.515 142 HG2 GLN 21 1HG GLN 21 -14.684 -16.484 8.900 143 HG3 GLN 21 2HG GLN 21 -13.507 -15.496 9.764 144 HE21 GLN 21 2HE2 GLN 21 -14.590 -13.065 9.840 145 HE22 GLN 21 1HE2 GLN 21 -16.101 -13.077 10.677 146 H VAL 22 H VAL 22 -15.885 -15.936 5.816 147 HA VAL 22 HA VAL 22 -15.237 -15.027 3.126 148 HB VAL 22 HB VAL 22 -16.589 -17.034 3.309 149 HG11 VAL 22 1HG1 VAL 22 -17.650 -16.652 5.441 150 HG12 VAL 22 2HG1 VAL 22 -18.552 -15.284 4.785 151 HG13 VAL 22 3HG1 VAL 22 -18.888 -16.920 4.215 152 HG21 VAL 22 3HG2 VAL 22 -16.960 -15.270 1.487 153 HG22 VAL 22 1HG2 VAL 22 -18.201 -16.505 1.700 154 HG23 VAL 22 2HG2 VAL 22 -18.450 -14.884 2.349 155 H ALA 23 H ALA 23 -15.915 -13.157 2.225 156 HA ALA 23 HA ALA 23 -17.759 -11.456 3.756 157 HB1 ALA 23 1HB ALA 23 -14.991 -10.813 2.870 158 HB2 ALA 23 2HB ALA 23 -16.205 -9.533 2.859 159 HB3 ALA 23 3HB ALA 23 -15.831 -10.380 4.360 160 H VAL 24 H VAL 24 -19.086 -10.125 2.546 161 HA VAL 24 HA VAL 24 -18.982 -10.540 -0.372 162 HB VAL 24 HB VAL 24 -21.478 -9.997 1.233 163 HG11 VAL 24 1HG1 VAL 24 -20.958 -9.801 -1.487 164 HG12 VAL 24 2HG1 VAL 24 -21.776 -11.355 -1.304 165 HG13 VAL 24 3HG1 VAL 24 -22.543 -9.878 -0.718 166 HG21 VAL 24 3HG2 VAL 24 -19.998 -12.476 0.832 167 HG22 VAL 24 1HG2 VAL 24 -21.303 -12.104 1.959 168 HG23 VAL 24 2HG2 VAL 24 -21.677 -12.577 0.301 169 H VAL 25 H VAL 25 -18.707 -8.776 -1.564 170 HA VAL 25 HA VAL 25 -19.710 -6.201 -0.611 171 HB VAL 25 HB VAL 25 -17.698 -5.035 -0.800 172 HG11 VAL 25 1HG1 VAL 25 -16.654 -7.634 0.272 173 HG12 VAL 25 2HG1 VAL 25 -16.302 -5.991 0.810 174 HG13 VAL 25 3HG1 VAL 25 -17.880 -6.708 1.137 175 HG21 VAL 25 3HG2 VAL 25 -15.599 -6.261 -1.662 176 HG22 VAL 25 1HG2 VAL 25 -16.743 -7.403 -2.368 177 HG23 VAL 25 2HG2 VAL 25 -16.790 -5.703 -2.837 178 H HIS 26 H HIS 26 -19.323 -4.484 -2.382 179 HA HIS 26 HA HIS 26 -19.948 -5.723 -4.978 180 HB2 HIS 26 1HB HIS 26 -21.028 -3.365 -3.545 181 HB3 HIS 26 2HB HIS 26 -20.831 -3.192 -5.286 182 HD1 HIS 26 HD1 HIS 26 -21.837 -5.620 -6.513 183 HD2 HIS 26 HD2 HIS 26 -23.548 -4.150 -3.024 184 HE1 HIS 26 HE1 HIS 26 -24.144 -6.618 -6.423 185 H TYR 27 H TYR 27 -18.553 -5.447 -6.586 186 HA TYR 27 HA TYR 27 -16.460 -3.407 -6.280 187 HB2 TYR 27 1HB TYR 27 -15.077 -4.754 -7.707 188 HB3 TYR 27 2HB TYR 27 -15.771 -5.811 -6.482 189 HD1 TYR 27 HD2 TYR 27 -15.762 -4.925 -10.037 190 HD2 TYR 27 HD1 TYR 27 -17.403 -7.504 -7.078 191 HE1 TYR 27 HE2 TYR 27 -16.625 -6.398 -11.808 192 HE2 TYR 27 HE1 TYR 27 -18.269 -8.985 -8.840 193 HH TYR 27 HH TYR 27 -17.394 -8.576 -12.177 194 H THR 28 H THR 28 -16.283 -1.772 -7.684 195 HA THR 28 HA THR 28 -17.880 -1.881 -10.158 196 HB THR 28 HB THR 28 -17.520 0.525 -8.361 197 HG1 THR 28 HG1 THR 28 -19.663 0.231 -7.873 198 HG21 THR 28 3HG2 THR 28 -18.087 0.346 -11.150 199 HG22 THR 28 1HG2 THR 28 -18.017 1.782 -10.130 200 HG23 THR 28 2HG2 THR 28 -19.536 0.905 -10.315 201 H GLY 29 H GLY 29 -16.770 -1.487 -11.964 202 HA2 GLY 29 1HA GLY 29 -13.980 -1.051 -11.935 203 HA3 GLY 29 2HA GLY 29 -15.015 -0.974 -13.354 204 H THR 30 H THR 30 -12.727 0.717 -12.324 205 HA THR 30 HA THR 30 -13.754 3.222 -13.195 206 HB THR 30 HB THR 30 -12.725 3.908 -10.620 207 HG1 THR 30 HG1 THR 30 -14.256 2.893 -9.303 208 HG21 THR 30 3HG2 THR 30 -14.556 5.308 -10.552 209 HG22 THR 30 1HG2 THR 30 -15.613 4.141 -11.346 210 HG23 THR 30 2HG2 THR 30 -14.415 5.028 -12.288 211 H LEU 31 H LEU 31 -12.138 4.526 -13.900 212 HA LEU 31 HA LEU 31 -9.410 3.517 -13.571 213 HB2 LEU 31 1HB LEU 31 -10.737 5.317 -15.566 214 HB3 LEU 31 2HB LEU 31 -8.981 5.257 -15.423 215 HG LEU 31 HG LEU 31 -10.787 2.949 -16.146 216 HD11 LEU 31 1HD1 LEU 31 -10.058 3.179 -18.343 217 HD12 LEU 31 2HD1 LEU 31 -8.708 4.219 -17.890 218 HD13 LEU 31 3HD1 LEU 31 -10.357 4.840 -17.832 219 HD21 LEU 31 3HD2 LEU 31 -7.925 3.134 -15.407 220 HD22 LEU 31 1HD2 LEU 31 -8.339 2.098 -16.774 221 HD23 LEU 31 2HD2 LEU 31 -9.071 1.809 -15.195 222 H ALA 32 H ALA 32 -7.648 5.065 -13.284 223 HA ALA 32 HA ALA 32 -8.004 6.705 -11.052 224 HB1 ALA 32 1HB ALA 32 -5.808 6.319 -11.130 225 HB2 ALA 32 2HB ALA 32 -5.831 6.043 -12.872 226 HB3 ALA 32 3HB ALA 32 -5.726 7.687 -12.241 227 H ASP 33 H ASP 33 -8.521 7.334 -14.397 228 HA ASP 33 HA ASP 33 -8.376 10.209 -14.149 229 HB2 ASP 33 1HB ASP 33 -9.364 8.455 -16.407 230 HB3 ASP 33 2HB ASP 33 -9.185 10.205 -16.495 231 H GLY 34 H GLY 34 -10.678 7.806 -13.511 232 HA2 GLY 34 1HA GLY 34 -12.661 8.495 -12.278 233 HA3 GLY 34 2HA GLY 34 -12.786 9.868 -13.369 234 H LYS 35 H LYS 35 -11.995 7.813 -15.557 235 HA LYS 35 HA LYS 35 -14.483 7.466 -16.696 236 HB2 LYS 35 1HB LYS 35 -12.028 7.053 -17.595 237 HB3 LYS 35 2HB LYS 35 -12.397 5.385 -17.178 238 HG2 LYS 35 1HG LYS 35 -13.100 5.386 -19.333 239 HG3 LYS 35 2HG LYS 35 -14.595 5.911 -18.554 240 HD2 LYS 35 1HD LYS 35 -12.679 8.037 -19.296 241 HD3 LYS 35 2HD LYS 35 -13.478 7.200 -20.629 242 HE2 LYS 35 1HE LYS 35 -15.610 7.627 -19.103 243 HE3 LYS 35 2HE LYS 35 -14.615 8.963 -18.528 244 HZ1 LYS 35 3HZ LYS 35 -14.700 8.684 -21.400 245 HZ2 LYS 35 1HZ LYS 35 -14.860 10.068 -20.441 246 HZ3 LYS 35 2HZ LYS 35 -16.193 9.059 -20.698 247 H VAL 36 H VAL 36 -16.186 6.414 -15.927 248 HA VAL 36 HA VAL 36 -15.968 4.324 -13.988 249 HB VAL 36 HB VAL 36 -17.877 5.971 -14.150 250 HG11 VAL 36 1HG1 VAL 36 -19.702 5.459 -15.674 251 HG12 VAL 36 2HG1 VAL 36 -18.222 5.799 -16.574 252 HG13 VAL 36 3HG1 VAL 36 -18.770 4.134 -16.370 253 HG21 VAL 36 3HG2 VAL 36 -17.798 3.365 -13.238 254 HG22 VAL 36 1HG2 VAL 36 -19.028 4.568 -12.852 255 HG23 VAL 36 2HG2 VAL 36 -19.291 3.432 -14.175 256 H PHE 37 H PHE 37 -16.282 2.147 -14.210 257 HA PHE 37 HA PHE 37 -16.522 1.129 -16.965 258 HB2 PHE 37 1HB PHE 37 -14.583 0.495 -14.822 259 HB3 PHE 37 2HB PHE 37 -15.215 -0.885 -15.715 260 HD1 PHE 37 HD1 PHE 37 -13.679 2.463 -16.250 261 HD2 PHE 37 HD2 PHE 37 -14.232 -1.496 -17.712 262 HE1 PHE 37 HE1 PHE 37 -12.082 2.914 -18.066 263 HE2 PHE 37 HE2 PHE 37 -12.635 -1.052 -19.529 264 HZ PHE 37 HZ PHE 37 -11.556 1.155 -19.708 265 H ASP 38 H ASP 38 -16.889 -1.469 -16.643 266 HA ASP 38 HA ASP 38 -19.559 -1.740 -15.897 267 HB2 ASP 38 1HB ASP 38 -17.809 -3.296 -17.253 268 HB3 ASP 38 2HB ASP 38 -17.894 -4.181 -15.732 269 H SER 39 H SER 39 -20.597 -2.277 -14.057 270 HA SER 39 HA SER 39 -18.946 -2.885 -11.692 271 HB2 SER 39 1HB SER 39 -19.978 -1.288 -10.437 272 HB3 SER 39 2HB SER 39 -20.251 -0.540 -12.011 273 HG SER 39 HG SER 39 -22.260 -0.629 -11.341 274 H SER 40 H SER 40 -19.757 -4.360 -10.218 275 HA SER 40 HA SER 40 -21.578 -6.295 -11.286 276 HB2 SER 40 1HB SER 40 -19.555 -6.272 -9.323 277 HB3 SER 40 2HB SER 40 -21.045 -6.693 -8.479 278 HG SER 40 HG SER 40 -20.650 -8.609 -9.253 279 H ARG 41 H ARG 41 -21.784 -3.647 -9.044 280 HA ARG 41 HA ARG 41 -24.172 -4.407 -7.732 281 HB2 ARG 41 1HB ARG 41 -24.329 -1.965 -7.164 282 HB3 ARG 41 2HB ARG 41 -22.807 -2.728 -6.724 283 HG2 ARG 41 1HG ARG 41 -21.653 -1.684 -8.488 284 HG3 ARG 41 2HG ARG 41 -23.152 -1.200 -9.284 285 HD2 ARG 41 1HD ARG 41 -23.579 0.111 -7.076 286 HD3 ARG 41 2HD ARG 41 -21.838 -0.059 -6.853 287 HE ARG 41 HE ARG 41 -21.544 1.562 -8.425 288 HH11 ARG 41 1HH1 ARG 41 -24.703 0.164 -8.858 289 HH12 ARG 41 2HH1 ARG 41 -25.166 1.275 -10.105 290 HH21 ARG 41 1HH2 ARG 41 -22.142 3.030 -10.065 291 HH22 ARG 41 2HH2 ARG 41 -23.709 2.904 -10.791 292 H THR 42 H THR 42 -23.523 -3.068 -10.840 293 HA THR 42 HA THR 42 -25.843 -1.687 -11.432 294 HB THR 42 HB THR 42 -24.230 -3.465 -13.271 295 HG1 THR 42 HG1 THR 42 -24.120 -0.656 -13.260 296 HG21 THR 42 3HG2 THR 42 -26.484 -1.563 -13.765 297 HG22 THR 42 1HG2 THR 42 -26.170 -3.140 -14.489 298 HG23 THR 42 2HG2 THR 42 -25.212 -1.741 -14.973 299 H ARG 43 H ARG 43 -25.275 -5.156 -11.359 300 HA ARG 43 HA ARG 43 -28.128 -5.583 -11.966 301 HB2 ARG 43 1HB ARG 43 -25.807 -7.479 -12.374 302 HB3 ARG 43 2HB ARG 43 -27.492 -7.844 -12.716 303 HG2 ARG 43 1HG ARG 43 -27.544 -6.526 -14.589 304 HG3 ARG 43 2HG ARG 43 -26.244 -5.478 -14.019 305 HD2 ARG 43 1HD ARG 43 -25.641 -6.995 -15.927 306 HD3 ARG 43 2HD ARG 43 -24.595 -7.113 -14.512 307 HE ARG 43 HE ARG 43 -26.752 -9.023 -14.556 308 HH11 ARG 43 1HH1 ARG 43 -23.473 -8.354 -15.513 309 HH12 ARG 43 2HH1 ARG 43 -23.032 -10.024 -15.645 310 HH21 ARG 43 1HH2 ARG 43 -26.184 -11.226 -14.725 311 HH22 ARG 43 2HH2 ARG 43 -24.575 -11.657 -15.197 312 H GLY 44 H GLY 44 -26.613 -5.071 -9.369 313 HA2 GLY 44 1HA GLY 44 -26.727 -5.783 -7.190 314 HA3 GLY 44 2HA GLY 44 -28.177 -6.646 -7.681 315 H LYS 45 H LYS 45 -24.919 -7.201 -8.905 316 HA LYS 45 HA LYS 45 -25.040 -9.906 -7.747 317 HB2 LYS 45 1HB LYS 45 -25.012 -9.591 -10.294 318 HB3 LYS 45 2HB LYS 45 -23.337 -9.094 -10.095 319 HG2 LYS 45 1HG LYS 45 -22.715 -11.226 -9.258 320 HG3 LYS 45 2HG LYS 45 -24.400 -11.730 -9.115 321 HD2 LYS 45 1HD LYS 45 -23.517 -10.876 -11.801 322 HD3 LYS 45 2HD LYS 45 -22.822 -12.381 -11.195 323 HE2 LYS 45 1HE LYS 45 -25.461 -12.673 -10.555 324 HE3 LYS 45 2HE LYS 45 -25.551 -11.780 -12.072 325 HZ1 LYS 45 3HZ LYS 45 -24.629 -14.493 -11.568 326 HZ2 LYS 45 1HZ LYS 45 -23.759 -13.613 -12.721 327 HZ3 LYS 45 2HZ LYS 45 -25.421 -13.851 -12.918 328 HA PRO 46 HA PRO 46 -21.585 -7.789 -5.538 329 HB2 PRO 46 1HB PRO 46 -22.091 -8.985 -3.154 330 HB3 PRO 46 2HB PRO 46 -22.908 -7.508 -3.681 331 HG2 PRO 46 1HG PRO 46 -23.869 -10.342 -3.775 332 HG3 PRO 46 2HG PRO 46 -24.749 -8.877 -3.301 333 HD2 PRO 46 1HD PRO 46 -25.021 -10.014 -5.744 334 HD3 PRO 46 2HD PRO 46 -25.155 -8.263 -5.485 335 H PHE 47 H PHE 47 -19.591 -8.629 -5.033 336 HA PHE 47 HA PHE 47 -19.200 -11.449 -5.688 337 HB2 PHE 47 1HB PHE 47 -17.850 -9.467 -6.691 338 HB3 PHE 47 2HB PHE 47 -16.980 -9.496 -5.160 339 HD1 PHE 47 HD1 PHE 47 -18.036 -11.764 -7.920 340 HD2 PHE 47 HD2 PHE 47 -15.126 -10.844 -4.954 341 HE1 PHE 47 HE1 PHE 47 -16.596 -13.564 -8.780 342 HE2 PHE 47 HE2 PHE 47 -13.680 -12.641 -5.810 343 HZ PHE 47 HZ PHE 47 -14.414 -14.003 -7.726 344 H ARG 48 H ARG 48 -18.830 -12.939 -4.188 345 HA ARG 48 HA ARG 48 -17.967 -12.047 -1.514 346 HB2 ARG 48 1HB ARG 48 -19.259 -13.927 -0.581 347 HB3 ARG 48 2HB ARG 48 -20.282 -12.789 -1.448 348 HG2 ARG 48 1HG ARG 48 -20.952 -14.337 -2.900 349 HG3 ARG 48 2HG ARG 48 -19.313 -14.945 -3.140 350 HD2 ARG 48 1HD ARG 48 -19.634 -15.988 -0.784 351 HD3 ARG 48 2HD ARG 48 -21.351 -15.740 -1.099 352 HE ARG 48 HE ARG 48 -21.291 -17.451 -2.628 353 HH11 ARG 48 1HH1 ARG 48 -18.042 -16.523 -1.790 354 HH12 ARG 48 2HH1 ARG 48 -17.310 -17.868 -2.601 355 HH21 ARG 48 1HH2 ARG 48 -20.339 -19.225 -3.700 356 HH22 ARG 48 2HH2 ARG 48 -18.617 -19.403 -3.688 357 H PHE 49 H PHE 49 -16.367 -13.182 -0.501 358 HA PHE 49 HA PHE 49 -15.471 -15.746 -1.332 359 HB2 PHE 49 1HB PHE 49 -13.282 -15.103 -2.235 360 HB3 PHE 49 2HB PHE 49 -14.587 -14.463 -3.227 361 HD1 PHE 49 HD1 PHE 49 -15.040 -12.088 -3.311 362 HD2 PHE 49 HD2 PHE 49 -11.870 -13.643 -0.933 363 HE1 PHE 49 HE1 PHE 49 -14.094 -9.826 -3.098 364 HE2 PHE 49 HE2 PHE 49 -10.920 -11.384 -0.716 365 HZ PHE 49 HZ PHE 49 -12.032 -9.472 -1.798 366 H THR 50 H THR 50 -13.193 -16.174 -0.322 367 HA THR 50 HA THR 50 -13.387 -15.329 2.448 368 HB THR 50 HB THR 50 -11.529 -17.317 1.127 369 HG1 THR 50 HG1 THR 50 -13.050 -18.742 1.553 370 HG21 THR 50 3HG2 THR 50 -10.319 -16.921 3.004 371 HG22 THR 50 1HG2 THR 50 -11.517 -17.990 3.732 372 HG23 THR 50 2HG2 THR 50 -11.693 -16.241 3.876 373 H VAL 51 H VAL 51 -12.400 -13.536 3.090 374 HA VAL 51 HA VAL 51 -10.412 -12.184 1.622 375 HB VAL 51 HB VAL 51 -10.928 -11.853 4.575 376 HG11 VAL 51 1HG1 VAL 51 -9.620 -10.229 2.447 377 HG12 VAL 51 2HG1 VAL 51 -10.450 -9.401 3.766 378 HG13 VAL 51 3HG1 VAL 51 -9.124 -10.511 4.115 379 HG21 VAL 51 3HG2 VAL 51 -12.554 -11.038 2.211 380 HG22 VAL 51 1HG2 VAL 51 -13.076 -11.629 3.789 381 HG23 VAL 51 2HG2 VAL 51 -12.486 -9.976 3.618 382 H GLY 52 H GLY 52 -8.539 -13.236 1.210 383 HA2 GLY 52 1HA GLY 52 -6.283 -13.319 2.322 384 HA3 GLY 52 2HA GLY 52 -7.069 -14.326 3.529 385 H ARG 53 H ARG 53 -8.656 -15.420 1.076 386 HA ARG 53 HA ARG 53 -6.954 -17.703 0.710 387 HB2 ARG 53 1HB ARG 53 -9.717 -16.935 -0.105 388 HB3 ARG 53 2HB ARG 53 -8.916 -18.213 -1.009 389 HG2 ARG 53 1HG ARG 53 -9.178 -18.244 1.984 390 HG3 ARG 53 2HG ARG 53 -10.372 -18.958 0.898 391 HD2 ARG 53 1HD ARG 53 -8.261 -20.150 -0.114 392 HD3 ARG 53 2HD ARG 53 -7.572 -19.804 1.472 393 HE ARG 53 HE ARG 53 -8.891 -21.447 2.354 394 HH11 ARG 53 1HH1 ARG 53 -10.159 -20.534 -0.757 395 HH12 ARG 53 2HH1 ARG 53 -11.345 -21.797 -0.790 396 HH21 ARG 53 1HH2 ARG 53 -10.447 -23.114 2.322 397 HH22 ARG 53 2HH2 ARG 53 -11.508 -23.264 0.963 398 H GLY 54 H GLY 54 -6.728 -18.607 -1.599 399 HA2 GLY 54 1HA GLY 54 -5.423 -16.527 -3.180 400 HA3 GLY 54 2HA GLY 54 -5.233 -18.262 -3.385 401 H GLU 55 H GLU 55 -8.453 -17.147 -3.060 402 HA GLU 55 HA GLU 55 -9.018 -17.916 -5.792 403 HB2 GLU 55 1HB GLU 55 -10.865 -16.952 -3.600 404 HB3 GLU 55 2HB GLU 55 -11.377 -17.598 -5.152 405 HG2 GLU 55 1HG GLU 55 -9.724 -19.157 -3.187 406 HG3 GLU 55 2HG GLU 55 -11.486 -19.185 -3.212 407 H VAL 56 H VAL 56 -8.604 -15.011 -3.969 408 HA VAL 56 HA VAL 56 -9.547 -13.424 -6.267 409 HB VAL 56 HB VAL 56 -9.661 -11.519 -4.595 410 HG11 VAL 56 1HG1 VAL 56 -11.557 -13.133 -5.446 411 HG12 VAL 56 2HG1 VAL 56 -11.578 -13.637 -3.755 412 HG13 VAL 56 3HG1 VAL 56 -11.872 -11.950 -4.178 413 HG21 VAL 56 3HG2 VAL 56 -10.022 -13.407 -2.379 414 HG22 VAL 56 1HG2 VAL 56 -8.357 -13.232 -2.934 415 HG23 VAL 56 2HG2 VAL 56 -9.263 -11.815 -2.403 416 H ILE 57 H ILE 57 -8.412 -11.086 -6.020 417 HA ILE 57 HA ILE 57 -5.566 -11.654 -6.327 418 HB ILE 57 HB ILE 57 -5.456 -9.347 -7.277 419 HG12 ILE 57 1HG1 ILE 57 -8.411 -9.288 -7.555 420 HG13 ILE 57 2HG1 ILE 57 -7.760 -8.866 -5.975 421 HG21 ILE 57 1HG2 ILE 57 -6.717 -9.920 -9.359 422 HG22 ILE 57 2HG2 ILE 57 -5.638 -11.189 -8.783 423 HG23 ILE 57 3HG2 ILE 57 -7.375 -11.316 -8.506 424 HD11 ILE 57 3HD1 ILE 57 -7.484 -7.460 -8.579 425 HD12 ILE 57 1HD1 ILE 57 -7.859 -6.818 -6.981 426 HD13 ILE 57 2HD1 ILE 57 -6.208 -7.297 -7.374 427 H ARG 58 H ARG 58 -3.964 -10.173 -5.450 428 HA ARG 58 HA ARG 58 -4.103 -9.851 -2.715 429 HB2 ARG 58 1HB ARG 58 -2.448 -8.221 -4.651 430 HB3 ARG 58 2HB ARG 58 -2.148 -8.378 -2.926 431 HG2 ARG 58 1HG ARG 58 -2.200 -10.759 -4.749 432 HG3 ARG 58 2HG ARG 58 -0.742 -9.797 -4.496 433 HD2 ARG 58 1HD ARG 58 -2.340 -11.108 -2.300 434 HD3 ARG 58 2HD ARG 58 -0.886 -11.792 -3.026 435 HE ARG 58 HE ARG 58 -0.091 -9.334 -2.206 436 HH11 ARG 58 1HH1 ARG 58 -1.675 -12.006 -0.635 437 HH12 ARG 58 2HH1 ARG 58 -0.999 -11.660 0.923 438 HH21 ARG 58 1HH2 ARG 58 0.805 -8.868 -0.160 439 HH22 ARG 58 2HH2 ARG 58 0.410 -9.874 1.192 440 H GLY 59 H GLY 59 -4.794 -7.459 -5.244 441 HA2 GLY 59 1HA GLY 59 -5.169 -5.194 -3.723 442 HA3 GLY 59 2HA GLY 59 -6.080 -5.554 -5.182 443 H TRP 60 H TRP 60 -7.792 -7.417 -4.679 444 HA TRP 60 HA TRP 60 -9.766 -6.249 -3.092 445 HB2 TRP 60 1HB TRP 60 -9.435 -9.010 -4.240 446 HB3 TRP 60 2HB TRP 60 -10.828 -8.602 -3.241 447 HD1 TRP 60 HD1 TRP 60 -10.380 -5.507 -4.890 448 HE1 TRP 60 HE1 TRP 60 -11.738 -5.322 -7.070 449 HE3 TRP 60 HE3 TRP 60 -11.423 -10.459 -5.620 450 HZ2 TRP 60 HZ2 TRP 60 -13.074 -7.047 -8.861 451 HZ3 TRP 60 HZ3 TRP 60 -12.747 -11.108 -7.590 452 HH2 TRP 60 HH2 TRP 60 -13.555 -9.436 -9.175 453 H ASP 61 H ASP 61 -7.527 -8.897 -2.374 454 HA ASP 61 HA ASP 61 -8.489 -9.761 0.049 455 HB2 ASP 61 1HB ASP 61 -6.361 -10.445 -1.361 456 HB3 ASP 61 2HB ASP 61 -5.539 -9.370 -0.233 457 H GLU 62 H GLU 62 -5.895 -7.330 -0.284 458 HA GLU 62 HA GLU 62 -6.038 -6.498 2.411 459 HB2 GLU 62 1HB GLU 62 -4.863 -5.201 -0.046 460 HB3 GLU 62 2HB GLU 62 -4.727 -4.498 1.559 461 HG2 GLU 62 1HG GLU 62 -3.757 -6.828 2.195 462 HG3 GLU 62 2HG GLU 62 -3.471 -6.967 0.462 463 H GLY 63 H GLY 63 -7.384 -5.135 -0.578 464 HA2 GLY 63 1HA GLY 63 -8.449 -2.779 0.375 465 HA3 GLY 63 2HA GLY 63 -9.180 -3.737 -0.904 466 H VAL 64 H VAL 64 -10.297 -5.819 0.087 467 HA VAL 64 HA VAL 64 -12.496 -4.875 1.585 468 HB VAL 64 HB VAL 64 -12.547 -6.813 -0.010 469 HG11 VAL 64 1HG1 VAL 64 -10.441 -7.787 1.297 470 HG12 VAL 64 2HG1 VAL 64 -11.717 -8.639 2.170 471 HG13 VAL 64 3HG1 VAL 64 -11.572 -8.819 0.421 472 HG21 VAL 64 3HG2 VAL 64 -13.846 -6.573 2.574 473 HG22 VAL 64 1HG2 VAL 64 -14.530 -6.971 0.998 474 HG23 VAL 64 2HG2 VAL 64 -13.813 -8.238 1.994 475 H ALA 65 H ALA 65 -9.536 -6.520 2.476 476 HA ALA 65 HA ALA 65 -10.212 -7.398 5.036 477 HB1 ALA 65 1HB ALA 65 -7.572 -6.480 3.915 478 HB2 ALA 65 2HB ALA 65 -7.757 -7.226 5.502 479 HB3 ALA 65 3HB ALA 65 -8.173 -8.133 4.048 480 H GLN 66 H GLN 66 -9.160 -4.231 3.902 481 HA GLN 66 HA GLN 66 -9.296 -3.182 6.632 482 HB2 GLN 66 1HB GLN 66 -8.218 -1.189 5.745 483 HB3 GLN 66 2HB GLN 66 -7.307 -2.624 5.294 484 HG2 GLN 66 1HG GLN 66 -8.522 -2.538 3.080 485 HG3 GLN 66 2HG GLN 66 -9.084 -0.938 3.561 486 HE21 GLN 66 2HE2 GLN 66 -6.888 -2.424 1.737 487 HE22 GLN 66 1HE2 GLN 66 -5.597 -1.277 1.787 488 H MET 67 H MET 67 -11.655 -3.957 4.992 489 HA MET 67 HA MET 67 -12.976 -1.331 4.815 490 HB2 MET 67 1HB MET 67 -13.424 -3.910 3.340 491 HB3 MET 67 2HB MET 67 -14.697 -2.702 3.449 492 HG2 MET 67 1HG MET 67 -12.008 -1.836 2.536 493 HG3 MET 67 2HG MET 67 -13.015 -2.768 1.429 494 HE1 MET 67 3HE MET 67 -15.387 -2.099 0.694 495 HE2 MET 67 1HE MET 67 -16.007 -1.713 2.299 496 HE3 MET 67 2HE MET 67 -16.151 -0.538 0.992 497 H SER 68 H SER 68 -15.205 -1.212 5.522 498 HA SER 68 HA SER 68 -15.819 -3.161 7.647 499 HB2 SER 68 1HB SER 68 -17.035 -1.198 8.744 500 HB3 SER 68 2HB SER 68 -15.272 -1.132 8.752 501 HG SER 68 HG SER 68 -16.805 0.734 7.918 502 H VAL 69 H VAL 69 -17.966 -3.772 7.938 503 HA VAL 69 HA VAL 69 -19.534 -4.108 5.683 504 HB VAL 69 HB VAL 69 -20.452 -4.057 8.562 505 HG11 VAL 69 1HG1 VAL 69 -22.413 -3.917 7.299 506 HG12 VAL 69 2HG1 VAL 69 -21.781 -4.969 6.031 507 HG13 VAL 69 3HG1 VAL 69 -22.222 -5.643 7.601 508 HG21 VAL 69 3HG2 VAL 69 -18.586 -5.656 7.882 509 HG22 VAL 69 1HG2 VAL 69 -20.007 -6.363 8.651 510 HG23 VAL 69 2HG2 VAL 69 -19.801 -6.477 6.903 511 H GLY 70 H GLY 70 -20.922 -2.870 4.586 512 HA2 GLY 70 1HA GLY 70 -22.498 -1.213 4.180 513 HA3 GLY 70 2HA GLY 70 -22.374 -0.724 5.864 514 H GLN 71 H GLN 71 -19.328 -0.967 4.485 515 HA GLN 71 HA GLN 71 -19.223 1.949 4.147 516 HB2 GLN 71 1HB GLN 71 -17.741 0.678 5.843 517 HB3 GLN 71 2HB GLN 71 -16.821 0.167 4.434 518 HG2 GLN 71 1HG GLN 71 -17.122 2.922 4.146 519 HG3 GLN 71 2HG GLN 71 -16.767 2.666 5.854 520 HE21 GLN 71 2HE2 GLN 71 -15.578 2.474 2.620 521 HE22 GLN 71 1HE2 GLN 71 -13.934 2.120 3.018 522 H ARG 72 H ARG 72 -18.420 2.879 2.308 523 HA ARG 72 HA ARG 72 -17.695 1.056 0.110 524 HB2 ARG 72 1HB ARG 72 -19.929 1.853 -0.317 525 HB3 ARG 72 2HB ARG 72 -19.447 3.514 0.002 526 HG2 ARG 72 1HG ARG 72 -18.361 3.730 -2.017 527 HG3 ARG 72 2HG ARG 72 -18.119 1.991 -2.191 528 HD2 ARG 72 1HD ARG 72 -19.789 2.759 -3.768 529 HD3 ARG 72 2HD ARG 72 -20.533 1.711 -2.560 530 HE ARG 72 HE ARG 72 -20.863 4.249 -1.590 531 HH11 ARG 72 1HH1 ARG 72 -21.712 2.582 -4.526 532 HH12 ARG 72 2HH1 ARG 72 -23.133 3.532 -4.809 533 HH21 ARG 72 1HH2 ARG 72 -22.731 5.507 -1.952 534 HH22 ARG 72 2HH2 ARG 72 -23.711 5.196 -3.344 535 H ALA 73 H ALA 73 -15.918 1.572 -1.038 536 HA ALA 73 HA ALA 73 -14.849 4.252 -1.062 537 HB1 ALA 73 1HB ALA 73 -12.736 3.752 -0.031 538 HB2 ALA 73 2HB ALA 73 -14.031 3.341 1.094 539 HB3 ALA 73 3HB ALA 73 -13.202 2.066 0.201 540 H LYS 74 H LYS 74 -12.767 4.328 -2.339 541 HA LYS 74 HA LYS 74 -13.046 2.551 -4.638 542 HB2 LYS 74 1HB LYS 74 -11.204 4.925 -4.423 543 HB3 LYS 74 2HB LYS 74 -11.825 4.161 -5.880 544 HG2 LYS 74 1HG LYS 74 -14.115 4.914 -5.179 545 HG3 LYS 74 2HG LYS 74 -13.332 5.859 -3.910 546 HD2 LYS 74 1HD LYS 74 -13.568 7.400 -5.632 547 HD3 LYS 74 2HD LYS 74 -11.910 6.831 -5.841 548 HE2 LYS 74 1HE LYS 74 -12.671 6.687 -7.996 549 HE3 LYS 74 2HE LYS 74 -13.059 5.068 -7.415 550 HZ1 LYS 74 3HZ LYS 74 -15.270 6.465 -6.768 551 HZ2 LYS 74 1HZ LYS 74 -15.094 5.533 -8.169 552 HZ3 LYS 74 2HZ LYS 74 -14.819 7.201 -8.223 553 H LEU 75 H LEU 75 -11.637 0.989 -5.127 554 HA LEU 75 HA LEU 75 -9.240 0.733 -3.451 555 HB2 LEU 75 1HB LEU 75 -11.029 -1.091 -3.598 556 HB3 LEU 75 2HB LEU 75 -10.395 -1.406 -5.212 557 HG LEU 75 HG LEU 75 -8.221 -1.970 -4.258 558 HD11 LEU 75 1HD1 LEU 75 -8.194 -0.540 -2.326 559 HD12 LEU 75 2HD1 LEU 75 -8.004 -2.214 -1.804 560 HD13 LEU 75 3HD1 LEU 75 -9.559 -1.404 -1.618 561 HD21 LEU 75 3HD2 LEU 75 -10.155 -3.551 -2.635 562 HD22 LEU 75 1HD2 LEU 75 -8.797 -4.094 -3.620 563 HD23 LEU 75 2HD2 LEU 75 -10.295 -3.576 -4.393 564 H VAL 76 H VAL 76 -7.756 1.980 -4.531 565 HA VAL 76 HA VAL 76 -7.284 1.435 -7.370 566 HB VAL 76 HB VAL 76 -7.407 3.770 -6.891 567 HG11 VAL 76 1HG1 VAL 76 -6.078 3.009 -4.458 568 HG12 VAL 76 2HG1 VAL 76 -5.227 4.347 -5.233 569 HG13 VAL 76 3HG1 VAL 76 -6.941 4.497 -4.843 570 HG21 VAL 76 3HG2 VAL 76 -5.617 4.367 -8.120 571 HG22 VAL 76 1HG2 VAL 76 -4.473 3.632 -6.997 572 HG23 VAL 76 2HG2 VAL 76 -5.312 2.631 -8.182 573 H CYS 77 H CYS 77 -6.079 -0.370 -7.574 574 HA CYS 77 HA CYS 77 -3.507 -0.430 -6.143 575 HB2 CYS 77 1HB CYS 77 -3.664 -2.899 -6.105 576 HB3 CYS 77 2HB CYS 77 -4.952 -2.133 -5.183 577 HG CYS 77 HG CYS 77 -6.985 -2.848 -6.716 578 H SER 78 H SER 78 -1.840 -1.747 -7.257 579 HA SER 78 HA SER 78 -1.791 -1.055 -10.058 580 HB2 SER 78 1HB SER 78 0.459 -2.655 -9.370 581 HB3 SER 78 2HB SER 78 0.404 -0.914 -9.642 582 HG SER 78 HG SER 78 0.443 -0.582 -7.555 583 HA PRO 79 HA PRO 79 -2.727 -4.923 -11.903 584 HB2 PRO 79 1HB PRO 79 -0.778 -5.253 -13.764 585 HB3 PRO 79 2HB PRO 79 -2.066 -4.053 -13.924 586 HG2 PRO 79 1HG PRO 79 0.756 -3.690 -12.994 587 HG3 PRO 79 2HG PRO 79 -0.202 -2.671 -14.084 588 HD2 PRO 79 1HD PRO 79 0.174 -2.060 -11.473 589 HD3 PRO 79 2HD PRO 79 -1.313 -1.640 -12.347 590 H ASP 80 H ASP 80 0.511 -4.561 -10.632 591 HA ASP 80 HA ASP 80 1.387 -7.219 -10.862 592 HB2 ASP 80 1HB ASP 80 2.095 -5.032 -8.904 593 HB3 ASP 80 2HB ASP 80 2.897 -6.601 -8.915 594 H TYR 81 H TYR 81 -0.815 -5.693 -8.661 595 HA TYR 81 HA TYR 81 -0.917 -8.144 -7.035 596 HB2 TYR 81 1HB TYR 81 -1.382 -5.268 -6.426 597 HB3 TYR 81 2HB TYR 81 -2.362 -6.448 -5.563 598 HD1 TYR 81 HD2 TYR 81 1.143 -6.945 -6.640 599 HD2 TYR 81 HD1 TYR 81 -1.479 -6.157 -3.384 600 HE1 TYR 81 HE2 TYR 81 2.995 -7.324 -5.066 601 HE2 TYR 81 HE1 TYR 81 0.366 -6.533 -1.800 602 HH TYR 81 HH TYR 81 2.808 -6.485 -1.774 603 H ALA 82 H ALA 82 -2.258 -7.331 -9.691 604 HA ALA 82 HA ALA 82 -4.828 -8.502 -9.031 605 HB1 ALA 82 1HB ALA 82 -6.178 -6.772 -9.967 606 HB2 ALA 82 2HB ALA 82 -5.122 -6.032 -8.763 607 HB3 ALA 82 3HB ALA 82 -4.757 -5.862 -10.479 608 H TYR 83 H TYR 83 -6.134 -8.088 -11.418 609 HA TYR 83 HA TYR 83 -4.510 -9.719 -13.209 610 HB2 TYR 83 1HB TYR 83 -6.749 -9.851 -14.479 611 HB3 TYR 83 2HB TYR 83 -6.637 -10.664 -12.922 612 HD1 TYR 83 HD2 TYR 83 -7.467 -7.225 -14.150 613 HD2 TYR 83 HD1 TYR 83 -8.503 -10.466 -11.596 614 HE1 TYR 83 HE2 TYR 83 -9.428 -5.968 -13.360 615 HE2 TYR 83 HE1 TYR 83 -10.467 -9.218 -10.799 616 HH TYR 83 HH TYR 83 -11.817 -6.767 -12.291 617 H GLY 84 H GLY 84 -4.376 -6.668 -12.777 618 HA2 GLY 84 1HA GLY 84 -5.202 -5.461 -15.213 619 HA3 GLY 84 2HA GLY 84 -4.069 -4.781 -14.055 620 H SER 85 H SER 85 -2.410 -7.298 -14.323 621 HA SER 85 HA SER 85 -0.470 -6.369 -16.043 622 HB2 SER 85 1HB SER 85 0.191 -8.899 -16.158 623 HB3 SER 85 2HB SER 85 0.260 -8.054 -14.612 624 HG SER 85 HG SER 85 -0.884 -10.208 -14.797 625 H ARG 86 H ARG 86 -2.388 -9.272 -16.806 626 HA ARG 86 HA ARG 86 -1.854 -9.103 -19.582 627 HB2 ARG 86 1HB ARG 86 -3.665 -10.845 -19.760 628 HB3 ARG 86 2HB ARG 86 -2.347 -11.247 -18.667 629 HG2 ARG 86 1HG ARG 86 -3.924 -11.737 -17.182 630 HG3 ARG 86 2HG ARG 86 -4.159 -9.995 -17.020 631 HD2 ARG 86 1HD ARG 86 -6.289 -11.051 -17.410 632 HD3 ARG 86 2HD ARG 86 -5.846 -10.095 -18.824 633 HE ARG 86 HE ARG 86 -5.818 -12.018 -20.055 634 HH11 ARG 86 1HH1 ARG 86 -5.619 -12.843 -16.679 635 HH12 ARG 86 2HH1 ARG 86 -5.759 -14.548 -16.954 636 HH21 ARG 86 1HH2 ARG 86 -6.003 -14.260 -20.430 637 HH22 ARG 86 2HH2 ARG 86 -5.977 -15.353 -19.088 638 H GLY 87 H GLY 87 -4.702 -8.272 -17.628 639 HA2 GLY 87 1HA GLY 87 -6.547 -6.992 -18.103 640 HA3 GLY 87 2HA GLY 87 -5.468 -6.075 -19.143 641 H HIS 88 H HIS 88 -7.559 -5.837 -20.341 642 HA HIS 88 HA HIS 88 -7.618 -7.798 -22.480 643 HB2 HIS 88 1HB HIS 88 -9.869 -7.367 -20.565 644 HB3 HIS 88 2HB HIS 88 -10.254 -7.656 -22.260 645 HD1 HIS 88 HD1 HIS 88 -9.419 -9.983 -23.253 646 HD2 HIS 88 HD2 HIS 88 -9.198 -9.601 -19.122 647 HE1 HIS 88 HE1 HIS 88 -9.145 -12.323 -22.375 648 HA PRO 89 HA PRO 89 -8.336 -4.272 -24.989 649 HB2 PRO 89 1HB PRO 89 -9.792 -5.335 -27.018 650 HB3 PRO 89 2HB PRO 89 -8.065 -5.650 -26.807 651 HG2 PRO 89 1HG PRO 89 -10.409 -7.346 -26.034 652 HG3 PRO 89 2HG PRO 89 -8.880 -7.828 -26.792 653 HD2 PRO 89 1HD PRO 89 -9.360 -8.150 -24.147 654 HD3 PRO 89 2HD PRO 89 -7.739 -7.818 -24.789 655 H GLY 90 H GLY 90 -9.636 -2.672 -24.331 656 HA2 GLY 90 1HA GLY 90 -11.587 -1.420 -24.255 657 HA3 GLY 90 2HA GLY 90 -12.462 -2.803 -24.894 658 H VAL 91 H VAL 91 -10.592 -3.716 -22.268 659 HA VAL 91 HA VAL 91 -12.810 -3.270 -20.383 660 HB VAL 91 HB VAL 91 -11.208 -5.824 -20.545 661 HG11 VAL 91 1HG1 VAL 91 -12.622 -6.675 -18.884 662 HG12 VAL 91 2HG1 VAL 91 -12.241 -5.040 -18.338 663 HG13 VAL 91 3HG1 VAL 91 -13.798 -5.378 -19.095 664 HG21 VAL 91 3HG2 VAL 91 -12.486 -5.958 -22.469 665 HG22 VAL 91 1HG2 VAL 91 -13.537 -6.718 -21.274 666 HG23 VAL 91 2HG2 VAL 91 -13.825 -5.049 -21.768 667 H ILE 92 H ILE 92 -9.473 -4.540 -20.475 668 HA ILE 92 HA ILE 92 -8.820 -2.740 -18.243 669 HB ILE 92 HB ILE 92 -7.959 -5.627 -18.467 670 HG12 ILE 92 1HG1 ILE 92 -9.760 -4.235 -16.472 671 HG13 ILE 92 2HG1 ILE 92 -10.278 -5.374 -17.710 672 HG21 ILE 92 1HG2 ILE 92 -6.215 -4.118 -17.572 673 HG22 ILE 92 2HG2 ILE 92 -7.338 -3.617 -16.308 674 HG23 ILE 92 3HG2 ILE 92 -6.787 -5.291 -16.386 675 HD11 ILE 92 3HD1 ILE 92 -9.075 -7.156 -16.633 676 HD12 ILE 92 1HD1 ILE 92 -8.411 -6.033 -15.446 677 HD13 ILE 92 2HD1 ILE 92 -10.142 -6.372 -15.468 678 HA PRO 93 HA PRO 93 -5.489 -1.586 -20.912 679 HB2 PRO 93 1HB PRO 93 -4.055 -0.171 -19.091 680 HB3 PRO 93 2HB PRO 93 -5.541 0.440 -19.830 681 HG2 PRO 93 1HG PRO 93 -5.142 -0.833 -17.150 682 HG3 PRO 93 2HG PRO 93 -6.116 0.585 -17.581 683 HD2 PRO 93 1HD PRO 93 -7.201 -1.866 -17.199 684 HD3 PRO 93 2HD PRO 93 -7.867 -0.697 -18.357 685 HA PRO 94 HA PRO 94 -2.208 -4.441 -20.241 686 HB2 PRO 94 1HB PRO 94 -0.139 -3.137 -21.419 687 HB3 PRO 94 2HB PRO 94 -1.454 -3.880 -22.337 688 HG2 PRO 94 1HG PRO 94 -1.061 -1.012 -21.571 689 HG3 PRO 94 2HG PRO 94 -1.597 -1.694 -23.118 690 HD2 PRO 94 1HD PRO 94 -3.321 -0.645 -21.313 691 HD3 PRO 94 2HD PRO 94 -3.760 -1.994 -22.380 692 H ASN 95 H ASN 95 -1.818 -4.544 -18.054 693 HA ASN 95 HA ASN 95 -0.854 -4.125 -16.028 694 HB2 ASN 95 1HB ASN 95 1.528 -3.013 -17.470 695 HB3 ASN 95 2HB ASN 95 1.472 -4.078 -16.068 696 HD21 ASN 95 2HD2 ASN 95 1.130 -3.889 -19.537 697 HD22 ASN 95 1HD2 ASN 95 1.348 -5.575 -19.845 698 H ALA 96 H ALA 96 -2.551 -2.263 -16.131 699 HA ALA 96 HA ALA 96 -1.115 0.230 -15.510 700 HB1 ALA 96 1HB ALA 96 -3.845 0.570 -16.530 701 HB2 ALA 96 2HB ALA 96 -2.379 1.490 -16.872 702 HB3 ALA 96 3HB ALA 96 -2.681 -0.031 -17.711 703 H THR 97 H THR 97 -1.881 1.416 -13.781 704 HA THR 97 HA THR 97 -3.047 0.063 -11.658 705 HB THR 97 HB THR 97 -3.205 3.055 -12.028 706 HG1 THR 97 HG1 THR 97 -1.105 3.167 -11.396 707 HG21 THR 97 3HG2 THR 97 -4.393 2.017 -10.089 708 HG22 THR 97 1HG2 THR 97 -3.117 3.143 -9.629 709 HG23 THR 97 2HG2 THR 97 -2.838 1.404 -9.528 710 H LEU 98 H LEU 98 -5.082 -0.300 -10.980 711 HA LEU 98 HA LEU 98 -7.277 0.964 -12.484 712 HB2 LEU 98 1HB LEU 98 -6.846 -1.890 -11.717 713 HB3 LEU 98 2HB LEU 98 -8.487 -1.265 -11.870 714 HG LEU 98 HG LEU 98 -7.232 -0.486 -14.224 715 HD11 LEU 98 1HD1 LEU 98 -5.724 -1.988 -14.870 716 HD12 LEU 98 2HD1 LEU 98 -6.719 -3.337 -14.325 717 HD13 LEU 98 3HD1 LEU 98 -5.660 -2.508 -13.186 718 HD21 LEU 98 3HD2 LEU 98 -8.919 -1.666 -15.214 719 HD22 LEU 98 1HD2 LEU 98 -9.554 -1.559 -13.572 720 HD23 LEU 98 2HD2 LEU 98 -8.759 -3.037 -14.116 721 H THR 99 H THR 99 -9.199 1.380 -11.340 722 HA THR 99 HA THR 99 -8.937 1.254 -8.405 723 HB THR 99 HB THR 99 -10.349 3.449 -9.927 724 HG1 THR 99 HG1 THR 99 -8.362 4.111 -10.280 725 HG21 THR 99 3HG2 THR 99 -9.978 4.578 -7.633 726 HG22 THR 99 1HG2 THR 99 -9.730 2.938 -7.036 727 HG23 THR 99 2HG2 THR 99 -11.265 3.383 -7.782 728 H PHE 100 H PHE 100 -10.261 -0.389 -7.868 729 HA PHE 100 HA PHE 100 -12.927 -0.511 -9.087 730 HB2 PHE 100 1HB PHE 100 -11.505 -2.564 -7.378 731 HB3 PHE 100 2HB PHE 100 -13.048 -2.786 -8.197 732 HD1 PHE 100 HD2 PHE 100 -12.501 -1.604 -10.827 733 HD2 PHE 100 HD1 PHE 100 -10.077 -4.092 -8.368 734 HE1 PHE 100 HE2 PHE 100 -11.323 -2.423 -12.825 735 HE2 PHE 100 HE1 PHE 100 -8.893 -4.915 -10.362 736 HZ PHE 100 HZ PHE 100 -9.517 -4.082 -12.594 737 H ASP 101 H ASP 101 -14.569 0.340 -8.013 738 HA ASP 101 HA ASP 101 -14.336 1.235 -5.319 739 HB2 ASP 101 1HB ASP 101 -15.906 1.964 -7.401 740 HB3 ASP 101 2HB ASP 101 -17.043 0.978 -6.485 741 H VAL 102 H VAL 102 -14.296 -0.136 -3.663 742 HA VAL 102 HA VAL 102 -15.959 -2.552 -3.758 743 HB VAL 102 HB VAL 102 -13.690 -1.827 -1.899 744 HG11 VAL 102 1HG1 VAL 102 -14.455 -3.398 -0.530 745 HG12 VAL 102 2HG1 VAL 102 -15.790 -3.753 -1.629 746 HG13 VAL 102 3HG1 VAL 102 -14.246 -4.584 -1.818 747 HG21 VAL 102 3HG2 VAL 102 -13.874 -3.721 -4.235 748 HG22 VAL 102 1HG2 VAL 102 -12.844 -2.298 -4.083 749 HG23 VAL 102 2HG2 VAL 102 -12.545 -3.715 -3.076 750 H GLU 103 H GLU 103 -17.750 -2.709 -2.579 751 HA GLU 103 HA GLU 103 -18.090 -0.890 -0.287 752 HB2 GLU 103 1HB GLU 103 -19.463 -0.024 -2.056 753 HB3 GLU 103 2HB GLU 103 -20.110 -1.620 -2.408 754 HG2 GLU 103 1HG GLU 103 -21.177 -1.639 -0.182 755 HG3 GLU 103 2HG GLU 103 -20.599 0.007 0.075 756 H LEU 104 H LEU 104 -18.038 -2.120 1.475 757 HA LEU 104 HA LEU 104 -18.607 -4.881 1.533 758 HB2 LEU 104 1HB LEU 104 -17.295 -3.259 3.175 759 HB3 LEU 104 2HB LEU 104 -18.845 -3.266 4.014 760 HG LEU 104 HG LEU 104 -17.597 -4.920 5.085 761 HD11 LEU 104 1HD1 LEU 104 -19.023 -6.555 3.011 762 HD12 LEU 104 2HD1 LEU 104 -19.892 -5.607 4.218 763 HD13 LEU 104 3HD1 LEU 104 -18.802 -6.897 4.727 764 HD21 LEU 104 3HD2 LEU 104 -16.800 -6.696 3.006 765 HD22 LEU 104 1HD2 LEU 104 -15.794 -5.818 4.159 766 HD23 LEU 104 2HD2 LEU 104 -16.222 -5.074 2.618 767 H LEU 105 H LEU 105 -20.450 -5.975 1.785 768 HA LEU 105 HA LEU 105 -22.880 -4.443 2.440 769 HB2 LEU 105 1HB LEU 105 -22.303 -6.565 0.464 770 HB3 LEU 105 2HB LEU 105 -23.864 -6.654 1.278 771 HG LEU 105 HG LEU 105 -24.307 -4.315 0.504 772 HD11 LEU 105 1HD1 LEU 105 -22.957 -3.354 -1.224 773 HD12 LEU 105 2HD1 LEU 105 -21.911 -4.774 -1.263 774 HD13 LEU 105 3HD1 LEU 105 -21.918 -3.723 0.153 775 HD21 LEU 105 3HD2 LEU 105 -23.778 -6.346 -1.662 776 HD22 LEU 105 1HD2 LEU 105 -24.869 -4.964 -1.767 777 HD23 LEU 105 2HD2 LEU 105 -25.219 -6.281 -0.647 778 H ARG 106 H ARG 106 -21.026 -7.342 3.070 779 HA ARG 106 HA ARG 106 -22.107 -7.646 5.665 780 HB2 ARG 106 1HB ARG 106 -23.112 -9.949 5.228 781 HB3 ARG 106 2HB ARG 106 -24.059 -8.560 4.712 782 HG2 ARG 106 1HG ARG 106 -23.170 -8.887 2.412 783 HG3 ARG 106 2HG ARG 106 -22.398 -10.370 2.976 784 HD2 ARG 106 1HD ARG 106 -25.319 -9.958 3.435 785 HD3 ARG 106 2HD ARG 106 -24.751 -10.451 1.840 786 HE ARG 106 HE ARG 106 -23.552 -12.189 3.579 787 HH11 ARG 106 1HH1 ARG 106 -26.830 -11.256 2.871 788 HH12 ARG 106 2HH1 ARG 106 -27.498 -12.800 3.289 789 HH21 ARG 106 1HH2 ARG 106 -24.418 -14.225 4.132 790 HH22 ARG 106 2HH2 ARG 106 -26.125 -14.487 4.007 791 H VAL 107 H VAL 107 -21.361 -9.784 6.662 792 HA VAL 107 HA VAL 107 -19.081 -11.010 5.351 793 HB VAL 107 HB VAL 107 -18.180 -8.955 6.475 794 HG11 VAL 107 1HG1 VAL 107 -18.200 -10.117 9.133 795 HG12 VAL 107 2HG1 VAL 107 -18.590 -8.476 8.613 796 HG13 VAL 107 3HG1 VAL 107 -19.823 -9.737 8.559 797 HG21 VAL 107 3HG2 VAL 107 -17.109 -11.446 6.258 798 HG22 VAL 107 1HG2 VAL 107 -16.228 -10.018 6.802 799 HG23 VAL 107 2HG2 VAL 107 -16.916 -11.133 7.983 800 H GLU 108 H GLU 108 -18.353 -12.929 6.392 801 HA GLU 108 HA GLU 108 -19.751 -13.868 8.745 802 HB2 GLU 108 1HB GLU 108 -20.190 -15.080 6.022 803 HB3 GLU 108 2HB GLU 108 -20.453 -15.989 7.503 804 HG2 GLU 108 1HG GLU 108 -22.006 -14.080 8.186 805 HG3 GLU 108 2HG GLU 108 -21.931 -13.587 6.495 Start of MODEL 3 1 H1 MET 1 H MET 1 1.368 -0.691 1.477 2 HA MET 1 HA MET 1 1.809 0.759 -0.834 3 HB2 MET 1 1HB MET 1 3.636 -0.042 0.545 4 HB3 MET 1 2HB MET 1 3.244 -1.711 0.153 5 HG2 MET 1 1HG MET 1 5.182 -0.919 -1.091 6 HG3 MET 1 2HG MET 1 3.847 -1.339 -2.161 7 HE1 MET 1 3HE MET 1 6.397 2.065 -2.283 8 HE2 MET 1 1HE MET 1 6.549 0.322 -2.061 9 HE3 MET 1 2HE MET 1 6.127 0.976 -3.644 10 H GLY 2 H GLY 2 1.034 0.537 -2.822 11 HA2 GLY 2 1HA GLY 2 0.828 -0.665 -4.864 12 HA3 GLY 2 2HA GLY 2 0.755 -2.160 -3.943 13 H VAL 3 H VAL 3 -1.205 -0.623 -2.110 14 HA VAL 3 HA VAL 3 -3.548 -0.521 -3.849 15 HB VAL 3 HB VAL 3 -3.522 -2.841 -3.158 16 HG11 VAL 3 1HG1 VAL 3 -3.588 -1.908 -0.296 17 HG12 VAL 3 2HG1 VAL 3 -3.454 -3.563 -0.894 18 HG13 VAL 3 3HG1 VAL 3 -2.117 -2.434 -1.114 19 HG21 VAL 3 3HG2 VAL 3 -5.731 -2.919 -2.719 20 HG22 VAL 3 1HG2 VAL 3 -5.593 -1.866 -1.311 21 HG23 VAL 3 2HG2 VAL 3 -5.638 -1.171 -2.931 22 H GLN 4 H GLN 4 -4.889 1.072 -3.280 23 HA GLN 4 HA GLN 4 -4.719 2.133 -0.540 24 HB2 GLN 4 1HB GLN 4 -4.243 3.484 -3.085 25 HB3 GLN 4 2HB GLN 4 -5.442 4.303 -2.092 26 HG2 GLN 4 1HG GLN 4 -3.498 5.306 -1.406 27 HG3 GLN 4 2HG GLN 4 -3.688 4.032 -0.203 28 HE21 GLN 4 2HE2 GLN 4 -1.953 2.875 0.198 29 HE22 GLN 4 1HE2 GLN 4 -0.615 2.637 -0.868 30 H VAL 5 H VAL 5 -6.623 2.950 0.352 31 HA VAL 5 HA VAL 5 -9.079 2.357 -1.168 32 HB VAL 5 HB VAL 5 -8.630 1.978 1.796 33 HG11 VAL 5 1HG1 VAL 5 -10.855 2.604 1.663 34 HG12 VAL 5 2HG1 VAL 5 -11.078 1.856 0.080 35 HG13 VAL 5 3HG1 VAL 5 -10.950 0.849 1.523 36 HG21 VAL 5 3HG2 VAL 5 -8.941 0.031 -0.480 37 HG22 VAL 5 1HG2 VAL 5 -7.579 0.197 0.628 38 HG23 VAL 5 2HG2 VAL 5 -9.123 -0.424 1.214 39 H VAL 6 H VAL 6 -9.913 4.270 -1.719 40 HA VAL 6 HA VAL 6 -9.684 6.557 0.066 41 HB VAL 6 HB VAL 6 -11.031 6.443 -2.633 42 HG11 VAL 6 1HG1 VAL 6 -11.149 8.728 -2.574 43 HG12 VAL 6 2HG1 VAL 6 -11.349 8.364 -0.858 44 HG13 VAL 6 3HG1 VAL 6 -9.779 8.882 -1.474 45 HG21 VAL 6 3HG2 VAL 6 -8.159 6.859 -1.879 46 HG22 VAL 6 1HG2 VAL 6 -8.842 5.819 -3.129 47 HG23 VAL 6 2HG2 VAL 6 -8.827 7.569 -3.349 48 H THR 7 H THR 7 -11.081 6.353 1.741 49 HA THR 7 HA THR 7 -13.566 5.167 1.790 50 HB THR 7 HB THR 7 -12.964 7.669 3.361 51 HG1 THR 7 HG1 THR 7 -12.243 5.103 4.275 52 HG21 THR 7 3HG2 THR 7 -14.758 7.107 4.560 53 HG22 THR 7 1HG2 THR 7 -14.155 5.466 4.789 54 HG23 THR 7 2HG2 THR 7 -15.106 5.864 3.358 55 H LEU 8 H LEU 8 -15.390 5.568 0.740 56 HA LEU 8 HA LEU 8 -15.833 8.250 -0.366 57 HB2 LEU 8 1HB LEU 8 -17.087 5.596 -1.051 58 HB3 LEU 8 2HB LEU 8 -17.519 7.133 -1.798 59 HG LEU 8 HG LEU 8 -14.715 6.070 -1.927 60 HD11 LEU 8 1HD1 LEU 8 -16.329 5.635 -4.306 61 HD12 LEU 8 2HD1 LEU 8 -16.864 4.674 -2.928 62 HD13 LEU 8 3HD1 LEU 8 -15.197 4.557 -3.490 63 HD21 LEU 8 3HD2 LEU 8 -15.892 7.577 -4.146 64 HD22 LEU 8 1HD2 LEU 8 -14.333 7.764 -3.344 65 HD23 LEU 8 2HD2 LEU 8 -15.782 8.474 -2.631 66 H ALA 9 H ALA 9 -17.618 5.628 1.255 67 HA ALA 9 HA ALA 9 -19.237 7.664 2.609 68 HB1 ALA 9 1HB ALA 9 -20.262 5.404 0.932 69 HB2 ALA 9 2HB ALA 9 -21.222 6.052 2.263 70 HB3 ALA 9 3HB ALA 9 -20.741 7.102 0.930 71 H ALA 10 H ALA 10 -18.651 7.358 4.668 72 HA ALA 10 HA ALA 10 -17.690 5.017 5.817 73 HB1 ALA 10 1HB ALA 10 -19.217 6.817 7.590 74 HB2 ALA 10 2HB ALA 10 -17.572 6.197 7.741 75 HB3 ALA 10 3HB ALA 10 -17.907 7.553 6.664 76 H GLY 11 H GLY 11 -18.595 3.271 6.786 77 HA2 GLY 11 1HA GLY 11 -21.545 3.121 6.727 78 HA3 GLY 11 2HA GLY 11 -20.489 1.749 6.424 79 H ASP 12 H ASP 12 -20.488 0.353 8.040 80 HA ASP 12 HA ASP 12 -21.425 1.011 10.644 81 HB2 ASP 12 1HB ASP 12 -21.614 -1.247 9.534 82 HB3 ASP 12 2HB ASP 12 -19.893 -1.466 9.842 83 H GLU 13 H GLU 13 -18.231 0.522 9.233 84 HA GLU 13 HA GLU 13 -16.125 0.831 10.049 85 HB2 GLU 13 1HB GLU 13 -17.331 3.163 10.201 86 HB3 GLU 13 2HB GLU 13 -17.192 2.896 11.933 87 HG2 GLU 13 1HG GLU 13 -14.796 2.734 11.763 88 HG3 GLU 13 2HG GLU 13 -14.881 2.852 10.006 89 H ALA 14 H ALA 14 -17.198 -1.326 11.211 90 HA ALA 14 HA ALA 14 -15.848 -1.404 13.745 91 HB1 ALA 14 1HB ALA 14 -18.542 -0.712 13.820 92 HB2 ALA 14 2HB ALA 14 -18.502 -2.424 14.246 93 HB3 ALA 14 3HB ALA 14 -17.549 -1.263 15.170 94 H THR 15 H THR 15 -18.024 -3.013 11.473 95 HA THR 15 HA THR 15 -16.970 -5.624 12.268 96 HB THR 15 HB THR 15 -19.074 -5.201 10.163 97 HG1 THR 15 HG1 THR 15 -19.428 -4.181 12.421 98 HG21 THR 15 3HG2 THR 15 -18.720 -7.423 12.170 99 HG22 THR 15 1HG2 THR 15 -18.015 -7.449 10.555 100 HG23 THR 15 2HG2 THR 15 -19.767 -7.409 10.751 101 H TYR 16 H TYR 16 -15.008 -5.915 11.351 102 HA TYR 16 HA TYR 16 -14.771 -5.455 8.452 103 HB2 TYR 16 1HB TYR 16 -12.564 -5.669 10.511 104 HB3 TYR 16 2HB TYR 16 -12.352 -5.324 8.798 105 HD1 TYR 16 HD1 TYR 16 -13.946 -3.997 11.889 106 HD2 TYR 16 HD2 TYR 16 -12.378 -3.117 8.033 107 HE1 TYR 16 HE1 TYR 16 -14.166 -1.592 12.355 108 HE2 TYR 16 HE2 TYR 16 -12.593 -0.709 8.488 109 HH TYR 16 HH TYR 16 -12.785 0.628 11.260 110 HA PRO 17 HA PRO 17 -14.452 -9.790 7.784 111 HB2 PRO 17 1HB PRO 17 -13.021 -9.784 5.477 112 HB3 PRO 17 2HB PRO 17 -14.724 -9.317 5.552 113 HG2 PRO 17 1HG PRO 17 -12.285 -7.582 5.488 114 HG3 PRO 17 2HG PRO 17 -13.817 -7.392 4.614 115 HD2 PRO 17 1HD PRO 17 -13.234 -5.988 6.855 116 HD3 PRO 17 2HD PRO 17 -14.888 -6.478 6.438 117 H LYS 18 H LYS 18 -13.199 -11.089 8.958 118 HA LYS 18 HA LYS 18 -10.399 -10.494 9.380 119 HB2 LYS 18 1HB LYS 18 -12.152 -11.463 11.075 120 HB3 LYS 18 2HB LYS 18 -11.722 -13.003 10.343 121 HG2 LYS 18 1HG LYS 18 -9.483 -12.832 11.052 122 HG3 LYS 18 2HG LYS 18 -9.666 -11.126 11.466 123 HD2 LYS 18 1HD LYS 18 -9.850 -12.010 13.555 124 HD3 LYS 18 2HD LYS 18 -11.543 -12.127 13.068 125 HE2 LYS 18 1HE LYS 18 -11.138 -14.449 12.338 126 HE3 LYS 18 2HE LYS 18 -9.476 -14.319 12.912 127 HZ1 LYS 18 3HZ LYS 18 -11.928 -14.115 14.574 128 HZ2 LYS 18 1HZ LYS 18 -10.351 -13.894 15.147 129 HZ3 LYS 18 2HZ LYS 18 -10.833 -15.404 14.556 130 H ALA 19 H ALA 19 -8.663 -11.823 8.816 131 HA ALA 19 HA ALA 19 -8.720 -12.974 6.281 132 HB1 ALA 19 1HB ALA 19 -6.615 -12.319 6.986 133 HB2 ALA 19 2HB ALA 19 -6.780 -13.113 8.552 134 HB3 ALA 19 3HB ALA 19 -6.524 -14.077 7.098 135 H GLY 20 H GLY 20 -9.390 -14.880 5.534 136 HA2 GLY 20 1HA GLY 20 -9.499 -17.264 5.614 137 HA3 GLY 20 2HA GLY 20 -9.494 -17.173 7.369 138 H GLN 21 H GLN 21 -11.537 -14.849 6.856 139 HA GLN 21 HA GLN 21 -13.859 -16.628 6.942 140 HB2 GLN 21 1HB GLN 21 -13.190 -13.995 8.088 141 HB3 GLN 21 2HB GLN 21 -14.848 -14.162 7.524 142 HG2 GLN 21 1HG GLN 21 -15.387 -15.695 9.112 143 HG3 GLN 21 2HG GLN 21 -13.746 -16.331 9.214 144 HE21 GLN 21 2HE2 GLN 21 -15.217 -13.128 9.648 145 HE22 GLN 21 1HE2 GLN 21 -14.529 -12.836 11.206 146 H VAL 22 H VAL 22 -15.828 -16.013 5.818 147 HA VAL 22 HA VAL 22 -15.234 -15.055 3.138 148 HB VAL 22 HB VAL 22 -16.540 -17.090 3.317 149 HG11 VAL 22 1HG1 VAL 22 -18.509 -15.398 4.851 150 HG12 VAL 22 2HG1 VAL 22 -18.836 -17.026 4.253 151 HG13 VAL 22 3HG1 VAL 22 -17.580 -16.766 5.464 152 HG21 VAL 22 3HG2 VAL 22 -18.351 -14.871 2.381 153 HG22 VAL 22 1HG2 VAL 22 -16.965 -15.461 1.465 154 HG23 VAL 22 2HG2 VAL 22 -18.315 -16.541 1.815 155 H ALA 23 H ALA 23 -15.960 -13.194 2.255 156 HA ALA 23 HA ALA 23 -17.834 -11.547 3.806 157 HB1 ALA 23 1HB ALA 23 -15.987 -9.801 2.558 158 HB2 ALA 23 2HB ALA 23 -16.280 -10.039 4.281 159 HB3 ALA 23 3HB ALA 23 -15.064 -11.010 3.451 160 H VAL 24 H VAL 24 -19.145 -10.170 2.602 161 HA VAL 24 HA VAL 24 -19.061 -10.598 -0.315 162 HB VAL 24 HB VAL 24 -21.539 -10.042 1.317 163 HG11 VAL 24 1HG1 VAL 24 -22.655 -10.884 -0.769 164 HG12 VAL 24 2HG1 VAL 24 -21.821 -9.338 -0.940 165 HG13 VAL 24 3HG1 VAL 24 -21.079 -10.815 -1.557 166 HG21 VAL 24 3HG2 VAL 24 -20.066 -12.493 0.983 167 HG22 VAL 24 1HG2 VAL 24 -21.501 -12.171 1.957 168 HG23 VAL 24 2HG2 VAL 24 -21.670 -12.629 0.263 169 H VAL 25 H VAL 25 -18.791 -8.842 -1.521 170 HA VAL 25 HA VAL 25 -19.767 -6.256 -0.578 171 HB VAL 25 HB VAL 25 -17.743 -5.102 -0.781 172 HG11 VAL 25 1HG1 VAL 25 -16.775 -7.708 0.356 173 HG12 VAL 25 2HG1 VAL 25 -16.341 -6.067 0.837 174 HG13 VAL 25 3HG1 VAL 25 -17.949 -6.696 1.197 175 HG21 VAL 25 3HG2 VAL 25 -15.651 -6.443 -1.580 176 HG22 VAL 25 1HG2 VAL 25 -16.851 -7.480 -2.351 177 HG23 VAL 25 2HG2 VAL 25 -16.770 -5.767 -2.764 178 H HIS 26 H HIS 26 -19.557 -4.567 -2.316 179 HA HIS 26 HA HIS 26 -20.103 -5.810 -4.924 180 HB2 HIS 26 1HB HIS 26 -21.287 -3.567 -3.448 181 HB3 HIS 26 2HB HIS 26 -20.962 -3.208 -5.142 182 HD1 HIS 26 HD1 HIS 26 -21.845 -5.450 -6.719 183 HD2 HIS 26 HD2 HIS 26 -23.798 -4.491 -3.179 184 HE1 HIS 26 HE1 HIS 26 -24.125 -6.495 -6.904 185 H TYR 27 H TYR 27 -18.689 -5.539 -6.514 186 HA TYR 27 HA TYR 27 -16.606 -3.497 -6.207 187 HB2 TYR 27 1HB TYR 27 -15.291 -4.810 -7.770 188 HB3 TYR 27 2HB TYR 27 -15.876 -5.850 -6.475 189 HD1 TYR 27 HD2 TYR 27 -16.391 -4.909 -10.015 190 HD2 TYR 27 HD1 TYR 27 -17.275 -7.709 -6.936 191 HE1 TYR 27 HE2 TYR 27 -17.361 -6.431 -11.686 192 HE2 TYR 27 HE1 TYR 27 -18.246 -9.240 -8.598 193 HH TYR 27 HH TYR 27 -18.724 -8.275 -11.926 194 H THR 28 H THR 28 -16.205 -1.970 -7.753 195 HA THR 28 HA THR 28 -17.919 -1.945 -10.138 196 HB THR 28 HB THR 28 -17.525 0.390 -8.257 197 HG1 THR 28 HG1 THR 28 -19.165 -1.031 -7.591 198 HG21 THR 28 3HG2 THR 28 -18.081 0.321 -11.085 199 HG22 THR 28 1HG2 THR 28 -17.828 1.710 -10.029 200 HG23 THR 28 2HG2 THR 28 -19.440 1.017 -10.202 201 H GLY 29 H GLY 29 -16.810 -1.551 -11.944 202 HA2 GLY 29 1HA GLY 29 -14.013 -1.141 -11.916 203 HA3 GLY 29 2HA GLY 29 -15.049 -1.062 -13.334 204 H THR 30 H THR 30 -12.752 0.620 -12.380 205 HA THR 30 HA THR 30 -13.780 3.127 -13.224 206 HB THR 30 HB THR 30 -12.712 3.822 -10.671 207 HG1 THR 30 HG1 THR 30 -14.372 2.849 -9.371 208 HG21 THR 30 3HG2 THR 30 -15.251 4.194 -12.183 209 HG22 THR 30 1HG2 THR 30 -14.112 5.397 -11.581 210 HG23 THR 30 2HG2 THR 30 -15.227 4.604 -10.468 211 H LEU 31 H LEU 31 -12.167 4.451 -13.921 212 HA LEU 31 HA LEU 31 -9.440 3.420 -13.645 213 HB2 LEU 31 1HB LEU 31 -10.799 5.209 -15.624 214 HB3 LEU 31 2HB LEU 31 -9.042 5.182 -15.496 215 HG LEU 31 HG LEU 31 -10.803 2.832 -16.191 216 HD11 LEU 31 1HD1 LEU 31 -8.953 4.515 -17.872 217 HD12 LEU 31 2HD1 LEU 31 -10.710 4.432 -17.998 218 HD13 LEU 31 3HD1 LEU 31 -9.729 3.022 -18.400 219 HD21 LEU 31 3HD2 LEU 31 -8.010 3.055 -15.360 220 HD22 LEU 31 1HD2 LEU 31 -8.238 2.189 -16.879 221 HD23 LEU 31 2HD2 LEU 31 -9.069 1.645 -15.421 222 H ALA 32 H ALA 32 -7.668 4.953 -13.371 223 HA ALA 32 HA ALA 32 -7.987 6.594 -11.135 224 HB1 ALA 32 1HB ALA 32 -5.801 6.105 -11.280 225 HB2 ALA 32 2HB ALA 32 -5.835 6.002 -13.040 226 HB3 ALA 32 3HB ALA 32 -5.715 7.574 -12.251 227 H ASP 33 H ASP 33 -8.565 7.225 -14.464 228 HA ASP 33 HA ASP 33 -8.376 10.098 -14.237 229 HB2 ASP 33 1HB ASP 33 -9.143 8.184 -16.413 230 HB3 ASP 33 2HB ASP 33 -9.561 9.888 -16.565 231 H GLY 34 H GLY 34 -10.700 7.727 -13.529 232 HA2 GLY 34 1HA GLY 34 -12.630 8.449 -12.232 233 HA3 GLY 34 2HA GLY 34 -12.765 9.826 -13.314 234 H LYS 35 H LYS 35 -12.078 7.764 -15.531 235 HA LYS 35 HA LYS 35 -14.607 7.466 -16.593 236 HB2 LYS 35 1HB LYS 35 -11.955 6.536 -17.202 237 HB3 LYS 35 2HB LYS 35 -13.111 5.242 -17.485 238 HG2 LYS 35 1HG LYS 35 -13.330 8.017 -18.632 239 HG3 LYS 35 2HG LYS 35 -12.674 6.617 -19.483 240 HD2 LYS 35 1HD LYS 35 -15.371 6.353 -18.269 241 HD3 LYS 35 2HD LYS 35 -15.218 7.355 -19.714 242 HE2 LYS 35 1HE LYS 35 -14.154 4.545 -19.533 243 HE3 LYS 35 2HE LYS 35 -15.777 4.924 -20.106 244 HZ1 LYS 35 3HZ LYS 35 -13.892 4.677 -21.809 245 HZ2 LYS 35 1HZ LYS 35 -13.424 6.226 -21.315 246 HZ3 LYS 35 2HZ LYS 35 -14.960 5.977 -21.978 247 H VAL 36 H VAL 36 -16.310 6.292 -16.033 248 HA VAL 36 HA VAL 36 -16.095 4.262 -14.000 249 HB VAL 36 HB VAL 36 -18.011 5.907 -14.199 250 HG11 VAL 36 1HG1 VAL 36 -18.907 4.011 -16.367 251 HG12 VAL 36 2HG1 VAL 36 -19.821 5.375 -15.719 252 HG13 VAL 36 3HG1 VAL 36 -18.337 5.659 -16.629 253 HG21 VAL 36 3HG2 VAL 36 -19.143 4.523 -12.864 254 HG22 VAL 36 1HG2 VAL 36 -19.415 3.368 -14.169 255 HG23 VAL 36 2HG2 VAL 36 -17.916 3.313 -13.240 256 H PHE 37 H PHE 37 -16.339 2.086 -14.216 257 HA PHE 37 HA PHE 37 -16.594 1.046 -16.961 258 HB2 PHE 37 1HB PHE 37 -14.636 0.449 -14.824 259 HB3 PHE 37 2HB PHE 37 -15.250 -0.941 -15.713 260 HD1 PHE 37 HD1 PHE 37 -13.789 2.437 -16.273 261 HD2 PHE 37 HD2 PHE 37 -14.242 -1.549 -17.695 262 HE1 PHE 37 HE1 PHE 37 -12.205 2.911 -18.095 263 HE2 PHE 37 HE2 PHE 37 -12.657 -1.082 -19.518 264 HZ PHE 37 HZ PHE 37 -11.636 1.150 -19.720 265 H ASP 38 H ASP 38 -16.922 -1.554 -16.622 266 HA ASP 38 HA ASP 38 -19.583 -1.863 -15.865 267 HB2 ASP 38 1HB ASP 38 -17.963 -3.386 -17.286 268 HB3 ASP 38 2HB ASP 38 -17.731 -4.208 -15.745 269 H SER 39 H SER 39 -20.605 -2.318 -14.006 270 HA SER 39 HA SER 39 -18.950 -2.925 -11.644 271 HB2 SER 39 1HB SER 39 -20.265 -1.481 -10.295 272 HB3 SER 39 2HB SER 39 -19.916 -0.562 -11.759 273 HG SER 39 HG SER 39 -21.977 -0.438 -12.082 274 H SER 40 H SER 40 -19.859 -4.279 -10.065 275 HA SER 40 HA SER 40 -21.676 -6.243 -11.119 276 HB2 SER 40 1HB SER 40 -19.643 -6.250 -9.210 277 HB3 SER 40 2HB SER 40 -21.119 -6.503 -8.277 278 HG SER 40 HG SER 40 -20.488 -8.498 -8.937 279 H ARG 41 H ARG 41 -21.984 -3.376 -9.324 280 HA ARG 41 HA ARG 41 -24.291 -4.053 -7.795 281 HB2 ARG 41 1HB ARG 41 -23.594 -1.263 -8.673 282 HB3 ARG 41 2HB ARG 41 -24.383 -1.782 -7.190 283 HG2 ARG 41 1HG ARG 41 -22.101 -2.995 -6.764 284 HG3 ARG 41 2HG ARG 41 -21.497 -1.796 -7.909 285 HD2 ARG 41 1HD ARG 41 -23.231 -0.574 -5.958 286 HD3 ARG 41 2HD ARG 41 -21.928 -1.462 -5.169 287 HE ARG 41 HE ARG 41 -20.423 0.073 -5.982 288 HH11 ARG 41 1HH1 ARG 41 -23.498 0.499 -7.557 289 HH12 ARG 41 2HH1 ARG 41 -23.050 1.992 -8.315 290 HH21 ARG 41 1HH2 ARG 41 -19.821 2.037 -6.974 291 HH22 ARG 41 2HH2 ARG 41 -20.958 2.865 -7.983 292 H THR 42 H THR 42 -23.747 -2.832 -11.025 293 HA THR 42 HA THR 42 -26.276 -1.837 -11.630 294 HB THR 42 HB THR 42 -24.382 -3.283 -13.495 295 HG1 THR 42 HG1 THR 42 -23.905 -0.963 -14.002 296 HG21 THR 42 3HG2 THR 42 -25.604 -1.526 -15.073 297 HG22 THR 42 1HG2 THR 42 -26.905 -1.768 -13.909 298 HG23 THR 42 2HG2 THR 42 -26.252 -3.143 -14.800 299 H ARG 43 H ARG 43 -25.215 -5.090 -11.189 300 HA ARG 43 HA ARG 43 -27.801 -6.079 -12.197 301 HB2 ARG 43 1HB ARG 43 -26.624 -8.307 -12.355 302 HB3 ARG 43 2HB ARG 43 -26.070 -7.079 -13.485 303 HG2 ARG 43 1HG ARG 43 -24.098 -6.685 -12.220 304 HG3 ARG 43 2HG ARG 43 -24.693 -7.665 -10.878 305 HD2 ARG 43 1HD ARG 43 -23.167 -9.050 -11.991 306 HD3 ARG 43 2HD ARG 43 -24.749 -9.598 -12.544 307 HE ARG 43 HE ARG 43 -23.883 -7.701 -14.364 308 HH11 ARG 43 1HH1 ARG 43 -22.851 -10.817 -13.207 309 HH12 ARG 43 2HH1 ARG 43 -22.089 -11.264 -14.698 310 HH21 ARG 43 1HH2 ARG 43 -22.884 -8.277 -16.332 311 HH22 ARG 43 2HH2 ARG 43 -22.107 -9.818 -16.474 312 H GLY 44 H GLY 44 -26.539 -5.137 -9.440 313 HA2 GLY 44 1HA GLY 44 -26.871 -5.640 -7.225 314 HA3 GLY 44 2HA GLY 44 -28.305 -6.494 -7.776 315 H LYS 45 H LYS 45 -25.214 -7.495 -8.957 316 HA LYS 45 HA LYS 45 -25.412 -9.916 -7.294 317 HB2 LYS 45 1HB LYS 45 -24.279 -9.461 -10.051 318 HB3 LYS 45 2HB LYS 45 -23.935 -10.915 -9.122 319 HG2 LYS 45 1HG LYS 45 -26.670 -9.969 -9.956 320 HG3 LYS 45 2HG LYS 45 -25.746 -11.266 -10.716 321 HD2 LYS 45 1HD LYS 45 -25.726 -12.412 -8.471 322 HD3 LYS 45 2HD LYS 45 -26.884 -11.196 -7.927 323 HE2 LYS 45 1HE LYS 45 -28.144 -13.093 -8.592 324 HE3 LYS 45 2HE LYS 45 -28.345 -11.880 -9.856 325 HZ1 LYS 45 3HZ LYS 45 -26.136 -13.698 -10.265 326 HZ2 LYS 45 1HZ LYS 45 -27.310 -13.156 -11.356 327 HZ3 LYS 45 2HZ LYS 45 -27.660 -14.431 -10.302 328 HA PRO 46 HA PRO 46 -21.669 -7.820 -5.663 329 HB2 PRO 46 1HB PRO 46 -21.977 -8.785 -3.144 330 HB3 PRO 46 2HB PRO 46 -22.802 -7.333 -3.724 331 HG2 PRO 46 1HG PRO 46 -23.840 -10.130 -3.473 332 HG3 PRO 46 2HG PRO 46 -24.633 -8.601 -3.054 333 HD2 PRO 46 1HD PRO 46 -25.165 -9.937 -5.349 334 HD3 PRO 46 2HD PRO 46 -25.229 -8.166 -5.238 335 H PHE 47 H PHE 47 -19.672 -8.691 -5.022 336 HA PHE 47 HA PHE 47 -19.371 -11.533 -5.636 337 HB2 PHE 47 1HB PHE 47 -17.963 -9.567 -6.649 338 HB3 PHE 47 2HB PHE 47 -17.062 -9.687 -5.141 339 HD1 PHE 47 HD1 PHE 47 -18.317 -11.830 -7.919 340 HD2 PHE 47 HD2 PHE 47 -15.274 -11.129 -5.028 341 HE1 PHE 47 HE1 PHE 47 -17.001 -13.683 -8.860 342 HE2 PHE 47 HE2 PHE 47 -13.952 -12.981 -5.965 343 HZ PHE 47 HZ PHE 47 -14.815 -14.260 -7.884 344 H ARG 48 H ARG 48 -18.777 -13.027 -4.176 345 HA ARG 48 HA ARG 48 -17.988 -12.098 -1.494 346 HB2 ARG 48 1HB ARG 48 -19.261 -13.993 -0.545 347 HB3 ARG 48 2HB ARG 48 -20.291 -12.844 -1.389 348 HG2 ARG 48 1HG ARG 48 -20.972 -14.368 -2.868 349 HG3 ARG 48 2HG ARG 48 -19.344 -15.013 -3.090 350 HD2 ARG 48 1HD ARG 48 -19.704 -16.044 -0.739 351 HD3 ARG 48 2HD ARG 48 -21.414 -15.752 -1.058 352 HE ARG 48 HE ARG 48 -20.047 -17.161 -3.165 353 HH11 ARG 48 1HH1 ARG 48 -21.789 -17.455 -0.164 354 HH12 ARG 48 2HH1 ARG 48 -22.281 -19.089 -0.459 355 HH21 ARG 48 1HH2 ARG 48 -20.689 -19.313 -3.564 356 HH22 ARG 48 2HH2 ARG 48 -21.654 -20.146 -2.393 357 H PHE 49 H PHE 49 -16.366 -13.202 -0.489 358 HA PHE 49 HA PHE 49 -15.462 -15.772 -1.320 359 HB2 PHE 49 1HB PHE 49 -13.269 -15.108 -2.195 360 HB3 PHE 49 2HB PHE 49 -14.567 -14.463 -3.193 361 HD1 PHE 49 HD2 PHE 49 -11.901 -13.650 -0.828 362 HD2 PHE 49 HD1 PHE 49 -15.007 -12.094 -3.288 363 HE1 PHE 49 HE2 PHE 49 -10.964 -11.389 -0.576 364 HE2 PHE 49 HE1 PHE 49 -14.074 -9.831 -3.040 365 HZ PHE 49 HZ PHE 49 -12.051 -9.476 -1.681 366 H THR 50 H THR 50 -13.165 -16.167 -0.306 367 HA THR 50 HA THR 50 -13.381 -15.292 2.468 368 HB THR 50 HB THR 50 -11.615 -17.407 1.221 369 HG1 THR 50 HG1 THR 50 -13.292 -18.657 1.499 370 HG21 THR 50 3HG2 THR 50 -11.987 -16.492 4.060 371 HG22 THR 50 1HG2 THR 50 -10.486 -16.710 3.161 372 HG23 THR 50 2HG2 THR 50 -11.419 -18.116 3.674 373 H VAL 51 H VAL 51 -12.254 -13.601 3.144 374 HA VAL 51 HA VAL 51 -10.256 -12.309 1.652 375 HB VAL 51 HB VAL 51 -10.621 -12.082 4.639 376 HG11 VAL 51 1HG1 VAL 51 -9.785 -9.825 4.330 377 HG12 VAL 51 2HG1 VAL 51 -8.629 -10.995 3.689 378 HG13 VAL 51 3HG1 VAL 51 -9.666 -10.085 2.590 379 HG21 VAL 51 3HG2 VAL 51 -12.770 -11.636 4.027 380 HG22 VAL 51 1HG2 VAL 51 -12.069 -10.043 3.743 381 HG23 VAL 51 2HG2 VAL 51 -12.322 -11.148 2.393 382 H GLY 52 H GLY 52 -8.415 -13.335 1.124 383 HA2 GLY 52 1HA GLY 52 -6.137 -13.607 2.138 384 HA3 GLY 52 2HA GLY 52 -6.924 -14.662 3.303 385 H ARG 53 H ARG 53 -8.664 -15.607 0.951 386 HA ARG 53 HA ARG 53 -7.064 -17.891 0.333 387 HB2 ARG 53 1HB ARG 53 -9.826 -16.972 -0.294 388 HB3 ARG 53 2HB ARG 53 -9.119 -18.198 -1.338 389 HG2 ARG 53 1HG ARG 53 -9.146 -18.505 1.643 390 HG3 ARG 53 2HG ARG 53 -10.522 -18.978 0.644 391 HD2 ARG 53 1HD ARG 53 -9.360 -20.686 -0.383 392 HD3 ARG 53 2HD ARG 53 -7.791 -19.945 -0.069 393 HE ARG 53 HE ARG 53 -7.737 -20.988 1.975 394 HH11 ARG 53 1HH1 ARG 53 -10.949 -21.197 0.647 395 HH12 ARG 53 2HH1 ARG 53 -11.514 -22.311 1.848 396 HH21 ARG 53 1HH2 ARG 53 -8.470 -22.454 3.562 397 HH22 ARG 53 2HH2 ARG 53 -10.103 -23.024 3.506 398 H GLY 54 H GLY 54 -6.822 -18.661 -1.968 399 HA2 GLY 54 1HA GLY 54 -5.545 -16.539 -3.493 400 HA3 GLY 54 2HA GLY 54 -5.440 -18.263 -3.813 401 H GLU 55 H GLU 55 -8.620 -17.247 -3.301 402 HA GLU 55 HA GLU 55 -9.285 -17.726 -6.061 403 HB2 GLU 55 1HB GLU 55 -11.044 -16.896 -3.746 404 HB3 GLU 55 2HB GLU 55 -11.612 -17.434 -5.321 405 HG2 GLU 55 1HG GLU 55 -10.314 -19.587 -4.840 406 HG3 GLU 55 2HG GLU 55 -10.266 -19.023 -3.171 407 H VAL 56 H VAL 56 -8.502 -15.007 -4.182 408 HA VAL 56 HA VAL 56 -9.587 -13.220 -6.261 409 HB VAL 56 HB VAL 56 -9.561 -11.435 -4.461 410 HG11 VAL 56 1HG1 VAL 56 -11.502 -13.539 -3.652 411 HG12 VAL 56 2HG1 VAL 56 -11.762 -11.824 -3.977 412 HG13 VAL 56 3HG1 VAL 56 -11.544 -12.954 -5.314 413 HG21 VAL 56 3HG2 VAL 56 -8.882 -11.892 -2.391 414 HG22 VAL 56 1HG2 VAL 56 -9.950 -13.292 -2.290 415 HG23 VAL 56 2HG2 VAL 56 -8.336 -13.462 -2.982 416 H ILE 57 H ILE 57 -8.360 -10.944 -5.912 417 HA ILE 57 HA ILE 57 -5.538 -11.591 -6.333 418 HB ILE 57 HB ILE 57 -5.396 -9.258 -7.238 419 HG12 ILE 57 1HG1 ILE 57 -8.348 -9.160 -7.510 420 HG13 ILE 57 2HG1 ILE 57 -7.699 -8.788 -5.916 421 HG21 ILE 57 1HG2 ILE 57 -6.804 -11.536 -8.370 422 HG22 ILE 57 2HG2 ILE 57 -7.254 -10.009 -9.127 423 HG23 ILE 57 3HG2 ILE 57 -5.562 -10.506 -9.081 424 HD11 ILE 57 3HD1 ILE 57 -7.399 -7.315 -8.479 425 HD12 ILE 57 1HD1 ILE 57 -7.769 -6.712 -6.864 426 HD13 ILE 57 2HD1 ILE 57 -6.123 -7.201 -7.268 427 H ARG 58 H ARG 58 -3.900 -10.070 -5.511 428 HA ARG 58 HA ARG 58 -3.919 -9.836 -2.765 429 HB2 ARG 58 1HB ARG 58 -2.391 -8.109 -4.722 430 HB3 ARG 58 2HB ARG 58 -2.009 -8.310 -3.017 431 HG2 ARG 58 1HG ARG 58 -2.069 -10.607 -4.951 432 HG3 ARG 58 2HG ARG 58 -0.622 -9.646 -4.642 433 HD2 ARG 58 1HD ARG 58 -1.056 -10.175 -2.163 434 HD3 ARG 58 2HD ARG 58 -2.133 -11.433 -2.766 435 HE ARG 58 HE ARG 58 0.264 -11.772 -4.091 436 HH11 ARG 58 1HH1 ARG 58 -0.855 -11.811 -0.795 437 HH12 ARG 58 2HH1 ARG 58 0.339 -12.948 -0.265 438 HH21 ARG 58 1HH2 ARG 58 1.842 -13.270 -3.406 439 HH22 ARG 58 2HH2 ARG 58 1.874 -13.777 -1.751 440 H GLY 59 H GLY 59 -4.707 -7.338 -5.169 441 HA2 GLY 59 1HA GLY 59 -5.094 -5.165 -3.521 442 HA3 GLY 59 2HA GLY 59 -6.013 -5.454 -4.991 443 H TRP 60 H TRP 60 -7.707 -7.348 -4.590 444 HA TRP 60 HA TRP 60 -9.703 -6.313 -2.971 445 HB2 TRP 60 1HB TRP 60 -9.269 -9.064 -4.115 446 HB3 TRP 60 2HB TRP 60 -10.694 -8.681 -3.153 447 HD1 TRP 60 HD1 TRP 60 -10.523 -5.583 -4.678 448 HE1 TRP 60 HE1 TRP 60 -11.735 -5.448 -6.945 449 HE3 TRP 60 HE3 TRP 60 -10.848 -10.577 -5.724 450 HZ2 TRP 60 HZ2 TRP 60 -12.702 -7.224 -8.915 451 HZ3 TRP 60 HZ3 TRP 60 -11.932 -11.275 -7.820 452 HH2 TRP 60 HH2 TRP 60 -12.839 -9.632 -9.381 453 H ASP 61 H ASP 61 -7.376 -8.892 -2.273 454 HA ASP 61 HA ASP 61 -8.329 -9.770 0.163 455 HB2 ASP 61 1HB ASP 61 -6.207 -10.437 -1.293 456 HB3 ASP 61 2HB ASP 61 -5.383 -9.408 -0.125 457 H GLU 62 H GLU 62 -5.735 -7.347 -0.228 458 HA GLU 62 HA GLU 62 -5.742 -6.520 2.453 459 HB2 GLU 62 1HB GLU 62 -4.850 -5.081 -0.049 460 HB3 GLU 62 2HB GLU 62 -4.555 -4.485 1.579 461 HG2 GLU 62 1HG GLU 62 -3.452 -6.793 1.962 462 HG3 GLU 62 2HG GLU 62 -3.395 -6.866 0.202 463 H GLY 63 H GLY 63 -7.207 -4.972 -0.408 464 HA2 GLY 63 1HA GLY 63 -8.364 -2.777 0.763 465 HA3 GLY 63 2HA GLY 63 -9.079 -3.646 -0.587 466 H VAL 64 H VAL 64 -10.077 -5.866 0.252 467 HA VAL 64 HA VAL 64 -12.370 -5.234 1.676 468 HB VAL 64 HB VAL 64 -11.050 -7.920 1.287 469 HG11 VAL 64 1HG1 VAL 64 -13.746 -7.220 2.428 470 HG12 VAL 64 2HG1 VAL 64 -13.349 -8.819 1.794 471 HG13 VAL 64 3HG1 VAL 64 -12.464 -8.171 3.176 472 HG21 VAL 64 3HG2 VAL 64 -13.437 -7.720 -0.159 473 HG22 VAL 64 1HG2 VAL 64 -12.605 -6.184 -0.399 474 HG23 VAL 64 2HG2 VAL 64 -11.793 -7.698 -0.798 475 H ALA 65 H ALA 65 -9.393 -6.786 2.832 476 HA ALA 65 HA ALA 65 -10.145 -7.338 5.438 477 HB1 ALA 65 1HB ALA 65 -7.557 -6.718 5.803 478 HB2 ALA 65 2HB ALA 65 -8.103 -8.226 5.068 479 HB3 ALA 65 3HB ALA 65 -7.584 -6.884 4.048 480 H GLN 66 H GLN 66 -9.142 -4.296 4.001 481 HA GLN 66 HA GLN 66 -9.320 -2.972 6.609 482 HB2 GLN 66 1HB GLN 66 -8.225 -1.084 5.570 483 HB3 GLN 66 2HB GLN 66 -7.317 -2.548 5.214 484 HG2 GLN 66 1HG GLN 66 -8.228 -2.629 2.989 485 HG3 GLN 66 2HG GLN 66 -9.277 -1.255 3.333 486 HE21 GLN 66 2HE2 GLN 66 -6.296 -2.245 2.147 487 HE22 GLN 66 1HE2 GLN 66 -5.536 -0.697 2.043 488 H MET 67 H MET 67 -11.693 -3.929 5.290 489 HA MET 67 HA MET 67 -13.041 -1.356 4.799 490 HB2 MET 67 1HB MET 67 -13.464 -4.019 3.451 491 HB3 MET 67 2HB MET 67 -14.662 -2.732 3.391 492 HG2 MET 67 1HG MET 67 -11.912 -1.991 2.630 493 HG3 MET 67 2HG MET 67 -12.763 -3.083 1.540 494 HE1 MET 67 3HE MET 67 -15.311 -1.800 0.004 495 HE2 MET 67 1HE MET 67 -15.353 -2.708 1.515 496 HE3 MET 67 2HE MET 67 -16.138 -1.133 1.413 497 H SER 68 H SER 68 -15.177 -1.151 5.580 498 HA SER 68 HA SER 68 -15.864 -3.097 7.684 499 HB2 SER 68 1HB SER 68 -17.170 -1.014 8.603 500 HB3 SER 68 2HB SER 68 -15.433 -1.150 8.874 501 HG SER 68 HG SER 68 -16.492 0.895 7.909 502 H VAL 69 H VAL 69 -18.033 -3.666 7.973 503 HA VAL 69 HA VAL 69 -19.562 -4.045 5.689 504 HB VAL 69 HB VAL 69 -20.468 -3.978 8.569 505 HG11 VAL 69 1HG1 VAL 69 -22.146 -5.671 7.164 506 HG12 VAL 69 2HG1 VAL 69 -22.543 -4.057 7.759 507 HG13 VAL 69 3HG1 VAL 69 -21.969 -4.272 6.105 508 HG21 VAL 69 3HG2 VAL 69 -18.681 -5.653 7.680 509 HG22 VAL 69 1HG2 VAL 69 -20.010 -6.238 8.681 510 HG23 VAL 69 2HG2 VAL 69 -20.067 -6.445 6.930 511 H GLY 70 H GLY 70 -20.980 -2.847 4.576 512 HA2 GLY 70 1HA GLY 70 -22.516 -1.178 4.105 513 HA3 GLY 70 2HA GLY 70 -22.437 -0.680 5.788 514 H GLN 71 H GLN 71 -19.347 -0.911 4.549 515 HA GLN 71 HA GLN 71 -19.235 2.000 4.200 516 HB2 GLN 71 1HB GLN 71 -17.781 0.743 5.909 517 HB3 GLN 71 2HB GLN 71 -16.859 0.181 4.521 518 HG2 GLN 71 1HG GLN 71 -17.087 2.934 4.171 519 HG3 GLN 71 2HG GLN 71 -16.763 2.709 5.889 520 HE21 GLN 71 2HE2 GLN 71 -15.521 2.487 2.691 521 HE22 GLN 71 1HE2 GLN 71 -13.897 2.075 3.114 522 H ARG 72 H ARG 72 -18.461 2.943 2.368 523 HA ARG 72 HA ARG 72 -17.707 1.140 0.162 524 HB2 ARG 72 1HB ARG 72 -19.919 1.960 -0.295 525 HB3 ARG 72 2HB ARG 72 -19.442 3.610 0.082 526 HG2 ARG 72 1HG ARG 72 -18.409 3.921 -1.925 527 HG3 ARG 72 2HG ARG 72 -18.007 2.212 -2.108 528 HD2 ARG 72 1HD ARG 72 -19.667 2.687 -3.727 529 HD3 ARG 72 2HD ARG 72 -20.468 1.789 -2.439 530 HE ARG 72 HE ARG 72 -21.737 3.643 -1.974 531 HH11 ARG 72 1HH1 ARG 72 -19.089 4.541 -4.048 532 HH12 ARG 72 2HH1 ARG 72 -19.691 6.138 -4.343 533 HH21 ARG 72 1HH2 ARG 72 -22.539 5.744 -2.354 534 HH22 ARG 72 2HH2 ARG 72 -21.653 6.822 -3.378 535 H ALA 73 H ALA 73 -15.900 1.634 -0.941 536 HA ALA 73 HA ALA 73 -14.794 4.309 -0.897 537 HB1 ALA 73 1HB ALA 73 -13.982 3.307 1.216 538 HB2 ALA 73 2HB ALA 73 -13.194 2.039 0.277 539 HB3 ALA 73 3HB ALA 73 -12.682 3.717 0.097 540 H LYS 74 H LYS 74 -12.739 4.409 -2.197 541 HA LYS 74 HA LYS 74 -13.054 2.711 -4.550 542 HB2 LYS 74 1HB LYS 74 -11.353 5.178 -4.145 543 HB3 LYS 74 2HB LYS 74 -11.608 4.345 -5.672 544 HG2 LYS 74 1HG LYS 74 -14.060 4.839 -5.406 545 HG3 LYS 74 2HG LYS 74 -13.619 5.883 -4.053 546 HD2 LYS 74 1HD LYS 74 -13.655 7.400 -5.781 547 HD3 LYS 74 2HD LYS 74 -11.956 6.919 -5.797 548 HE2 LYS 74 1HE LYS 74 -12.610 6.836 -8.042 549 HE3 LYS 74 2HE LYS 74 -12.658 5.156 -7.509 550 HZ1 LYS 74 3HZ LYS 74 -15.120 6.703 -7.260 551 HZ2 LYS 74 1HZ LYS 74 -14.901 5.074 -7.660 552 HZ3 LYS 74 2HZ LYS 74 -14.641 6.272 -8.824 553 H LEU 75 H LEU 75 -11.806 0.995 -4.841 554 HA LEU 75 HA LEU 75 -9.364 0.706 -3.274 555 HB2 LEU 75 1HB LEU 75 -11.337 -1.050 -3.854 556 HB3 LEU 75 2HB LEU 75 -10.175 -1.440 -5.121 557 HG LEU 75 HG LEU 75 -9.360 -1.354 -2.234 558 HD11 LEU 75 1HD1 LEU 75 -11.028 -2.926 -2.028 559 HD12 LEU 75 2HD1 LEU 75 -9.652 -3.931 -2.482 560 HD13 LEU 75 3HD1 LEU 75 -10.856 -3.486 -3.692 561 HD21 LEU 75 3HD2 LEU 75 -7.720 -3.054 -3.120 562 HD22 LEU 75 1HD2 LEU 75 -7.522 -1.409 -3.724 563 HD23 LEU 75 2HD2 LEU 75 -8.287 -2.634 -4.737 564 H VAL 76 H VAL 76 -7.837 1.959 -4.275 565 HA VAL 76 HA VAL 76 -7.339 1.527 -7.131 566 HB VAL 76 HB VAL 76 -7.440 3.844 -6.564 567 HG11 VAL 76 1HG1 VAL 76 -6.995 4.485 -4.483 568 HG12 VAL 76 2HG1 VAL 76 -6.152 2.972 -4.144 569 HG13 VAL 76 3HG1 VAL 76 -5.278 4.330 -4.855 570 HG21 VAL 76 3HG2 VAL 76 -5.579 4.511 -7.676 571 HG22 VAL 76 1HG2 VAL 76 -4.494 3.578 -6.644 572 HG23 VAL 76 2HG2 VAL 76 -5.400 2.774 -7.926 573 H CYS 77 H CYS 77 -6.141 -0.268 -7.407 574 HA CYS 77 HA CYS 77 -3.596 -0.423 -5.936 575 HB2 CYS 77 1HB CYS 77 -3.768 -2.856 -5.914 576 HB3 CYS 77 2HB CYS 77 -5.161 -2.140 -5.112 577 HG CYS 77 HG CYS 77 -6.869 -3.494 -6.450 578 H SER 78 H SER 78 -1.923 -1.702 -7.079 579 HA SER 78 HA SER 78 -1.827 -0.898 -9.849 580 HB2 SER 78 1HB SER 78 0.407 -2.521 -9.246 581 HB3 SER 78 2HB SER 78 0.352 -0.761 -9.347 582 HG SER 78 HG SER 78 1.042 -1.884 -7.274 583 HA PRO 79 HA PRO 79 -2.791 -4.676 -11.857 584 HB2 PRO 79 1HB PRO 79 -0.848 -4.922 -13.737 585 HB3 PRO 79 2HB PRO 79 -2.136 -3.715 -13.838 586 HG2 PRO 79 1HG PRO 79 0.690 -3.397 -12.901 587 HG3 PRO 79 2HG PRO 79 -0.271 -2.329 -13.940 588 HD2 PRO 79 1HD PRO 79 0.113 -1.838 -11.305 589 HD3 PRO 79 2HD PRO 79 -1.376 -1.378 -12.155 590 H ASP 80 H ASP 80 0.484 -4.379 -10.640 591 HA ASP 80 HA ASP 80 1.302 -7.050 -10.965 592 HB2 ASP 80 1HB ASP 80 2.731 -5.020 -10.351 593 HB3 ASP 80 2HB ASP 80 2.177 -5.265 -8.698 594 H TYR 81 H TYR 81 -0.810 -5.539 -8.683 595 HA TYR 81 HA TYR 81 -0.868 -7.998 -7.066 596 HB2 TYR 81 1HB TYR 81 -1.302 -5.125 -6.431 597 HB3 TYR 81 2HB TYR 81 -2.277 -6.298 -5.553 598 HD1 TYR 81 HD2 TYR 81 1.219 -6.750 -6.707 599 HD2 TYR 81 HD1 TYR 81 -1.364 -6.103 -3.389 600 HE1 TYR 81 HE2 TYR 81 3.098 -7.155 -5.173 601 HE2 TYR 81 HE1 TYR 81 0.508 -6.505 -1.845 602 HH TYR 81 HH TYR 81 3.037 -8.020 -2.376 603 H ALA 82 H ALA 82 -2.284 -7.169 -9.679 604 HA ALA 82 HA ALA 82 -4.849 -8.314 -8.933 605 HB1 ALA 82 1HB ALA 82 -6.193 -6.592 -9.895 606 HB2 ALA 82 2HB ALA 82 -5.106 -5.837 -8.728 607 HB3 ALA 82 3HB ALA 82 -4.768 -5.716 -10.454 608 H TYR 83 H TYR 83 -6.199 -7.948 -11.304 609 HA TYR 83 HA TYR 83 -4.655 -9.673 -13.072 610 HB2 TYR 83 1HB TYR 83 -6.888 -9.801 -14.309 611 HB3 TYR 83 2HB TYR 83 -6.835 -10.497 -12.693 612 HD1 TYR 83 HD2 TYR 83 -7.527 -7.162 -14.249 613 HD2 TYR 83 HD1 TYR 83 -8.659 -10.071 -11.358 614 HE1 TYR 83 HE2 TYR 83 -9.432 -5.754 -13.587 615 HE2 TYR 83 HE1 TYR 83 -10.568 -8.672 -10.689 616 HH TYR 83 HH TYR 83 -11.286 -6.375 -10.772 617 H GLY 84 H GLY 84 -4.418 -6.609 -12.725 618 HA2 GLY 84 1HA GLY 84 -5.206 -5.460 -15.205 619 HA3 GLY 84 2HA GLY 84 -4.064 -4.770 -14.061 620 H SER 85 H SER 85 -2.460 -7.327 -14.230 621 HA SER 85 HA SER 85 -0.471 -6.520 -15.934 622 HB2 SER 85 1HB SER 85 0.141 -8.236 -14.477 623 HB3 SER 85 2HB SER 85 -1.259 -9.224 -14.893 624 HG SER 85 HG SER 85 0.605 -10.074 -15.844 625 H ARG 86 H ARG 86 -2.522 -9.324 -16.724 626 HA ARG 86 HA ARG 86 -1.928 -9.184 -19.493 627 HB2 ARG 86 1HB ARG 86 -2.519 -11.310 -18.630 628 HB3 ARG 86 2HB ARG 86 -3.995 -10.689 -17.902 629 HG2 ARG 86 1HG ARG 86 -4.368 -12.068 -19.926 630 HG3 ARG 86 2HG ARG 86 -5.025 -10.434 -20.045 631 HD2 ARG 86 1HD ARG 86 -3.851 -11.206 -22.099 632 HD3 ARG 86 2HD ARG 86 -3.188 -9.726 -21.407 633 HE ARG 86 HE ARG 86 -1.816 -12.019 -20.441 634 HH11 ARG 86 1HH1 ARG 86 -2.123 -9.934 -23.212 635 HH12 ARG 86 2HH1 ARG 86 -0.514 -10.235 -23.781 636 HH21 ARG 86 1HH2 ARG 86 0.304 -12.423 -21.179 637 HH22 ARG 86 2HH2 ARG 86 0.865 -11.652 -22.624 638 H GLY 87 H GLY 87 -5.004 -8.600 -17.767 639 HA2 GLY 87 1HA GLY 87 -6.743 -7.175 -18.235 640 HA3 GLY 87 2HA GLY 87 -5.600 -6.224 -19.171 641 H HIS 88 H HIS 88 -7.569 -5.900 -20.509 642 HA HIS 88 HA HIS 88 -7.524 -7.767 -22.722 643 HB2 HIS 88 1HB HIS 88 -9.867 -7.455 -20.906 644 HB3 HIS 88 2HB HIS 88 -10.180 -7.611 -22.632 645 HD1 HIS 88 HD1 HIS 88 -9.005 -9.831 -23.746 646 HD2 HIS 88 HD2 HIS 88 -9.574 -9.826 -19.630 647 HE1 HIS 88 HE1 HIS 88 -8.856 -12.242 -23.044 648 HA PRO 89 HA PRO 89 -8.126 -4.136 -25.107 649 HB2 PRO 89 1HB PRO 89 -9.507 -5.094 -27.239 650 HB3 PRO 89 2HB PRO 89 -7.794 -5.436 -26.972 651 HG2 PRO 89 1HG PRO 89 -10.181 -7.139 -26.371 652 HG3 PRO 89 2HG PRO 89 -8.627 -7.604 -27.087 653 HD2 PRO 89 1HD PRO 89 -9.218 -8.036 -24.480 654 HD3 PRO 89 2HD PRO 89 -7.569 -7.693 -25.042 655 H GLY 90 H GLY 90 -9.437 -2.554 -24.428 656 HA2 GLY 90 1HA GLY 90 -11.389 -1.287 -24.425 657 HA3 GLY 90 2HA GLY 90 -12.254 -2.668 -25.082 658 H VAL 91 H VAL 91 -10.456 -3.643 -22.447 659 HA VAL 91 HA VAL 91 -12.687 -3.162 -20.585 660 HB VAL 91 HB VAL 91 -11.133 -5.746 -20.736 661 HG11 VAL 91 1HG1 VAL 91 -13.751 -5.245 -19.352 662 HG12 VAL 91 2HG1 VAL 91 -12.621 -6.582 -19.127 663 HG13 VAL 91 3HG1 VAL 91 -12.204 -4.968 -18.552 664 HG21 VAL 91 3HG2 VAL 91 -13.685 -4.903 -22.041 665 HG22 VAL 91 1HG2 VAL 91 -12.354 -5.863 -22.689 666 HG23 VAL 91 2HG2 VAL 91 -13.475 -6.578 -21.530 667 H ILE 92 H ILE 92 -9.377 -4.501 -20.643 668 HA ILE 92 HA ILE 92 -8.704 -2.717 -18.407 669 HB ILE 92 HB ILE 92 -7.975 -5.643 -18.574 670 HG12 ILE 92 1HG1 ILE 92 -9.673 -4.149 -16.564 671 HG13 ILE 92 2HG1 ILE 92 -10.298 -5.188 -17.840 672 HG21 ILE 92 1HG2 ILE 92 -6.167 -4.187 -17.692 673 HG22 ILE 92 2HG2 ILE 92 -7.271 -3.648 -16.429 674 HG23 ILE 92 3HG2 ILE 92 -6.784 -5.340 -16.509 675 HD11 ILE 92 3HD1 ILE 92 -9.388 -7.119 -16.836 676 HD12 ILE 92 1HD1 ILE 92 -8.418 -6.166 -15.715 677 HD13 ILE 92 2HD1 ILE 92 -10.173 -6.205 -15.549 678 HA PRO 93 HA PRO 93 -5.271 -1.737 -21.015 679 HB2 PRO 93 1HB PRO 93 -3.812 -0.369 -19.179 680 HB3 PRO 93 2HB PRO 93 -5.254 0.300 -19.951 681 HG2 PRO 93 1HG PRO 93 -4.963 -0.965 -17.254 682 HG3 PRO 93 2HG PRO 93 -5.865 0.490 -17.716 683 HD2 PRO 93 1HD PRO 93 -7.065 -1.907 -17.334 684 HD3 PRO 93 2HD PRO 93 -7.656 -0.721 -18.515 685 HA PRO 94 HA PRO 94 -2.122 -4.716 -20.259 686 HB2 PRO 94 1HB PRO 94 0.031 -3.498 -21.378 687 HB3 PRO 94 2HB PRO 94 -1.288 -4.185 -22.333 688 HG2 PRO 94 1HG PRO 94 -0.799 -1.337 -21.552 689 HG3 PRO 94 2HG PRO 94 -1.320 -1.995 -23.114 690 HD2 PRO 94 1HD PRO 94 -3.048 -0.876 -21.355 691 HD3 PRO 94 2HD PRO 94 -3.513 -2.206 -22.436 692 H ASN 95 H ASN 95 -1.784 -4.847 -18.068 693 HA ASN 95 HA ASN 95 -0.864 -4.465 -16.014 694 HB2 ASN 95 1HB ASN 95 1.605 -3.447 -17.368 695 HB3 ASN 95 2HB ASN 95 1.456 -4.537 -15.994 696 HD21 ASN 95 2HD2 ASN 95 1.243 -4.258 -19.466 697 HD22 ASN 95 1HD2 ASN 95 1.393 -5.946 -19.806 698 H ALA 96 H ALA 96 -2.476 -2.535 -16.149 699 HA ALA 96 HA ALA 96 -0.952 -0.102 -15.499 700 HB1 ALA 96 1HB ALA 96 -2.504 -0.311 -17.724 701 HB2 ALA 96 2HB ALA 96 -3.645 0.362 -16.559 702 HB3 ALA 96 3HB ALA 96 -2.130 1.200 -16.895 703 H THR 97 H THR 97 -1.622 1.036 -13.728 704 HA THR 97 HA THR 97 -2.959 -0.274 -11.677 705 HB THR 97 HB THR 97 -2.843 2.731 -11.912 706 HG1 THR 97 HG1 THR 97 -0.739 2.437 -10.874 707 HG21 THR 97 3HG2 THR 97 -2.729 2.689 -9.514 708 HG22 THR 97 1HG2 THR 97 -2.591 0.931 -9.502 709 HG23 THR 97 2HG2 THR 97 -4.097 1.694 -10.014 710 H LEU 98 H LEU 98 -5.029 -0.255 -10.889 711 HA LEU 98 HA LEU 98 -7.053 1.249 -12.393 712 HB2 LEU 98 1HB LEU 98 -7.029 -1.693 -11.798 713 HB3 LEU 98 2HB LEU 98 -8.528 -0.822 -12.115 714 HG LEU 98 HG LEU 98 -6.778 -0.196 -14.231 715 HD11 LEU 98 1HD1 LEU 98 -5.807 -2.489 -13.186 716 HD12 LEU 98 2HD1 LEU 98 -5.724 -2.066 -14.895 717 HD13 LEU 98 3HD1 LEU 98 -7.007 -3.126 -14.311 718 HD21 LEU 98 3HD2 LEU 98 -9.378 -0.716 -13.936 719 HD22 LEU 98 1HD2 LEU 98 -8.858 -2.273 -14.581 720 HD23 LEU 98 2HD2 LEU 98 -8.562 -0.796 -15.498 721 H THR 99 H THR 99 -9.058 1.565 -11.245 722 HA THR 99 HA THR 99 -8.805 1.246 -8.326 723 HB THR 99 HB THR 99 -10.047 3.636 -9.698 724 HG1 THR 99 HG1 THR 99 -7.690 3.452 -9.889 725 HG21 THR 99 3HG2 THR 99 -9.370 4.321 -7.118 726 HG22 THR 99 1HG2 THR 99 -9.951 2.666 -6.947 727 HG23 THR 99 2HG2 THR 99 -10.986 3.893 -7.678 728 H PHE 100 H PHE 100 -10.222 -0.370 -7.952 729 HA PHE 100 HA PHE 100 -12.879 -0.234 -9.183 730 HB2 PHE 100 1HB PHE 100 -11.584 -2.487 -7.634 731 HB3 PHE 100 2HB PHE 100 -13.142 -2.560 -8.450 732 HD1 PHE 100 HD1 PHE 100 -9.505 -2.213 -8.989 733 HD2 PHE 100 HD2 PHE 100 -13.293 -3.024 -10.752 734 HE1 PHE 100 HE1 PHE 100 -8.384 -2.950 -11.051 735 HE2 PHE 100 HE2 PHE 100 -12.178 -3.763 -12.816 736 HZ PHE 100 HZ PHE 100 -9.720 -3.727 -12.968 737 H ASP 101 H ASP 101 -14.471 0.647 -8.059 738 HA ASP 101 HA ASP 101 -14.225 1.329 -5.311 739 HB2 ASP 101 1HB ASP 101 -15.635 2.827 -6.288 740 HB3 ASP 101 2HB ASP 101 -16.269 1.645 -7.430 741 H VAL 102 H VAL 102 -14.447 0.005 -3.645 742 HA VAL 102 HA VAL 102 -16.164 -2.368 -3.938 743 HB VAL 102 HB VAL 102 -13.910 -1.903 -1.980 744 HG11 VAL 102 1HG1 VAL 102 -16.069 -3.803 -2.031 745 HG12 VAL 102 2HG1 VAL 102 -14.515 -4.626 -2.175 746 HG13 VAL 102 3HG1 VAL 102 -14.823 -3.556 -0.808 747 HG21 VAL 102 3HG2 VAL 102 -12.804 -3.726 -3.318 748 HG22 VAL 102 1HG2 VAL 102 -14.066 -3.497 -4.528 749 HG23 VAL 102 2HG2 VAL 102 -12.964 -2.176 -4.143 750 H GLU 103 H GLU 103 -17.845 -2.696 -2.590 751 HA GLU 103 HA GLU 103 -18.168 -0.864 -0.310 752 HB2 GLU 103 1HB GLU 103 -19.578 -0.046 -2.117 753 HB3 GLU 103 2HB GLU 103 -20.290 -1.641 -2.318 754 HG2 GLU 103 1HG GLU 103 -21.252 -1.491 -0.075 755 HG3 GLU 103 2HG GLU 103 -20.551 0.115 0.112 756 H LEU 104 H LEU 104 -18.140 -2.061 1.468 757 HA LEU 104 HA LEU 104 -18.618 -4.842 1.531 758 HB2 LEU 104 1HB LEU 104 -17.358 -3.188 3.172 759 HB3 LEU 104 2HB LEU 104 -18.915 -3.211 3.999 760 HG LEU 104 HG LEU 104 -17.617 -4.826 5.091 761 HD11 LEU 104 1HD1 LEU 104 -19.935 -5.524 4.219 762 HD12 LEU 104 2HD1 LEU 104 -18.858 -6.775 4.838 763 HD13 LEU 104 3HD1 LEU 104 -19.039 -6.551 3.099 764 HD21 LEU 104 3HD2 LEU 104 -16.847 -6.656 3.064 765 HD22 LEU 104 1HD2 LEU 104 -15.820 -5.708 4.140 766 HD23 LEU 104 2HD2 LEU 104 -16.310 -5.047 2.580 767 H LEU 105 H LEU 105 -20.429 -5.990 1.771 768 HA LEU 105 HA LEU 105 -22.907 -4.532 2.412 769 HB2 LEU 105 1HB LEU 105 -22.249 -6.606 0.421 770 HB3 LEU 105 2HB LEU 105 -23.798 -6.791 1.241 771 HG LEU 105 HG LEU 105 -24.285 -4.396 0.520 772 HD11 LEU 105 1HD1 LEU 105 -23.063 -3.584 -1.420 773 HD12 LEU 105 2HD1 LEU 105 -21.977 -4.971 -1.334 774 HD13 LEU 105 3HD1 LEU 105 -21.985 -3.777 -0.037 775 HD21 LEU 105 3HD2 LEU 105 -25.098 -5.101 -1.627 776 HD22 LEU 105 1HD2 LEU 105 -25.266 -6.441 -0.493 777 HD23 LEU 105 2HD2 LEU 105 -23.953 -6.442 -1.670 778 H ARG 106 H ARG 106 -21.189 -7.604 2.822 779 HA ARG 106 HA ARG 106 -22.367 -7.900 5.457 780 HB2 ARG 106 1HB ARG 106 -22.678 -10.069 3.373 781 HB3 ARG 106 2HB ARG 106 -23.175 -10.168 5.057 782 HG2 ARG 106 1HG ARG 106 -24.811 -8.403 4.693 783 HG3 ARG 106 2HG ARG 106 -24.298 -8.268 3.010 784 HD2 ARG 106 1HD ARG 106 -25.011 -10.549 2.584 785 HD3 ARG 106 2HD ARG 106 -25.451 -10.749 4.279 786 HE ARG 106 HE ARG 106 -26.854 -8.557 3.250 787 HH11 ARG 106 1HH1 ARG 106 -26.706 -12.018 2.903 788 HH12 ARG 106 2HH1 ARG 106 -28.372 -12.175 2.457 789 HH21 ARG 106 1HH2 ARG 106 -29.050 -8.751 2.663 790 HH22 ARG 106 2HH2 ARG 106 -29.704 -10.316 2.319 791 H VAL 107 H VAL 107 -21.404 -9.801 6.621 792 HA VAL 107 HA VAL 107 -18.858 -10.743 5.580 793 HB VAL 107 HB VAL 107 -18.344 -8.569 6.690 794 HG11 VAL 107 1HG1 VAL 107 -20.159 -9.366 8.572 795 HG12 VAL 107 2HG1 VAL 107 -18.622 -9.657 9.389 796 HG13 VAL 107 3HG1 VAL 107 -19.002 -8.050 8.766 797 HG21 VAL 107 3HG2 VAL 107 -16.397 -9.345 7.764 798 HG22 VAL 107 1HG2 VAL 107 -17.168 -10.855 8.247 799 HG23 VAL 107 2HG2 VAL 107 -16.775 -10.569 6.552 800 H GLU 108 H GLU 108 -18.133 -12.625 6.544 801 HA GLU 108 HA GLU 108 -19.428 -13.651 8.917 802 HB2 GLU 108 1HB GLU 108 -19.887 -14.850 6.194 803 HB3 GLU 108 2HB GLU 108 -20.025 -15.810 7.661 804 HG2 GLU 108 1HG GLU 108 -21.661 -13.995 8.448 805 HG3 GLU 108 2HG GLU 108 -21.713 -13.514 6.753 Start of MODEL 4 1 H1 MET 1 H MET 1 1.349 -1.467 1.014 2 HA MET 1 HA MET 1 1.268 1.013 -0.546 3 HB2 MET 1 1HB MET 1 3.485 0.588 -1.473 4 HB3 MET 1 2HB MET 1 3.570 0.768 0.275 5 HG2 MET 1 1HG MET 1 3.287 -1.971 -0.827 6 HG3 MET 1 2HG MET 1 4.840 -1.158 -1.007 7 HE1 MET 1 3HE MET 1 6.377 -0.636 2.025 8 HE2 MET 1 1HE MET 1 6.633 -2.290 1.468 9 HE3 MET 1 2HE MET 1 6.423 -0.987 0.297 10 H GLY 2 H GLY 2 1.069 0.722 -2.803 11 HA2 GLY 2 1HA GLY 2 0.795 -0.539 -4.771 12 HA3 GLY 2 2HA GLY 2 0.778 -2.005 -3.803 13 H VAL 3 H VAL 3 -1.216 -0.468 -2.003 14 HA VAL 3 HA VAL 3 -3.575 -0.519 -3.725 15 HB VAL 3 HB VAL 3 -3.494 -2.793 -2.933 16 HG11 VAL 3 1HG1 VAL 3 -2.378 -1.635 -0.613 17 HG12 VAL 3 2HG1 VAL 3 -3.857 -2.462 -0.122 18 HG13 VAL 3 3HG1 VAL 3 -2.595 -3.346 -0.981 19 HG21 VAL 3 3HG2 VAL 3 -5.661 -1.335 -2.857 20 HG22 VAL 3 1HG2 VAL 3 -5.664 -2.962 -2.175 21 HG23 VAL 3 2HG2 VAL 3 -5.518 -1.561 -1.114 22 H GLN 4 H GLN 4 -4.865 1.139 -3.274 23 HA GLN 4 HA GLN 4 -4.741 2.319 -0.577 24 HB2 GLN 4 1HB GLN 4 -4.387 3.551 -3.218 25 HB3 GLN 4 2HB GLN 4 -5.519 4.403 -2.177 26 HG2 GLN 4 1HG GLN 4 -3.483 5.414 -1.728 27 HG3 GLN 4 2HG GLN 4 -3.686 4.276 -0.398 28 HE21 GLN 4 2HE2 GLN 4 -1.951 3.159 0.087 29 HE22 GLN 4 1HE2 GLN 4 -0.674 2.730 -0.994 30 H VAL 5 H VAL 5 -6.658 3.127 0.290 31 HA VAL 5 HA VAL 5 -9.113 2.431 -1.186 32 HB VAL 5 HB VAL 5 -8.648 2.109 1.782 33 HG11 VAL 5 1HG1 VAL 5 -10.927 0.858 1.456 34 HG12 VAL 5 2HG1 VAL 5 -10.889 2.608 1.679 35 HG13 VAL 5 3HG1 VAL 5 -11.077 1.928 0.062 36 HG21 VAL 5 3HG2 VAL 5 -8.963 0.068 -0.416 37 HG22 VAL 5 1HG2 VAL 5 -7.516 0.376 0.544 38 HG23 VAL 5 2HG2 VAL 5 -8.954 -0.302 1.308 39 H VAL 6 H VAL 6 -9.860 4.380 -1.798 40 HA VAL 6 HA VAL 6 -9.695 6.675 -0.041 41 HB VAL 6 HB VAL 6 -11.117 6.487 -2.697 42 HG11 VAL 6 1HG1 VAL 6 -9.856 8.992 -1.818 43 HG12 VAL 6 2HG1 VAL 6 -11.419 8.715 -2.589 44 HG13 VAL 6 3HG1 VAL 6 -11.235 8.468 -0.852 45 HG21 VAL 6 3HG2 VAL 6 -8.982 7.562 -3.561 46 HG22 VAL 6 1HG2 VAL 6 -8.231 7.029 -2.058 47 HG23 VAL 6 2HG2 VAL 6 -8.902 5.843 -3.177 48 H THR 7 H THR 7 -11.045 6.488 1.673 49 HA THR 7 HA THR 7 -13.506 5.259 1.813 50 HB THR 7 HB THR 7 -12.971 7.807 3.320 51 HG1 THR 7 HG1 THR 7 -11.790 5.245 3.708 52 HG21 THR 7 3HG2 THR 7 -14.684 7.136 4.576 53 HG22 THR 7 1HG2 THR 7 -13.917 5.574 4.857 54 HG23 THR 7 2HG2 THR 7 -14.947 5.808 3.445 55 H LEU 8 H LEU 8 -15.419 5.633 0.917 56 HA LEU 8 HA LEU 8 -15.932 8.289 -0.237 57 HB2 LEU 8 1HB LEU 8 -17.091 5.594 -0.925 58 HB3 LEU 8 2HB LEU 8 -17.608 7.117 -1.646 59 HG LEU 8 HG LEU 8 -14.738 6.325 -1.841 60 HD11 LEU 8 1HD1 LEU 8 -15.030 4.787 -3.499 61 HD12 LEU 8 2HD1 LEU 8 -16.610 5.416 -3.962 62 HD13 LEU 8 3HD1 LEU 8 -16.446 4.429 -2.510 63 HD21 LEU 8 3HD2 LEU 8 -16.053 7.400 -4.180 64 HD22 LEU 8 1HD2 LEU 8 -14.661 8.013 -3.287 65 HD23 LEU 8 2HD2 LEU 8 -16.295 8.432 -2.770 66 H ALA 9 H ALA 9 -17.504 5.629 1.515 67 HA ALA 9 HA ALA 9 -19.198 7.590 2.867 68 HB1 ALA 9 1HB ALA 9 -20.948 5.492 2.440 69 HB2 ALA 9 2HB ALA 9 -20.970 7.057 1.627 70 HB3 ALA 9 3HB ALA 9 -20.136 5.691 0.887 71 H ALA 10 H ALA 10 -18.430 7.273 4.880 72 HA ALA 10 HA ALA 10 -17.409 4.970 5.996 73 HB1 ALA 10 1HB ALA 10 -18.709 6.274 8.100 74 HB2 ALA 10 2HB ALA 10 -17.033 6.472 7.588 75 HB3 ALA 10 3HB ALA 10 -18.282 7.539 6.947 76 H GLY 11 H GLY 11 -18.214 3.203 7.045 77 HA2 GLY 11 1HA GLY 11 -21.133 2.827 6.852 78 HA3 GLY 11 2HA GLY 11 -19.948 1.530 6.803 79 H ASP 12 H ASP 12 -20.279 0.300 8.536 80 HA ASP 12 HA ASP 12 -21.254 1.365 11.015 81 HB2 ASP 12 1HB ASP 12 -21.463 -0.837 11.722 82 HB3 ASP 12 2HB ASP 12 -21.619 -1.002 9.975 83 H GLU 13 H GLU 13 -18.142 0.472 9.704 84 HA GLU 13 HA GLU 13 -16.022 0.568 10.536 85 HB2 GLU 13 1HB GLU 13 -17.351 2.853 11.985 86 HB3 GLU 13 2HB GLU 13 -15.629 2.524 12.125 87 HG2 GLU 13 1HG GLU 13 -15.253 2.978 9.845 88 HG3 GLU 13 2HG GLU 13 -16.977 2.947 9.478 89 H ALA 14 H ALA 14 -17.064 -1.546 11.600 90 HA ALA 14 HA ALA 14 -15.886 -1.698 14.212 91 HB1 ALA 14 1HB ALA 14 -17.675 -1.517 15.511 92 HB2 ALA 14 2HB ALA 14 -18.624 -1.069 14.093 93 HB3 ALA 14 3HB ALA 14 -18.518 -2.759 14.585 94 H THR 15 H THR 15 -17.924 -3.242 11.770 95 HA THR 15 HA THR 15 -16.842 -5.862 12.523 96 HB THR 15 HB THR 15 -18.923 -5.529 10.400 97 HG1 THR 15 HG1 THR 15 -19.339 -4.348 12.576 98 HG21 THR 15 3HG2 THR 15 -18.593 -7.592 12.577 99 HG22 THR 15 1HG2 THR 15 -17.905 -7.741 10.961 100 HG23 THR 15 2HG2 THR 15 -19.655 -7.683 11.172 101 H TYR 16 H TYR 16 -15.035 -6.424 11.507 102 HA TYR 16 HA TYR 16 -14.742 -5.702 8.664 103 HB2 TYR 16 1HB TYR 16 -12.582 -6.092 10.745 104 HB3 TYR 16 2HB TYR 16 -12.294 -5.782 9.037 105 HD1 TYR 16 HD1 TYR 16 -13.928 -4.316 12.045 106 HD2 TYR 16 HD2 TYR 16 -12.121 -3.590 8.263 107 HE1 TYR 16 HE1 TYR 16 -14.008 -1.896 12.479 108 HE2 TYR 16 HE2 TYR 16 -12.194 -1.168 8.686 109 HH TYR 16 HH TYR 16 -12.668 0.166 11.655 110 HA PRO 17 HA PRO 17 -14.495 -9.960 7.629 111 HB2 PRO 17 1HB PRO 17 -12.773 -9.887 5.531 112 HB3 PRO 17 2HB PRO 17 -14.436 -9.296 5.430 113 HG2 PRO 17 1HG PRO 17 -11.899 -7.757 5.827 114 HG3 PRO 17 2HG PRO 17 -13.284 -7.380 4.786 115 HD2 PRO 17 1HD PRO 17 -12.911 -6.205 7.197 116 HD3 PRO 17 2HD PRO 17 -14.525 -6.529 6.532 117 H LYS 18 H LYS 18 -13.500 -11.445 8.828 118 HA LYS 18 HA LYS 18 -10.844 -11.107 9.824 119 HB2 LYS 18 1HB LYS 18 -12.763 -12.327 10.971 120 HB3 LYS 18 2HB LYS 18 -12.455 -13.657 9.862 121 HG2 LYS 18 1HG LYS 18 -10.464 -14.207 10.853 122 HG3 LYS 18 2HG LYS 18 -10.194 -12.574 11.469 123 HD2 LYS 18 1HD LYS 18 -12.234 -13.018 12.965 124 HD3 LYS 18 2HD LYS 18 -12.005 -14.716 12.542 125 HE2 LYS 18 1HE LYS 18 -9.964 -14.844 13.628 126 HE3 LYS 18 2HE LYS 18 -9.698 -13.103 13.548 127 HZ1 LYS 18 3HZ LYS 18 -11.083 -14.661 15.539 128 HZ2 LYS 18 1HZ LYS 18 -11.926 -13.278 15.048 129 HZ3 LYS 18 2HZ LYS 18 -10.358 -13.138 15.667 130 H ALA 19 H ALA 19 -9.005 -12.367 9.381 131 HA ALA 19 HA ALA 19 -8.521 -12.907 6.670 132 HB1 ALA 19 1HB ALA 19 -7.016 -13.676 9.160 133 HB2 ALA 19 2HB ALA 19 -6.428 -14.018 7.532 134 HB3 ALA 19 3HB ALA 19 -6.677 -12.350 8.047 135 H GLY 20 H GLY 20 -9.330 -14.512 5.495 136 HA2 GLY 20 1HA GLY 20 -9.373 -16.832 4.935 137 HA3 GLY 20 2HA GLY 20 -9.365 -17.213 6.651 138 H GLN 21 H GLN 21 -11.475 -14.853 6.679 139 HA GLN 21 HA GLN 21 -13.742 -16.661 6.539 140 HB2 GLN 21 1HB GLN 21 -13.187 -14.020 7.759 141 HB3 GLN 21 2HB GLN 21 -14.845 -14.305 7.248 142 HG2 GLN 21 1HG GLN 21 -14.480 -16.570 8.554 143 HG3 GLN 21 2HG GLN 21 -13.268 -15.605 9.395 144 HE21 GLN 21 2HE2 GLN 21 -14.468 -13.145 9.434 145 HE22 GLN 21 1HE2 GLN 21 -15.894 -13.210 10.407 146 H VAL 22 H VAL 22 -15.812 -15.799 5.577 147 HA VAL 22 HA VAL 22 -15.237 -14.860 2.873 148 HB VAL 22 HB VAL 22 -16.611 -16.853 3.049 149 HG11 VAL 22 1HG1 VAL 22 -18.500 -15.120 4.638 150 HG12 VAL 22 2HG1 VAL 22 -18.871 -16.739 4.043 151 HG13 VAL 22 3HG1 VAL 22 -17.588 -16.507 5.231 152 HG21 VAL 22 3HG2 VAL 22 -17.032 -15.343 1.181 153 HG22 VAL 22 1HG2 VAL 22 -18.522 -16.135 1.693 154 HG23 VAL 22 2HG2 VAL 22 -18.213 -14.459 2.147 155 H ALA 23 H ALA 23 -15.904 -12.950 2.057 156 HA ALA 23 HA ALA 23 -17.613 -11.248 3.747 157 HB1 ALA 23 1HB ALA 23 -15.122 -10.395 2.278 158 HB2 ALA 23 2HB ALA 23 -16.245 -9.304 3.090 159 HB3 ALA 23 3HB ALA 23 -15.335 -10.490 4.026 160 H VAL 24 H VAL 24 -19.129 -10.030 2.704 161 HA VAL 24 HA VAL 24 -19.334 -10.429 -0.208 162 HB VAL 24 HB VAL 24 -21.591 -9.790 1.692 163 HG11 VAL 24 1HG1 VAL 24 -23.045 -10.109 -0.098 164 HG12 VAL 24 2HG1 VAL 24 -21.706 -9.210 -0.815 165 HG13 VAL 24 3HG1 VAL 24 -21.830 -10.953 -1.059 166 HG21 VAL 24 3HG2 VAL 24 -21.895 -12.380 0.659 167 HG22 VAL 24 1HG2 VAL 24 -20.229 -12.273 1.227 168 HG23 VAL 24 2HG2 VAL 24 -21.560 -11.920 2.328 169 H VAL 25 H VAL 25 -18.947 -8.694 -1.400 170 HA VAL 25 HA VAL 25 -19.903 -6.082 -0.513 171 HB VAL 25 HB VAL 25 -17.881 -4.952 -0.666 172 HG11 VAL 25 1HG1 VAL 25 -16.423 -5.984 0.880 173 HG12 VAL 25 2HG1 VAL 25 -18.040 -6.569 1.278 174 HG13 VAL 25 3HG1 VAL 25 -16.923 -7.602 0.385 175 HG21 VAL 25 3HG2 VAL 25 -17.047 -7.241 -2.372 176 HG22 VAL 25 1HG2 VAL 25 -16.877 -5.507 -2.644 177 HG23 VAL 25 2HG2 VAL 25 -15.798 -6.333 -1.520 178 H HIS 26 H HIS 26 -19.545 -4.417 -2.306 179 HA HIS 26 HA HIS 26 -20.098 -5.713 -4.891 180 HB2 HIS 26 1HB HIS 26 -21.254 -3.356 -3.516 181 HB3 HIS 26 2HB HIS 26 -21.032 -3.209 -5.257 182 HD1 HIS 26 HD1 HIS 26 -22.962 -3.984 -6.582 183 HD2 HIS 26 HD2 HIS 26 -22.761 -5.892 -2.897 184 HE1 HIS 26 HE1 HIS 26 -24.993 -5.464 -6.479 185 H TYR 27 H TYR 27 -18.644 -5.466 -6.446 186 HA TYR 27 HA TYR 27 -16.599 -3.384 -6.141 187 HB2 TYR 27 1HB TYR 27 -15.219 -4.716 -7.620 188 HB3 TYR 27 2HB TYR 27 -15.840 -5.742 -6.332 189 HD1 TYR 27 HD2 TYR 27 -16.115 -4.920 -9.912 190 HD2 TYR 27 HD1 TYR 27 -17.319 -7.566 -6.806 191 HE1 TYR 27 HE2 TYR 27 -17.006 -6.478 -11.593 192 HE2 TYR 27 HE1 TYR 27 -18.212 -9.133 -8.479 193 HH TYR 27 HH TYR 27 -18.391 -8.291 -11.873 194 H THR 28 H THR 28 -16.279 -1.825 -7.641 195 HA THR 28 HA THR 28 -17.948 -1.893 -10.066 196 HB THR 28 HB THR 28 -17.422 0.569 -8.390 197 HG1 THR 28 HG1 THR 28 -18.929 -0.739 -7.347 198 HG21 THR 28 3HG2 THR 28 -19.586 0.611 -10.353 199 HG22 THR 28 1HG2 THR 28 -17.989 0.413 -11.074 200 HG23 THR 28 2HG2 THR 28 -18.323 1.800 -10.036 201 H GLY 29 H GLY 29 -16.795 -1.706 -11.869 202 HA2 GLY 29 1HA GLY 29 -14.005 -1.293 -11.870 203 HA3 GLY 29 2HA GLY 29 -15.039 -1.302 -13.291 204 H THR 30 H THR 30 -12.733 0.434 -12.340 205 HA THR 30 HA THR 30 -13.716 2.880 -13.406 206 HB THR 30 HB THR 30 -12.730 3.743 -10.871 207 HG1 THR 30 HG1 THR 30 -14.668 2.878 -9.693 208 HG21 THR 30 3HG2 THR 30 -15.349 3.948 -12.336 209 HG22 THR 30 1HG2 THR 30 -14.102 5.178 -12.138 210 HG23 THR 30 2HG2 THR 30 -15.097 4.702 -10.762 211 H LEU 31 H LEU 31 -12.072 4.145 -14.139 212 HA LEU 31 HA LEU 31 -9.369 3.103 -13.753 213 HB2 LEU 31 1HB LEU 31 -10.672 4.858 -15.794 214 HB3 LEU 31 2HB LEU 31 -8.919 4.858 -15.617 215 HG LEU 31 HG LEU 31 -10.625 2.469 -16.315 216 HD11 LEU 31 1HD1 LEU 31 -9.912 2.692 -18.514 217 HD12 LEU 31 2HD1 LEU 31 -8.596 3.783 -18.081 218 HD13 LEU 31 3HD1 LEU 31 -10.265 4.352 -18.032 219 HD21 LEU 31 3HD2 LEU 31 -7.733 2.809 -15.679 220 HD22 LEU 31 1HD2 LEU 31 -8.213 1.626 -16.897 221 HD23 LEU 31 2HD2 LEU 31 -8.836 1.500 -15.252 222 H ALA 32 H ALA 32 -7.576 4.607 -13.461 223 HA ALA 32 HA ALA 32 -7.918 6.292 -11.260 224 HB1 ALA 32 1HB ALA 32 -5.599 7.202 -12.376 225 HB2 ALA 32 2HB ALA 32 -5.736 5.794 -11.322 226 HB3 ALA 32 3HB ALA 32 -5.735 5.587 -13.074 227 H ASP 33 H ASP 33 -8.382 6.878 -14.618 228 HA ASP 33 HA ASP 33 -8.177 9.757 -14.397 229 HB2 ASP 33 1HB ASP 33 -7.535 8.534 -16.476 230 HB3 ASP 33 2HB ASP 33 -9.227 8.098 -16.697 231 H GLY 34 H GLY 34 -10.534 7.398 -13.807 232 HA2 GLY 34 1HA GLY 34 -12.546 8.136 -12.651 233 HA3 GLY 34 2HA GLY 34 -12.616 9.491 -13.768 234 H LYS 35 H LYS 35 -11.783 7.392 -15.896 235 HA LYS 35 HA LYS 35 -14.239 7.057 -17.108 236 HB2 LYS 35 1HB LYS 35 -11.820 6.650 -17.994 237 HB3 LYS 35 2HB LYS 35 -12.084 4.997 -17.452 238 HG2 LYS 35 1HG LYS 35 -13.732 4.604 -19.019 239 HG3 LYS 35 2HG LYS 35 -14.086 6.321 -19.229 240 HD2 LYS 35 1HD LYS 35 -11.369 5.360 -19.957 241 HD3 LYS 35 2HD LYS 35 -12.708 4.938 -21.027 242 HE2 LYS 35 1HE LYS 35 -12.313 7.759 -20.097 243 HE3 LYS 35 2HE LYS 35 -11.393 7.123 -21.459 244 HZ1 LYS 35 3HZ LYS 35 -14.250 6.645 -21.556 245 HZ2 LYS 35 1HZ LYS 35 -13.188 7.124 -22.783 246 HZ3 LYS 35 2HZ LYS 35 -13.788 8.267 -21.690 247 H VAL 36 H VAL 36 -15.976 6.045 -16.362 248 HA VAL 36 HA VAL 36 -15.903 4.047 -14.351 249 HB VAL 36 HB VAL 36 -17.827 5.620 -14.819 250 HG11 VAL 36 1HG1 VAL 36 -19.473 4.951 -16.475 251 HG12 VAL 36 2HG1 VAL 36 -17.918 5.260 -17.249 252 HG13 VAL 36 3HG1 VAL 36 -18.453 3.602 -16.972 253 HG21 VAL 36 3HG2 VAL 36 -19.211 3.085 -14.789 254 HG22 VAL 36 1HG2 VAL 36 -17.776 3.044 -13.764 255 HG23 VAL 36 2HG2 VAL 36 -19.013 4.273 -13.501 256 H PHE 37 H PHE 37 -16.164 1.849 -14.458 257 HA PHE 37 HA PHE 37 -16.158 0.643 -17.144 258 HB2 PHE 37 1HB PHE 37 -14.291 0.249 -14.875 259 HB3 PHE 37 2HB PHE 37 -14.783 -1.202 -15.742 260 HD1 PHE 37 HD1 PHE 37 -13.727 2.280 -16.589 261 HD2 PHE 37 HD2 PHE 37 -13.365 -1.883 -17.400 262 HE1 PHE 37 HE1 PHE 37 -12.064 2.768 -18.335 263 HE2 PHE 37 HE2 PHE 37 -11.701 -1.401 -19.147 264 HZ PHE 37 HZ PHE 37 -11.047 0.926 -19.616 265 H ASP 38 H ASP 38 -16.385 -1.946 -16.658 266 HA ASP 38 HA ASP 38 -19.062 -2.336 -16.003 267 HB2 ASP 38 1HB ASP 38 -17.513 -3.873 -17.329 268 HB3 ASP 38 2HB ASP 38 -16.956 -4.483 -15.774 269 H SER 39 H SER 39 -20.149 -2.709 -14.165 270 HA SER 39 HA SER 39 -18.584 -3.103 -11.699 271 HB2 SER 39 1HB SER 39 -20.053 -1.654 -10.499 272 HB3 SER 39 2HB SER 39 -19.606 -0.795 -11.973 273 HG SER 39 HG SER 39 -21.592 -1.116 -12.784 274 H SER 40 H SER 40 -19.698 -4.223 -9.973 275 HA SER 40 HA SER 40 -21.209 -6.454 -10.971 276 HB2 SER 40 1HB SER 40 -19.447 -6.197 -8.934 277 HB3 SER 40 2HB SER 40 -20.964 -6.079 -8.043 278 HG SER 40 HG SER 40 -21.578 -8.069 -8.931 279 H ARG 41 H ARG 41 -21.870 -3.544 -9.138 280 HA ARG 41 HA ARG 41 -24.394 -4.188 -8.127 281 HB2 ARG 41 1HB ARG 41 -24.772 -1.689 -8.161 282 HB3 ARG 41 2HB ARG 41 -23.327 -2.228 -7.315 283 HG2 ARG 41 1HG ARG 41 -21.927 -1.256 -8.797 284 HG3 ARG 41 2HG ARG 41 -23.002 -1.542 -10.168 285 HD2 ARG 41 1HD ARG 41 -22.687 0.871 -9.489 286 HD3 ARG 41 2HD ARG 41 -24.355 0.314 -9.618 287 HE ARG 41 HE ARG 41 -24.611 0.665 -7.369 288 HH11 ARG 41 1HH1 ARG 41 -21.219 0.681 -8.152 289 HH12 ARG 41 2HH1 ARG 41 -20.725 1.215 -6.580 290 HH21 ARG 41 1HH2 ARG 41 -23.973 1.368 -5.295 291 HH22 ARG 41 2HH2 ARG 41 -22.292 1.604 -4.955 292 H THR 42 H THR 42 -23.386 -3.151 -11.311 293 HA THR 42 HA THR 42 -25.911 -2.428 -12.331 294 HB THR 42 HB THR 42 -23.518 -3.522 -13.823 295 HG1 THR 42 HG1 THR 42 -24.239 -0.809 -13.782 296 HG21 THR 42 3HG2 THR 42 -26.013 -2.116 -14.764 297 HG22 THR 42 1HG2 THR 42 -25.421 -3.705 -15.245 298 HG23 THR 42 2HG2 THR 42 -24.552 -2.253 -15.741 299 H ARG 43 H ARG 43 -24.449 -5.496 -11.718 300 HA ARG 43 HA ARG 43 -26.405 -6.903 -13.372 301 HB2 ARG 43 1HB ARG 43 -23.951 -7.791 -11.866 302 HB3 ARG 43 2HB ARG 43 -25.097 -8.942 -12.540 303 HG2 ARG 43 1HG ARG 43 -24.717 -7.643 -14.751 304 HG3 ARG 43 2HG ARG 43 -23.255 -7.064 -13.950 305 HD2 ARG 43 1HD ARG 43 -22.716 -9.017 -15.245 306 HD3 ARG 43 2HD ARG 43 -22.608 -9.418 -13.532 307 HE ARG 43 HE ARG 43 -24.336 -10.898 -13.801 308 HH11 ARG 43 1HH1 ARG 43 -24.170 -8.806 -16.579 309 HH12 ARG 43 2HH1 ARG 43 -25.335 -9.708 -17.491 310 HH21 ARG 43 1HH2 ARG 43 -25.871 -12.094 -14.992 311 HH22 ARG 43 2HH2 ARG 43 -26.302 -11.578 -16.587 312 H GLY 44 H GLY 44 -26.514 -5.527 -10.474 313 HA2 GLY 44 1HA GLY 44 -27.701 -5.867 -8.535 314 HA3 GLY 44 2HA GLY 44 -28.787 -6.799 -9.556 315 H LYS 45 H LYS 45 -25.423 -7.457 -8.643 316 HA LYS 45 HA LYS 45 -26.250 -9.631 -6.907 317 HB2 LYS 45 1HB LYS 45 -26.235 -10.623 -9.183 318 HB3 LYS 45 2HB LYS 45 -24.545 -10.163 -9.347 319 HG2 LYS 45 1HG LYS 45 -23.976 -11.610 -7.452 320 HG3 LYS 45 2HG LYS 45 -25.670 -12.088 -7.322 321 HD2 LYS 45 1HD LYS 45 -24.206 -12.411 -9.913 322 HD3 LYS 45 2HD LYS 45 -24.007 -13.602 -8.625 323 HE2 LYS 45 1HE LYS 45 -26.530 -13.761 -8.564 324 HE3 LYS 45 2HE LYS 45 -26.539 -12.813 -10.050 325 HZ1 LYS 45 3HZ LYS 45 -24.778 -15.109 -10.077 326 HZ2 LYS 45 1HZ LYS 45 -25.853 -14.553 -11.260 327 HZ3 LYS 45 2HZ LYS 45 -26.424 -15.484 -9.968 328 HA PRO 46 HA PRO 46 -22.621 -7.875 -4.978 329 HB2 PRO 46 1HB PRO 46 -22.826 -9.318 -2.688 330 HB3 PRO 46 2HB PRO 46 -23.827 -7.901 -3.023 331 HG2 PRO 46 1HG PRO 46 -24.494 -10.804 -3.319 332 HG3 PRO 46 2HG PRO 46 -25.485 -9.490 -2.657 333 HD2 PRO 46 1HD PRO 46 -25.814 -10.437 -5.172 334 HD3 PRO 46 2HD PRO 46 -26.109 -8.739 -4.744 335 H PHE 47 H PHE 47 -20.520 -8.535 -4.658 336 HA PHE 47 HA PHE 47 -19.906 -11.263 -5.538 337 HB2 PHE 47 1HB PHE 47 -18.905 -9.122 -6.612 338 HB3 PHE 47 2HB PHE 47 -17.870 -9.080 -5.189 339 HD1 PHE 47 HD1 PHE 47 -18.993 -11.470 -7.823 340 HD2 PHE 47 HD2 PHE 47 -15.836 -10.137 -5.298 341 HE1 PHE 47 HE1 PHE 47 -17.464 -13.071 -8.896 342 HE2 PHE 47 HE2 PHE 47 -14.302 -11.736 -6.368 343 HZ PHE 47 HZ PHE 47 -15.115 -13.205 -8.169 344 H ARG 48 H ARG 48 -19.473 -12.722 -4.035 345 HA ARG 48 HA ARG 48 -18.311 -11.819 -1.484 346 HB2 ARG 48 1HB ARG 48 -19.311 -13.826 -0.476 347 HB3 ARG 48 2HB ARG 48 -20.528 -12.794 -1.216 348 HG2 ARG 48 1HG ARG 48 -21.087 -14.332 -2.765 349 HG3 ARG 48 2HG ARG 48 -19.433 -14.925 -2.930 350 HD2 ARG 48 1HD ARG 48 -19.673 -16.058 -0.739 351 HD3 ARG 48 2HD ARG 48 -21.358 -15.542 -0.693 352 HE ARG 48 HE ARG 48 -20.639 -17.026 -3.055 353 HH11 ARG 48 1HH1 ARG 48 -21.779 -17.211 0.230 354 HH12 ARG 48 2HH1 ARG 48 -22.535 -18.755 0.018 355 HH21 ARG 48 1HH2 ARG 48 -21.632 -19.059 -3.346 356 HH22 ARG 48 2HH2 ARG 48 -22.451 -19.806 -2.016 357 H PHE 49 H PHE 49 -16.565 -12.906 -0.615 358 HA PHE 49 HA PHE 49 -15.496 -15.286 -1.778 359 HB2 PHE 49 1HB PHE 49 -13.442 -14.370 -2.684 360 HB3 PHE 49 2HB PHE 49 -14.815 -13.604 -3.475 361 HD1 PHE 49 HD2 PHE 49 -12.043 -13.131 -1.134 362 HD2 PHE 49 HD1 PHE 49 -15.299 -11.272 -3.148 363 HE1 PHE 49 HE2 PHE 49 -11.145 -10.919 -0.536 364 HE2 PHE 49 HE1 PHE 49 -14.406 -9.057 -2.555 365 HZ PHE 49 HZ PHE 49 -12.328 -8.879 -1.246 366 H THR 50 H THR 50 -13.360 -15.858 -0.781 367 HA THR 50 HA THR 50 -13.456 -15.213 2.042 368 HB THR 50 HB THR 50 -11.685 -17.139 0.526 369 HG1 THR 50 HG1 THR 50 -13.991 -17.538 2.158 370 HG21 THR 50 3HG2 THR 50 -11.886 -16.424 3.425 371 HG22 THR 50 1HG2 THR 50 -10.452 -16.712 2.442 372 HG23 THR 50 2HG2 THR 50 -11.457 -18.068 2.952 373 H VAL 51 H VAL 51 -12.447 -13.449 2.742 374 HA VAL 51 HA VAL 51 -10.415 -12.087 1.345 375 HB VAL 51 HB VAL 51 -10.959 -11.880 4.306 376 HG11 VAL 51 1HG1 VAL 51 -9.606 -10.149 2.276 377 HG12 VAL 51 2HG1 VAL 51 -10.341 -9.434 3.712 378 HG13 VAL 51 3HG1 VAL 51 -9.055 -10.630 3.880 379 HG21 VAL 51 3HG2 VAL 51 -13.081 -11.527 3.492 380 HG22 VAL 51 1HG2 VAL 51 -12.418 -9.894 3.412 381 HG23 VAL 51 2HG2 VAL 51 -12.502 -10.884 1.955 382 H GLY 52 H GLY 52 -8.521 -13.059 0.919 383 HA2 GLY 52 1HA GLY 52 -6.287 -13.309 1.959 384 HA3 GLY 52 2HA GLY 52 -7.081 -14.264 3.203 385 H ARG 53 H ARG 53 -8.760 -15.316 0.775 386 HA ARG 53 HA ARG 53 -7.204 -17.697 0.444 387 HB2 ARG 53 1HB ARG 53 -9.909 -16.769 -0.306 388 HB3 ARG 53 2HB ARG 53 -9.198 -17.980 -1.365 389 HG2 ARG 53 1HG ARG 53 -9.430 -18.288 1.619 390 HG3 ARG 53 2HG ARG 53 -10.616 -18.897 0.463 391 HD2 ARG 53 1HD ARG 53 -8.656 -20.110 -0.638 392 HD3 ARG 53 2HD ARG 53 -7.755 -19.735 0.830 393 HE ARG 53 HE ARG 53 -9.820 -21.707 0.521 394 HH11 ARG 53 1HH1 ARG 53 -8.160 -19.635 2.772 395 HH12 ARG 53 2HH1 ARG 53 -8.521 -20.623 4.149 396 HH21 ARG 53 1HH2 ARG 53 -10.303 -23.016 2.325 397 HH22 ARG 53 2HH2 ARG 53 -9.740 -22.546 3.893 398 H GLY 54 H GLY 54 -7.098 -18.631 -1.903 399 HA2 GLY 54 1HA GLY 54 -5.588 -16.666 -3.463 400 HA3 GLY 54 2HA GLY 54 -5.513 -18.412 -3.647 401 H GLU 55 H GLU 55 -8.605 -16.873 -3.412 402 HA GLU 55 HA GLU 55 -9.146 -17.625 -6.185 403 HB2 GLU 55 1HB GLU 55 -11.111 -16.715 -4.080 404 HB3 GLU 55 2HB GLU 55 -11.483 -17.485 -5.616 405 HG2 GLU 55 1HG GLU 55 -9.908 -18.812 -3.426 406 HG3 GLU 55 2HG GLU 55 -11.655 -18.964 -3.612 407 H VAL 56 H VAL 56 -8.678 -14.860 -4.198 408 HA VAL 56 HA VAL 56 -9.664 -13.104 -6.350 409 HB VAL 56 HB VAL 56 -9.654 -11.306 -4.581 410 HG11 VAL 56 1HG1 VAL 56 -11.513 -13.471 -3.714 411 HG12 VAL 56 2HG1 VAL 56 -11.827 -11.756 -3.983 412 HG13 VAL 56 3HG1 VAL 56 -11.628 -12.843 -5.358 413 HG21 VAL 56 3HG2 VAL 56 -8.926 -11.699 -2.513 414 HG22 VAL 56 1HG2 VAL 56 -9.931 -13.141 -2.368 415 HG23 VAL 56 2HG2 VAL 56 -8.328 -13.252 -3.094 416 H ILE 57 H ILE 57 -8.439 -10.822 -6.023 417 HA ILE 57 HA ILE 57 -5.616 -11.466 -6.456 418 HB ILE 57 HB ILE 57 -5.485 -9.154 -7.404 419 HG12 ILE 57 1HG1 ILE 57 -8.448 -9.072 -7.621 420 HG13 ILE 57 2HG1 ILE 57 -7.751 -8.631 -6.067 421 HG21 ILE 57 1HG2 ILE 57 -6.815 -9.716 -9.461 422 HG22 ILE 57 2HG2 ILE 57 -5.698 -10.968 -8.921 423 HG23 ILE 57 3HG2 ILE 57 -7.423 -11.125 -8.593 424 HD11 ILE 57 3HD1 ILE 57 -8.107 -6.668 -7.421 425 HD12 ILE 57 1HD1 ILE 57 -6.380 -6.934 -7.185 426 HD13 ILE 57 2HD1 ILE 57 -7.135 -7.358 -8.721 427 H ARG 58 H ARG 58 -3.977 -9.946 -5.654 428 HA ARG 58 HA ARG 58 -3.999 -9.657 -2.914 429 HB2 ARG 58 1HB ARG 58 -2.459 -7.977 -4.903 430 HB3 ARG 58 2HB ARG 58 -2.080 -8.147 -3.194 431 HG2 ARG 58 1HG ARG 58 -2.074 -10.730 -3.908 432 HG3 ARG 58 2HG ARG 58 -1.593 -9.993 -5.438 433 HD2 ARG 58 1HD ARG 58 0.324 -9.032 -4.503 434 HD3 ARG 58 2HD ARG 58 -0.269 -9.237 -2.856 435 HE ARG 58 HE ARG 58 0.113 -11.725 -4.223 436 HH11 ARG 58 1HH1 ARG 58 1.699 -9.213 -2.407 437 HH12 ARG 58 2HH1 ARG 58 2.979 -10.241 -1.853 438 HH21 ARG 58 1HH2 ARG 58 1.793 -13.088 -3.501 439 HH22 ARG 58 2HH2 ARG 58 3.032 -12.445 -2.477 440 H GLY 59 H GLY 59 -4.795 -7.218 -5.372 441 HA2 GLY 59 1HA GLY 59 -5.157 -4.996 -3.790 442 HA3 GLY 59 2HA GLY 59 -6.106 -5.334 -5.230 443 H TRP 60 H TRP 60 -7.794 -7.208 -4.735 444 HA TRP 60 HA TRP 60 -9.739 -6.111 -3.080 445 HB2 TRP 60 1HB TRP 60 -9.376 -8.847 -4.269 446 HB3 TRP 60 2HB TRP 60 -10.740 -8.501 -3.211 447 HD1 TRP 60 HD1 TRP 60 -10.422 -5.370 -4.844 448 HE1 TRP 60 HE1 TRP 60 -11.880 -5.191 -6.958 449 HE3 TRP 60 HE3 TRP 60 -11.415 -10.332 -5.566 450 HZ2 TRP 60 HZ2 TRP 60 -13.269 -6.925 -8.700 451 HZ3 TRP 60 HZ3 TRP 60 -12.817 -10.988 -7.479 452 HH2 TRP 60 HH2 TRP 60 -13.724 -9.318 -9.012 453 H ASP 61 H ASP 61 -7.433 -8.720 -2.432 454 HA ASP 61 HA ASP 61 -8.323 -9.601 0.017 455 HB2 ASP 61 1HB ASP 61 -6.205 -10.223 -1.477 456 HB3 ASP 61 2HB ASP 61 -5.387 -9.203 -0.298 457 H GLU 62 H GLU 62 -5.754 -7.154 -0.391 458 HA GLU 62 HA GLU 62 -5.790 -6.330 2.302 459 HB2 GLU 62 1HB GLU 62 -4.837 -4.854 -0.159 460 HB3 GLU 62 2HB GLU 62 -4.495 -4.373 1.497 461 HG2 GLU 62 1HG GLU 62 -3.726 -7.075 0.458 462 HG3 GLU 62 2HG GLU 62 -2.698 -5.662 0.229 463 H GLY 63 H GLY 63 -7.276 -4.919 -0.605 464 HA2 GLY 63 1HA GLY 63 -8.368 -2.627 0.463 465 HA3 GLY 63 2HA GLY 63 -9.111 -3.554 -0.831 466 H VAL 64 H VAL 64 -10.207 -5.657 0.061 467 HA VAL 64 HA VAL 64 -12.378 -4.847 1.640 468 HB VAL 64 HB VAL 64 -12.334 -6.780 0.011 469 HG11 VAL 64 1HG1 VAL 64 -11.483 -8.537 2.255 470 HG12 VAL 64 2HG1 VAL 64 -11.377 -8.796 0.512 471 HG13 VAL 64 3HG1 VAL 64 -10.238 -7.713 1.315 472 HG21 VAL 64 3HG2 VAL 64 -14.243 -6.377 1.451 473 HG22 VAL 64 1HG2 VAL 64 -13.956 -8.111 1.302 474 HG23 VAL 64 2HG2 VAL 64 -13.467 -7.258 2.767 475 H ALA 65 H ALA 65 -9.344 -6.389 2.466 476 HA ALA 65 HA ALA 65 -9.953 -7.321 5.025 477 HB1 ALA 65 1HB ALA 65 -7.396 -6.756 5.373 478 HB2 ALA 65 2HB ALA 65 -7.917 -8.081 4.331 479 HB3 ALA 65 3HB ALA 65 -7.454 -6.533 3.624 480 H GLN 66 H GLN 66 -8.977 -4.115 3.919 481 HA GLN 66 HA GLN 66 -9.117 -3.100 6.660 482 HB2 GLN 66 1HB GLN 66 -8.072 -1.094 5.817 483 HB3 GLN 66 2HB GLN 66 -7.169 -2.492 5.247 484 HG2 GLN 66 1HG GLN 66 -8.163 -2.307 3.066 485 HG3 GLN 66 2HG GLN 66 -9.216 -1.006 3.618 486 HE21 GLN 66 2HE2 GLN 66 -6.201 -1.822 2.311 487 HE22 GLN 66 1HE2 GLN 66 -5.493 -0.247 2.331 488 H MET 67 H MET 67 -11.456 -3.909 4.948 489 HA MET 67 HA MET 67 -12.857 -1.323 4.847 490 HB2 MET 67 1HB MET 67 -13.262 -3.907 3.366 491 HB3 MET 67 2HB MET 67 -14.557 -2.724 3.490 492 HG2 MET 67 1HG MET 67 -11.890 -1.814 2.549 493 HG3 MET 67 2HG MET 67 -12.904 -2.748 1.451 494 HE1 MET 67 3HE MET 67 -15.910 -0.701 0.742 495 HE2 MET 67 1HE MET 67 -15.293 -2.313 1.105 496 HE3 MET 67 2HE MET 67 -16.055 -1.355 2.374 497 H SER 68 H SER 68 -15.030 -1.215 5.642 498 HA SER 68 HA SER 68 -15.610 -3.233 7.711 499 HB2 SER 68 1HB SER 68 -16.790 -1.290 8.894 500 HB3 SER 68 2HB SER 68 -15.027 -1.261 8.886 501 HG SER 68 HG SER 68 -16.609 0.630 8.067 502 H VAL 69 H VAL 69 -17.781 -3.779 8.078 503 HA VAL 69 HA VAL 69 -19.401 -4.070 5.851 504 HB VAL 69 HB VAL 69 -20.231 -4.030 8.755 505 HG11 VAL 69 1HG1 VAL 69 -22.147 -5.422 7.939 506 HG12 VAL 69 2HG1 VAL 69 -22.194 -3.733 7.432 507 HG13 VAL 69 3HG1 VAL 69 -21.685 -4.982 6.295 508 HG21 VAL 69 3HG2 VAL 69 -18.526 -5.697 8.273 509 HG22 VAL 69 1HG2 VAL 69 -20.079 -6.474 8.576 510 HG23 VAL 69 2HG2 VAL 69 -19.483 -6.310 6.925 511 H GLY 70 H GLY 70 -20.764 -2.785 4.781 512 HA2 GLY 70 1HA GLY 70 -22.309 -1.091 4.411 513 HA3 GLY 70 2HA GLY 70 -22.157 -0.625 6.099 514 H GLN 71 H GLN 71 -19.130 -0.913 4.693 515 HA GLN 71 HA GLN 71 -18.957 2.004 4.411 516 HB2 GLN 71 1HB GLN 71 -17.462 0.629 6.022 517 HB3 GLN 71 2HB GLN 71 -16.593 0.158 4.567 518 HG2 GLN 71 1HG GLN 71 -16.754 2.876 4.302 519 HG3 GLN 71 2HG GLN 71 -16.562 2.669 6.042 520 HE21 GLN 71 2HE2 GLN 71 -15.085 2.380 2.944 521 HE22 GLN 71 1HE2 GLN 71 -13.496 1.987 3.498 522 H ARG 72 H ARG 72 -18.334 2.957 2.545 523 HA ARG 72 HA ARG 72 -17.673 1.184 0.285 524 HB2 ARG 72 1HB ARG 72 -19.878 2.018 -0.095 525 HB3 ARG 72 2HB ARG 72 -19.405 3.652 0.350 526 HG2 ARG 72 1HG ARG 72 -18.314 4.024 -1.654 527 HG3 ARG 72 2HG ARG 72 -18.124 2.301 -1.985 528 HD2 ARG 72 1HD ARG 72 -19.795 3.039 -3.466 529 HD3 ARG 72 2HD ARG 72 -20.654 2.210 -2.168 530 HE ARG 72 HE ARG 72 -20.686 4.773 -1.348 531 HH11 ARG 72 1HH1 ARG 72 -21.520 3.253 -4.367 532 HH12 ARG 72 2HH1 ARG 72 -22.729 4.426 -4.773 533 HH21 ARG 72 1HH2 ARG 72 -22.274 6.324 -1.872 534 HH22 ARG 72 2HH2 ARG 72 -23.156 6.173 -3.354 535 H ALA 73 H ALA 73 -15.927 1.687 -0.915 536 HA ALA 73 HA ALA 73 -14.793 4.337 -0.924 537 HB1 ALA 73 1HB ALA 73 -13.932 3.415 1.197 538 HB2 ALA 73 2HB ALA 73 -13.184 2.097 0.294 539 HB3 ALA 73 3HB ALA 73 -12.653 3.758 0.032 540 H LYS 74 H LYS 74 -12.755 4.391 -2.261 541 HA LYS 74 HA LYS 74 -13.121 2.630 -4.561 542 HB2 LYS 74 1HB LYS 74 -11.704 5.249 -4.143 543 HB3 LYS 74 2HB LYS 74 -11.406 4.275 -5.577 544 HG2 LYS 74 1HG LYS 74 -14.036 4.317 -5.734 545 HG3 LYS 74 2HG LYS 74 -13.835 5.784 -4.774 546 HD2 LYS 74 1HD LYS 74 -12.153 6.532 -6.510 547 HD3 LYS 74 2HD LYS 74 -12.707 5.181 -7.500 548 HE2 LYS 74 1HE LYS 74 -15.069 6.183 -7.057 549 HE3 LYS 74 2HE LYS 74 -14.173 7.650 -6.663 550 HZ1 LYS 74 3HZ LYS 74 -14.941 7.379 -9.044 551 HZ2 LYS 74 1HZ LYS 74 -13.745 6.192 -9.201 552 HZ3 LYS 74 2HZ LYS 74 -13.313 7.782 -8.819 553 H LEU 75 H LEU 75 -11.872 0.912 -4.842 554 HA LEU 75 HA LEU 75 -9.419 0.643 -3.295 555 HB2 LEU 75 1HB LEU 75 -11.377 -1.122 -3.830 556 HB3 LEU 75 2HB LEU 75 -10.262 -1.502 -5.140 557 HG LEU 75 HG LEU 75 -9.623 -1.590 -2.191 558 HD11 LEU 75 1HD1 LEU 75 -10.531 -3.612 -2.242 559 HD12 LEU 75 2HD1 LEU 75 -9.279 -4.091 -3.388 560 HD13 LEU 75 3HD1 LEU 75 -10.830 -3.493 -3.976 561 HD21 LEU 75 3HD2 LEU 75 -7.636 -1.009 -3.340 562 HD22 LEU 75 1HD2 LEU 75 -7.972 -2.147 -4.645 563 HD23 LEU 75 2HD2 LEU 75 -7.548 -2.746 -3.041 564 H VAL 76 H VAL 76 -7.894 1.893 -4.302 565 HA VAL 76 HA VAL 76 -7.383 1.411 -7.152 566 HB VAL 76 HB VAL 76 -7.572 3.741 -6.663 567 HG11 VAL 76 1HG1 VAL 76 -6.272 2.998 -4.211 568 HG12 VAL 76 2HG1 VAL 76 -5.430 4.354 -4.965 569 HG13 VAL 76 3HG1 VAL 76 -7.153 4.473 -4.607 570 HG21 VAL 76 3HG2 VAL 76 -5.681 4.480 -7.723 571 HG22 VAL 76 1HG2 VAL 76 -4.609 3.482 -6.741 572 HG23 VAL 76 2HG2 VAL 76 -5.551 2.750 -8.040 573 H CYS 77 H CYS 77 -6.102 -0.326 -7.385 574 HA CYS 77 HA CYS 77 -3.585 -0.363 -5.858 575 HB2 CYS 77 1HB CYS 77 -3.662 -2.803 -5.826 576 HB3 CYS 77 2HB CYS 77 -5.096 -2.135 -5.056 577 HG CYS 77 HG CYS 77 -6.813 -2.677 -7.144 578 H SER 78 H SER 78 -1.824 -1.547 -6.948 579 HA SER 78 HA SER 78 -1.577 -0.686 -9.653 580 HB2 SER 78 1HB SER 78 0.157 -1.742 -7.592 581 HB3 SER 78 2HB SER 78 0.488 -2.517 -9.140 582 HG SER 78 HG SER 78 1.708 -0.658 -9.027 583 HA PRO 79 HA PRO 79 -2.794 -4.193 -11.989 584 HB2 PRO 79 1HB PRO 79 -0.819 -4.441 -13.835 585 HB3 PRO 79 2HB PRO 79 -2.003 -3.129 -13.865 586 HG2 PRO 79 1HG PRO 79 0.808 -3.121 -12.836 587 HG3 PRO 79 2HG PRO 79 -0.032 -1.896 -13.804 588 HD2 PRO 79 1HD PRO 79 0.308 -1.656 -11.128 589 HD3 PRO 79 2HD PRO 79 -1.113 -1.008 -11.972 590 H ASP 80 H ASP 80 0.500 -4.269 -10.753 591 HA ASP 80 HA ASP 80 1.041 -6.989 -11.244 592 HB2 ASP 80 1HB ASP 80 2.127 -5.292 -8.989 593 HB3 ASP 80 2HB ASP 80 2.857 -6.748 -9.659 594 H TYR 81 H TYR 81 -0.872 -5.398 -8.850 595 HA TYR 81 HA TYR 81 -1.096 -7.885 -7.299 596 HB2 TYR 81 1HB TYR 81 -1.433 -5.000 -6.635 597 HB3 TYR 81 2HB TYR 81 -2.423 -6.163 -5.760 598 HD1 TYR 81 HD2 TYR 81 1.001 -6.851 -6.950 599 HD2 TYR 81 HD1 TYR 81 -1.434 -5.836 -3.611 600 HE1 TYR 81 HE2 TYR 81 2.887 -7.314 -5.441 601 HE2 TYR 81 HE1 TYR 81 0.446 -6.295 -2.093 602 HH TYR 81 HH TYR 81 3.200 -6.260 -2.513 603 H ALA 82 H ALA 82 -2.467 -6.866 -9.905 604 HA ALA 82 HA ALA 82 -5.100 -7.894 -9.172 605 HB1 ALA 82 1HB ALA 82 -5.171 -5.390 -9.045 606 HB2 ALA 82 2HB ALA 82 -4.839 -5.360 -10.777 607 HB3 ALA 82 3HB ALA 82 -6.316 -6.112 -10.176 608 H TYR 83 H TYR 83 -6.365 -7.433 -11.608 609 HA TYR 83 HA TYR 83 -5.125 -9.469 -13.219 610 HB2 TYR 83 1HB TYR 83 -7.501 -7.892 -14.133 611 HB3 TYR 83 2HB TYR 83 -7.138 -9.598 -14.368 612 HD1 TYR 83 HD1 TYR 83 -7.428 -11.188 -12.458 613 HD2 TYR 83 HD2 TYR 83 -8.760 -7.151 -12.264 614 HE1 TYR 83 HE1 TYR 83 -8.876 -11.763 -10.555 615 HE2 TYR 83 HE2 TYR 83 -10.211 -7.715 -10.360 616 HH TYR 83 HH TYR 83 -10.814 -10.967 -9.410 617 H GLY 84 H GLY 84 -4.525 -6.273 -12.936 618 HA2 GLY 84 1HA GLY 84 -4.526 -5.139 -15.442 619 HA3 GLY 84 2HA GLY 84 -3.297 -4.819 -14.227 620 H SER 85 H SER 85 -2.401 -7.629 -14.217 621 HA SER 85 HA SER 85 -0.262 -7.476 -15.940 622 HB2 SER 85 1HB SER 85 -0.096 -9.110 -14.266 623 HB3 SER 85 2HB SER 85 -1.658 -9.820 -14.673 624 HG SER 85 HG SER 85 0.593 -10.738 -15.431 625 H ARG 86 H ARG 86 -2.906 -9.802 -16.474 626 HA ARG 86 HA ARG 86 -2.320 -10.262 -19.165 627 HB2 ARG 86 1HB ARG 86 -3.901 -11.515 -17.484 628 HB3 ARG 86 2HB ARG 86 -5.133 -10.458 -18.162 629 HG2 ARG 86 1HG ARG 86 -3.387 -12.018 -20.003 630 HG3 ARG 86 2HG ARG 86 -4.709 -12.830 -19.163 631 HD2 ARG 86 1HD ARG 86 -6.283 -11.181 -20.067 632 HD3 ARG 86 2HD ARG 86 -4.956 -10.388 -20.917 633 HE ARG 86 HE ARG 86 -5.087 -12.000 -22.528 634 HH11 ARG 86 1HH1 ARG 86 -6.700 -13.143 -19.663 635 HH12 ARG 86 2HH1 ARG 86 -7.312 -14.576 -20.421 636 HH21 ARG 86 1HH2 ARG 86 -5.887 -13.882 -23.538 637 HH22 ARG 86 2HH2 ARG 86 -6.848 -14.996 -22.625 638 H GLY 87 H GLY 87 -4.978 -8.291 -17.818 639 HA2 GLY 87 1HA GLY 87 -6.014 -6.410 -18.637 640 HA3 GLY 87 2HA GLY 87 -4.607 -6.174 -19.663 641 H HIS 88 H HIS 88 -7.527 -5.872 -20.181 642 HA HIS 88 HA HIS 88 -7.585 -7.471 -22.638 643 HB2 HIS 88 1HB HIS 88 -9.564 -7.505 -20.431 644 HB3 HIS 88 2HB HIS 88 -10.218 -7.452 -22.065 645 HD1 HIS 88 HD1 HIS 88 -8.446 -9.334 -23.577 646 HD2 HIS 88 HD2 HIS 88 -9.721 -10.099 -19.697 647 HE1 HIS 88 HE1 HIS 88 -8.276 -11.827 -23.292 648 HA PRO 89 HA PRO 89 -8.790 -3.756 -24.635 649 HB2 PRO 89 1HB PRO 89 -10.427 -4.684 -26.591 650 HB3 PRO 89 2HB PRO 89 -8.674 -4.912 -26.617 651 HG2 PRO 89 1HG PRO 89 -10.820 -6.823 -25.779 652 HG3 PRO 89 2HG PRO 89 -9.372 -7.126 -26.757 653 HD2 PRO 89 1HD PRO 89 -9.512 -7.758 -24.128 654 HD3 PRO 89 2HD PRO 89 -7.999 -7.258 -24.911 655 H GLY 90 H GLY 90 -10.076 -2.323 -23.647 656 HA2 GLY 90 1HA GLY 90 -12.042 -1.214 -23.145 657 HA3 GLY 90 2HA GLY 90 -12.928 -2.513 -23.929 658 H VAL 91 H VAL 91 -10.771 -3.710 -21.642 659 HA VAL 91 HA VAL 91 -12.861 -3.758 -19.565 660 HB VAL 91 HB VAL 91 -11.020 -6.064 -20.206 661 HG11 VAL 91 1HG1 VAL 91 -12.275 -5.521 -17.869 662 HG12 VAL 91 2HG1 VAL 91 -13.505 -6.481 -18.693 663 HG13 VAL 91 3HG1 VAL 91 -11.891 -7.146 -18.436 664 HG21 VAL 91 3HG2 VAL 91 -12.444 -6.007 -22.051 665 HG22 VAL 91 1HG2 VAL 91 -13.245 -7.125 -20.947 666 HG23 VAL 91 2HG2 VAL 91 -13.821 -5.464 -21.093 667 H ILE 92 H ILE 92 -9.410 -4.481 -20.114 668 HA ILE 92 HA ILE 92 -8.741 -2.891 -17.759 669 HB ILE 92 HB ILE 92 -7.817 -5.747 -18.098 670 HG12 ILE 92 1HG1 ILE 92 -9.593 -4.464 -16.010 671 HG13 ILE 92 2HG1 ILE 92 -10.115 -5.588 -17.261 672 HG21 ILE 92 1HG2 ILE 92 -6.577 -5.445 -16.060 673 HG22 ILE 92 2HG2 ILE 92 -6.093 -4.202 -17.213 674 HG23 ILE 92 3HG2 ILE 92 -7.184 -3.798 -15.888 675 HD11 ILE 92 3HD1 ILE 92 -9.955 -6.907 -15.367 676 HD12 ILE 92 1HD1 ILE 92 -8.432 -7.213 -16.201 677 HD13 ILE 92 2HD1 ILE 92 -8.477 -6.117 -14.820 678 HA PRO 93 HA PRO 93 -5.537 -1.586 -20.512 679 HB2 PRO 93 1HB PRO 93 -4.055 -0.208 -18.702 680 HB3 PRO 93 2HB PRO 93 -5.580 0.401 -19.358 681 HG2 PRO 93 1HG PRO 93 -5.050 -0.956 -16.743 682 HG3 PRO 93 2HG PRO 93 -6.065 0.457 -17.085 683 HD2 PRO 93 1HD PRO 93 -7.091 -2.026 -16.745 684 HD3 PRO 93 2HD PRO 93 -7.824 -0.831 -17.834 685 HA PRO 94 HA PRO 94 -2.180 -4.398 -20.075 686 HB2 PRO 94 1HB PRO 94 -0.183 -3.013 -21.284 687 HB3 PRO 94 2HB PRO 94 -1.520 -3.747 -22.177 688 HG2 PRO 94 1HG PRO 94 -1.149 -0.902 -21.322 689 HG3 PRO 94 2HG PRO 94 -1.733 -1.537 -22.871 690 HD2 PRO 94 1HD PRO 94 -3.403 -0.588 -20.962 691 HD3 PRO 94 2HD PRO 94 -3.859 -1.906 -22.061 692 H ASN 95 H ASN 95 -1.698 -4.575 -17.913 693 HA ASN 95 HA ASN 95 -0.677 -4.194 -15.905 694 HB2 ASN 95 1HB ASN 95 1.643 -3.056 -17.432 695 HB3 ASN 95 2HB ASN 95 1.654 -4.111 -16.023 696 HD21 ASN 95 2HD2 ASN 95 1.530 -3.921 -19.448 697 HD22 ASN 95 1HD2 ASN 95 1.601 -5.618 -19.765 698 H ALA 96 H ALA 96 -2.403 -2.286 -16.056 699 HA ALA 96 HA ALA 96 -0.938 0.163 -15.324 700 HB1 ALA 96 1HB ALA 96 -3.650 0.553 -16.385 701 HB2 ALA 96 2HB ALA 96 -2.175 1.482 -16.659 702 HB3 ALA 96 3HB ALA 96 -2.459 -0.009 -17.558 703 H THR 97 H THR 97 -1.873 1.439 -13.679 704 HA THR 97 HA THR 97 -2.956 0.068 -11.524 705 HB THR 97 HB THR 97 -3.587 2.971 -11.786 706 HG1 THR 97 HG1 THR 97 -1.488 3.562 -11.726 707 HG21 THR 97 3HG2 THR 97 -2.204 1.459 -9.576 708 HG22 THR 97 1HG2 THR 97 -3.958 1.579 -9.708 709 HG23 THR 97 2HG2 THR 97 -2.988 3.036 -9.486 710 H LEU 98 H LEU 98 -4.999 -0.193 -10.690 711 HA LEU 98 HA LEU 98 -7.248 0.718 -12.354 712 HB2 LEU 98 1HB LEU 98 -7.330 -1.924 -10.961 713 HB3 LEU 98 2HB LEU 98 -8.283 -1.355 -12.329 714 HG LEU 98 HG LEU 98 -5.346 -2.013 -12.493 715 HD11 LEU 98 1HD1 LEU 98 -7.558 -3.753 -13.518 716 HD12 LEU 98 2HD1 LEU 98 -6.934 -3.935 -11.879 717 HD13 LEU 98 3HD1 LEU 98 -5.859 -4.149 -13.260 718 HD21 LEU 98 3HD2 LEU 98 -6.212 -2.272 -14.971 719 HD22 LEU 98 1HD2 LEU 98 -5.735 -0.702 -14.323 720 HD23 LEU 98 2HD2 LEU 98 -7.442 -1.137 -14.413 721 H THR 99 H THR 99 -9.150 1.219 -11.271 722 HA THR 99 HA THR 99 -8.981 1.239 -8.328 723 HB THR 99 HB THR 99 -10.201 3.405 -10.050 724 HG1 THR 99 HG1 THR 99 -8.132 3.930 -10.157 725 HG21 THR 99 3HG2 THR 99 -11.351 3.859 -8.181 726 HG22 THR 99 1HG2 THR 99 -9.814 4.399 -7.508 727 HG23 THR 99 2HG2 THR 99 -10.377 2.753 -7.213 728 H PHE 100 H PHE 100 -10.350 -0.374 -7.797 729 HA PHE 100 HA PHE 100 -12.995 -0.440 -9.072 730 HB2 PHE 100 1HB PHE 100 -11.537 -2.528 -7.440 731 HB3 PHE 100 2HB PHE 100 -13.171 -2.718 -8.068 732 HD1 PHE 100 HD1 PHE 100 -9.617 -2.514 -8.941 733 HD2 PHE 100 HD2 PHE 100 -13.567 -3.156 -10.391 734 HE1 PHE 100 HE1 PHE 100 -8.698 -3.378 -11.053 735 HE2 PHE 100 HE2 PHE 100 -12.654 -4.022 -12.505 736 HZ PHE 100 HZ PHE 100 -10.216 -4.135 -12.838 737 H ASP 101 H ASP 101 -14.629 0.440 -8.010 738 HA ASP 101 HA ASP 101 -14.404 1.303 -5.303 739 HB2 ASP 101 1HB ASP 101 -15.920 2.106 -7.396 740 HB3 ASP 101 2HB ASP 101 -17.100 1.143 -6.512 741 H VAL 102 H VAL 102 -14.517 -0.012 -3.615 742 HA VAL 102 HA VAL 102 -16.181 -2.425 -3.783 743 HB VAL 102 HB VAL 102 -14.052 -1.716 -1.759 744 HG11 VAL 102 1HG1 VAL 102 -14.563 -4.492 -1.869 745 HG12 VAL 102 2HG1 VAL 102 -14.863 -3.379 -0.532 746 HG13 VAL 102 3HG1 VAL 102 -16.121 -3.679 -1.731 747 HG21 VAL 102 3HG2 VAL 102 -13.954 -3.641 -4.081 748 HG22 VAL 102 1HG2 VAL 102 -13.138 -2.080 -4.003 749 HG23 VAL 102 2HG2 VAL 102 -12.674 -3.374 -2.898 750 H GLU 103 H GLU 103 -17.934 -2.711 -2.532 751 HA GLU 103 HA GLU 103 -18.441 -0.761 -0.386 752 HB2 GLU 103 1HB GLU 103 -19.873 -0.008 -2.085 753 HB3 GLU 103 2HB GLU 103 -20.264 -1.641 -2.605 754 HG2 GLU 103 1HG GLU 103 -22.141 -0.591 -1.473 755 HG3 GLU 103 2HG GLU 103 -21.561 -1.999 -0.586 756 H LEU 104 H LEU 104 -18.169 -1.984 1.387 757 HA LEU 104 HA LEU 104 -18.759 -4.738 1.567 758 HB2 LEU 104 1HB LEU 104 -17.300 -3.102 3.054 759 HB3 LEU 104 2HB LEU 104 -18.783 -3.037 4.005 760 HG LEU 104 HG LEU 104 -17.594 -4.699 5.069 761 HD11 LEU 104 1HD1 LEU 104 -19.848 -5.468 4.308 762 HD12 LEU 104 2HD1 LEU 104 -18.699 -6.764 4.637 763 HD13 LEU 104 3HD1 LEU 104 -19.048 -6.298 2.973 764 HD21 LEU 104 3HD2 LEU 104 -15.748 -5.517 4.153 765 HD22 LEU 104 1HD2 LEU 104 -16.231 -4.890 2.577 766 HD23 LEU 104 2HD2 LEU 104 -16.730 -6.507 3.072 767 H LEU 105 H LEU 105 -20.609 -5.781 1.913 768 HA LEU 105 HA LEU 105 -22.947 -4.209 2.774 769 HB2 LEU 105 1HB LEU 105 -22.644 -6.470 0.842 770 HB3 LEU 105 2HB LEU 105 -24.187 -6.200 1.649 771 HG LEU 105 HG LEU 105 -22.757 -4.240 -0.147 772 HD11 LEU 105 1HD1 LEU 105 -24.359 -4.728 -1.787 773 HD12 LEU 105 2HD1 LEU 105 -25.379 -5.613 -0.653 774 HD13 LEU 105 3HD1 LEU 105 -23.843 -6.301 -1.179 775 HD21 LEU 105 3HD2 LEU 105 -23.974 -2.695 0.893 776 HD22 LEU 105 1HD2 LEU 105 -24.862 -3.911 1.812 777 HD23 LEU 105 2HD2 LEU 105 -25.399 -3.463 0.192 778 H ARG 106 H ARG 106 -21.338 -7.352 3.020 779 HA ARG 106 HA ARG 106 -22.329 -7.638 5.731 780 HB2 ARG 106 1HB ARG 106 -22.885 -9.762 3.652 781 HB3 ARG 106 2HB ARG 106 -23.253 -9.869 5.369 782 HG2 ARG 106 1HG ARG 106 -24.842 -8.037 5.157 783 HG3 ARG 106 2HG ARG 106 -24.455 -7.892 3.442 784 HD2 ARG 106 1HD ARG 106 -25.255 -10.181 3.077 785 HD3 ARG 106 2HD ARG 106 -25.652 -10.310 4.790 786 HE ARG 106 HE ARG 106 -27.563 -9.119 4.396 787 HH11 ARG 106 1HH1 ARG 106 -25.392 -8.701 1.706 788 HH12 ARG 106 2HH1 ARG 106 -26.550 -7.854 0.735 789 HH21 ARG 106 1HH2 ARG 106 -29.096 -8.005 3.126 790 HH22 ARG 106 2HH2 ARG 106 -28.656 -7.458 1.544 791 H VAL 107 H VAL 107 -21.309 -9.481 6.858 792 HA VAL 107 HA VAL 107 -18.870 -10.490 5.598 793 HB VAL 107 HB VAL 107 -18.172 -8.451 6.762 794 HG11 VAL 107 1HG1 VAL 107 -18.891 -9.689 9.387 795 HG12 VAL 107 2HG1 VAL 107 -18.566 -7.999 8.996 796 HG13 VAL 107 3HG1 VAL 107 -20.084 -8.744 8.496 797 HG21 VAL 107 3HG2 VAL 107 -16.637 -10.355 6.645 798 HG22 VAL 107 1HG2 VAL 107 -16.402 -9.429 8.128 799 HG23 VAL 107 2HG2 VAL 107 -17.272 -10.962 8.175 800 H GLU 108 H GLU 108 -18.100 -12.420 6.462 801 HA GLU 108 HA GLU 108 -19.362 -13.578 8.792 802 HB2 GLU 108 1HB GLU 108 -19.852 -14.629 6.013 803 HB3 GLU 108 2HB GLU 108 -19.979 -15.663 7.429 804 HG2 GLU 108 1HG GLU 108 -21.595 -13.858 8.317 805 HG3 GLU 108 2HG GLU 108 -21.680 -13.339 6.635 Start of MODEL 5 1 H1 MET 1 H MET 1 2.236 -1.012 1.578 2 HA MET 1 HA MET 1 1.101 0.749 -0.246 3 HB2 MET 1 1HB MET 1 3.280 0.671 -1.416 4 HB3 MET 1 2HB MET 1 3.452 0.859 0.324 5 HG2 MET 1 1HG MET 1 4.081 -1.423 0.585 6 HG3 MET 1 2HG MET 1 3.683 -1.779 -1.094 7 HE1 MET 1 3HE MET 1 6.275 1.396 0.224 8 HE2 MET 1 1HE MET 1 5.626 0.183 1.327 9 HE3 MET 1 2HE MET 1 7.297 0.067 0.774 10 H GLY 2 H GLY 2 1.077 0.615 -2.619 11 HA2 GLY 2 1HA GLY 2 0.943 -0.631 -4.636 12 HA3 GLY 2 2HA GLY 2 0.766 -2.099 -3.685 13 H VAL 3 H VAL 3 -1.247 -0.454 -2.011 14 HA VAL 3 HA VAL 3 -3.478 -0.307 -3.885 15 HB VAL 3 HB VAL 3 -3.584 -2.615 -3.187 16 HG11 VAL 3 1HG1 VAL 3 -2.865 -3.283 -1.197 17 HG12 VAL 3 2HG1 VAL 3 -2.616 -1.600 -0.728 18 HG13 VAL 3 3HG1 VAL 3 -4.163 -2.386 -0.410 19 HG21 VAL 3 3HG2 VAL 3 -5.654 -0.956 -3.158 20 HG22 VAL 3 1HG2 VAL 3 -5.814 -2.655 -2.715 21 HG23 VAL 3 2HG2 VAL 3 -5.686 -1.425 -1.458 22 H GLN 4 H GLN 4 -4.693 1.410 -3.447 23 HA GLN 4 HA GLN 4 -4.573 2.547 -0.732 24 HB2 GLN 4 1HB GLN 4 -3.962 3.733 -3.217 25 HB3 GLN 4 2HB GLN 4 -5.484 4.443 -2.695 26 HG2 GLN 4 1HG GLN 4 -3.470 5.702 -1.982 27 HG3 GLN 4 2HG GLN 4 -4.520 5.204 -0.657 28 HE21 GLN 4 2HE2 GLN 4 -2.015 3.507 -2.504 29 HE22 GLN 4 1HE2 GLN 4 -1.062 3.064 -1.133 30 H VAL 5 H VAL 5 -6.464 3.336 0.203 31 HA VAL 5 HA VAL 5 -8.962 2.562 -1.160 32 HB VAL 5 HB VAL 5 -8.476 2.455 1.819 33 HG11 VAL 5 1HG1 VAL 5 -10.763 2.773 1.516 34 HG12 VAL 5 2HG1 VAL 5 -10.805 1.784 0.055 35 HG13 VAL 5 3HG1 VAL 5 -10.605 1.021 1.633 36 HG21 VAL 5 3HG2 VAL 5 -8.025 0.475 -0.320 37 HG22 VAL 5 1HG2 VAL 5 -7.279 0.620 1.272 38 HG23 VAL 5 2HG2 VAL 5 -8.875 -0.113 1.109 39 H VAL 6 H VAL 6 -9.800 4.451 -1.824 40 HA VAL 6 HA VAL 6 -9.636 6.818 -0.142 41 HB VAL 6 HB VAL 6 -10.997 6.543 -2.822 42 HG11 VAL 6 1HG1 VAL 6 -9.909 8.986 -1.430 43 HG12 VAL 6 2HG1 VAL 6 -10.825 8.936 -2.938 44 HG13 VAL 6 3HG1 VAL 6 -11.605 8.502 -1.416 45 HG21 VAL 6 3HG2 VAL 6 -8.144 6.784 -2.100 46 HG22 VAL 6 1HG2 VAL 6 -8.899 6.095 -3.537 47 HG23 VAL 6 2HG2 VAL 6 -8.713 7.842 -3.390 48 H THR 7 H THR 7 -11.009 6.583 1.563 49 HA THR 7 HA THR 7 -13.472 5.356 1.650 50 HB THR 7 HB THR 7 -13.030 7.899 3.183 51 HG1 THR 7 HG1 THR 7 -11.078 6.940 3.483 52 HG21 THR 7 3HG2 THR 7 -14.768 7.122 4.336 53 HG22 THR 7 1HG2 THR 7 -13.835 5.690 4.769 54 HG23 THR 7 2HG2 THR 7 -14.826 5.689 3.310 55 H LEU 8 H LEU 8 -15.348 5.723 0.679 56 HA LEU 8 HA LEU 8 -15.847 8.387 -0.461 57 HB2 LEU 8 1HB LEU 8 -16.994 5.694 -1.176 58 HB3 LEU 8 2HB LEU 8 -17.496 7.219 -1.903 59 HG LEU 8 HG LEU 8 -14.617 6.495 -2.049 60 HD11 LEU 8 1HD1 LEU 8 -14.826 4.916 -3.710 61 HD12 LEU 8 2HD1 LEU 8 -16.481 5.384 -4.098 62 HD13 LEU 8 3HD1 LEU 8 -16.146 4.467 -2.629 63 HD21 LEU 8 3HD2 LEU 8 -16.158 8.527 -3.033 64 HD22 LEU 8 1HD2 LEU 8 -16.062 7.429 -4.410 65 HD23 LEU 8 2HD2 LEU 8 -14.585 8.041 -3.666 66 H ALA 9 H ALA 9 -17.438 5.730 1.275 67 HA ALA 9 HA ALA 9 -19.149 7.684 2.607 68 HB1 ALA 9 1HB ALA 9 -21.188 6.513 2.137 69 HB2 ALA 9 2HB ALA 9 -20.391 6.883 0.607 70 HB3 ALA 9 3HB ALA 9 -20.317 5.249 1.268 71 H ALA 10 H ALA 10 -18.623 7.336 4.669 72 HA ALA 10 HA ALA 10 -17.548 5.050 5.788 73 HB1 ALA 10 1HB ALA 10 -18.701 7.529 6.769 74 HB2 ALA 10 2HB ALA 10 -18.964 6.177 7.872 75 HB3 ALA 10 3HB ALA 10 -17.327 6.602 7.373 76 H GLY 11 H GLY 11 -18.470 3.497 7.289 77 HA2 GLY 11 1HA GLY 11 -21.324 2.940 6.786 78 HA3 GLY 11 2HA GLY 11 -20.117 1.672 6.637 79 H ASP 12 H ASP 12 -20.164 0.339 8.306 80 HA ASP 12 HA ASP 12 -21.247 1.169 10.849 81 HB2 ASP 12 1HB ASP 12 -20.212 -1.443 9.765 82 HB3 ASP 12 2HB ASP 12 -20.616 -1.251 11.468 83 H GLU 13 H GLU 13 -18.121 0.754 9.426 84 HA GLU 13 HA GLU 13 -15.995 0.752 10.307 85 HB2 GLU 13 1HB GLU 13 -15.513 2.788 11.556 86 HB3 GLU 13 2HB GLU 13 -16.618 3.129 10.231 87 HG2 GLU 13 1HG GLU 13 -18.435 3.422 11.661 88 HG3 GLU 13 2HG GLU 13 -17.630 2.605 12.999 89 H ALA 14 H ALA 14 -17.506 -1.211 11.565 90 HA ALA 14 HA ALA 14 -16.164 -1.312 14.148 91 HB1 ALA 14 1HB ALA 14 -18.786 -2.336 14.576 92 HB2 ALA 14 2HB ALA 14 -17.969 -1.007 15.398 93 HB3 ALA 14 3HB ALA 14 -18.915 -0.695 13.943 94 H THR 15 H THR 15 -18.219 -2.952 11.779 95 HA THR 15 HA THR 15 -17.189 -5.546 12.665 96 HB THR 15 HB THR 15 -19.209 -5.232 10.472 97 HG1 THR 15 HG1 THR 15 -20.018 -5.420 13.170 98 HG21 THR 15 3HG2 THR 15 -18.947 -7.289 12.665 99 HG22 THR 15 1HG2 THR 15 -18.217 -7.451 11.068 100 HG23 THR 15 2HG2 THR 15 -19.972 -7.377 11.232 101 H TYR 16 H TYR 16 -15.317 -6.108 11.759 102 HA TYR 16 HA TYR 16 -14.917 -5.528 8.898 103 HB2 TYR 16 1HB TYR 16 -12.898 -5.862 11.123 104 HB3 TYR 16 2HB TYR 16 -12.467 -5.768 9.419 105 HD1 TYR 16 HD1 TYR 16 -14.220 -3.877 12.107 106 HD2 TYR 16 HD2 TYR 16 -12.105 -3.692 8.419 107 HE1 TYR 16 HE1 TYR 16 -14.180 -1.422 12.259 108 HE2 TYR 16 HE2 TYR 16 -12.058 -1.237 8.562 109 HH TYR 16 HH TYR 16 -13.057 0.564 9.618 110 HA PRO 17 HA PRO 17 -14.761 -9.817 7.977 111 HB2 PRO 17 1HB PRO 17 -12.916 -9.866 5.986 112 HB3 PRO 17 2HB PRO 17 -14.545 -9.214 5.770 113 HG2 PRO 17 1HG PRO 17 -11.976 -7.765 6.282 114 HG3 PRO 17 2HG PRO 17 -13.281 -7.363 5.151 115 HD2 PRO 17 1HD PRO 17 -13.004 -6.139 7.550 116 HD3 PRO 17 2HD PRO 17 -14.587 -6.418 6.798 117 H LYS 18 H LYS 18 -13.594 -11.698 8.342 118 HA LYS 18 HA LYS 18 -11.109 -11.333 9.853 119 HB2 LYS 18 1HB LYS 18 -13.308 -12.721 10.541 120 HB3 LYS 18 2HB LYS 18 -12.415 -13.993 9.717 121 HG2 LYS 18 1HG LYS 18 -10.450 -13.160 11.246 122 HG3 LYS 18 2HG LYS 18 -11.777 -12.551 12.238 123 HD2 LYS 18 1HD LYS 18 -12.672 -14.712 12.543 124 HD3 LYS 18 2HD LYS 18 -11.684 -15.389 11.246 125 HE2 LYS 18 1HE LYS 18 -10.594 -16.111 13.164 126 HE3 LYS 18 2HE LYS 18 -9.682 -14.672 12.710 127 HZ1 LYS 18 3HZ LYS 18 -10.788 -15.160 15.148 128 HZ2 LYS 18 1HZ LYS 18 -11.881 -14.078 14.443 129 HZ3 LYS 18 2HZ LYS 18 -10.250 -13.657 14.589 130 H ALA 19 H ALA 19 -9.207 -12.280 9.279 131 HA ALA 19 HA ALA 19 -8.688 -12.838 6.599 132 HB1 ALA 19 1HB ALA 19 -6.803 -14.169 8.330 133 HB2 ALA 19 2HB ALA 19 -6.575 -12.767 7.284 134 HB3 ALA 19 3HB ALA 19 -7.184 -12.553 8.925 135 H GLY 20 H GLY 20 -9.356 -14.497 5.413 136 HA2 GLY 20 1HA GLY 20 -9.272 -16.807 4.848 137 HA3 GLY 20 2HA GLY 20 -9.218 -17.195 6.561 138 H GLN 21 H GLN 21 -11.491 -14.952 6.542 139 HA GLN 21 HA GLN 21 -13.631 -16.928 6.384 140 HB2 GLN 21 1HB GLN 21 -13.129 -14.536 7.935 141 HB3 GLN 21 2HB GLN 21 -14.716 -14.474 7.181 142 HG2 GLN 21 1HG GLN 21 -15.340 -16.557 8.205 143 HG3 GLN 21 2HG GLN 21 -13.715 -16.765 8.855 144 HE21 GLN 21 2HE2 GLN 21 -15.830 -13.930 8.741 145 HE22 GLN 21 1HE2 GLN 21 -15.876 -13.678 10.450 146 H VAL 22 H VAL 22 -15.766 -16.139 5.497 147 HA VAL 22 HA VAL 22 -15.315 -15.151 2.812 148 HB VAL 22 HB VAL 22 -17.928 -15.973 4.082 149 HG11 VAL 22 1HG1 VAL 22 -18.494 -16.435 1.651 150 HG12 VAL 22 2HG1 VAL 22 -18.377 -14.739 2.124 151 HG13 VAL 22 3HG1 VAL 22 -17.052 -15.505 1.245 152 HG21 VAL 22 3HG2 VAL 22 -15.947 -17.626 2.519 153 HG22 VAL 22 1HG2 VAL 22 -16.356 -17.811 4.224 154 HG23 VAL 22 2HG2 VAL 22 -17.565 -18.151 2.986 155 H ALA 23 H ALA 23 -16.016 -13.245 1.970 156 HA ALA 23 HA ALA 23 -17.531 -11.430 3.711 157 HB1 ALA 23 1HB ALA 23 -15.151 -10.495 2.127 158 HB2 ALA 23 2HB ALA 23 -16.061 -9.613 3.354 159 HB3 ALA 23 3HB ALA 23 -15.047 -10.979 3.820 160 H VAL 24 H VAL 24 -19.090 -10.306 2.695 161 HA VAL 24 HA VAL 24 -19.255 -10.577 -0.231 162 HB VAL 24 HB VAL 24 -21.519 -9.931 1.657 163 HG11 VAL 24 1HG1 VAL 24 -22.632 -11.062 -0.528 164 HG12 VAL 24 2HG1 VAL 24 -22.413 -9.323 -0.322 165 HG13 VAL 24 3HG1 VAL 24 -21.243 -10.256 -1.256 166 HG21 VAL 24 3HG2 VAL 24 -21.975 -12.472 0.733 167 HG22 VAL 24 1HG2 VAL 24 -20.236 -12.476 1.028 168 HG23 VAL 24 2HG2 VAL 24 -21.351 -12.060 2.330 169 H VAL 25 H VAL 25 -18.827 -8.818 -1.373 170 HA VAL 25 HA VAL 25 -19.735 -6.212 -0.414 171 HB VAL 25 HB VAL 25 -17.681 -5.114 -0.598 172 HG11 VAL 25 1HG1 VAL 25 -16.304 -6.137 1.004 173 HG12 VAL 25 2HG1 VAL 25 -17.926 -6.736 1.357 174 HG13 VAL 25 3HG1 VAL 25 -16.774 -7.759 0.498 175 HG21 VAL 25 3HG2 VAL 25 -16.935 -7.426 -2.296 176 HG22 VAL 25 1HG2 VAL 25 -16.629 -5.704 -2.524 177 HG23 VAL 25 2HG2 VAL 25 -15.642 -6.634 -1.396 178 H HIS 26 H HIS 26 -19.492 -4.519 -2.137 179 HA HIS 26 HA HIS 26 -20.050 -5.728 -4.758 180 HB2 HIS 26 1HB HIS 26 -21.192 -3.465 -3.271 181 HB3 HIS 26 2HB HIS 26 -20.877 -3.124 -4.970 182 HD1 HIS 26 HD1 HIS 26 -21.871 -5.219 -6.587 183 HD2 HIS 26 HD2 HIS 26 -23.655 -4.489 -2.907 184 HE1 HIS 26 HE1 HIS 26 -24.153 -6.265 -6.728 185 H TYR 27 H TYR 27 -18.593 -5.496 -6.311 186 HA TYR 27 HA TYR 27 -16.552 -3.400 -6.021 187 HB2 TYR 27 1HB TYR 27 -15.092 -4.768 -7.346 188 HB3 TYR 27 2HB TYR 27 -15.801 -5.794 -6.103 189 HD1 TYR 27 HD2 TYR 27 -15.855 -4.961 -9.695 190 HD2 TYR 27 HD1 TYR 27 -17.213 -7.635 -6.676 191 HE1 TYR 27 HE2 TYR 27 -16.624 -6.522 -11.432 192 HE2 TYR 27 HE1 TYR 27 -17.985 -9.204 -8.405 193 HH TYR 27 HH TYR 27 -17.029 -9.308 -11.353 194 H THR 28 H THR 28 -16.199 -1.921 -7.600 195 HA THR 28 HA THR 28 -17.790 -2.133 -10.066 196 HB THR 28 HB THR 28 -17.511 0.334 -8.341 197 HG1 THR 28 HG1 THR 28 -19.247 -0.620 -7.536 198 HG21 THR 28 3HG2 THR 28 -17.932 0.073 -11.172 199 HG22 THR 28 1HG2 THR 28 -17.792 1.535 -10.198 200 HG23 THR 28 2HG2 THR 28 -19.364 0.763 -10.409 201 H GLY 29 H GLY 29 -16.646 -1.809 -11.867 202 HA2 GLY 29 1HA GLY 29 -13.855 -1.363 -11.786 203 HA3 GLY 29 2HA GLY 29 -14.852 -1.373 -13.233 204 H THR 30 H THR 30 -12.601 0.384 -12.318 205 HA THR 30 HA THR 30 -13.648 2.835 -13.307 206 HB THR 30 HB THR 30 -12.599 3.642 -10.769 207 HG1 THR 30 HG1 THR 30 -13.695 2.456 -9.386 208 HG21 THR 30 3HG2 THR 30 -14.569 4.953 -10.669 209 HG22 THR 30 1HG2 THR 30 -15.447 3.849 -11.728 210 HG23 THR 30 2HG2 THR 30 -14.147 4.849 -12.378 211 H LEU 31 H LEU 31 -12.039 4.216 -13.970 212 HA LEU 31 HA LEU 31 -9.313 3.179 -13.716 213 HB2 LEU 31 1HB LEU 31 -10.682 4.991 -15.666 214 HB3 LEU 31 2HB LEU 31 -8.924 4.973 -15.544 215 HG LEU 31 HG LEU 31 -10.670 2.617 -16.258 216 HD11 LEU 31 1HD1 LEU 31 -9.925 2.874 -18.478 217 HD12 LEU 31 2HD1 LEU 31 -8.723 4.080 -18.019 218 HD13 LEU 31 3HD1 LEU 31 -10.440 4.478 -17.956 219 HD21 LEU 31 3HD2 LEU 31 -7.765 2.921 -15.687 220 HD22 LEU 31 1HD2 LEU 31 -8.267 1.803 -16.956 221 HD23 LEU 31 2HD2 LEU 31 -8.859 1.590 -15.308 222 H ALA 32 H ALA 32 -7.537 4.723 -13.454 223 HA ALA 32 HA ALA 32 -7.833 6.323 -11.183 224 HB1 ALA 32 1HB ALA 32 -5.665 5.640 -11.508 225 HB2 ALA 32 2HB ALA 32 -5.694 5.998 -13.235 226 HB3 ALA 32 3HB ALA 32 -5.575 7.311 -12.064 227 H ASP 33 H ASP 33 -8.456 7.008 -14.495 228 HA ASP 33 HA ASP 33 -8.308 9.883 -14.184 229 HB2 ASP 33 1HB ASP 33 -9.354 8.224 -16.488 230 HB3 ASP 33 2HB ASP 33 -9.061 9.961 -16.517 231 H GLY 34 H GLY 34 -10.583 7.443 -13.591 232 HA2 GLY 34 1HA GLY 34 -12.564 8.083 -12.330 233 HA3 GLY 34 2HA GLY 34 -12.710 9.480 -13.386 234 H LYS 35 H LYS 35 -11.910 7.477 -15.624 235 HA LYS 35 HA LYS 35 -14.400 7.138 -16.761 236 HB2 LYS 35 1HB LYS 35 -11.951 6.765 -17.683 237 HB3 LYS 35 2HB LYS 35 -12.294 5.086 -17.290 238 HG2 LYS 35 1HG LYS 35 -12.973 5.159 -19.468 239 HG3 LYS 35 2HG LYS 35 -14.489 5.537 -18.646 240 HD2 LYS 35 1HD LYS 35 -13.713 8.003 -18.902 241 HD3 LYS 35 2HD LYS 35 -12.639 7.354 -20.144 242 HE2 LYS 35 1HE LYS 35 -15.587 6.776 -20.129 243 HE3 LYS 35 2HE LYS 35 -14.926 8.224 -20.888 244 HZ1 LYS 35 3HZ LYS 35 -14.484 7.015 -22.671 245 HZ2 LYS 35 1HZ LYS 35 -15.050 5.612 -21.915 246 HZ3 LYS 35 2HZ LYS 35 -13.423 6.052 -21.772 247 H VAL 36 H VAL 36 -16.095 6.018 -16.084 248 HA VAL 36 HA VAL 36 -15.923 3.971 -14.115 249 HB VAL 36 HB VAL 36 -17.896 5.507 -14.472 250 HG11 VAL 36 1HG1 VAL 36 -18.520 3.571 -16.700 251 HG12 VAL 36 2HG1 VAL 36 -19.562 4.872 -16.121 252 HG13 VAL 36 3HG1 VAL 36 -18.032 5.252 -16.913 253 HG21 VAL 36 3HG2 VAL 36 -19.235 2.955 -14.520 254 HG22 VAL 36 1HG2 VAL 36 -17.764 2.875 -13.551 255 HG23 VAL 36 2HG2 VAL 36 -19.001 4.074 -13.177 256 H PHE 37 H PHE 37 -16.158 1.771 -14.291 257 HA PHE 37 HA PHE 37 -16.178 0.658 -17.017 258 HB2 PHE 37 1HB PHE 37 -14.254 0.226 -14.802 259 HB3 PHE 37 2HB PHE 37 -14.733 -1.203 -15.711 260 HD1 PHE 37 HD1 PHE 37 -13.771 2.330 -16.453 261 HD2 PHE 37 HD2 PHE 37 -13.335 -1.792 -17.421 262 HE1 PHE 37 HE1 PHE 37 -12.157 2.918 -18.214 263 HE2 PHE 37 HE2 PHE 37 -11.720 -1.211 -19.183 264 HZ PHE 37 HZ PHE 37 -11.128 1.146 -19.581 265 H ASP 38 H ASP 38 -16.337 -1.951 -16.615 266 HA ASP 38 HA ASP 38 -18.991 -2.423 -15.921 267 HB2 ASP 38 1HB ASP 38 -17.223 -3.868 -17.249 268 HB3 ASP 38 2HB ASP 38 -16.991 -4.632 -15.679 269 H SER 39 H SER 39 -20.031 -2.863 -14.073 270 HA SER 39 HA SER 39 -18.411 -3.323 -11.655 271 HB2 SER 39 1HB SER 39 -19.752 -1.866 -10.392 272 HB3 SER 39 2HB SER 39 -19.544 -1.011 -11.920 273 HG SER 39 HG SER 39 -21.812 -2.076 -10.789 274 H SER 40 H SER 40 -19.545 -4.452 -9.913 275 HA SER 40 HA SER 40 -21.001 -6.703 -10.946 276 HB2 SER 40 1HB SER 40 -19.292 -6.382 -8.847 277 HB3 SER 40 2HB SER 40 -20.848 -6.378 -8.017 278 HG SER 40 HG SER 40 -20.241 -8.488 -8.165 279 H ARG 41 H ARG 41 -21.748 -3.806 -9.133 280 HA ARG 41 HA ARG 41 -24.272 -4.495 -8.154 281 HB2 ARG 41 1HB ARG 41 -23.291 -1.783 -9.063 282 HB3 ARG 41 2HB ARG 41 -24.697 -2.073 -8.047 283 HG2 ARG 41 1HG ARG 41 -23.338 -2.874 -6.262 284 HG3 ARG 41 2HG ARG 41 -21.901 -2.877 -7.287 285 HD2 ARG 41 1HD ARG 41 -23.463 -0.479 -6.342 286 HD3 ARG 41 2HD ARG 41 -21.836 -0.948 -5.852 287 HE ARG 41 HE ARG 41 -21.623 -0.650 -8.536 288 HH11 ARG 41 1HH1 ARG 41 -22.829 1.381 -5.979 289 HH12 ARG 41 2HH1 ARG 41 -22.406 2.860 -6.777 290 HH21 ARG 41 1HH2 ARG 41 -21.061 1.290 -9.597 291 HH22 ARG 41 2HH2 ARG 41 -21.402 2.807 -8.835 292 H THR 42 H THR 42 -23.219 -3.781 -11.354 293 HA THR 42 HA THR 42 -25.557 -2.837 -12.539 294 HB THR 42 HB THR 42 -23.820 -4.763 -14.032 295 HG1 THR 42 HG1 THR 42 -22.215 -3.185 -14.193 296 HG21 THR 42 3HG2 THR 42 -25.774 -3.464 -15.025 297 HG22 THR 42 1HG2 THR 42 -24.232 -3.339 -15.870 298 HG23 THR 42 2HG2 THR 42 -24.777 -2.023 -14.830 299 H ARG 43 H ARG 43 -24.734 -6.007 -11.417 300 HA ARG 43 HA ARG 43 -27.102 -7.142 -12.736 301 HB2 ARG 43 1HB ARG 43 -24.772 -8.525 -11.393 302 HB3 ARG 43 2HB ARG 43 -26.136 -9.341 -12.146 303 HG2 ARG 43 1HG ARG 43 -25.511 -8.322 -14.305 304 HG3 ARG 43 2HG ARG 43 -24.098 -7.607 -13.525 305 HD2 ARG 43 1HD ARG 43 -24.577 -10.552 -13.344 306 HD3 ARG 43 2HD ARG 43 -23.876 -9.864 -14.808 307 HE ARG 43 HE ARG 43 -22.434 -8.872 -12.646 308 HH11 ARG 43 1HH1 ARG 43 -23.067 -11.933 -14.180 309 HH12 ARG 43 2HH1 ARG 43 -21.544 -12.623 -13.725 310 HH21 ARG 43 1HH2 ARG 43 -20.426 -9.770 -12.041 311 HH22 ARG 43 2HH2 ARG 43 -20.043 -11.393 -12.508 312 H GLY 44 H GLY 44 -26.631 -5.513 -10.082 313 HA2 GLY 44 1HA GLY 44 -27.546 -5.458 -7.975 314 HA3 GLY 44 2HA GLY 44 -28.861 -6.372 -8.698 315 H LYS 45 H LYS 45 -25.486 -7.328 -8.179 316 HA LYS 45 HA LYS 45 -26.260 -9.142 -6.048 317 HB2 LYS 45 1HB LYS 45 -25.637 -10.014 -8.805 318 HB3 LYS 45 2HB LYS 45 -24.838 -10.912 -7.521 319 HG2 LYS 45 1HG LYS 45 -27.774 -10.432 -7.353 320 HG3 LYS 45 2HG LYS 45 -27.155 -11.680 -8.438 321 HD2 LYS 45 1HD LYS 45 -26.014 -12.756 -6.577 322 HD3 LYS 45 2HD LYS 45 -26.562 -11.483 -5.484 323 HE2 LYS 45 1HE LYS 45 -28.544 -13.071 -7.066 324 HE3 LYS 45 2HE LYS 45 -27.851 -13.739 -5.589 325 HZ1 LYS 45 3HZ LYS 45 -29.718 -12.682 -4.811 326 HZ2 LYS 45 1HZ LYS 45 -29.613 -11.409 -5.921 327 HZ3 LYS 45 2HZ LYS 45 -28.559 -11.467 -4.601 328 HA PRO 46 HA PRO 46 -22.216 -7.604 -4.915 329 HB2 PRO 46 1HB PRO 46 -22.232 -8.670 -2.419 330 HB3 PRO 46 2HB PRO 46 -23.111 -7.196 -2.839 331 HG2 PRO 46 1HG PRO 46 -24.128 -9.999 -2.582 332 HG3 PRO 46 2HG PRO 46 -24.858 -8.487 -2.011 333 HD2 PRO 46 1HD PRO 46 -25.663 -9.728 -4.280 334 HD3 PRO 46 2HD PRO 46 -25.703 -7.963 -4.091 335 H PHE 47 H PHE 47 -20.175 -8.482 -4.773 336 HA PHE 47 HA PHE 47 -19.968 -11.306 -5.445 337 HB2 PHE 47 1HB PHE 47 -18.694 -9.270 -6.539 338 HB3 PHE 47 2HB PHE 47 -17.585 -9.516 -5.194 339 HD1 PHE 47 HD1 PHE 47 -19.260 -11.364 -7.955 340 HD2 PHE 47 HD2 PHE 47 -15.879 -11.060 -5.387 341 HE1 PHE 47 HE1 PHE 47 -18.151 -13.169 -9.207 342 HE2 PHE 47 HE2 PHE 47 -14.764 -12.863 -6.636 343 HZ PHE 47 HZ PHE 47 -15.900 -13.920 -8.549 344 H ARG 48 H ARG 48 -19.544 -12.814 -3.985 345 HA ARG 48 HA ARG 48 -18.353 -11.991 -1.421 346 HB2 ARG 48 1HB ARG 48 -19.419 -14.021 -0.478 347 HB3 ARG 48 2HB ARG 48 -20.584 -12.881 -1.140 348 HG2 ARG 48 1HG ARG 48 -21.255 -14.295 -2.762 349 HG3 ARG 48 2HG ARG 48 -19.644 -14.983 -2.979 350 HD2 ARG 48 1HD ARG 48 -20.629 -16.776 -2.004 351 HD3 ARG 48 2HD ARG 48 -20.167 -15.916 -0.536 352 HE ARG 48 HE ARG 48 -22.382 -15.569 -0.088 353 HH11 ARG 48 1HH1 ARG 48 -22.030 -16.492 -3.426 354 HH12 ARG 48 2HH1 ARG 48 -23.734 -16.634 -3.702 355 HH21 ARG 48 1HH2 ARG 48 -24.629 -15.753 -0.439 356 HH22 ARG 48 2HH2 ARG 48 -25.212 -16.212 -2.003 357 H PHE 49 H PHE 49 -16.591 -13.052 -0.619 358 HA PHE 49 HA PHE 49 -15.619 -15.505 -1.710 359 HB2 PHE 49 1HB PHE 49 -13.562 -14.672 -2.707 360 HB3 PHE 49 2HB PHE 49 -14.949 -13.940 -3.508 361 HD1 PHE 49 HD2 PHE 49 -12.209 -13.346 -1.121 362 HD2 PHE 49 HD1 PHE 49 -15.313 -11.599 -3.452 363 HE1 PHE 49 HE2 PHE 49 -11.280 -11.112 -0.677 364 HE2 PHE 49 HE1 PHE 49 -14.388 -9.362 -3.012 365 HZ PHE 49 HZ PHE 49 -12.370 -9.116 -1.622 366 H THR 50 H THR 50 -13.490 -16.110 -0.746 367 HA THR 50 HA THR 50 -13.489 -15.407 2.049 368 HB THR 50 HB THR 50 -11.673 -17.265 0.500 369 HG1 THR 50 HG1 THR 50 -13.027 -18.862 1.246 370 HG21 THR 50 3HG2 THR 50 -11.363 -18.186 2.913 371 HG22 THR 50 1HG2 THR 50 -11.870 -16.572 3.408 372 HG23 THR 50 2HG2 THR 50 -10.435 -16.776 2.403 373 H VAL 51 H VAL 51 -12.552 -13.580 2.691 374 HA VAL 51 HA VAL 51 -10.602 -12.156 1.250 375 HB VAL 51 HB VAL 51 -11.087 -11.950 4.221 376 HG11 VAL 51 1HG1 VAL 51 -9.189 -10.682 3.615 377 HG12 VAL 51 2HG1 VAL 51 -9.966 -10.079 2.150 378 HG13 VAL 51 3HG1 VAL 51 -10.521 -9.532 3.733 379 HG21 VAL 51 3HG2 VAL 51 -12.678 -10.075 3.441 380 HG22 VAL 51 1HG2 VAL 51 -12.684 -10.931 1.899 381 HG23 VAL 51 2HG2 VAL 51 -13.242 -11.745 3.361 382 H GLY 52 H GLY 52 -8.679 -13.053 0.788 383 HA2 GLY 52 1HA GLY 52 -6.417 -13.197 1.809 384 HA3 GLY 52 2HA GLY 52 -7.153 -14.214 3.038 385 H ARG 53 H ARG 53 -8.821 -15.347 0.680 386 HA ARG 53 HA ARG 53 -7.135 -17.615 0.250 387 HB2 ARG 53 1HB ARG 53 -9.905 -16.827 -0.472 388 HB3 ARG 53 2HB ARG 53 -9.138 -18.045 -1.481 389 HG2 ARG 53 1HG ARG 53 -9.329 -18.245 1.513 390 HG3 ARG 53 2HG ARG 53 -10.512 -18.938 0.402 391 HD2 ARG 53 1HD ARG 53 -8.951 -20.449 -0.489 392 HD3 ARG 53 2HD ARG 53 -7.585 -19.564 0.187 393 HE ARG 53 HE ARG 53 -7.844 -20.742 2.125 394 HH11 ARG 53 1HH1 ARG 53 -10.789 -20.956 0.280 395 HH12 ARG 53 2HH1 ARG 53 -11.531 -22.098 1.352 396 HH21 ARG 53 1HH2 ARG 53 -8.810 -22.245 3.543 397 HH22 ARG 53 2HH2 ARG 53 -10.404 -22.829 3.208 398 H GLY 54 H GLY 54 -6.975 -18.511 -2.081 399 HA2 GLY 54 1HA GLY 54 -5.620 -16.457 -3.650 400 HA3 GLY 54 2HA GLY 54 -5.510 -18.193 -3.893 401 H GLU 55 H GLU 55 -8.669 -16.932 -3.491 402 HA GLU 55 HA GLU 55 -9.289 -17.587 -6.250 403 HB2 GLU 55 1HB GLU 55 -11.088 -16.732 -3.975 404 HB3 GLU 55 2HB GLU 55 -11.637 -17.269 -5.557 405 HG2 GLU 55 1HG GLU 55 -10.207 -19.395 -4.961 406 HG3 GLU 55 2HG GLU 55 -10.487 -18.837 -3.313 407 H VAL 56 H VAL 56 -8.822 -14.793 -4.271 408 HA VAL 56 HA VAL 56 -9.799 -13.066 -6.450 409 HB VAL 56 HB VAL 56 -9.827 -11.255 -4.686 410 HG11 VAL 56 1HG1 VAL 56 -12.008 -11.750 -4.044 411 HG12 VAL 56 2HG1 VAL 56 -11.798 -12.695 -5.520 412 HG13 VAL 56 3HG1 VAL 56 -11.689 -13.481 -3.944 413 HG21 VAL 56 3HG2 VAL 56 -8.397 -12.928 -3.168 414 HG22 VAL 56 1HG2 VAL 56 -9.430 -11.669 -2.492 415 HG23 VAL 56 2HG2 VAL 56 -10.012 -13.331 -2.585 416 H ILE 57 H ILE 57 -8.609 -10.768 -6.130 417 HA ILE 57 HA ILE 57 -5.780 -11.375 -6.545 418 HB ILE 57 HB ILE 57 -5.664 -9.042 -7.441 419 HG12 ILE 57 1HG1 ILE 57 -8.631 -8.976 -7.644 420 HG13 ILE 57 2HG1 ILE 57 -7.925 -8.555 -6.087 421 HG21 ILE 57 1HG2 ILE 57 -5.903 -10.893 -8.957 422 HG22 ILE 57 2HG2 ILE 57 -7.646 -10.933 -8.697 423 HG23 ILE 57 3HG2 ILE 57 -6.909 -9.560 -9.522 424 HD11 ILE 57 3HD1 ILE 57 -6.648 -6.786 -7.099 425 HD12 ILE 57 1HD1 ILE 57 -7.212 -7.253 -8.703 426 HD13 ILE 57 2HD1 ILE 57 -8.351 -6.605 -7.522 427 H ARG 58 H ARG 58 -4.149 -9.875 -5.703 428 HA ARG 58 HA ARG 58 -4.197 -9.636 -2.953 429 HB2 ARG 58 1HB ARG 58 -2.611 -7.931 -4.881 430 HB3 ARG 58 2HB ARG 58 -2.246 -8.177 -3.179 431 HG2 ARG 58 1HG ARG 58 -2.374 -10.461 -5.117 432 HG3 ARG 58 2HG ARG 58 -0.905 -9.515 -4.874 433 HD2 ARG 58 1HD ARG 58 -1.201 -10.014 -2.390 434 HD3 ARG 58 2HD ARG 58 -2.381 -11.223 -2.892 435 HE ARG 58 HE ARG 58 -0.159 -11.784 -4.372 436 HH11 ARG 58 1HH1 ARG 58 -0.833 -11.451 -0.973 437 HH12 ARG 58 2HH1 ARG 58 0.386 -12.582 -0.487 438 HH21 ARG 58 1HH2 ARG 58 1.449 -13.275 -3.745 439 HH22 ARG 58 2HH2 ARG 58 1.684 -13.619 -2.065 440 H GLY 59 H GLY 59 -4.970 -7.178 -5.394 441 HA2 GLY 59 1HA GLY 59 -5.304 -4.959 -3.794 442 HA3 GLY 59 2HA GLY 59 -6.249 -5.274 -5.242 443 H TRP 60 H TRP 60 -7.975 -7.107 -4.786 444 HA TRP 60 HA TRP 60 -9.902 -6.006 -3.110 445 HB2 TRP 60 1HB TRP 60 -9.587 -8.686 -4.416 446 HB3 TRP 60 2HB TRP 60 -10.911 -8.417 -3.285 447 HD1 TRP 60 HD1 TRP 60 -10.326 -5.259 -5.047 448 HE1 TRP 60 HE1 TRP 60 -12.010 -4.948 -6.969 449 HE3 TRP 60 HE3 TRP 60 -12.163 -10.023 -5.295 450 HZ2 TRP 60 HZ2 TRP 60 -13.871 -6.515 -8.399 451 HZ3 TRP 60 HZ3 TRP 60 -13.894 -10.534 -6.967 452 HH2 TRP 60 HH2 TRP 60 -14.729 -8.815 -8.486 453 H ASP 61 H ASP 61 -7.663 -8.688 -2.520 454 HA ASP 61 HA ASP 61 -8.572 -9.611 -0.098 455 HB2 ASP 61 1HB ASP 61 -6.777 -10.795 -1.028 456 HB3 ASP 61 2HB ASP 61 -5.801 -9.342 -1.229 457 H GLU 62 H GLU 62 -5.974 -7.184 -0.433 458 HA GLU 62 HA GLU 62 -6.017 -6.430 2.283 459 HB2 GLU 62 1HB GLU 62 -5.034 -4.863 -0.109 460 HB3 GLU 62 2HB GLU 62 -4.654 -4.509 1.570 461 HG2 GLU 62 1HG GLU 62 -3.705 -6.895 1.642 462 HG3 GLU 62 2HG GLU 62 -3.744 -6.804 -0.118 463 H GLY 63 H GLY 63 -7.493 -4.971 -0.599 464 HA2 GLY 63 1HA GLY 63 -8.543 -2.667 0.499 465 HA3 GLY 63 2HA GLY 63 -9.302 -3.569 -0.805 466 H VAL 64 H VAL 64 -10.424 -5.668 0.065 467 HA VAL 64 HA VAL 64 -12.577 -4.842 1.666 468 HB VAL 64 HB VAL 64 -12.627 -6.726 0.010 469 HG11 VAL 64 1HG1 VAL 64 -11.706 -8.604 2.109 470 HG12 VAL 64 2HG1 VAL 64 -11.604 -8.727 0.352 471 HG13 VAL 64 3HG1 VAL 64 -10.472 -7.700 1.233 472 HG21 VAL 64 3HG2 VAL 64 -13.597 -7.705 2.670 473 HG22 VAL 64 1HG2 VAL 64 -14.303 -6.274 1.919 474 HG23 VAL 64 2HG2 VAL 64 -14.368 -7.828 1.089 475 H ALA 65 H ALA 65 -9.575 -6.473 2.445 476 HA ALA 65 HA ALA 65 -10.192 -7.431 4.993 477 HB1 ALA 65 1HB ALA 65 -8.182 -8.231 4.266 478 HB2 ALA 65 2HB ALA 65 -7.680 -6.679 3.593 479 HB3 ALA 65 3HB ALA 65 -7.622 -6.945 5.335 480 H GLN 66 H GLN 66 -9.134 -4.234 3.936 481 HA GLN 66 HA GLN 66 -9.251 -3.262 6.695 482 HB2 GLN 66 1HB GLN 66 -8.304 -1.863 4.188 483 HB3 GLN 66 2HB GLN 66 -8.196 -1.227 5.824 484 HG2 GLN 66 1HG GLN 66 -6.526 -2.709 6.430 485 HG3 GLN 66 2HG GLN 66 -6.918 -3.836 5.133 486 HE21 GLN 66 2HE2 GLN 66 -6.725 -2.726 2.885 487 HE22 GLN 66 1HE2 GLN 66 -5.250 -1.863 2.630 488 H MET 67 H MET 67 -11.611 -3.966 4.989 489 HA MET 67 HA MET 67 -12.914 -1.330 4.886 490 HB2 MET 67 1HB MET 67 -13.418 -3.901 3.413 491 HB3 MET 67 2HB MET 67 -14.670 -2.672 3.538 492 HG2 MET 67 1HG MET 67 -12.003 -1.786 2.619 493 HG3 MET 67 2HG MET 67 -12.945 -2.788 1.518 494 HE1 MET 67 3HE MET 67 -15.122 -2.047 0.316 495 HE2 MET 67 1HE MET 67 -15.878 -2.080 1.909 496 HE3 MET 67 2HE MET 67 -16.114 -0.690 0.850 497 H SER 68 H SER 68 -15.151 -1.207 5.602 498 HA SER 68 HA SER 68 -15.750 -3.147 7.739 499 HB2 SER 68 1HB SER 68 -16.943 -1.165 8.841 500 HB3 SER 68 2HB SER 68 -15.180 -1.138 8.854 501 HG SER 68 HG SER 68 -16.739 0.732 7.962 502 H VAL 69 H VAL 69 -17.900 -3.737 8.058 503 HA VAL 69 HA VAL 69 -19.499 -4.073 5.831 504 HB VAL 69 HB VAL 69 -20.388 -3.958 8.717 505 HG11 VAL 69 1HG1 VAL 69 -21.751 -4.980 6.237 506 HG12 VAL 69 2HG1 VAL 69 -22.230 -5.463 7.865 507 HG13 VAL 69 3HG1 VAL 69 -22.333 -3.770 7.380 508 HG21 VAL 69 3HG2 VAL 69 -19.761 -6.398 7.071 509 HG22 VAL 69 1HG2 VAL 69 -18.564 -5.597 8.090 510 HG23 VAL 69 2HG2 VAL 69 -20.015 -6.292 8.813 511 H GLY 70 H GLY 70 -20.774 -2.776 4.682 512 HA2 GLY 70 1HA GLY 70 -22.341 -1.110 4.255 513 HA3 GLY 70 2HA GLY 70 -22.236 -0.617 5.939 514 H GLN 71 H GLN 71 -19.197 -0.932 4.494 515 HA GLN 71 HA GLN 71 -19.024 1.990 4.211 516 HB2 GLN 71 1HB GLN 71 -17.557 0.631 5.877 517 HB3 GLN 71 2HB GLN 71 -16.642 0.181 4.444 518 HG2 GLN 71 1HG GLN 71 -16.853 2.897 4.181 519 HG3 GLN 71 2HG GLN 71 -16.698 2.688 5.924 520 HE21 GLN 71 2HE2 GLN 71 -15.145 2.416 2.857 521 HE22 GLN 71 1HE2 GLN 71 -13.561 2.063 3.449 522 H ARG 72 H ARG 72 -18.289 2.915 2.358 523 HA ARG 72 HA ARG 72 -17.546 1.105 0.155 524 HB2 ARG 72 1HB ARG 72 -19.810 1.864 -0.234 525 HB3 ARG 72 2HB ARG 72 -19.337 3.535 0.041 526 HG2 ARG 72 1HG ARG 72 -18.205 3.679 -1.987 527 HG3 ARG 72 2HG ARG 72 -18.103 1.925 -2.159 528 HD2 ARG 72 1HD ARG 72 -19.758 2.583 -3.685 529 HD3 ARG 72 2HD ARG 72 -20.647 1.957 -2.297 530 HE ARG 72 HE ARG 72 -20.221 4.796 -2.203 531 HH11 ARG 72 1HH1 ARG 72 -22.271 2.250 -3.401 532 HH12 ARG 72 2HH1 ARG 72 -23.669 3.263 -3.540 533 HH21 ARG 72 1HH2 ARG 72 -22.055 6.140 -2.381 534 HH22 ARG 72 2HH2 ARG 72 -23.545 5.476 -2.960 535 H ALA 73 H ALA 73 -15.792 1.659 -1.011 536 HA ALA 73 HA ALA 73 -14.784 4.361 -1.056 537 HB1 ALA 73 1HB ALA 73 -13.936 3.496 1.105 538 HB2 ALA 73 2HB ALA 73 -13.085 2.225 0.226 539 HB3 ALA 73 3HB ALA 73 -12.653 3.916 -0.030 540 H LYS 74 H LYS 74 -12.709 4.476 -2.341 541 HA LYS 74 HA LYS 74 -12.951 2.668 -4.621 542 HB2 LYS 74 1HB LYS 74 -11.905 5.410 -4.190 543 HB3 LYS 74 2HB LYS 74 -11.101 4.448 -5.424 544 HG2 LYS 74 1HG LYS 74 -13.574 4.003 -6.209 545 HG3 LYS 74 2HG LYS 74 -13.872 5.517 -5.352 546 HD2 LYS 74 1HD LYS 74 -11.563 5.413 -7.218 547 HD3 LYS 74 2HD LYS 74 -13.183 5.453 -7.918 548 HE2 LYS 74 1HE LYS 74 -13.675 7.470 -6.590 549 HE3 LYS 74 2HE LYS 74 -12.029 7.440 -5.962 550 HZ1 LYS 74 3HZ LYS 74 -12.287 8.987 -7.818 551 HZ2 LYS 74 1HZ LYS 74 -12.753 7.713 -8.829 552 HZ3 LYS 74 2HZ LYS 74 -11.189 7.755 -8.187 553 H LEU 75 H LEU 75 -11.589 1.042 -4.940 554 HA LEU 75 HA LEU 75 -9.147 0.910 -3.331 555 HB2 LEU 75 1HB LEU 75 -10.846 -0.959 -3.355 556 HB3 LEU 75 2HB LEU 75 -10.353 -1.270 -5.019 557 HG LEU 75 HG LEU 75 -8.038 -1.689 -4.172 558 HD11 LEU 75 1HD1 LEU 75 -9.429 -1.404 -1.520 559 HD12 LEU 75 2HD1 LEU 75 -8.022 -0.519 -2.110 560 HD13 LEU 75 3HD1 LEU 75 -7.886 -2.234 -1.724 561 HD21 LEU 75 3HD2 LEU 75 -10.420 -3.333 -3.727 562 HD22 LEU 75 1HD2 LEU 75 -9.020 -3.808 -2.765 563 HD23 LEU 75 2HD2 LEU 75 -8.896 -3.729 -4.523 564 H VAL 76 H VAL 76 -7.678 2.142 -4.437 565 HA VAL 76 HA VAL 76 -7.198 1.514 -7.263 566 HB VAL 76 HB VAL 76 -7.423 3.862 -6.888 567 HG11 VAL 76 1HG1 VAL 76 -6.085 3.271 -4.422 568 HG12 VAL 76 2HG1 VAL 76 -5.257 4.587 -5.257 569 HG13 VAL 76 3HG1 VAL 76 -6.978 4.718 -4.888 570 HG21 VAL 76 3HG2 VAL 76 -4.469 3.302 -7.104 571 HG22 VAL 76 1HG2 VAL 76 -5.619 3.087 -8.424 572 HG23 VAL 76 2HG2 VAL 76 -5.344 4.692 -7.746 573 H CYS 77 H CYS 77 -5.897 -0.220 -7.415 574 HA CYS 77 HA CYS 77 -3.343 -0.121 -5.952 575 HB2 CYS 77 1HB CYS 77 -3.385 -2.590 -5.839 576 HB3 CYS 77 2HB CYS 77 -4.726 -1.862 -4.963 577 HG CYS 77 HG CYS 77 -5.945 -2.332 -7.871 578 H SER 78 H SER 78 -1.598 -1.372 -7.009 579 HA SER 78 HA SER 78 -1.370 -0.637 -9.738 580 HB2 SER 78 1HB SER 78 0.658 -2.449 -9.340 581 HB3 SER 78 2HB SER 78 0.752 -0.728 -8.968 582 HG SER 78 HG SER 78 0.945 -1.277 -6.961 583 HA PRO 79 HA PRO 79 -2.784 -4.138 -11.969 584 HB2 PRO 79 1HB PRO 79 -0.853 -4.520 -13.839 585 HB3 PRO 79 2HB PRO 79 -1.976 -3.156 -13.883 586 HG2 PRO 79 1HG PRO 79 0.849 -3.252 -12.897 587 HG3 PRO 79 2HG PRO 79 0.049 -2.013 -13.882 588 HD2 PRO 79 1HD PRO 79 0.444 -1.727 -11.218 589 HD3 PRO 79 2HD PRO 79 -0.960 -1.034 -12.055 590 H ASP 80 H ASP 80 0.483 -4.329 -10.706 591 HA ASP 80 HA ASP 80 0.940 -7.070 -11.172 592 HB2 ASP 80 1HB ASP 80 2.047 -5.298 -8.983 593 HB3 ASP 80 2HB ASP 80 2.690 -6.870 -9.449 594 H TYR 81 H TYR 81 -0.975 -5.401 -8.839 595 HA TYR 81 HA TYR 81 -1.299 -7.861 -7.263 596 HB2 TYR 81 1HB TYR 81 -1.591 -4.957 -6.640 597 HB3 TYR 81 2HB TYR 81 -2.598 -6.101 -5.758 598 HD1 TYR 81 HD2 TYR 81 0.842 -6.786 -6.921 599 HD2 TYR 81 HD1 TYR 81 -1.636 -5.809 -3.603 600 HE1 TYR 81 HE2 TYR 81 2.713 -7.250 -5.394 601 HE2 TYR 81 HE1 TYR 81 0.229 -6.269 -2.067 602 HH TYR 81 HH TYR 81 3.324 -6.398 -2.921 603 H ALA 82 H ALA 82 -2.592 -6.798 -9.905 604 HA ALA 82 HA ALA 82 -5.269 -7.749 -9.216 605 HB1 ALA 82 1HB ALA 82 -5.036 -5.336 -10.970 606 HB2 ALA 82 2HB ALA 82 -6.430 -5.935 -10.070 607 HB3 ALA 82 3HB ALA 82 -5.092 -5.166 -9.215 608 H TYR 83 H TYR 83 -6.469 -7.290 -11.682 609 HA TYR 83 HA TYR 83 -5.245 -9.381 -13.241 610 HB2 TYR 83 1HB TYR 83 -7.582 -7.781 -14.212 611 HB3 TYR 83 2HB TYR 83 -7.244 -9.496 -14.414 612 HD1 TYR 83 HD1 TYR 83 -7.598 -11.051 -12.491 613 HD2 TYR 83 HD2 TYR 83 -8.844 -6.985 -12.364 614 HE1 TYR 83 HE1 TYR 83 -9.081 -11.571 -10.599 615 HE2 TYR 83 HE2 TYR 83 -10.329 -7.493 -10.471 616 HH TYR 83 HH TYR 83 -10.945 -10.752 -9.442 617 H GLY 84 H GLY 84 -4.565 -6.209 -12.990 618 HA2 GLY 84 1HA GLY 84 -4.524 -5.093 -15.504 619 HA3 GLY 84 2HA GLY 84 -3.292 -4.799 -14.286 620 H SER 85 H SER 85 -2.490 -7.644 -14.260 621 HA SER 85 HA SER 85 -0.337 -7.561 -15.975 622 HB2 SER 85 1HB SER 85 -0.387 -10.130 -15.745 623 HB3 SER 85 2HB SER 85 -0.246 -9.179 -14.266 624 HG SER 85 HG SER 85 -1.834 -10.629 -13.864 625 H ARG 86 H ARG 86 -3.041 -9.819 -16.498 626 HA ARG 86 HA ARG 86 -2.467 -10.339 -19.172 627 HB2 ARG 86 1HB ARG 86 -3.918 -11.854 -18.131 628 HB3 ARG 86 2HB ARG 86 -4.966 -10.578 -17.527 629 HG2 ARG 86 1HG ARG 86 -5.973 -11.897 -19.352 630 HG3 ARG 86 2HG ARG 86 -5.840 -10.178 -19.727 631 HD2 ARG 86 1HD ARG 86 -5.192 -11.528 -21.643 632 HD3 ARG 86 2HD ARG 86 -3.812 -10.622 -21.024 633 HE ARG 86 HE ARG 86 -3.851 -13.171 -19.841 634 HH11 ARG 86 1HH1 ARG 86 -3.273 -11.641 -22.915 635 HH12 ARG 86 2HH1 ARG 86 -2.176 -12.864 -23.464 636 HH21 ARG 86 1HH2 ARG 86 -2.409 -14.788 -20.554 637 HH22 ARG 86 2HH2 ARG 86 -1.686 -14.655 -22.121 638 H GLY 87 H GLY 87 -5.063 -8.235 -17.904 639 HA2 GLY 87 1HA GLY 87 -5.995 -6.319 -18.766 640 HA3 GLY 87 2HA GLY 87 -4.559 -6.159 -19.767 641 H HIS 88 H HIS 88 -7.500 -5.793 -20.298 642 HA HIS 88 HA HIS 88 -7.555 -7.378 -22.766 643 HB2 HIS 88 1HB HIS 88 -9.542 -7.401 -20.573 644 HB3 HIS 88 2HB HIS 88 -10.199 -7.296 -22.204 645 HD1 HIS 88 HD1 HIS 88 -8.086 -9.549 -20.037 646 HD2 HIS 88 HD2 HIS 88 -10.156 -9.643 -23.638 647 HE1 HIS 88 HE1 HIS 88 -8.078 -11.959 -20.755 648 HA PRO 89 HA PRO 89 -8.676 -3.638 -24.766 649 HB2 PRO 89 1HB PRO 89 -10.316 -4.532 -26.737 650 HB3 PRO 89 2HB PRO 89 -8.568 -4.793 -26.750 651 HG2 PRO 89 1HG PRO 89 -10.756 -6.664 -25.931 652 HG3 PRO 89 2HG PRO 89 -9.307 -6.992 -26.899 653 HD2 PRO 89 1HD PRO 89 -9.478 -7.627 -24.272 654 HD3 PRO 89 2HD PRO 89 -7.950 -7.155 -25.043 655 H GLY 90 H GLY 90 -9.943 -2.182 -23.785 656 HA2 GLY 90 1HA GLY 90 -11.890 -1.037 -23.295 657 HA3 GLY 90 2HA GLY 90 -12.795 -2.317 -24.089 658 H VAL 91 H VAL 91 -10.679 -3.560 -21.788 659 HA VAL 91 HA VAL 91 -12.787 -3.574 -19.728 660 HB VAL 91 HB VAL 91 -10.987 -5.912 -20.370 661 HG11 VAL 91 1HG1 VAL 91 -13.413 -6.489 -18.920 662 HG12 VAL 91 2HG1 VAL 91 -11.738 -6.849 -18.497 663 HG13 VAL 91 3HG1 VAL 91 -12.440 -5.287 -18.073 664 HG21 VAL 91 3HG2 VAL 91 -13.865 -5.416 -21.121 665 HG22 VAL 91 1HG2 VAL 91 -12.496 -5.616 -22.214 666 HG23 VAL 91 2HG2 VAL 91 -13.057 -6.979 -21.246 667 H ILE 92 H ILE 92 -9.346 -4.361 -20.252 668 HA ILE 92 HA ILE 92 -8.664 -2.789 -17.890 669 HB ILE 92 HB ILE 92 -7.796 -5.663 -18.222 670 HG12 ILE 92 1HG1 ILE 92 -9.568 -4.347 -16.152 671 HG13 ILE 92 2HG1 ILE 92 -10.098 -5.459 -17.409 672 HG21 ILE 92 1HG2 ILE 92 -6.569 -5.388 -16.174 673 HG22 ILE 92 2HG2 ILE 92 -6.052 -4.149 -17.316 674 HG23 ILE 92 3HG2 ILE 92 -7.150 -3.732 -16.000 675 HD11 ILE 92 3HD1 ILE 92 -8.616 -6.001 -14.894 676 HD12 ILE 92 1HD1 ILE 92 -9.973 -6.863 -15.618 677 HD13 ILE 92 2HD1 ILE 92 -8.350 -7.055 -16.283 678 HA PRO 93 HA PRO 93 -5.408 -1.550 -20.611 679 HB2 PRO 93 1HB PRO 93 -3.909 -0.212 -18.785 680 HB3 PRO 93 2HB PRO 93 -5.414 0.433 -19.450 681 HG2 PRO 93 1HG PRO 93 -4.936 -0.944 -16.836 682 HG3 PRO 93 2HG PRO 93 -5.916 0.493 -17.180 683 HD2 PRO 93 1HD PRO 93 -7.001 -1.967 -16.857 684 HD3 PRO 93 2HD PRO 93 -7.698 -0.752 -17.948 685 HA PRO 94 HA PRO 94 -2.124 -4.445 -20.156 686 HB2 PRO 94 1HB PRO 94 -0.090 -3.109 -21.359 687 HB3 PRO 94 2HB PRO 94 -1.440 -3.812 -22.256 688 HG2 PRO 94 1HG PRO 94 -1.005 -0.976 -21.403 689 HG3 PRO 94 2HG PRO 94 -1.598 -1.600 -22.954 690 HD2 PRO 94 1HD PRO 94 -3.253 -0.608 -21.053 691 HD3 PRO 94 2HD PRO 94 -3.736 -1.917 -22.152 692 H ASN 95 H ASN 95 -1.646 -4.638 -17.996 693 HA ASN 95 HA ASN 95 -0.627 -4.276 -15.983 694 HB2 ASN 95 1HB ASN 95 1.688 -3.247 -17.619 695 HB3 ASN 95 2HB ASN 95 1.740 -4.119 -16.090 696 HD21 ASN 95 2HD2 ASN 95 1.095 -4.392 -19.517 697 HD22 ASN 95 1HD2 ASN 95 1.326 -6.101 -19.619 698 H ALA 96 H ALA 96 -2.307 -2.334 -16.126 699 HA ALA 96 HA ALA 96 -0.789 0.084 -15.401 700 HB1 ALA 96 1HB ALA 96 -3.497 0.521 -16.462 701 HB2 ALA 96 2HB ALA 96 -2.010 1.432 -16.725 702 HB3 ALA 96 3HB ALA 96 -2.308 -0.051 -17.632 703 H THR 97 H THR 97 -1.698 1.385 -13.758 704 HA THR 97 HA THR 97 -2.793 0.044 -11.593 705 HB THR 97 HB THR 97 -3.391 2.953 -11.878 706 HG1 THR 97 HG1 THR 97 -1.180 3.426 -11.507 707 HG21 THR 97 3HG2 THR 97 -3.741 1.506 -9.793 708 HG22 THR 97 1HG2 THR 97 -2.885 3.033 -9.585 709 HG23 THR 97 2HG2 THR 97 -1.984 1.518 -9.642 710 H LEU 98 H LEU 98 -4.835 -0.189 -10.749 711 HA LEU 98 HA LEU 98 -7.081 0.738 -12.408 712 HB2 LEU 98 1HB LEU 98 -7.124 -1.918 -11.023 713 HB3 LEU 98 2HB LEU 98 -8.160 -1.332 -12.322 714 HG LEU 98 HG LEU 98 -5.234 -1.934 -12.701 715 HD11 LEU 98 1HD1 LEU 98 -6.043 -4.028 -12.125 716 HD12 LEU 98 2HD1 LEU 98 -6.225 -4.006 -13.879 717 HD13 LEU 98 3HD1 LEU 98 -7.625 -3.727 -12.844 718 HD21 LEU 98 3HD2 LEU 98 -5.996 -0.541 -14.430 719 HD22 LEU 98 1HD2 LEU 98 -7.550 -1.370 -14.529 720 HD23 LEU 98 2HD2 LEU 98 -6.085 -2.174 -15.092 721 H THR 99 H THR 99 -9.011 1.183 -11.310 722 HA THR 99 HA THR 99 -8.808 1.241 -8.371 723 HB THR 99 HB THR 99 -10.267 3.367 -9.921 724 HG1 THR 99 HG1 THR 99 -8.329 4.633 -9.632 725 HG21 THR 99 3HG2 THR 99 -9.283 3.015 -7.111 726 HG22 THR 99 1HG2 THR 99 -10.893 3.457 -7.678 727 HG23 THR 99 2HG2 THR 99 -9.576 4.626 -7.765 728 H PHE 100 H PHE 100 -10.160 -0.377 -7.814 729 HA PHE 100 HA PHE 100 -12.822 -0.459 -9.056 730 HB2 PHE 100 1HB PHE 100 -11.338 -2.555 -7.456 731 HB3 PHE 100 2HB PHE 100 -12.969 -2.747 -8.091 732 HD1 PHE 100 HD1 PHE 100 -9.414 -2.546 -8.937 733 HD2 PHE 100 HD2 PHE 100 -13.356 -3.126 -10.433 734 HE1 PHE 100 HE1 PHE 100 -8.483 -3.381 -11.056 735 HE2 PHE 100 HE2 PHE 100 -12.432 -3.962 -12.554 736 HZ PHE 100 HZ PHE 100 -9.992 -4.091 -12.867 737 H ASP 101 H ASP 101 -14.420 0.444 -7.960 738 HA ASP 101 HA ASP 101 -14.153 1.242 -5.235 739 HB2 ASP 101 1HB ASP 101 -15.524 2.703 -6.367 740 HB3 ASP 101 2HB ASP 101 -16.276 1.427 -7.321 741 H VAL 102 H VAL 102 -14.298 -0.094 -3.568 742 HA VAL 102 HA VAL 102 -16.029 -2.460 -3.779 743 HB VAL 102 HB VAL 102 -13.892 -1.931 -1.713 744 HG11 VAL 102 1HG1 VAL 102 -14.404 -4.687 -2.205 745 HG12 VAL 102 2HG1 VAL 102 -14.648 -3.766 -0.719 746 HG13 VAL 102 3HG1 VAL 102 -15.942 -3.875 -1.913 747 HG21 VAL 102 3HG2 VAL 102 -12.930 -2.022 -3.975 748 HG22 VAL 102 1HG2 VAL 102 -12.451 -3.408 -2.994 749 HG23 VAL 102 2HG2 VAL 102 -13.699 -3.589 -4.227 750 H GLU 103 H GLU 103 -17.685 -2.813 -2.385 751 HA GLU 103 HA GLU 103 -18.076 -0.907 -0.185 752 HB2 GLU 103 1HB GLU 103 -19.468 -0.068 -1.951 753 HB3 GLU 103 2HB GLU 103 -20.101 -1.672 -2.288 754 HG2 GLU 103 1HG GLU 103 -21.239 -1.703 -0.149 755 HG3 GLU 103 2HG GLU 103 -20.556 -0.129 0.256 756 H LEU 104 H LEU 104 -18.026 -2.105 1.597 757 HA LEU 104 HA LEU 104 -18.554 -4.873 1.691 758 HB2 LEU 104 1HB LEU 104 -17.281 -3.198 3.318 759 HB3 LEU 104 2HB LEU 104 -18.833 -3.239 4.153 760 HG LEU 104 HG LEU 104 -17.511 -4.844 5.232 761 HD11 LEU 104 1HD1 LEU 104 -18.723 -6.818 4.964 762 HD12 LEU 104 2HD1 LEU 104 -18.953 -6.555 3.236 763 HD13 LEU 104 3HD1 LEU 104 -19.827 -5.562 4.403 764 HD21 LEU 104 3HD2 LEU 104 -16.227 -5.052 2.706 765 HD22 LEU 104 1HD2 LEU 104 -16.741 -6.665 3.201 766 HD23 LEU 104 2HD2 LEU 104 -15.712 -5.704 4.263 767 H LEU 105 H LEU 105 -20.374 -6.002 2.003 768 HA LEU 105 HA LEU 105 -22.836 -4.491 2.578 769 HB2 LEU 105 1HB LEU 105 -22.203 -6.679 0.697 770 HB3 LEU 105 2HB LEU 105 -23.764 -6.775 1.509 771 HG LEU 105 HG LEU 105 -23.996 -5.731 -0.666 772 HD11 LEU 105 1HD1 LEU 105 -25.080 -4.838 1.634 773 HD12 LEU 105 2HD1 LEU 105 -25.489 -4.203 0.041 774 HD13 LEU 105 3HD1 LEU 105 -24.314 -3.361 1.050 775 HD21 LEU 105 3HD2 LEU 105 -21.872 -4.813 -1.101 776 HD22 LEU 105 1HD2 LEU 105 -21.895 -3.852 0.377 777 HD23 LEU 105 2HD2 LEU 105 -22.961 -3.432 -0.964 778 H ARG 106 H ARG 106 -20.971 -7.375 3.300 779 HA ARG 106 HA ARG 106 -21.947 -7.570 5.930 780 HB2 ARG 106 1HB ARG 106 -23.170 -9.743 5.702 781 HB3 ARG 106 2HB ARG 106 -24.005 -8.366 4.996 782 HG2 ARG 106 1HG ARG 106 -23.103 -9.055 2.773 783 HG3 ARG 106 2HG ARG 106 -22.484 -10.516 3.545 784 HD2 ARG 106 1HD ARG 106 -25.346 -9.833 3.952 785 HD3 ARG 106 2HD ARG 106 -24.862 -10.436 2.367 786 HE ARG 106 HE ARG 106 -23.771 -12.160 4.238 787 HH11 ARG 106 1HH1 ARG 106 -26.939 -11.117 3.241 788 HH12 ARG 106 2HH1 ARG 106 -27.707 -12.612 3.663 789 HH21 ARG 106 1HH2 ARG 106 -24.770 -14.132 4.797 790 HH22 ARG 106 2HH2 ARG 106 -26.472 -14.326 4.549 791 H VAL 107 H VAL 107 -21.117 -9.498 7.060 792 HA VAL 107 HA VAL 107 -18.807 -10.677 5.657 793 HB VAL 107 HB VAL 107 -18.014 -9.054 7.283 794 HG11 VAL 107 1HG1 VAL 107 -20.105 -10.227 8.916 795 HG12 VAL 107 2HG1 VAL 107 -18.568 -10.116 9.775 796 HG13 VAL 107 3HG1 VAL 107 -19.291 -8.670 9.070 797 HG21 VAL 107 3HG2 VAL 107 -16.703 -11.089 6.942 798 HG22 VAL 107 1HG2 VAL 107 -16.557 -10.506 8.600 799 HG23 VAL 107 2HG2 VAL 107 -17.594 -11.886 8.239 800 H GLU 108 H GLU 108 -18.320 -12.824 6.075 801 HA GLU 108 HA GLU 108 -20.083 -14.305 7.881 802 HB2 GLU 108 1HB GLU 108 -19.691 -14.931 4.952 803 HB3 GLU 108 2HB GLU 108 -20.392 -16.056 6.107 804 HG2 GLU 108 1HG GLU 108 -21.566 -13.333 5.835 805 HG3 GLU 108 2HG GLU 108 -21.912 -14.553 4.611 Start of MODEL 6 1 H1 MET 1 H MET 1 1.986 -1.142 0.895 2 HA MET 1 HA MET 1 1.675 0.922 -1.131 3 HB2 MET 1 1HB MET 1 3.898 0.315 -0.066 4 HB3 MET 1 2HB MET 1 3.830 -1.184 -0.983 5 HG2 MET 1 1HG MET 1 3.772 0.087 -3.065 6 HG3 MET 1 2HG MET 1 3.835 1.590 -2.147 7 HE1 MET 1 3HE MET 1 5.346 -1.672 -2.996 8 HE2 MET 1 1HE MET 1 6.379 -0.794 -4.124 9 HE3 MET 1 2HE MET 1 7.079 -1.545 -2.690 10 H GLY 2 H GLY 2 1.217 0.566 -3.268 11 HA2 GLY 2 1HA GLY 2 0.930 -0.777 -5.204 12 HA3 GLY 2 2HA GLY 2 0.843 -2.198 -4.173 13 H VAL 3 H VAL 3 -1.048 -0.490 -2.423 14 HA VAL 3 HA VAL 3 -3.417 -0.401 -4.112 15 HB VAL 3 HB VAL 3 -3.452 -2.707 -3.399 16 HG11 VAL 3 1HG1 VAL 3 -2.269 -1.705 -1.054 17 HG12 VAL 3 2HG1 VAL 3 -3.812 -2.414 -0.573 18 HG13 VAL 3 3HG1 VAL 3 -2.630 -3.385 -1.451 19 HG21 VAL 3 3HG2 VAL 3 -5.648 -2.716 -2.894 20 HG22 VAL 3 1HG2 VAL 3 -5.436 -1.662 -1.496 21 HG23 VAL 3 2HG2 VAL 3 -5.510 -0.972 -3.117 22 H GLN 4 H GLN 4 -4.545 1.353 -3.612 23 HA GLN 4 HA GLN 4 -4.299 2.449 -0.888 24 HB2 GLN 4 1HB GLN 4 -4.107 3.704 -3.540 25 HB3 GLN 4 2HB GLN 4 -5.128 4.570 -2.400 26 HG2 GLN 4 1HG GLN 4 -3.032 5.517 -2.107 27 HG3 GLN 4 2HG GLN 4 -3.166 4.370 -0.775 28 HE21 GLN 4 2HE2 GLN 4 -1.658 2.845 -0.559 29 HE22 GLN 4 1HE2 GLN 4 -0.395 2.527 -1.694 30 H VAL 5 H VAL 5 -6.122 3.009 0.204 31 HA VAL 5 HA VAL 5 -8.688 2.508 -1.161 32 HB VAL 5 HB VAL 5 -8.297 0.766 0.465 33 HG11 VAL 5 1HG1 VAL 5 -7.841 1.156 2.768 34 HG12 VAL 5 2HG1 VAL 5 -6.688 2.118 1.842 35 HG13 VAL 5 3HG1 VAL 5 -8.087 2.892 2.587 36 HG21 VAL 5 3HG2 VAL 5 -10.585 1.742 0.207 37 HG22 VAL 5 1HG2 VAL 5 -10.298 0.955 1.759 38 HG23 VAL 5 2HG2 VAL 5 -10.272 2.714 1.644 39 H VAL 6 H VAL 6 -9.954 4.227 -1.327 40 HA VAL 6 HA VAL 6 -9.607 6.425 0.608 41 HB VAL 6 HB VAL 6 -10.744 6.753 -2.161 42 HG11 VAL 6 1HG1 VAL 6 -9.596 8.656 -0.125 43 HG12 VAL 6 2HG1 VAL 6 -10.013 9.109 -1.778 44 HG13 VAL 6 3HG1 VAL 6 -11.269 8.553 -0.672 45 HG21 VAL 6 3HG2 VAL 6 -7.868 6.886 -1.279 46 HG22 VAL 6 1HG2 VAL 6 -8.568 5.906 -2.568 47 HG23 VAL 6 2HG2 VAL 6 -8.461 7.657 -2.750 48 H THR 7 H THR 7 -11.206 6.363 2.046 49 HA THR 7 HA THR 7 -13.649 5.077 1.796 50 HB THR 7 HB THR 7 -13.062 7.502 3.506 51 HG1 THR 7 HG1 THR 7 -11.627 5.702 3.840 52 HG21 THR 7 3HG2 THR 7 -15.203 7.344 4.114 53 HG22 THR 7 1HG2 THR 7 -14.827 5.768 4.807 54 HG23 THR 7 2HG2 THR 7 -15.426 5.883 3.152 55 H LEU 8 H LEU 8 -15.616 5.599 1.005 56 HA LEU 8 HA LEU 8 -15.922 8.272 -0.198 57 HB2 LEU 8 1HB LEU 8 -17.129 5.690 -1.177 58 HB3 LEU 8 2HB LEU 8 -17.274 7.273 -1.938 59 HG LEU 8 HG LEU 8 -14.573 6.039 -1.586 60 HD11 LEU 8 1HD1 LEU 8 -16.056 4.323 -2.606 61 HD12 LEU 8 2HD1 LEU 8 -14.760 4.872 -3.668 62 HD13 LEU 8 3HD1 LEU 8 -16.405 5.461 -3.907 63 HD21 LEU 8 3HD2 LEU 8 -14.726 8.352 -2.328 64 HD22 LEU 8 1HD2 LEU 8 -15.791 7.873 -3.649 65 HD23 LEU 8 2HD2 LEU 8 -14.116 7.322 -3.624 66 H ALA 9 H ALA 9 -17.620 5.539 1.286 67 HA ALA 9 HA ALA 9 -19.553 7.431 2.408 68 HB1 ALA 9 1HB ALA 9 -21.441 6.338 1.656 69 HB2 ALA 9 2HB ALA 9 -20.373 6.221 0.257 70 HB3 ALA 9 3HB ALA 9 -20.572 4.837 1.332 71 H ALA 10 H ALA 10 -18.993 7.214 4.503 72 HA ALA 10 HA ALA 10 -17.974 5.005 5.798 73 HB1 ALA 10 1HB ALA 10 -18.273 6.152 7.760 74 HB2 ALA 10 2HB ALA 10 -18.388 7.471 6.594 75 HB3 ALA 10 3HB ALA 10 -19.853 6.775 7.285 76 H GLY 11 H GLY 11 -18.854 3.354 7.076 77 HA2 GLY 11 1HA GLY 11 -21.736 2.853 6.667 78 HA3 GLY 11 2HA GLY 11 -20.542 1.582 6.444 79 H ASP 12 H ASP 12 -20.624 0.187 8.063 80 HA ASP 12 HA ASP 12 -21.649 0.899 10.644 81 HB2 ASP 12 1HB ASP 12 -21.898 -1.359 9.482 82 HB3 ASP 12 2HB ASP 12 -20.225 -1.666 9.941 83 H GLU 13 H GLU 13 -18.501 0.582 9.204 84 HA GLU 13 HA GLU 13 -16.379 0.644 10.091 85 HB2 GLU 13 1HB GLU 13 -15.948 2.704 11.312 86 HB3 GLU 13 2HB GLU 13 -17.069 3.005 9.990 87 HG2 GLU 13 1HG GLU 13 -18.883 3.270 11.425 88 HG3 GLU 13 2HG GLU 13 -18.057 2.477 12.765 89 H ALA 14 H ALA 14 -17.860 -1.337 11.370 90 HA ALA 14 HA ALA 14 -16.535 -1.362 13.969 91 HB1 ALA 14 1HB ALA 14 -19.166 -2.485 14.277 92 HB2 ALA 14 2HB ALA 14 -18.366 -1.224 15.217 93 HB3 ALA 14 3HB ALA 14 -19.264 -0.802 13.759 94 H THR 15 H THR 15 -18.464 -3.116 11.577 95 HA THR 15 HA THR 15 -17.323 -5.651 12.504 96 HB THR 15 HB THR 15 -19.340 -5.450 10.294 97 HG1 THR 15 HG1 THR 15 -20.348 -4.279 11.879 98 HG21 THR 15 3HG2 THR 15 -19.860 -7.646 10.840 99 HG22 THR 15 1HG2 THR 15 -19.240 -7.492 12.483 100 HG23 THR 15 2HG2 THR 15 -18.121 -7.593 11.123 101 H TYR 16 H TYR 16 -15.428 -6.150 11.615 102 HA TYR 16 HA TYR 16 -15.031 -5.580 8.751 103 HB2 TYR 16 1HB TYR 16 -12.968 -5.834 10.948 104 HB3 TYR 16 2HB TYR 16 -12.601 -5.596 9.243 105 HD1 TYR 16 HD1 TYR 16 -14.390 -4.029 12.108 106 HD2 TYR 16 HD2 TYR 16 -12.449 -3.437 8.368 107 HE1 TYR 16 HE1 TYR 16 -14.535 -1.594 12.424 108 HE2 TYR 16 HE2 TYR 16 -12.588 -1.001 8.674 109 HH TYR 16 HH TYR 16 -13.139 0.652 10.058 110 HA PRO 17 HA PRO 17 -14.651 -9.872 7.912 111 HB2 PRO 17 1HB PRO 17 -12.827 -9.851 5.901 112 HB3 PRO 17 2HB PRO 17 -14.494 -9.299 5.693 113 HG2 PRO 17 1HG PRO 17 -12.009 -7.693 6.148 114 HG3 PRO 17 2HG PRO 17 -13.348 -7.389 5.025 115 HD2 PRO 17 1HD PRO 17 -13.118 -6.106 7.398 116 HD3 PRO 17 2HD PRO 17 -14.690 -6.492 6.669 117 H LYS 18 H LYS 18 -13.564 -11.541 8.766 118 HA LYS 18 HA LYS 18 -10.995 -11.031 10.028 119 HB2 LYS 18 1HB LYS 18 -13.082 -12.349 10.977 120 HB3 LYS 18 2HB LYS 18 -12.342 -13.696 10.122 121 HG2 LYS 18 1HG LYS 18 -10.425 -13.643 11.454 122 HG3 LYS 18 2HG LYS 18 -10.774 -12.017 12.046 123 HD2 LYS 18 1HD LYS 18 -12.721 -12.887 13.259 124 HD3 LYS 18 2HD LYS 18 -12.356 -14.511 12.673 125 HE2 LYS 18 1HE LYS 18 -10.414 -14.665 13.960 126 HE3 LYS 18 2HE LYS 18 -10.321 -12.921 14.195 127 HZ1 LYS 18 3HZ LYS 18 -12.745 -14.004 15.237 128 HZ2 LYS 18 1HZ LYS 18 -11.572 -13.058 16.007 129 HZ3 LYS 18 2HZ LYS 18 -11.390 -14.738 15.937 130 H ALA 19 H ALA 19 -9.098 -12.124 9.582 131 HA ALA 19 HA ALA 19 -8.566 -12.799 6.928 132 HB1 ALA 19 1HB ALA 19 -6.399 -13.432 7.645 133 HB2 ALA 19 2HB ALA 19 -6.905 -12.105 8.692 134 HB3 ALA 19 3HB ALA 19 -6.963 -13.766 9.283 135 H GLY 20 H GLY 20 -9.377 -14.465 5.835 136 HA2 GLY 20 1HA GLY 20 -9.256 -16.831 5.392 137 HA3 GLY 20 2HA GLY 20 -9.336 -17.114 7.124 138 H GLN 21 H GLN 21 -11.506 -14.851 6.982 139 HA GLN 21 HA GLN 21 -13.709 -16.725 6.753 140 HB2 GLN 21 1HB GLN 21 -13.287 -14.060 7.965 141 HB3 GLN 21 2HB GLN 21 -14.906 -14.377 7.356 142 HG2 GLN 21 1HG GLN 21 -15.130 -16.295 8.770 143 HG3 GLN 21 2HG GLN 21 -13.446 -16.173 9.277 144 HE21 GLN 21 2HE2 GLN 21 -15.918 -13.671 8.918 145 HE22 GLN 21 1HE2 GLN 21 -15.882 -13.150 10.564 146 H VAL 22 H VAL 22 -15.718 -16.043 5.622 147 HA VAL 22 HA VAL 22 -15.026 -14.965 2.988 148 HB VAL 22 HB VAL 22 -16.131 -17.177 3.090 149 HG11 VAL 22 1HG1 VAL 22 -18.308 -17.496 3.885 150 HG12 VAL 22 2HG1 VAL 22 -17.543 -16.487 5.114 151 HG13 VAL 22 3HG1 VAL 22 -18.640 -15.765 3.936 152 HG21 VAL 22 3HG2 VAL 22 -17.625 -14.925 1.761 153 HG22 VAL 22 1HG2 VAL 22 -16.376 -15.957 1.065 154 HG23 VAL 22 2HG2 VAL 22 -17.961 -16.629 1.451 155 H ALA 23 H ALA 23 -15.802 -13.087 2.238 156 HA ALA 23 HA ALA 23 -17.978 -11.774 3.722 157 HB1 ALA 23 1HB ALA 23 -15.674 -10.201 2.629 158 HB2 ALA 23 2HB ALA 23 -16.862 -9.734 3.846 159 HB3 ALA 23 3HB ALA 23 -15.612 -10.913 4.241 160 H VAL 24 H VAL 24 -19.226 -10.263 2.508 161 HA VAL 24 HA VAL 24 -19.016 -10.644 -0.409 162 HB VAL 24 HB VAL 24 -21.571 -10.081 1.092 163 HG11 VAL 24 1HG1 VAL 24 -20.948 -9.880 -1.591 164 HG12 VAL 24 2HG1 VAL 24 -21.729 -11.457 -1.460 165 HG13 VAL 24 3HG1 VAL 24 -22.566 -10.009 -0.902 166 HG21 VAL 24 3HG2 VAL 24 -20.086 -12.550 0.871 167 HG22 VAL 24 1HG2 VAL 24 -21.536 -12.189 1.808 168 HG23 VAL 24 2HG2 VAL 24 -21.676 -12.688 0.122 169 H VAL 25 H VAL 25 -18.783 -8.873 -1.612 170 HA VAL 25 HA VAL 25 -19.737 -6.296 -0.621 171 HB VAL 25 HB VAL 25 -17.711 -5.154 -0.797 172 HG11 VAL 25 1HG1 VAL 25 -16.727 -7.799 0.231 173 HG12 VAL 25 2HG1 VAL 25 -16.292 -6.175 0.768 174 HG13 VAL 25 3HG1 VAL 25 -17.893 -6.824 1.124 175 HG21 VAL 25 3HG2 VAL 25 -16.929 -7.414 -2.550 176 HG22 VAL 25 1HG2 VAL 25 -16.673 -5.680 -2.750 177 HG23 VAL 25 2HG2 VAL 25 -15.646 -6.603 -1.653 178 H HIS 26 H HIS 26 -19.438 -4.570 -2.351 179 HA HIS 26 HA HIS 26 -20.057 -5.768 -4.965 180 HB2 HIS 26 1HB HIS 26 -21.144 -3.478 -3.466 181 HB3 HIS 26 2HB HIS 26 -20.869 -3.169 -5.178 182 HD1 HIS 26 HD1 HIS 26 -21.904 -5.334 -6.710 183 HD2 HIS 26 HD2 HIS 26 -23.631 -4.413 -3.045 184 HE1 HIS 26 HE1 HIS 26 -24.206 -6.342 -6.780 185 H TYR 27 H TYR 27 -18.680 -5.485 -6.587 186 HA TYR 27 HA TYR 27 -16.530 -3.512 -6.263 187 HB2 TYR 27 1HB TYR 27 -15.259 -4.838 -7.846 188 HB3 TYR 27 2HB TYR 27 -15.872 -5.886 -6.572 189 HD1 TYR 27 HD2 TYR 27 -16.313 -4.886 -10.099 190 HD2 TYR 27 HD1 TYR 27 -17.375 -7.668 -7.060 191 HE1 TYR 27 HE2 TYR 27 -17.328 -6.346 -11.798 192 HE2 TYR 27 HE1 TYR 27 -18.392 -9.136 -8.751 193 HH TYR 27 HH TYR 27 -18.120 -8.444 -12.187 194 H THR 28 H THR 28 -16.147 -1.942 -7.753 195 HA THR 28 HA THR 28 -17.889 -1.843 -10.122 196 HB THR 28 HB THR 28 -17.339 0.462 -8.243 197 HG1 THR 28 HG1 THR 28 -19.009 -0.754 -7.440 198 HG21 THR 28 3HG2 THR 28 -19.314 1.132 -10.131 199 HG22 THR 28 1HG2 THR 28 -17.977 0.433 -11.043 200 HG23 THR 28 2HG2 THR 28 -17.694 1.812 -9.980 201 H GLY 29 H GLY 29 -16.763 -1.585 -11.934 202 HA2 GLY 29 1HA GLY 29 -13.962 -1.223 -11.953 203 HA3 GLY 29 2HA GLY 29 -15.014 -1.161 -13.359 204 H THR 30 H THR 30 -12.670 0.499 -12.432 205 HA THR 30 HA THR 30 -13.648 3.003 -13.354 206 HB THR 30 HB THR 30 -12.558 3.730 -10.813 207 HG1 THR 30 HG1 THR 30 -14.973 2.318 -10.466 208 HG21 THR 30 3HG2 THR 30 -14.379 5.165 -10.733 209 HG22 THR 30 1HG2 THR 30 -15.441 4.031 -11.565 210 HG23 THR 30 2HG2 THR 30 -14.196 4.896 -12.466 211 H LEU 31 H LEU 31 -12.007 4.294 -14.065 212 HA LEU 31 HA LEU 31 -9.308 3.193 -13.811 213 HB2 LEU 31 1HB LEU 31 -10.632 5.047 -15.754 214 HB3 LEU 31 2HB LEU 31 -8.875 4.965 -15.645 215 HG LEU 31 HG LEU 31 -10.715 2.680 -16.352 216 HD11 LEU 31 1HD1 LEU 31 -8.836 4.341 -18.022 217 HD12 LEU 31 2HD1 LEU 31 -10.594 4.280 -18.147 218 HD13 LEU 31 3HD1 LEU 31 -9.631 2.863 -18.566 219 HD21 LEU 31 3HD2 LEU 31 -7.908 2.803 -15.543 220 HD22 LEU 31 1HD2 LEU 31 -8.179 1.961 -17.069 221 HD23 LEU 31 2HD2 LEU 31 -9.014 1.430 -15.609 222 H ALA 32 H ALA 32 -7.489 4.668 -13.533 223 HA ALA 32 HA ALA 32 -7.739 6.291 -11.275 224 HB1 ALA 32 1HB ALA 32 -5.587 5.592 -11.538 225 HB2 ALA 32 2HB ALA 32 -5.610 5.811 -13.288 226 HB3 ALA 32 3HB ALA 32 -5.445 7.210 -12.227 227 H ASP 33 H ASP 33 -8.299 6.984 -14.601 228 HA ASP 33 HA ASP 33 -8.042 9.848 -14.324 229 HB2 ASP 33 1HB ASP 33 -9.165 8.168 -16.576 230 HB3 ASP 33 2HB ASP 33 -8.899 9.907 -16.647 231 H GLY 34 H GLY 34 -10.419 7.526 -13.653 232 HA2 GLY 34 1HA GLY 34 -12.341 8.278 -12.361 233 HA3 GLY 34 2HA GLY 34 -12.441 9.666 -13.435 234 H LYS 35 H LYS 35 -11.784 7.599 -15.659 235 HA LYS 35 HA LYS 35 -14.310 7.364 -16.742 236 HB2 LYS 35 1HB LYS 35 -11.708 6.541 -17.429 237 HB3 LYS 35 2HB LYS 35 -12.704 5.094 -17.512 238 HG2 LYS 35 1HG LYS 35 -13.271 7.690 -18.931 239 HG3 LYS 35 2HG LYS 35 -12.570 6.245 -19.663 240 HD2 LYS 35 1HD LYS 35 -14.574 5.288 -19.903 241 HD3 LYS 35 2HD LYS 35 -15.032 5.663 -18.240 242 HE2 LYS 35 1HE LYS 35 -14.987 8.039 -19.886 243 HE3 LYS 35 2HE LYS 35 -16.051 6.809 -20.566 244 HZ1 LYS 35 3HZ LYS 35 -17.523 7.082 -18.929 245 HZ2 LYS 35 1HZ LYS 35 -16.722 8.536 -18.601 246 HZ3 LYS 35 2HZ LYS 35 -16.339 7.143 -17.723 247 H VAL 36 H VAL 36 -16.043 6.337 -16.017 248 HA VAL 36 HA VAL 36 -15.885 4.258 -14.056 249 HB VAL 36 HB VAL 36 -17.747 5.954 -14.223 250 HG11 VAL 36 1HG1 VAL 36 -18.090 5.792 -16.648 251 HG12 VAL 36 2HG1 VAL 36 -18.689 4.144 -16.446 252 HG13 VAL 36 3HG1 VAL 36 -19.580 5.500 -15.753 253 HG21 VAL 36 3HG2 VAL 36 -17.749 3.337 -13.323 254 HG22 VAL 36 1HG2 VAL 36 -18.931 4.584 -12.921 255 HG23 VAL 36 2HG2 VAL 36 -19.243 3.467 -14.250 256 H PHE 37 H PHE 37 -16.361 2.089 -14.261 257 HA PHE 37 HA PHE 37 -16.626 1.062 -17.008 258 HB2 PHE 37 1HB PHE 37 -14.664 0.366 -14.891 259 HB3 PHE 37 2HB PHE 37 -15.314 -0.969 -15.838 260 HD1 PHE 37 HD1 PHE 37 -13.769 2.393 -16.261 261 HD2 PHE 37 HD2 PHE 37 -14.314 -1.523 -17.839 262 HE1 PHE 37 HE1 PHE 37 -12.171 2.900 -18.061 263 HE2 PHE 37 HE2 PHE 37 -12.715 -1.023 -19.641 264 HZ PHE 37 HZ PHE 37 -11.641 1.191 -19.753 265 H ASP 38 H ASP 38 -17.014 -1.535 -16.646 266 HA ASP 38 HA ASP 38 -19.670 -1.771 -15.860 267 HB2 ASP 38 1HB ASP 38 -18.091 -3.356 -17.263 268 HB3 ASP 38 2HB ASP 38 -17.879 -4.160 -15.710 269 H SER 39 H SER 39 -20.674 -2.071 -13.973 270 HA SER 39 HA SER 39 -19.036 -2.770 -11.625 271 HB2 SER 39 1HB SER 39 -20.134 -1.173 -10.294 272 HB3 SER 39 2HB SER 39 -19.863 -0.328 -11.818 273 HG SER 39 HG SER 39 -21.965 0.030 -11.345 274 H SER 40 H SER 40 -19.969 -4.096 -10.072 275 HA SER 40 HA SER 40 -22.011 -5.863 -11.053 276 HB2 SER 40 1HB SER 40 -21.676 -6.899 -8.702 277 HB3 SER 40 2HB SER 40 -20.335 -6.974 -9.845 278 HG SER 40 HG SER 40 -20.567 -4.826 -8.037 279 H ARG 41 H ARG 41 -21.853 -3.153 -8.898 280 HA ARG 41 HA ARG 41 -24.066 -3.543 -7.284 281 HB2 ARG 41 1HB ARG 41 -23.174 -0.924 -8.506 282 HB3 ARG 41 2HB ARG 41 -24.168 -1.115 -7.068 283 HG2 ARG 41 1HG ARG 41 -22.365 -2.010 -5.826 284 HG3 ARG 41 2HG ARG 41 -21.375 -2.200 -7.274 285 HD2 ARG 41 1HD ARG 41 -20.667 -0.267 -5.958 286 HD3 ARG 41 2HD ARG 41 -21.279 0.221 -7.538 287 HE ARG 41 HE ARG 41 -23.274 0.290 -5.477 288 HH11 ARG 41 1HH1 ARG 41 -20.679 2.048 -6.993 289 HH12 ARG 41 2HH1 ARG 41 -21.286 3.603 -6.528 290 HH21 ARG 41 1HH2 ARG 41 -24.083 2.331 -4.859 291 HH22 ARG 41 2HH2 ARG 41 -23.221 3.763 -5.314 292 H THR 42 H THR 42 -23.941 -2.027 -10.500 293 HA THR 42 HA THR 42 -26.663 -1.431 -10.729 294 HB THR 42 HB THR 42 -24.899 -0.570 -12.260 295 HG1 THR 42 HG1 THR 42 -27.114 -0.474 -12.871 296 HG21 THR 42 3HG2 THR 42 -23.636 -1.901 -13.537 297 HG22 THR 42 1HG2 THR 42 -25.040 -2.790 -14.125 298 HG23 THR 42 2HG2 THR 42 -24.278 -3.252 -12.603 299 H ARG 43 H ARG 43 -25.015 -4.439 -10.889 300 HA ARG 43 HA ARG 43 -27.286 -5.749 -12.197 301 HB2 ARG 43 1HB ARG 43 -24.603 -6.900 -11.412 302 HB3 ARG 43 2HB ARG 43 -25.840 -7.706 -12.367 303 HG2 ARG 43 1HG ARG 43 -25.503 -6.273 -14.204 304 HG3 ARG 43 2HG ARG 43 -24.558 -5.137 -13.240 305 HD2 ARG 43 1HD ARG 43 -22.936 -6.282 -14.444 306 HD3 ARG 43 2HD ARG 43 -22.947 -7.118 -12.892 307 HE ARG 43 HE ARG 43 -23.735 -8.999 -13.943 308 HH11 ARG 43 1HH1 ARG 43 -24.033 -6.267 -16.080 309 HH12 ARG 43 2HH1 ARG 43 -24.463 -7.226 -17.457 310 HH21 ARG 43 1HH2 ARG 43 -24.299 -10.272 -15.749 311 HH22 ARG 43 2HH2 ARG 43 -24.614 -9.504 -17.268 312 H GLY 44 H GLY 44 -26.495 -4.847 -9.175 313 HA2 GLY 44 1HA GLY 44 -27.076 -5.545 -7.065 314 HA3 GLY 44 2HA GLY 44 -28.426 -6.335 -7.866 315 H LYS 45 H LYS 45 -25.166 -7.234 -8.651 316 HA LYS 45 HA LYS 45 -25.520 -9.729 -7.121 317 HB2 LYS 45 1HB LYS 45 -25.513 -9.583 -9.825 318 HB3 LYS 45 2HB LYS 45 -23.794 -9.797 -9.521 319 HG2 LYS 45 1HG LYS 45 -25.776 -11.609 -8.216 320 HG3 LYS 45 2HG LYS 45 -25.306 -11.867 -9.898 321 HD2 LYS 45 1HD LYS 45 -23.204 -12.523 -9.349 322 HD3 LYS 45 2HD LYS 45 -23.109 -11.431 -7.966 323 HE2 LYS 45 1HE LYS 45 -24.719 -13.981 -8.054 324 HE3 LYS 45 2HE LYS 45 -23.123 -13.820 -7.323 325 HZ1 LYS 45 3HZ LYS 45 -24.334 -11.888 -6.046 326 HZ2 LYS 45 1HZ LYS 45 -24.425 -13.490 -5.508 327 HZ3 LYS 45 2HZ LYS 45 -25.706 -12.818 -6.386 328 HA PRO 46 HA PRO 46 -21.706 -7.768 -5.499 329 HB2 PRO 46 1HB PRO 46 -22.010 -8.772 -2.995 330 HB3 PRO 46 2HB PRO 46 -22.806 -7.291 -3.540 331 HG2 PRO 46 1HG PRO 46 -23.908 -10.066 -3.329 332 HG3 PRO 46 2HG PRO 46 -24.660 -8.526 -2.873 333 HD2 PRO 46 1HD PRO 46 -25.248 -9.806 -5.185 334 HD3 PRO 46 2HD PRO 46 -25.268 -8.037 -5.042 335 H PHE 47 H PHE 47 -19.713 -8.683 -5.120 336 HA PHE 47 HA PHE 47 -19.524 -11.551 -5.637 337 HB2 PHE 47 1HB PHE 47 -18.166 -9.669 -6.842 338 HB3 PHE 47 2HB PHE 47 -17.152 -9.731 -5.404 339 HD1 PHE 47 HD1 PHE 47 -18.475 -11.761 -8.199 340 HD2 PHE 47 HD2 PHE 47 -15.547 -11.415 -5.129 341 HE1 PHE 47 HE1 PHE 47 -17.258 -13.677 -9.149 342 HE2 PHE 47 HE2 PHE 47 -14.325 -13.330 -6.074 343 HZ PHE 47 HZ PHE 47 -15.179 -14.463 -8.087 344 H ARG 48 H ARG 48 -18.873 -13.008 -4.170 345 HA ARG 48 HA ARG 48 -17.896 -12.003 -1.578 346 HB2 ARG 48 1HB ARG 48 -19.106 -13.747 -0.452 347 HB3 ARG 48 2HB ARG 48 -20.228 -12.889 -1.499 348 HG2 ARG 48 1HG ARG 48 -20.848 -14.946 -2.124 349 HG3 ARG 48 2HG ARG 48 -19.413 -14.872 -3.149 350 HD2 ARG 48 1HD ARG 48 -18.698 -15.696 -0.491 351 HD3 ARG 48 2HD ARG 48 -19.984 -16.725 -1.120 352 HE ARG 48 HE ARG 48 -17.267 -16.731 -1.924 353 HH11 ARG 48 1HH1 ARG 48 -20.503 -17.085 -3.157 354 HH12 ARG 48 2HH1 ARG 48 -20.027 -18.092 -4.484 355 HH21 ARG 48 1HH2 ARG 48 -16.628 -18.056 -3.667 356 HH22 ARG 48 2HH2 ARG 48 -17.822 -18.645 -4.773 357 H PHE 49 H PHE 49 -16.290 -13.179 -0.537 358 HA PHE 49 HA PHE 49 -15.309 -15.671 -1.480 359 HB2 PHE 49 1HB PHE 49 -13.160 -14.932 -2.381 360 HB3 PHE 49 2HB PHE 49 -14.486 -14.252 -3.319 361 HD1 PHE 49 HD2 PHE 49 -11.773 -13.531 -0.979 362 HD2 PHE 49 HD1 PHE 49 -14.952 -11.886 -3.281 363 HE1 PHE 49 HE2 PHE 49 -10.851 -11.276 -0.635 364 HE2 PHE 49 HE1 PHE 49 -14.035 -9.628 -2.941 365 HZ PHE 49 HZ PHE 49 -11.982 -9.321 -1.616 366 H THR 50 H THR 50 -12.987 -16.032 -0.510 367 HA THR 50 HA THR 50 -13.204 -15.315 2.299 368 HB THR 50 HB THR 50 -11.291 -17.194 0.899 369 HG1 THR 50 HG1 THR 50 -13.541 -17.839 0.982 370 HG21 THR 50 3HG2 THR 50 -10.144 -16.630 2.832 371 HG22 THR 50 1HG2 THR 50 -11.085 -18.023 3.362 372 HG23 THR 50 2HG2 THR 50 -11.622 -16.392 3.764 373 H VAL 51 H VAL 51 -12.278 -13.504 2.984 374 HA VAL 51 HA VAL 51 -10.314 -12.066 1.559 375 HB VAL 51 HB VAL 51 -10.878 -11.798 4.509 376 HG11 VAL 51 1HG1 VAL 51 -10.468 -9.318 3.725 377 HG12 VAL 51 2HG1 VAL 51 -9.118 -10.388 4.109 378 HG13 VAL 51 3HG1 VAL 51 -9.578 -10.114 2.428 379 HG21 VAL 51 3HG2 VAL 51 -12.507 -9.989 3.641 380 HG22 VAL 51 1HG2 VAL 51 -12.469 -10.906 2.135 381 HG23 VAL 51 2HG2 VAL 51 -13.024 -11.675 3.622 382 H GLY 52 H GLY 52 -8.422 -13.095 1.150 383 HA2 GLY 52 1HA GLY 52 -6.169 -13.137 2.253 384 HA3 GLY 52 2HA GLY 52 -6.935 -14.130 3.485 385 H ARG 53 H ARG 53 -8.495 -15.256 0.996 386 HA ARG 53 HA ARG 53 -6.779 -17.544 0.702 387 HB2 ARG 53 1HB ARG 53 -9.546 -16.814 -0.092 388 HB3 ARG 53 2HB ARG 53 -8.740 -18.040 -1.061 389 HG2 ARG 53 1HG ARG 53 -8.968 -18.190 1.933 390 HG3 ARG 53 2HG ARG 53 -10.144 -18.901 0.825 391 HD2 ARG 53 1HD ARG 53 -8.081 -20.046 -0.240 392 HD3 ARG 53 2HD ARG 53 -7.280 -19.646 1.279 393 HE ARG 53 HE ARG 53 -8.436 -21.342 2.271 394 HH11 ARG 53 1HH1 ARG 53 -10.071 -20.452 -0.671 395 HH12 ARG 53 2HH1 ARG 53 -11.227 -21.739 -0.571 396 HH21 ARG 53 1HH2 ARG 53 -9.952 -23.040 2.413 397 HH22 ARG 53 2HH2 ARG 53 -11.159 -23.210 1.184 398 H GLY 54 H GLY 54 -6.478 -18.483 -1.567 399 HA2 GLY 54 1HA GLY 54 -5.191 -16.415 -3.178 400 HA3 GLY 54 2HA GLY 54 -4.972 -18.151 -3.344 401 H GLU 55 H GLU 55 -8.211 -17.067 -3.090 402 HA GLU 55 HA GLU 55 -8.705 -17.872 -5.834 403 HB2 GLU 55 1HB GLU 55 -10.700 -16.937 -3.769 404 HB3 GLU 55 2HB GLU 55 -11.045 -17.807 -5.256 405 HG2 GLU 55 1HG GLU 55 -9.677 -19.705 -4.329 406 HG3 GLU 55 2HG GLU 55 -9.669 -18.838 -2.794 407 H VAL 56 H VAL 56 -8.403 -14.974 -3.996 408 HA VAL 56 HA VAL 56 -9.418 -13.402 -6.274 409 HB VAL 56 HB VAL 56 -9.575 -11.514 -4.584 410 HG11 VAL 56 1HG1 VAL 56 -11.768 -12.027 -4.120 411 HG12 VAL 56 2HG1 VAL 56 -11.434 -13.144 -5.445 412 HG13 VAL 56 3HG1 VAL 56 -11.414 -13.720 -3.778 413 HG21 VAL 56 3HG2 VAL 56 -9.926 -13.327 -2.346 414 HG22 VAL 56 1HG2 VAL 56 -8.267 -13.318 -2.944 415 HG23 VAL 56 2HG2 VAL 56 -9.030 -11.811 -2.440 416 H ILE 57 H ILE 57 -8.359 -11.031 -6.024 417 HA ILE 57 HA ILE 57 -5.502 -11.500 -6.376 418 HB ILE 57 HB ILE 57 -5.474 -9.182 -7.292 419 HG12 ILE 57 1HG1 ILE 57 -8.441 -9.191 -7.475 420 HG13 ILE 57 2HG1 ILE 57 -7.740 -8.757 -5.920 421 HG21 ILE 57 1HG2 ILE 57 -6.505 -9.751 -9.383 422 HG22 ILE 57 2HG2 ILE 57 -5.785 -11.207 -8.698 423 HG23 ILE 57 3HG2 ILE 57 -7.528 -10.956 -8.602 424 HD11 ILE 57 3HD1 ILE 57 -6.298 -7.119 -7.297 425 HD12 ILE 57 1HD1 ILE 57 -7.518 -7.359 -8.547 426 HD13 ILE 57 2HD1 ILE 57 -7.985 -6.719 -6.971 427 H ARG 58 H ARG 58 -3.926 -10.017 -5.480 428 HA ARG 58 HA ARG 58 -4.061 -9.730 -2.738 429 HB2 ARG 58 1HB ARG 58 -2.420 -8.063 -4.654 430 HB3 ARG 58 2HB ARG 58 -2.111 -8.255 -2.934 431 HG2 ARG 58 1HG ARG 58 -2.217 -10.664 -4.690 432 HG3 ARG 58 2HG ARG 58 -0.772 -9.651 -4.669 433 HD2 ARG 58 1HD ARG 58 -0.934 -9.879 -2.101 434 HD3 ARG 58 2HD ARG 58 -1.996 -11.244 -2.447 435 HE ARG 58 HE ARG 58 0.426 -11.438 -3.913 436 HH11 ARG 58 1HH1 ARG 58 -0.921 -11.858 -0.730 437 HH12 ARG 58 2HH1 ARG 58 0.247 -13.043 -0.250 438 HH21 ARG 58 1HH2 ARG 58 1.970 -12.999 -3.293 439 HH22 ARG 58 2HH2 ARG 58 1.892 -13.691 -1.708 440 H GLY 59 H GLY 59 -4.758 -7.313 -5.242 441 HA2 GLY 59 1HA GLY 59 -5.148 -5.067 -3.699 442 HA3 GLY 59 2HA GLY 59 -6.057 -5.417 -5.162 443 H TRP 60 H TRP 60 -7.798 -7.227 -4.721 444 HA TRP 60 HA TRP 60 -9.756 -6.103 -3.097 445 HB2 TRP 60 1HB TRP 60 -9.423 -8.790 -4.380 446 HB3 TRP 60 2HB TRP 60 -10.765 -8.518 -3.272 447 HD1 TRP 60 HD1 TRP 60 -10.105 -5.383 -5.080 448 HE1 TRP 60 HE1 TRP 60 -11.777 -5.074 -7.013 449 HE3 TRP 60 HE3 TRP 60 -12.050 -10.109 -5.234 450 HZ2 TRP 60 HZ2 TRP 60 -13.670 -6.628 -8.416 451 HZ3 TRP 60 HZ3 TRP 60 -13.787 -10.615 -6.901 452 HH2 TRP 60 HH2 TRP 60 -14.580 -8.909 -8.458 453 H ASP 61 H ASP 61 -7.510 -8.754 -2.429 454 HA ASP 61 HA ASP 61 -8.475 -9.680 -0.029 455 HB2 ASP 61 1HB ASP 61 -6.322 -10.292 -1.452 456 HB3 ASP 61 2HB ASP 61 -5.529 -9.263 -0.263 457 H GLU 62 H GLU 62 -5.902 -7.218 -0.298 458 HA GLU 62 HA GLU 62 -6.062 -6.448 2.414 459 HB2 GLU 62 1HB GLU 62 -4.906 -5.053 -0.001 460 HB3 GLU 62 2HB GLU 62 -4.750 -4.436 1.638 461 HG2 GLU 62 1HG GLU 62 -3.847 -7.198 0.916 462 HG3 GLU 62 2HG GLU 62 -2.815 -5.791 0.668 463 H GLY 63 H GLY 63 -7.410 -5.029 -0.549 464 HA2 GLY 63 1HA GLY 63 -8.501 -2.706 0.454 465 HA3 GLY 63 2HA GLY 63 -9.217 -3.641 -0.850 466 H VAL 64 H VAL 64 -10.320 -5.755 0.086 467 HA VAL 64 HA VAL 64 -12.534 -4.868 1.595 468 HB VAL 64 HB VAL 64 -12.557 -6.768 -0.046 469 HG11 VAL 64 1HG1 VAL 64 -11.573 -8.778 0.350 470 HG12 VAL 64 2HG1 VAL 64 -10.452 -7.756 1.251 471 HG13 VAL 64 3HG1 VAL 64 -11.724 -8.634 2.101 472 HG21 VAL 64 3HG2 VAL 64 -14.461 -7.513 0.888 473 HG22 VAL 64 1HG2 VAL 64 -13.657 -7.989 2.384 474 HG23 VAL 64 2HG2 VAL 64 -14.126 -6.308 2.130 475 H ALA 65 H ALA 65 -9.562 -6.506 2.461 476 HA ALA 65 HA ALA 65 -10.238 -7.453 4.994 477 HB1 ALA 65 1HB ALA 65 -7.685 -6.658 3.682 478 HB2 ALA 65 2HB ALA 65 -7.691 -6.973 5.417 479 HB3 ALA 65 3HB ALA 65 -8.200 -8.231 4.291 480 H GLN 66 H GLN 66 -9.223 -4.244 3.948 481 HA GLN 66 HA GLN 66 -9.411 -3.269 6.704 482 HB2 GLN 66 1HB GLN 66 -8.333 -1.240 5.881 483 HB3 GLN 66 2HB GLN 66 -7.393 -2.662 5.447 484 HG2 GLN 66 1HG GLN 66 -8.606 -2.547 3.199 485 HG3 GLN 66 2HG GLN 66 -9.073 -0.918 3.686 486 HE21 GLN 66 2HE2 GLN 66 -6.986 -2.472 1.831 487 HE22 GLN 66 1HE2 GLN 66 -5.613 -1.429 1.929 488 H MET 67 H MET 67 -11.741 -4.016 5.047 489 HA MET 67 HA MET 67 -13.059 -1.389 4.859 490 HB2 MET 67 1HB MET 67 -13.500 -3.969 3.383 491 HB3 MET 67 2HB MET 67 -14.768 -2.755 3.476 492 HG2 MET 67 1HG MET 67 -12.084 -1.860 2.607 493 HG3 MET 67 2HG MET 67 -13.020 -2.849 1.488 494 HE1 MET 67 3HE MET 67 -16.217 -0.730 0.904 495 HE2 MET 67 1HE MET 67 -15.371 -2.248 0.602 496 HE3 MET 67 2HE MET 67 -16.055 -1.922 2.195 497 H SER 68 H SER 68 -15.325 -1.301 5.507 498 HA SER 68 HA SER 68 -15.945 -3.233 7.645 499 HB2 SER 68 1HB SER 68 -17.199 -1.258 8.699 500 HB3 SER 68 2HB SER 68 -15.438 -1.213 8.765 501 HG SER 68 HG SER 68 -16.969 0.645 7.831 502 H VAL 69 H VAL 69 -18.086 -3.867 7.905 503 HA VAL 69 HA VAL 69 -19.625 -4.217 5.633 504 HB VAL 69 HB VAL 69 -20.583 -4.163 8.498 505 HG11 VAL 69 1HG1 VAL 69 -22.387 -5.655 7.634 506 HG12 VAL 69 2HG1 VAL 69 -22.475 -3.995 7.040 507 HG13 VAL 69 3HG1 VAL 69 -21.848 -5.274 5.999 508 HG21 VAL 69 3HG2 VAL 69 -20.171 -6.504 8.554 509 HG22 VAL 69 1HG2 VAL 69 -19.812 -6.547 6.828 510 HG23 VAL 69 2HG2 VAL 69 -18.704 -5.742 7.939 511 H GLY 70 H GLY 70 -21.023 -3.001 4.521 512 HA2 GLY 70 1HA GLY 70 -22.583 -1.346 4.073 513 HA3 GLY 70 2HA GLY 70 -22.520 -0.875 5.765 514 H GLN 71 H GLN 71 -19.437 -1.072 4.431 515 HA GLN 71 HA GLN 71 -19.358 1.852 4.140 516 HB2 GLN 71 1HB GLN 71 -17.913 0.563 5.872 517 HB3 GLN 71 2HB GLN 71 -16.929 0.122 4.483 518 HG2 GLN 71 1HG GLN 71 -17.193 2.820 4.162 519 HG3 GLN 71 2HG GLN 71 -17.132 2.654 5.917 520 HE21 GLN 71 2HE2 GLN 71 -15.402 2.341 2.946 521 HE22 GLN 71 1HE2 GLN 71 -13.845 2.053 3.636 522 H ARG 72 H ARG 72 -18.625 2.793 2.303 523 HA ARG 72 HA ARG 72 -17.788 0.994 0.123 524 HB2 ARG 72 1HB ARG 72 -19.982 1.805 -0.392 525 HB3 ARG 72 2HB ARG 72 -19.533 3.454 0.023 526 HG2 ARG 72 1HG ARG 72 -18.189 3.676 -1.908 527 HG3 ARG 72 2HG ARG 72 -18.260 1.944 -2.240 528 HD2 ARG 72 1HD ARG 72 -19.732 3.125 -3.749 529 HD3 ARG 72 2HD ARG 72 -20.684 2.145 -2.633 530 HE ARG 72 HE ARG 72 -21.579 4.067 -1.751 531 HH11 ARG 72 1HH1 ARG 72 -18.841 4.867 -3.746 532 HH12 ARG 72 2HH1 ARG 72 -19.143 6.572 -3.704 533 HH21 ARG 72 1HH2 ARG 72 -21.988 6.310 -1.688 534 HH22 ARG 72 2HH2 ARG 72 -20.933 7.392 -2.532 535 H ALA 73 H ALA 73 -15.954 1.481 -0.934 536 HA ALA 73 HA ALA 73 -14.852 4.154 -0.894 537 HB1 ALA 73 1HB ALA 73 -13.296 1.905 0.376 538 HB2 ALA 73 2HB ALA 73 -12.760 3.572 0.161 539 HB3 ALA 73 3HB ALA 73 -14.094 3.209 1.256 540 H LYS 74 H LYS 74 -12.805 4.272 -2.168 541 HA LYS 74 HA LYS 74 -13.018 2.492 -4.472 542 HB2 LYS 74 1HB LYS 74 -12.022 4.158 -5.736 543 HB3 LYS 74 2HB LYS 74 -12.901 5.096 -4.536 544 HG2 LYS 74 1HG LYS 74 -10.702 5.072 -3.209 545 HG3 LYS 74 2HG LYS 74 -9.960 4.579 -4.733 546 HD2 LYS 74 1HD LYS 74 -11.628 7.062 -4.323 547 HD3 LYS 74 2HD LYS 74 -9.865 7.016 -4.391 548 HE2 LYS 74 1HE LYS 74 -10.301 7.544 -6.563 549 HE3 LYS 74 2HE LYS 74 -10.357 5.786 -6.685 550 HZ1 LYS 74 3HZ LYS 74 -12.849 7.150 -6.025 551 HZ2 LYS 74 1HZ LYS 74 -12.585 5.784 -6.988 552 HZ3 LYS 74 2HZ LYS 74 -12.278 7.328 -7.608 553 H LEU 75 H LEU 75 -11.455 1.101 -5.112 554 HA LEU 75 HA LEU 75 -9.079 0.891 -3.384 555 HB2 LEU 75 1HB LEU 75 -10.798 -0.993 -3.432 556 HB3 LEU 75 2HB LEU 75 -10.221 -1.322 -5.065 557 HG LEU 75 HG LEU 75 -7.942 -1.683 -4.103 558 HD11 LEU 75 1HD1 LEU 75 -8.182 -0.423 -2.049 559 HD12 LEU 75 2HD1 LEU 75 -7.786 -2.103 -1.687 560 HD13 LEU 75 3HD1 LEU 75 -9.441 -1.525 -1.491 561 HD21 LEU 75 3HD2 LEU 75 -8.887 -3.700 -4.550 562 HD22 LEU 75 1HD2 LEU 75 -10.317 -3.374 -3.570 563 HD23 LEU 75 2HD2 LEU 75 -8.802 -3.833 -2.792 564 H VAL 76 H VAL 76 -7.626 2.122 -4.506 565 HA VAL 76 HA VAL 76 -7.201 1.536 -7.346 566 HB VAL 76 HB VAL 76 -7.375 3.878 -6.915 567 HG11 VAL 76 1HG1 VAL 76 -5.975 3.204 -4.494 568 HG12 VAL 76 2HG1 VAL 76 -5.185 4.553 -5.313 569 HG13 VAL 76 3HG1 VAL 76 -6.895 4.656 -4.890 570 HG21 VAL 76 3HG2 VAL 76 -5.485 2.938 -8.405 571 HG22 VAL 76 1HG2 VAL 76 -5.444 4.643 -7.958 572 HG23 VAL 76 2HG2 VAL 76 -4.411 3.487 -7.118 573 H CYS 77 H CYS 77 -5.963 -0.253 -7.518 574 HA CYS 77 HA CYS 77 -3.356 -0.206 -6.149 575 HB2 CYS 77 1HB CYS 77 -3.458 -2.686 -6.048 576 HB3 CYS 77 2HB CYS 77 -4.714 -1.910 -5.090 577 HG CYS 77 HG CYS 77 -5.946 -2.439 -8.060 578 H SER 78 H SER 78 -1.688 -1.527 -7.261 579 HA SER 78 HA SER 78 -1.673 -0.887 -10.063 580 HB2 SER 78 1HB SER 78 0.276 -1.531 -8.042 581 HB3 SER 78 2HB SER 78 0.543 -2.531 -9.469 582 HG SER 78 HG SER 78 1.531 -0.789 -10.143 583 HA PRO 79 HA PRO 79 -2.775 -4.721 -11.886 584 HB2 PRO 79 1HB PRO 79 -0.890 -5.092 -13.804 585 HB3 PRO 79 2HB PRO 79 -2.151 -3.859 -13.923 586 HG2 PRO 79 1HG PRO 79 0.705 -3.571 -13.073 587 HG3 PRO 79 2HG PRO 79 -0.258 -2.524 -14.131 588 HD2 PRO 79 1HD PRO 79 0.208 -1.934 -11.530 589 HD3 PRO 79 2HD PRO 79 -1.293 -1.473 -12.359 590 H ASP 80 H ASP 80 0.491 -4.443 -10.679 591 HA ASP 80 HA ASP 80 1.307 -7.116 -10.955 592 HB2 ASP 80 1HB ASP 80 2.106 -4.912 -9.066 593 HB3 ASP 80 2HB ASP 80 2.821 -6.518 -8.959 594 H TYR 81 H TYR 81 -0.764 -5.543 -8.644 595 HA TYR 81 HA TYR 81 -0.884 -7.998 -7.035 596 HB2 TYR 81 1HB TYR 81 -1.342 -5.119 -6.450 597 HB3 TYR 81 2HB TYR 81 -2.330 -6.283 -5.575 598 HD1 TYR 81 HD2 TYR 81 1.183 -6.769 -6.649 599 HD2 TYR 81 HD1 TYR 81 -1.457 -6.023 -3.397 600 HE1 TYR 81 HE2 TYR 81 3.031 -7.146 -5.070 601 HE2 TYR 81 HE1 TYR 81 0.384 -6.396 -1.809 602 HH TYR 81 HH TYR 81 2.794 -7.893 -2.105 603 H ALA 82 H ALA 82 -2.265 -7.156 -9.684 604 HA ALA 82 HA ALA 82 -4.828 -8.338 -8.982 605 HB1 ALA 82 1HB ALA 82 -5.112 -5.864 -8.771 606 HB2 ALA 82 2HB ALA 82 -4.749 -5.733 -10.493 607 HB3 ALA 82 3HB ALA 82 -6.173 -6.624 -9.957 608 H TYR 83 H TYR 83 -6.145 -7.974 -11.374 609 HA TYR 83 HA TYR 83 -4.547 -9.666 -13.128 610 HB2 TYR 83 1HB TYR 83 -6.788 -9.796 -14.393 611 HB3 TYR 83 2HB TYR 83 -6.690 -10.568 -12.815 612 HD1 TYR 83 HD2 TYR 83 -7.461 -7.149 -14.134 613 HD2 TYR 83 HD1 TYR 83 -8.554 -10.304 -11.497 614 HE1 TYR 83 HE2 TYR 83 -9.401 -5.839 -13.379 615 HE2 TYR 83 HE1 TYR 83 -10.497 -9.003 -10.735 616 HH TYR 83 HH TYR 83 -11.914 -6.826 -12.133 617 H GLY 84 H GLY 84 -4.378 -6.603 -12.769 618 HA2 GLY 84 1HA GLY 84 -5.188 -5.430 -15.220 619 HA3 GLY 84 2HA GLY 84 -4.016 -4.761 -14.094 620 H SER 85 H SER 85 -2.437 -7.333 -14.339 621 HA SER 85 HA SER 85 -0.502 -6.495 -16.111 622 HB2 SER 85 1HB SER 85 -1.198 -9.176 -14.965 623 HB3 SER 85 2HB SER 85 0.070 -9.056 -16.185 624 HG SER 85 HG SER 85 0.988 -7.384 -14.770 625 H ARG 86 H ARG 86 -2.517 -9.355 -16.774 626 HA ARG 86 HA ARG 86 -2.022 -9.281 -19.558 627 HB2 ARG 86 1HB ARG 86 -3.896 -10.953 -19.670 628 HB3 ARG 86 2HB ARG 86 -2.597 -11.373 -18.562 629 HG2 ARG 86 1HG ARG 86 -4.228 -11.773 -17.097 630 HG3 ARG 86 2HG ARG 86 -4.320 -10.019 -16.933 631 HD2 ARG 86 1HD ARG 86 -6.278 -9.890 -18.040 632 HD3 ARG 86 2HD ARG 86 -5.822 -11.141 -19.196 633 HE ARG 86 HE ARG 86 -7.302 -11.490 -16.762 634 HH11 ARG 86 1HH1 ARG 86 -5.212 -13.038 -19.076 635 HH12 ARG 86 2HH1 ARG 86 -5.778 -14.635 -18.714 636 HH21 ARG 86 1HH2 ARG 86 -8.055 -13.588 -16.277 637 HH22 ARG 86 2HH2 ARG 86 -7.396 -14.947 -17.122 638 H GLY 87 H GLY 87 -4.833 -8.310 -17.607 639 HA2 GLY 87 1HA GLY 87 -6.615 -6.948 -18.091 640 HA3 GLY 87 2HA GLY 87 -5.515 -6.113 -19.177 641 H HIS 88 H HIS 88 -7.642 -5.836 -20.327 642 HA HIS 88 HA HIS 88 -7.806 -7.850 -22.412 643 HB2 HIS 88 1HB HIS 88 -9.933 -7.383 -20.404 644 HB3 HIS 88 2HB HIS 88 -10.463 -7.497 -22.080 645 HD1 HIS 88 HD1 HIS 88 -8.720 -9.727 -23.142 646 HD2 HIS 88 HD2 HIS 88 -10.493 -9.828 -19.386 647 HE1 HIS 88 HE1 HIS 88 -8.854 -12.162 -22.527 648 HA PRO 89 HA PRO 89 -8.459 -4.376 -25.010 649 HB2 PRO 89 1HB PRO 89 -10.008 -5.440 -26.969 650 HB3 PRO 89 2HB PRO 89 -8.290 -5.817 -26.792 651 HG2 PRO 89 1HG PRO 89 -10.676 -7.395 -25.910 652 HG3 PRO 89 2HG PRO 89 -9.188 -7.960 -26.691 653 HD2 PRO 89 1HD PRO 89 -9.610 -8.184 -24.026 654 HD3 PRO 89 2HD PRO 89 -7.995 -7.936 -24.719 655 H GLY 90 H GLY 90 -9.678 -2.710 -24.359 656 HA2 GLY 90 1HA GLY 90 -11.572 -1.378 -24.257 657 HA3 GLY 90 2HA GLY 90 -12.515 -2.731 -24.861 658 H VAL 91 H VAL 91 -10.631 -3.668 -22.247 659 HA VAL 91 HA VAL 91 -12.804 -3.118 -20.338 660 HB VAL 91 HB VAL 91 -11.289 -5.725 -20.487 661 HG11 VAL 91 1HG1 VAL 91 -12.675 -6.499 -18.773 662 HG12 VAL 91 2HG1 VAL 91 -12.252 -4.861 -18.272 663 HG13 VAL 91 3HG1 VAL 91 -13.831 -5.185 -18.988 664 HG21 VAL 91 3HG2 VAL 91 -12.605 -6.037 -22.306 665 HG22 VAL 91 1HG2 VAL 91 -13.807 -6.424 -21.074 666 HG23 VAL 91 2HG2 VAL 91 -13.777 -4.819 -21.804 667 H ILE 92 H ILE 92 -9.509 -4.488 -20.463 668 HA ILE 92 HA ILE 92 -8.765 -2.674 -18.272 669 HB ILE 92 HB ILE 92 -8.015 -5.594 -18.453 670 HG12 ILE 92 1HG1 ILE 92 -9.667 -4.110 -16.397 671 HG13 ILE 92 2HG1 ILE 92 -10.318 -5.164 -17.648 672 HG21 ILE 92 1HG2 ILE 92 -6.200 -4.104 -17.633 673 HG22 ILE 92 2HG2 ILE 92 -7.270 -3.592 -16.329 674 HG23 ILE 92 3HG2 ILE 92 -6.755 -5.275 -16.438 675 HD11 ILE 92 3HD1 ILE 92 -8.375 -6.087 -15.551 676 HD12 ILE 92 1HD1 ILE 92 -10.127 -6.184 -15.376 677 HD13 ILE 92 2HD1 ILE 92 -9.319 -7.077 -16.665 678 HA PRO 93 HA PRO 93 -5.432 -1.678 -20.999 679 HB2 PRO 93 1HB PRO 93 -3.911 -0.306 -19.216 680 HB3 PRO 93 2HB PRO 93 -5.384 0.357 -19.933 681 HG2 PRO 93 1HG PRO 93 -4.989 -0.909 -17.250 682 HG3 PRO 93 2HG PRO 93 -5.913 0.542 -17.676 683 HD2 PRO 93 1HD PRO 93 -7.087 -1.861 -17.254 684 HD3 PRO 93 2HD PRO 93 -7.727 -0.676 -18.411 685 HA PRO 94 HA PRO 94 -2.247 -4.647 -20.363 686 HB2 PRO 94 1HB PRO 94 -0.143 -3.422 -21.565 687 HB3 PRO 94 2HB PRO 94 -1.496 -4.115 -22.468 688 HG2 PRO 94 1HG PRO 94 -0.987 -1.264 -21.709 689 HG3 PRO 94 2HG PRO 94 -1.566 -1.926 -23.249 690 HD2 PRO 94 1HD PRO 94 -3.228 -0.812 -21.425 691 HD3 PRO 94 2HD PRO 94 -3.730 -2.144 -22.486 692 H ASN 95 H ASN 95 -1.827 -4.771 -18.185 693 HA ASN 95 HA ASN 95 -0.831 -4.381 -16.167 694 HB2 ASN 95 1HB ASN 95 1.577 -3.382 -17.652 695 HB3 ASN 95 2HB ASN 95 1.499 -4.419 -16.231 696 HD21 ASN 95 2HD2 ASN 95 1.090 -4.279 -19.698 697 HD22 ASN 95 1HD2 ASN 95 1.243 -5.977 -19.978 698 H ALA 96 H ALA 96 -2.452 -2.441 -16.285 699 HA ALA 96 HA ALA 96 -0.902 -0.013 -15.677 700 HB1 ALA 96 1HB ALA 96 -3.621 0.444 -16.679 701 HB2 ALA 96 2HB ALA 96 -2.118 1.295 -17.037 702 HB3 ALA 96 3HB ALA 96 -2.495 -0.215 -17.866 703 H THR 97 H THR 97 -1.756 1.336 -14.048 704 HA THR 97 HA THR 97 -2.828 0.065 -11.829 705 HB THR 97 HB THR 97 -3.146 3.014 -12.393 706 HG1 THR 97 HG1 THR 97 -0.895 1.725 -11.215 707 HG21 THR 97 3HG2 THR 97 -2.955 3.228 -9.969 708 HG22 THR 97 1HG2 THR 97 -2.770 1.482 -9.816 709 HG23 THR 97 2HG2 THR 97 -4.292 2.160 -10.393 710 H LEU 98 H LEU 98 -4.854 -0.150 -10.962 711 HA LEU 98 HA LEU 98 -7.122 0.842 -12.544 712 HB2 LEU 98 1HB LEU 98 -7.081 -1.892 -11.298 713 HB3 LEU 98 2HB LEU 98 -8.253 -1.231 -12.437 714 HG LEU 98 HG LEU 98 -5.384 -1.888 -13.102 715 HD11 LEU 98 1HD1 LEU 98 -7.897 -3.404 -13.787 716 HD12 LEU 98 2HD1 LEU 98 -6.722 -3.886 -12.564 717 HD13 LEU 98 3HD1 LEU 98 -6.250 -3.819 -14.262 718 HD21 LEU 98 3HD2 LEU 98 -6.789 -0.080 -14.381 719 HD22 LEU 98 1HD2 LEU 98 -7.559 -1.494 -15.101 720 HD23 LEU 98 2HD2 LEU 98 -5.819 -1.259 -15.265 721 H THR 99 H THR 99 -9.014 1.276 -11.383 722 HA THR 99 HA THR 99 -8.758 1.173 -8.450 723 HB THR 99 HB THR 99 -9.916 3.460 -10.056 724 HG1 THR 99 HG1 THR 99 -7.772 3.788 -10.108 725 HG21 THR 99 3HG2 THR 99 -10.945 4.130 -8.198 726 HG22 THR 99 1HG2 THR 99 -9.431 4.059 -7.299 727 HG23 THR 99 2HG2 THR 99 -10.457 2.629 -7.412 728 H PHE 100 H PHE 100 -10.160 -0.428 -7.967 729 HA PHE 100 HA PHE 100 -12.833 -0.361 -9.181 730 HB2 PHE 100 1HB PHE 100 -11.430 -2.564 -7.654 731 HB3 PHE 100 2HB PHE 100 -13.057 -2.675 -8.317 732 HD1 PHE 100 HD1 PHE 100 -9.483 -2.506 -9.129 733 HD2 PHE 100 HD2 PHE 100 -13.424 -3.011 -10.657 734 HE1 PHE 100 HE1 PHE 100 -8.551 -3.292 -11.266 735 HE2 PHE 100 HE2 PHE 100 -12.498 -3.798 -12.796 736 HZ PHE 100 HZ PHE 100 -10.058 -3.940 -13.102 737 H ASP 101 H ASP 101 -14.502 0.348 -8.038 738 HA ASP 101 HA ASP 101 -14.178 1.155 -5.308 739 HB2 ASP 101 1HB ASP 101 -15.983 1.717 -7.444 740 HB3 ASP 101 2HB ASP 101 -16.927 1.188 -6.055 741 H VAL 102 H VAL 102 -14.324 -0.166 -3.631 742 HA VAL 102 HA VAL 102 -16.002 -2.572 -3.857 743 HB VAL 102 HB VAL 102 -13.730 -1.989 -1.953 744 HG11 VAL 102 1HG1 VAL 102 -14.359 -4.732 -2.005 745 HG12 VAL 102 2HG1 VAL 102 -14.553 -3.601 -0.665 746 HG13 VAL 102 3HG1 VAL 102 -15.882 -3.870 -1.793 747 HG21 VAL 102 3HG2 VAL 102 -13.923 -3.837 -4.330 748 HG22 VAL 102 1HG2 VAL 102 -12.934 -2.382 -4.201 749 HG23 VAL 102 2HG2 VAL 102 -12.574 -3.786 -3.196 750 H GLU 103 H GLU 103 -17.743 -2.821 -2.598 751 HA GLU 103 HA GLU 103 -18.075 -1.013 -0.299 752 HB2 GLU 103 1HB GLU 103 -19.466 -0.141 -2.061 753 HB3 GLU 103 2HB GLU 103 -20.128 -1.736 -2.392 754 HG2 GLU 103 1HG GLU 103 -21.262 -1.758 -0.269 755 HG3 GLU 103 2HG GLU 103 -20.514 -0.227 0.182 756 H LEU 104 H LEU 104 -18.074 -2.221 1.473 757 HA LEU 104 HA LEU 104 -18.572 -4.997 1.519 758 HB2 LEU 104 1HB LEU 104 -17.335 -3.347 3.188 759 HB3 LEU 104 2HB LEU 104 -18.903 -3.382 3.991 760 HG LEU 104 HG LEU 104 -17.573 -4.995 5.077 761 HD11 LEU 104 1HD1 LEU 104 -19.924 -5.653 4.237 762 HD12 LEU 104 2HD1 LEU 104 -18.863 -6.909 4.874 763 HD13 LEU 104 3HD1 LEU 104 -19.056 -6.718 3.131 764 HD21 LEU 104 3HD2 LEU 104 -15.832 -5.965 4.103 765 HD22 LEU 104 1HD2 LEU 104 -16.293 -5.216 2.574 766 HD23 LEU 104 2HD2 LEU 104 -16.898 -6.821 2.987 767 H LEU 105 H LEU 105 -20.384 -6.149 1.786 768 HA LEU 105 HA LEU 105 -22.873 -4.671 2.328 769 HB2 LEU 105 1HB LEU 105 -22.182 -6.849 0.454 770 HB3 LEU 105 2HB LEU 105 -23.760 -6.955 1.232 771 HG LEU 105 HG LEU 105 -23.964 -5.910 -0.939 772 HD11 LEU 105 1HD1 LEU 105 -24.755 -4.709 1.529 773 HD12 LEU 105 2HD1 LEU 105 -25.603 -4.740 -0.017 774 HD13 LEU 105 3HD1 LEU 105 -24.455 -3.448 0.334 775 HD21 LEU 105 3HD2 LEU 105 -21.823 -4.091 0.112 776 HD22 LEU 105 1HD2 LEU 105 -22.911 -3.583 -1.180 777 HD23 LEU 105 2HD2 LEU 105 -21.871 -4.990 -1.405 778 H ARG 106 H ARG 106 -20.997 -7.545 3.064 779 HA ARG 106 HA ARG 106 -22.125 -7.763 5.662 780 HB2 ARG 106 1HB ARG 106 -23.142 -10.013 5.377 781 HB3 ARG 106 2HB ARG 106 -24.007 -8.745 4.519 782 HG2 ARG 106 1HG ARG 106 -22.900 -9.427 2.433 783 HG3 ARG 106 2HG ARG 106 -22.097 -10.731 3.309 784 HD2 ARG 106 1HD ARG 106 -25.057 -10.524 3.494 785 HD3 ARG 106 2HD ARG 106 -24.358 -11.117 1.988 786 HE ARG 106 HE ARG 106 -23.174 -12.505 4.103 787 HH11 ARG 106 1HH1 ARG 106 -26.285 -12.167 2.578 788 HH12 ARG 106 2HH1 ARG 106 -26.802 -13.770 2.983 789 HH21 ARG 106 1HH2 ARG 106 -23.844 -14.617 4.643 790 HH22 ARG 106 2HH2 ARG 106 -25.414 -15.163 4.158 791 H VAL 107 H VAL 107 -21.168 -9.514 6.910 792 HA VAL 107 HA VAL 107 -18.735 -10.627 5.676 793 HB VAL 107 HB VAL 107 -18.057 -8.770 7.084 794 HG11 VAL 107 1HG1 VAL 107 -18.467 -9.003 9.592 795 HG12 VAL 107 2HG1 VAL 107 -19.827 -8.479 8.597 796 HG13 VAL 107 3HG1 VAL 107 -19.735 -10.149 9.158 797 HG21 VAL 107 3HG2 VAL 107 -16.537 -9.958 8.599 798 HG22 VAL 107 1HG2 VAL 107 -17.475 -11.435 8.374 799 HG23 VAL 107 2HG2 VAL 107 -16.605 -10.726 7.013 800 H GLU 108 H GLU 108 -18.114 -12.671 6.338 801 HA GLU 108 HA GLU 108 -19.750 -14.035 8.340 802 HB2 GLU 108 1HB GLU 108 -19.510 -14.812 5.447 803 HB3 GLU 108 2HB GLU 108 -19.826 -16.023 6.681 804 HG2 GLU 108 1HG GLU 108 -21.562 -13.654 6.770 805 HG3 GLU 108 2HG GLU 108 -21.739 -14.677 5.345 Start of MODEL 7 1 H1 MET 1 H MET 1 2.608 -0.810 0.968 2 HA MET 1 HA MET 1 1.623 0.572 -1.045 3 HB2 MET 1 1HB MET 1 3.755 0.304 -2.299 4 HB3 MET 1 2HB MET 1 3.987 0.628 -0.586 5 HG2 MET 1 1HG MET 1 4.255 -1.857 -0.273 6 HG3 MET 1 2HG MET 1 4.310 -1.983 -2.030 7 HE1 MET 1 3HE MET 1 6.754 -3.256 -0.812 8 HE2 MET 1 1HE MET 1 6.546 -2.881 -2.523 9 HE3 MET 1 2HE MET 1 8.043 -2.442 -1.701 10 H GLY 2 H GLY 2 1.216 0.367 -3.292 11 HA2 GLY 2 1HA GLY 2 1.008 -0.954 -5.286 12 HA3 GLY 2 2HA GLY 2 0.882 -2.387 -4.277 13 H VAL 3 H VAL 3 -0.988 -0.665 -2.519 14 HA VAL 3 HA VAL 3 -3.339 -0.497 -4.226 15 HB VAL 3 HB VAL 3 -3.432 -2.814 -3.559 16 HG11 VAL 3 1HG1 VAL 3 -2.610 -3.536 -1.629 17 HG12 VAL 3 2HG1 VAL 3 -2.268 -1.867 -1.168 18 HG13 VAL 3 3HG1 VAL 3 -3.813 -2.603 -0.740 19 HG21 VAL 3 3HG2 VAL 3 -5.482 -1.188 -3.420 20 HG22 VAL 3 1HG2 VAL 3 -5.621 -2.854 -2.856 21 HG23 VAL 3 2HG2 VAL 3 -5.387 -1.547 -1.695 22 H GLN 4 H GLN 4 -4.465 1.251 -3.692 23 HA GLN 4 HA GLN 4 -4.200 2.303 -0.952 24 HB2 GLN 4 1HB GLN 4 -3.531 3.546 -3.358 25 HB3 GLN 4 2HB GLN 4 -5.071 4.264 -2.906 26 HG2 GLN 4 1HG GLN 4 -3.109 5.513 -2.077 27 HG3 GLN 4 2HG GLN 4 -4.197 4.975 -0.799 28 HE21 GLN 4 2HE2 GLN 4 -1.611 3.352 -2.601 29 HE22 GLN 4 1HE2 GLN 4 -0.701 2.883 -1.210 30 H VAL 5 H VAL 5 -6.018 2.920 0.136 31 HA VAL 5 HA VAL 5 -8.590 2.435 -1.225 32 HB VAL 5 HB VAL 5 -8.215 0.698 0.413 33 HG11 VAL 5 1HG1 VAL 5 -7.993 2.832 2.525 34 HG12 VAL 5 2HG1 VAL 5 -7.750 1.094 2.710 35 HG13 VAL 5 3HG1 VAL 5 -6.597 2.053 1.781 36 HG21 VAL 5 3HG2 VAL 5 -10.097 2.132 2.068 37 HG22 VAL 5 1HG2 VAL 5 -10.424 2.395 0.355 38 HG23 VAL 5 2HG2 VAL 5 -10.363 0.754 0.999 39 H VAL 6 H VAL 6 -9.837 4.167 -1.401 40 HA VAL 6 HA VAL 6 -9.460 6.376 0.515 41 HB VAL 6 HB VAL 6 -10.610 6.686 -2.250 42 HG11 VAL 6 1HG1 VAL 6 -9.179 8.772 -0.653 43 HG12 VAL 6 2HG1 VAL 6 -10.386 8.969 -1.926 44 HG13 VAL 6 3HG1 VAL 6 -10.873 8.404 -0.327 45 HG21 VAL 6 3HG2 VAL 6 -8.486 5.901 -2.779 46 HG22 VAL 6 1HG2 VAL 6 -8.264 7.650 -2.738 47 HG23 VAL 6 2HG2 VAL 6 -7.745 6.663 -1.372 48 H THR 7 H THR 7 -11.052 6.373 1.959 49 HA THR 7 HA THR 7 -13.521 5.106 1.708 50 HB THR 7 HB THR 7 -13.070 7.527 3.450 51 HG1 THR 7 HG1 THR 7 -12.510 4.933 4.367 52 HG21 THR 7 3HG2 THR 7 -15.345 6.340 3.219 53 HG22 THR 7 1HG2 THR 7 -14.723 6.631 4.843 54 HG23 THR 7 2HG2 THR 7 -14.592 5.027 4.123 55 H LEU 8 H LEU 8 -15.524 5.730 1.044 56 HA LEU 8 HA LEU 8 -15.781 8.436 -0.091 57 HB2 LEU 8 1HB LEU 8 -17.035 5.940 -1.215 58 HB3 LEU 8 2HB LEU 8 -17.076 7.559 -1.911 59 HG LEU 8 HG LEU 8 -14.420 6.279 -1.526 60 HD11 LEU 8 1HD1 LEU 8 -15.895 4.510 -2.479 61 HD12 LEU 8 2HD1 LEU 8 -14.576 5.005 -3.539 62 HD13 LEU 8 3HD1 LEU 8 -16.214 5.582 -3.842 63 HD21 LEU 8 3HD2 LEU 8 -15.663 8.052 -3.624 64 HD22 LEU 8 1HD2 LEU 8 -14.006 7.448 -3.672 65 HD23 LEU 8 2HD2 LEU 8 -14.514 8.528 -2.373 66 H ALA 9 H ALA 9 -17.424 5.671 1.359 67 HA ALA 9 HA ALA 9 -19.421 7.509 2.458 68 HB1 ALA 9 1HB ALA 9 -19.956 5.628 0.388 69 HB2 ALA 9 2HB ALA 9 -20.793 5.112 1.853 70 HB3 ALA 9 3HB ALA 9 -21.071 6.727 1.200 71 H ALA 10 H ALA 10 -18.716 7.324 4.534 72 HA ALA 10 HA ALA 10 -17.711 5.103 5.825 73 HB1 ALA 10 1HB ALA 10 -18.925 6.314 7.884 74 HB2 ALA 10 2HB ALA 10 -17.442 6.919 7.145 75 HB3 ALA 10 3HB ALA 10 -18.998 7.615 6.695 76 H GLY 11 H GLY 11 -18.544 3.363 6.894 77 HA2 GLY 11 1HA GLY 11 -21.471 2.995 6.692 78 HA3 GLY 11 2HA GLY 11 -20.315 1.690 6.465 79 H ASP 12 H ASP 12 -20.248 0.345 8.122 80 HA ASP 12 HA ASP 12 -21.259 1.101 10.705 81 HB2 ASP 12 1HB ASP 12 -21.374 -1.215 9.477 82 HB3 ASP 12 2HB ASP 12 -19.793 -1.465 10.212 83 H GLU 13 H GLU 13 -18.098 0.419 9.297 84 HA GLU 13 HA GLU 13 -15.976 0.657 10.094 85 HB2 GLU 13 1HB GLU 13 -17.162 2.842 11.807 86 HB3 GLU 13 2HB GLU 13 -15.501 2.710 11.244 87 HG2 GLU 13 1HG GLU 13 -16.496 2.844 8.887 88 HG3 GLU 13 2HG GLU 13 -17.959 3.416 9.688 89 H ALA 14 H ALA 14 -17.742 -1.189 11.512 90 HA ALA 14 HA ALA 14 -16.244 -1.306 14.036 91 HB1 ALA 14 1HB ALA 14 -18.991 -0.739 13.850 92 HB2 ALA 14 2HB ALA 14 -18.861 -2.401 14.426 93 HB3 ALA 14 3HB ALA 14 -18.055 -1.100 15.301 94 H THR 15 H THR 15 -18.219 -3.017 11.654 95 HA THR 15 HA THR 15 -17.095 -5.572 12.555 96 HB THR 15 HB THR 15 -19.169 -5.344 10.401 97 HG1 THR 15 HG1 THR 15 -19.655 -4.141 12.514 98 HG21 THR 15 3HG2 THR 15 -19.085 -7.391 12.574 99 HG22 THR 15 1HG2 THR 15 -17.933 -7.497 11.243 100 HG23 THR 15 2HG2 THR 15 -19.666 -7.538 10.916 101 H TYR 16 H TYR 16 -15.228 -6.082 11.615 102 HA TYR 16 HA TYR 16 -14.902 -5.505 8.744 103 HB2 TYR 16 1HB TYR 16 -12.782 -5.801 10.882 104 HB3 TYR 16 2HB TYR 16 -12.461 -5.550 9.169 105 HD1 TYR 16 HD1 TYR 16 -14.148 -3.991 12.099 106 HD2 TYR 16 HD2 TYR 16 -12.311 -3.385 8.309 107 HE1 TYR 16 HE1 TYR 16 -14.256 -1.558 12.443 108 HE2 TYR 16 HE2 TYR 16 -12.413 -0.950 8.643 109 HH TYR 16 HH TYR 16 -12.818 0.690 10.125 110 HA PRO 17 HA PRO 17 -14.601 -9.797 7.874 111 HB2 PRO 17 1HB PRO 17 -12.836 -9.788 5.811 112 HB3 PRO 17 2HB PRO 17 -14.501 -9.215 5.654 113 HG2 PRO 17 1HG PRO 17 -11.985 -7.641 6.044 114 HG3 PRO 17 2HG PRO 17 -13.352 -7.315 4.962 115 HD2 PRO 17 1HD PRO 17 -13.038 -6.047 7.334 116 HD3 PRO 17 2HD PRO 17 -14.635 -6.411 6.649 117 H LYS 18 H LYS 18 -13.593 -11.320 9.008 118 HA LYS 18 HA LYS 18 -10.970 -10.896 10.100 119 HB2 LYS 18 1HB LYS 18 -13.025 -12.186 11.103 120 HB3 LYS 18 2HB LYS 18 -12.372 -13.541 10.192 121 HG2 LYS 18 1HG LYS 18 -10.299 -13.425 11.395 122 HG3 LYS 18 2HG LYS 18 -10.812 -11.947 12.213 123 HD2 LYS 18 1HD LYS 18 -12.321 -14.540 12.449 124 HD3 LYS 18 2HD LYS 18 -11.002 -14.105 13.539 125 HE2 LYS 18 1HE LYS 18 -12.381 -11.879 13.786 126 HE3 LYS 18 2HE LYS 18 -13.715 -12.900 13.251 127 HZ1 LYS 18 3HZ LYS 18 -11.949 -13.584 15.534 128 HZ2 LYS 18 1HZ LYS 18 -13.397 -14.338 15.092 129 HZ3 LYS 18 2HZ LYS 18 -13.418 -12.763 15.705 130 H ALA 19 H ALA 19 -9.072 -11.917 9.583 131 HA ALA 19 HA ALA 19 -8.594 -12.626 6.933 132 HB1 ALA 19 1HB ALA 19 -7.007 -12.037 9.004 133 HB2 ALA 19 2HB ALA 19 -6.799 -13.789 8.973 134 HB3 ALA 19 3HB ALA 19 -6.424 -12.831 7.541 135 H GLY 20 H GLY 20 -9.405 -14.315 5.876 136 HA2 GLY 20 1HA GLY 20 -9.316 -16.663 5.422 137 HA3 GLY 20 2HA GLY 20 -9.241 -16.959 7.152 138 H GLN 21 H GLN 21 -11.497 -14.621 6.790 139 HA GLN 21 HA GLN 21 -13.666 -16.591 6.861 140 HB2 GLN 21 1HB GLN 21 -13.098 -14.184 8.317 141 HB3 GLN 21 2HB GLN 21 -14.644 -14.015 7.496 142 HG2 GLN 21 1HG GLN 21 -14.992 -16.449 8.515 143 HG3 GLN 21 2HG GLN 21 -13.848 -15.818 9.699 144 HE21 GLN 21 2HE2 GLN 21 -14.574 -13.191 9.828 145 HE22 GLN 21 1HE2 GLN 21 -16.173 -13.055 10.467 146 H VAL 22 H VAL 22 -15.748 -15.957 5.863 147 HA VAL 22 HA VAL 22 -15.292 -15.066 3.154 148 HB VAL 22 HB VAL 22 -17.920 -15.837 4.423 149 HG11 VAL 22 1HG1 VAL 22 -18.300 -16.533 1.951 150 HG12 VAL 22 2HG1 VAL 22 -18.438 -14.832 2.402 151 HG13 VAL 22 3HG1 VAL 22 -16.972 -15.422 1.617 152 HG21 VAL 22 3HG2 VAL 22 -16.638 -17.743 4.770 153 HG22 VAL 22 1HG2 VAL 22 -17.390 -18.055 3.205 154 HG23 VAL 22 2HG2 VAL 22 -15.713 -17.513 3.286 155 H ALA 23 H ALA 23 -16.071 -13.236 2.189 156 HA ALA 23 HA ALA 23 -17.634 -11.359 3.807 157 HB1 ALA 23 1HB ALA 23 -15.399 -10.627 4.200 158 HB2 ALA 23 2HB ALA 23 -15.004 -10.722 2.484 159 HB3 ALA 23 3HB ALA 23 -16.136 -9.499 3.062 160 H VAL 24 H VAL 24 -19.123 -10.232 2.674 161 HA VAL 24 HA VAL 24 -19.151 -10.621 -0.247 162 HB VAL 24 HB VAL 24 -21.535 -10.001 1.495 163 HG11 VAL 24 1HG1 VAL 24 -21.797 -11.363 -1.110 164 HG12 VAL 24 2HG1 VAL 24 -22.807 -10.119 -0.370 165 HG13 VAL 24 3HG1 VAL 24 -21.295 -9.674 -1.162 166 HG21 VAL 24 3HG2 VAL 24 -21.432 -12.104 2.226 167 HG22 VAL 24 1HG2 VAL 24 -21.780 -12.610 0.572 168 HG23 VAL 24 2HG2 VAL 24 -20.109 -12.493 1.126 169 H VAL 25 H VAL 25 -18.840 -8.882 -1.458 170 HA VAL 25 HA VAL 25 -19.818 -6.282 -0.565 171 HB VAL 25 HB VAL 25 -17.804 -5.131 -0.704 172 HG11 VAL 25 1HG1 VAL 25 -17.964 -6.709 1.252 173 HG12 VAL 25 2HG1 VAL 25 -16.869 -7.780 0.376 174 HG13 VAL 25 3HG1 VAL 25 -16.337 -6.165 0.846 175 HG21 VAL 25 3HG2 VAL 25 -15.703 -6.519 -1.527 176 HG22 VAL 25 1HG2 VAL 25 -16.947 -7.409 -2.406 177 HG23 VAL 25 2HG2 VAL 25 -16.758 -5.674 -2.659 178 H HIS 26 H HIS 26 -19.613 -4.625 -2.321 179 HA HIS 26 HA HIS 26 -20.086 -5.910 -4.923 180 HB2 HIS 26 1HB HIS 26 -21.310 -3.631 -3.513 181 HB3 HIS 26 2HB HIS 26 -21.006 -3.358 -5.226 182 HD1 HIS 26 HD1 HIS 26 -22.878 -4.034 -6.680 183 HD2 HIS 26 HD2 HIS 26 -22.788 -6.246 -3.165 184 HE1 HIS 26 HE1 HIS 26 -24.885 -5.546 -6.786 185 H TYR 27 H TYR 27 -18.693 -5.593 -6.527 186 HA TYR 27 HA TYR 27 -16.621 -3.543 -6.186 187 HB2 TYR 27 1HB TYR 27 -15.301 -4.834 -7.779 188 HB3 TYR 27 2HB TYR 27 -15.851 -5.870 -6.466 189 HD1 TYR 27 HD2 TYR 27 -16.471 -4.954 -10.000 190 HD2 TYR 27 HD1 TYR 27 -17.187 -7.773 -6.895 191 HE1 TYR 27 HE2 TYR 27 -17.442 -6.507 -11.642 192 HE2 TYR 27 HE1 TYR 27 -18.158 -9.335 -8.529 193 HH TYR 27 HH TYR 27 -19.294 -9.115 -10.834 194 H THR 28 H THR 28 -16.204 -2.014 -7.733 195 HA THR 28 HA THR 28 -17.930 -1.969 -10.111 196 HB THR 28 HB THR 28 -17.524 0.322 -8.182 197 HG1 THR 28 HG1 THR 28 -19.251 -0.905 -7.555 198 HG21 THR 28 3HG2 THR 28 -19.318 1.127 -10.142 199 HG22 THR 28 1HG2 THR 28 -18.020 0.344 -11.041 200 HG23 THR 28 2HG2 THR 28 -17.655 1.682 -9.951 201 H GLY 29 H GLY 29 -16.803 -1.642 -11.914 202 HA2 GLY 29 1HA GLY 29 -14.008 -1.230 -11.896 203 HA3 GLY 29 2HA GLY 29 -15.045 -1.171 -13.314 204 H THR 30 H THR 30 -12.744 0.522 -12.349 205 HA THR 30 HA THR 30 -13.763 3.019 -13.247 206 HB THR 30 HB THR 30 -12.701 3.739 -10.694 207 HG1 THR 30 HG1 THR 30 -13.818 2.539 -9.326 208 HG21 THR 30 3HG2 THR 30 -15.577 3.972 -11.524 209 HG22 THR 30 1HG2 THR 30 -14.320 4.932 -12.302 210 HG23 THR 30 2HG2 THR 30 -14.607 5.092 -10.569 211 H LEU 31 H LEU 31 -12.139 4.406 -13.860 212 HA LEU 31 HA LEU 31 -9.425 3.327 -13.651 213 HB2 LEU 31 1HB LEU 31 -10.775 5.223 -15.534 214 HB3 LEU 31 2HB LEU 31 -9.017 5.176 -15.417 215 HG LEU 31 HG LEU 31 -10.803 2.879 -16.218 216 HD11 LEU 31 1HD1 LEU 31 -10.438 4.854 -17.821 217 HD12 LEU 31 2HD1 LEU 31 -10.125 3.224 -18.416 218 HD13 LEU 31 3HD1 LEU 31 -8.781 4.262 -17.942 219 HD21 LEU 31 3HD2 LEU 31 -8.252 2.228 -16.936 220 HD22 LEU 31 1HD2 LEU 31 -9.083 1.642 -15.494 221 HD23 LEU 31 2HD2 LEU 31 -8.002 3.032 -15.385 222 H ALA 32 H ALA 32 -7.630 4.837 -13.335 223 HA ALA 32 HA ALA 32 -7.908 6.366 -11.013 224 HB1 ALA 32 1HB ALA 32 -5.728 5.880 -11.195 225 HB2 ALA 32 2HB ALA 32 -5.784 5.828 -12.958 226 HB3 ALA 32 3HB ALA 32 -5.639 7.376 -12.126 227 H ASP 33 H ASP 33 -8.529 7.162 -14.296 228 HA ASP 33 HA ASP 33 -8.330 10.025 -13.900 229 HB2 ASP 33 1HB ASP 33 -7.747 9.042 -16.077 230 HB3 ASP 33 2HB ASP 33 -9.393 8.440 -16.248 231 H GLY 34 H GLY 34 -10.643 7.606 -13.370 232 HA2 GLY 34 1HA GLY 34 -12.609 8.243 -12.083 233 HA3 GLY 34 2HA GLY 34 -12.735 9.671 -13.100 234 H LYS 35 H LYS 35 -11.971 7.704 -15.388 235 HA LYS 35 HA LYS 35 -14.468 7.443 -16.532 236 HB2 LYS 35 1HB LYS 35 -12.011 7.028 -17.446 237 HB3 LYS 35 2HB LYS 35 -12.427 5.350 -17.123 238 HG2 LYS 35 1HG LYS 35 -13.153 5.462 -19.258 239 HG3 LYS 35 2HG LYS 35 -14.615 6.056 -18.468 240 HD2 LYS 35 1HD LYS 35 -12.512 8.028 -19.202 241 HD3 LYS 35 2HD LYS 35 -13.503 7.347 -20.494 242 HE2 LYS 35 1HE LYS 35 -15.467 7.951 -18.849 243 HE3 LYS 35 2HE LYS 35 -14.286 9.092 -18.209 244 HZ1 LYS 35 3HZ LYS 35 -15.541 10.201 -19.870 245 HZ2 LYS 35 1HZ LYS 35 -15.320 8.947 -20.984 246 HZ3 LYS 35 2HZ LYS 35 -14.010 9.913 -20.528 247 H VAL 36 H VAL 36 -16.184 6.360 -15.843 248 HA VAL 36 HA VAL 36 -16.027 4.234 -13.953 249 HB VAL 36 HB VAL 36 -17.952 5.853 -14.191 250 HG11 VAL 36 1HG1 VAL 36 -18.708 4.026 -16.469 251 HG12 VAL 36 2HG1 VAL 36 -19.692 5.333 -15.807 252 HG13 VAL 36 3HG1 VAL 36 -18.176 5.699 -16.631 253 HG21 VAL 36 3HG2 VAL 36 -17.880 3.216 -13.330 254 HG22 VAL 36 1HG2 VAL 36 -19.111 4.417 -12.942 255 HG23 VAL 36 2HG2 VAL 36 -19.349 3.318 -14.301 256 H PHE 37 H PHE 37 -16.416 2.050 -14.211 257 HA PHE 37 HA PHE 37 -16.541 1.054 -16.978 258 HB2 PHE 37 1HB PHE 37 -14.565 0.445 -14.845 259 HB3 PHE 37 2HB PHE 37 -15.114 -0.908 -15.829 260 HD1 PHE 37 HD1 PHE 37 -13.858 2.582 -16.215 261 HD2 PHE 37 HD2 PHE 37 -13.979 -1.379 -17.770 262 HE1 PHE 37 HE1 PHE 37 -12.271 3.230 -17.980 263 HE2 PHE 37 HE2 PHE 37 -12.392 -0.738 -19.536 264 HZ PHE 37 HZ PHE 37 -11.535 1.569 -19.643 265 H ASP 38 H ASP 38 -16.765 -1.569 -16.659 266 HA ASP 38 HA ASP 38 -19.409 -1.988 -15.912 267 HB2 ASP 38 1HB ASP 38 -17.694 -3.450 -17.302 268 HB3 ASP 38 2HB ASP 38 -17.482 -4.264 -15.755 269 H SER 39 H SER 39 -20.421 -2.395 -14.047 270 HA SER 39 HA SER 39 -18.769 -2.986 -11.678 271 HB2 SER 39 1HB SER 39 -20.190 -1.585 -10.332 272 HB3 SER 39 2HB SER 39 -19.678 -0.641 -11.730 273 HG SER 39 HG SER 39 -21.676 -0.883 -12.626 274 H SER 40 H SER 40 -19.863 -4.152 -9.962 275 HA SER 40 HA SER 40 -21.480 -6.281 -11.016 276 HB2 SER 40 1HB SER 40 -20.703 -7.440 -9.250 277 HB3 SER 40 2HB SER 40 -19.687 -6.039 -8.911 278 HG SER 40 HG SER 40 -22.130 -6.795 -7.744 279 H ARG 41 H ARG 41 -22.012 -3.375 -9.190 280 HA ARG 41 HA ARG 41 -24.545 -4.034 -8.110 281 HB2 ARG 41 1HB ARG 41 -24.801 -1.580 -7.814 282 HB3 ARG 41 2HB ARG 41 -23.280 -2.201 -7.185 283 HG2 ARG 41 1HG ARG 41 -22.482 -0.385 -8.269 284 HG3 ARG 41 2HG ARG 41 -22.450 -1.523 -9.617 285 HD2 ARG 41 1HD ARG 41 -23.583 0.137 -10.654 286 HD3 ARG 41 2HD ARG 41 -24.961 -0.625 -9.861 287 HE ARG 41 HE ARG 41 -24.053 1.202 -8.048 288 HH11 ARG 41 1HH1 ARG 41 -25.094 1.332 -11.367 289 HH12 ARG 41 2HH1 ARG 41 -25.698 2.952 -11.251 290 HH21 ARG 41 1HH2 ARG 41 -24.846 3.334 -7.881 291 HH22 ARG 41 2HH2 ARG 41 -25.556 4.090 -9.267 292 H THR 42 H THR 42 -23.498 -3.051 -11.246 293 HA THR 42 HA THR 42 -25.719 -1.813 -12.314 294 HB THR 42 HB THR 42 -23.903 -3.804 -13.688 295 HG1 THR 42 HG1 THR 42 -23.813 -0.957 -13.710 296 HG21 THR 42 3HG2 THR 42 -26.069 -2.012 -14.679 297 HG22 THR 42 1HG2 THR 42 -25.615 -3.630 -15.212 298 HG23 THR 42 2HG2 THR 42 -24.636 -2.239 -15.682 299 H ARG 43 H ARG 43 -25.123 -5.272 -11.877 300 HA ARG 43 HA ARG 43 -27.933 -5.772 -12.611 301 HB2 ARG 43 1HB ARG 43 -25.981 -6.780 -14.022 302 HB3 ARG 43 2HB ARG 43 -25.832 -7.909 -12.682 303 HG2 ARG 43 1HG ARG 43 -28.347 -8.321 -13.022 304 HG3 ARG 43 2HG ARG 43 -28.108 -7.545 -14.589 305 HD2 ARG 43 1HD ARG 43 -26.391 -9.187 -15.147 306 HD3 ARG 43 2HD ARG 43 -26.599 -9.951 -13.571 307 HE ARG 43 HE ARG 43 -29.089 -9.950 -14.761 308 HH11 ARG 43 1HH1 ARG 43 -25.937 -11.258 -15.447 309 HH12 ARG 43 2HH1 ARG 43 -26.551 -12.632 -16.306 310 HH21 ARG 43 1HH2 ARG 43 -29.910 -11.754 -15.890 311 HH22 ARG 43 2HH2 ARG 43 -28.811 -12.912 -16.558 312 H GLY 44 H GLY 44 -26.535 -5.129 -9.979 313 HA2 GLY 44 1HA GLY 44 -26.685 -5.773 -7.780 314 HA3 GLY 44 2HA GLY 44 -28.149 -6.610 -8.275 315 H LYS 45 H LYS 45 -24.789 -7.228 -9.222 316 HA LYS 45 HA LYS 45 -25.099 -9.959 -8.170 317 HB2 LYS 45 1HB LYS 45 -23.471 -8.839 -10.441 318 HB3 LYS 45 2HB LYS 45 -23.119 -10.416 -9.747 319 HG2 LYS 45 1HG LYS 45 -25.886 -9.782 -10.670 320 HG3 LYS 45 2HG LYS 45 -24.641 -10.230 -11.838 321 HD2 LYS 45 1HD LYS 45 -25.366 -12.322 -11.381 322 HD3 LYS 45 2HD LYS 45 -24.274 -12.165 -10.003 323 HE2 LYS 45 1HE LYS 45 -25.980 -11.911 -8.506 324 HE3 LYS 45 2HE LYS 45 -27.056 -11.174 -9.692 325 HZ1 LYS 45 3HZ LYS 45 -27.691 -13.457 -8.955 326 HZ2 LYS 45 1HZ LYS 45 -26.311 -14.043 -9.740 327 HZ3 LYS 45 2HZ LYS 45 -27.530 -13.279 -10.630 328 HA PRO 46 HA PRO 46 -22.077 -8.134 -5.263 329 HB2 PRO 46 1HB PRO 46 -22.767 -9.764 -3.204 330 HB3 PRO 46 2HB PRO 46 -23.646 -8.280 -3.591 331 HG2 PRO 46 1HG PRO 46 -24.315 -11.114 -4.287 332 HG3 PRO 46 2HG PRO 46 -25.383 -9.822 -3.707 333 HD2 PRO 46 1HD PRO 46 -25.233 -10.527 -6.317 334 HD3 PRO 46 2HD PRO 46 -25.563 -8.863 -5.795 335 H PHE 47 H PHE 47 -20.079 -8.886 -4.695 336 HA PHE 47 HA PHE 47 -19.436 -11.627 -5.540 337 HB2 PHE 47 1HB PHE 47 -18.284 -9.502 -6.530 338 HB3 PHE 47 2HB PHE 47 -17.366 -9.518 -5.028 339 HD1 PHE 47 HD1 PHE 47 -18.405 -11.885 -7.720 340 HD2 PHE 47 HD2 PHE 47 -15.355 -10.615 -5.036 341 HE1 PHE 47 HE1 PHE 47 -16.868 -13.547 -8.685 342 HE2 PHE 47 HE2 PHE 47 -13.813 -12.274 -5.997 343 HZ PHE 47 HZ PHE 47 -14.568 -13.742 -7.824 344 H ARG 48 H ARG 48 -19.125 -13.071 -3.992 345 HA ARG 48 HA ARG 48 -18.163 -12.136 -1.367 346 HB2 ARG 48 1HB ARG 48 -19.357 -14.091 -0.403 347 HB3 ARG 48 2HB ARG 48 -20.432 -12.930 -1.172 348 HG2 ARG 48 1HG ARG 48 -21.138 -14.409 -2.692 349 HG3 ARG 48 2HG ARG 48 -19.521 -15.066 -2.948 350 HD2 ARG 48 1HD ARG 48 -19.905 -16.077 -0.554 351 HD3 ARG 48 2HD ARG 48 -21.604 -15.851 -0.965 352 HE ARG 48 HE ARG 48 -19.868 -17.864 -1.963 353 HH11 ARG 48 1HH1 ARG 48 -22.528 -15.806 -2.862 354 HH12 ARG 48 2HH1 ARG 48 -23.127 -16.889 -4.074 355 HH21 ARG 48 1HH2 ARG 48 -20.647 -19.299 -3.556 356 HH22 ARG 48 2HH2 ARG 48 -22.056 -18.876 -4.468 357 H PHE 49 H PHE 49 -16.465 -13.172 -0.433 358 HA PHE 49 HA PHE 49 -15.532 -15.732 -1.269 359 HB2 PHE 49 1HB PHE 49 -13.394 -15.029 -2.237 360 HB3 PHE 49 2HB PHE 49 -14.743 -14.413 -3.186 361 HD1 PHE 49 HD2 PHE 49 -12.053 -13.526 -0.856 362 HD2 PHE 49 HD1 PHE 49 -15.178 -12.067 -3.350 363 HE1 PHE 49 HE2 PHE 49 -11.149 -11.247 -0.650 364 HE2 PHE 49 HE1 PHE 49 -14.279 -9.786 -3.149 365 HZ PHE 49 HZ PHE 49 -12.263 -9.373 -1.797 366 H THR 50 H THR 50 -13.331 -16.204 -0.253 367 HA THR 50 HA THR 50 -13.433 -15.290 2.491 368 HB THR 50 HB THR 50 -11.564 -17.282 1.191 369 HG1 THR 50 HG1 THR 50 -13.637 -18.003 2.941 370 HG21 THR 50 3HG2 THR 50 -11.156 -18.031 3.510 371 HG22 THR 50 1HG2 THR 50 -12.122 -16.678 4.098 372 HG23 THR 50 2HG2 THR 50 -10.615 -16.376 3.233 373 H VAL 51 H VAL 51 -12.458 -13.454 3.033 374 HA VAL 51 HA VAL 51 -10.481 -12.154 1.517 375 HB VAL 51 HB VAL 51 -10.974 -11.762 4.468 376 HG11 VAL 51 1HG1 VAL 51 -9.201 -10.403 4.082 377 HG12 VAL 51 2HG1 VAL 51 -9.534 -10.274 2.354 378 HG13 VAL 51 3HG1 VAL 51 -10.469 -9.320 3.507 379 HG21 VAL 51 3HG2 VAL 51 -12.484 -9.864 3.461 380 HG22 VAL 51 1HG2 VAL 51 -12.575 -10.963 2.085 381 HG23 VAL 51 2HG2 VAL 51 -13.114 -11.496 3.678 382 H GLY 52 H GLY 52 -8.576 -13.119 1.112 383 HA2 GLY 52 1HA GLY 52 -6.321 -13.208 2.204 384 HA3 GLY 52 2HA GLY 52 -7.091 -14.216 3.420 385 H ARG 53 H ARG 53 -8.705 -15.385 1.060 386 HA ARG 53 HA ARG 53 -6.969 -17.627 0.656 387 HB2 ARG 53 1HB ARG 53 -9.760 -16.916 -0.137 388 HB3 ARG 53 2HB ARG 53 -8.949 -18.223 -0.989 389 HG2 ARG 53 1HG ARG 53 -9.300 -18.088 1.998 390 HG3 ARG 53 2HG ARG 53 -10.346 -18.988 0.897 391 HD2 ARG 53 1HD ARG 53 -8.120 -20.080 0.108 392 HD3 ARG 53 2HD ARG 53 -7.497 -19.497 1.651 393 HE ARG 53 HE ARG 53 -8.615 -21.199 2.667 394 HH11 ARG 53 1HH1 ARG 53 -10.113 -20.582 -0.415 395 HH12 ARG 53 2HH1 ARG 53 -11.223 -21.907 -0.287 396 HH21 ARG 53 1HH2 ARG 53 -10.071 -22.946 2.846 397 HH22 ARG 53 2HH2 ARG 53 -11.198 -23.250 1.568 398 H GLY 54 H GLY 54 -6.788 -18.552 -1.650 399 HA2 GLY 54 1HA GLY 54 -5.539 -16.476 -3.278 400 HA3 GLY 54 2HA GLY 54 -5.361 -18.212 -3.487 401 H GLU 55 H GLU 55 -8.565 -17.079 -3.070 402 HA GLU 55 HA GLU 55 -9.209 -17.845 -5.787 403 HB2 GLU 55 1HB GLU 55 -10.980 -16.912 -3.521 404 HB3 GLU 55 2HB GLU 55 -11.554 -17.509 -5.071 405 HG2 GLU 55 1HG GLU 55 -10.148 -19.616 -4.463 406 HG3 GLU 55 2HG GLU 55 -10.291 -18.995 -2.820 407 H VAL 56 H VAL 56 -8.679 -14.956 -3.996 408 HA VAL 56 HA VAL 56 -9.716 -13.355 -6.244 409 HB VAL 56 HB VAL 56 -9.763 -11.456 -4.556 410 HG11 VAL 56 1HG1 VAL 56 -11.671 -13.597 -3.726 411 HG12 VAL 56 2HG1 VAL 56 -11.967 -11.885 -4.039 412 HG13 VAL 56 3HG1 VAL 56 -11.703 -12.996 -5.384 413 HG21 VAL 56 3HG2 VAL 56 -9.185 -11.774 -2.425 414 HG22 VAL 56 1HG2 VAL 56 -10.149 -13.247 -2.309 415 HG23 VAL 56 2HG2 VAL 56 -8.502 -13.318 -2.936 416 H ILE 57 H ILE 57 -8.568 -11.023 -6.032 417 HA ILE 57 HA ILE 57 -5.738 -11.595 -6.441 418 HB ILE 57 HB ILE 57 -5.651 -9.277 -7.362 419 HG12 ILE 57 1HG1 ILE 57 -8.622 -9.207 -7.495 420 HG13 ILE 57 2HG1 ILE 57 -7.878 -8.776 -5.959 421 HG21 ILE 57 1HG2 ILE 57 -6.460 -9.904 -9.436 422 HG22 ILE 57 2HG2 ILE 57 -6.234 -11.459 -8.637 423 HG23 ILE 57 3HG2 ILE 57 -7.846 -10.754 -8.754 424 HD11 ILE 57 3HD1 ILE 57 -7.625 -7.424 -8.614 425 HD12 ILE 57 1HD1 ILE 57 -8.128 -6.751 -7.064 426 HD13 ILE 57 2HD1 ILE 57 -6.437 -7.171 -7.337 427 H ARG 58 H ARG 58 -4.095 -10.145 -5.597 428 HA ARG 58 HA ARG 58 -4.140 -9.856 -2.854 429 HB2 ARG 58 1HB ARG 58 -2.527 -8.217 -4.817 430 HB3 ARG 58 2HB ARG 58 -2.170 -8.418 -3.107 431 HG2 ARG 58 1HG ARG 58 -2.371 -10.814 -4.876 432 HG3 ARG 58 2HG ARG 58 -0.903 -9.834 -4.872 433 HD2 ARG 58 1HD ARG 58 -1.158 -10.093 -2.258 434 HD3 ARG 58 2HD ARG 58 -2.071 -11.528 -2.721 435 HE ARG 58 HE ARG 58 0.344 -11.534 -4.128 436 HH11 ARG 58 1HH1 ARG 58 -0.816 -11.825 -0.858 437 HH12 ARG 58 2HH1 ARG 58 0.503 -12.823 -0.341 438 HH21 ARG 58 1HH2 ARG 58 2.085 -12.847 -3.459 439 HH22 ARG 58 2HH2 ARG 58 2.153 -13.403 -1.821 440 H GLY 59 H GLY 59 -4.830 -7.399 -5.326 441 HA2 GLY 59 1HA GLY 59 -5.145 -5.164 -3.752 442 HA3 GLY 59 2HA GLY 59 -6.085 -5.476 -5.204 443 H TRP 60 H TRP 60 -7.865 -7.242 -4.762 444 HA TRP 60 HA TRP 60 -9.779 -6.097 -3.111 445 HB2 TRP 60 1HB TRP 60 -9.515 -8.850 -4.298 446 HB3 TRP 60 2HB TRP 60 -10.891 -8.422 -3.285 447 HD1 TRP 60 HD1 TRP 60 -10.618 -5.306 -4.762 448 HE1 TRP 60 HE1 TRP 60 -11.894 -5.072 -6.986 449 HE3 TRP 60 HE3 TRP 60 -11.220 -10.259 -5.877 450 HZ2 TRP 60 HZ2 TRP 60 -13.009 -6.764 -8.951 451 HZ3 TRP 60 HZ3 TRP 60 -12.403 -10.866 -7.947 452 HH2 TRP 60 HH2 TRP 60 -13.279 -9.154 -9.451 453 H ASP 61 H ASP 61 -7.574 -8.790 -2.459 454 HA ASP 61 HA ASP 61 -8.523 -9.681 -0.041 455 HB2 ASP 61 1HB ASP 61 -6.530 -10.543 -1.382 456 HB3 ASP 61 2HB ASP 61 -5.580 -9.299 -0.574 457 H GLU 62 H GLU 62 -5.909 -7.271 -0.364 458 HA GLU 62 HA GLU 62 -6.000 -6.485 2.345 459 HB2 GLU 62 1HB GLU 62 -4.863 -5.156 -0.111 460 HB3 GLU 62 2HB GLU 62 -4.704 -4.468 1.498 461 HG2 GLU 62 1HG GLU 62 -3.646 -7.127 0.570 462 HG3 GLU 62 2HG GLU 62 -2.706 -5.677 0.915 463 H GLY 63 H GLY 63 -7.383 -5.043 -0.592 464 HA2 GLY 63 1HA GLY 63 -8.428 -2.711 0.439 465 HA3 GLY 63 2HA GLY 63 -9.176 -3.630 -0.859 466 H VAL 64 H VAL 64 -10.311 -5.719 0.065 467 HA VAL 64 HA VAL 64 -12.487 -4.818 1.612 468 HB VAL 64 HB VAL 64 -12.544 -6.722 -0.026 469 HG11 VAL 64 1HG1 VAL 64 -11.582 -8.744 0.370 470 HG12 VAL 64 2HG1 VAL 64 -10.438 -7.729 1.250 471 HG13 VAL 64 3HG1 VAL 64 -11.709 -8.587 2.122 472 HG21 VAL 64 3HG2 VAL 64 -13.595 -7.685 2.601 473 HG22 VAL 64 1HG2 VAL 64 -14.224 -6.198 1.890 474 HG23 VAL 64 2HG2 VAL 64 -14.353 -7.720 1.009 475 H ALA 65 H ALA 65 -9.522 -6.488 2.445 476 HA ALA 65 HA ALA 65 -10.174 -7.427 4.985 477 HB1 ALA 65 1HB ALA 65 -7.556 -6.477 3.845 478 HB2 ALA 65 2HB ALA 65 -7.705 -7.213 5.441 479 HB3 ALA 65 3HB ALA 65 -8.137 -8.135 4.001 480 H GLN 66 H GLN 66 -9.107 -4.229 3.939 481 HA GLN 66 HA GLN 66 -9.277 -3.253 6.694 482 HB2 GLN 66 1HB GLN 66 -8.191 -1.230 5.858 483 HB3 GLN 66 2HB GLN 66 -7.264 -2.661 5.427 484 HG2 GLN 66 1HG GLN 66 -8.471 -2.551 3.182 485 HG3 GLN 66 2HG GLN 66 -8.948 -0.923 3.662 486 HE21 GLN 66 2HE2 GLN 66 -6.853 -2.474 1.814 487 HE22 GLN 66 1HE2 GLN 66 -5.485 -1.423 1.905 488 H MET 67 H MET 67 -11.626 -3.974 5.048 489 HA MET 67 HA MET 67 -12.924 -1.335 4.891 490 HB2 MET 67 1HB MET 67 -13.386 -3.891 3.381 491 HB3 MET 67 2HB MET 67 -14.647 -2.671 3.495 492 HG2 MET 67 1HG MET 67 -11.949 -1.805 2.618 493 HG3 MET 67 2HG MET 67 -12.933 -2.736 1.492 494 HE1 MET 67 3HE MET 67 -15.926 -0.647 0.716 495 HE2 MET 67 1HE MET 67 -15.300 -2.269 1.016 496 HE3 MET 67 2HE MET 67 -16.087 -1.374 2.316 497 H SER 68 H SER 68 -15.151 -1.201 5.592 498 HA SER 68 HA SER 68 -15.785 -3.164 7.698 499 HB2 SER 68 1HB SER 68 -17.052 -1.172 8.740 500 HB3 SER 68 2HB SER 68 -15.292 -1.170 8.848 501 HG SER 68 HG SER 68 -16.707 0.751 7.934 502 H VAL 69 H VAL 69 -17.969 -3.708 8.025 503 HA VAL 69 HA VAL 69 -19.507 -4.103 5.750 504 HB VAL 69 HB VAL 69 -20.450 -3.977 8.618 505 HG11 VAL 69 1HG1 VAL 69 -21.777 -4.901 6.094 506 HG12 VAL 69 2HG1 VAL 69 -22.229 -5.570 7.664 507 HG13 VAL 69 3HG1 VAL 69 -22.405 -3.842 7.356 508 HG21 VAL 69 3HG2 VAL 69 -18.606 -5.613 8.012 509 HG22 VAL 69 1HG2 VAL 69 -20.058 -6.300 8.740 510 HG23 VAL 69 2HG2 VAL 69 -19.798 -6.428 7.000 511 H GLY 70 H GLY 70 -20.934 -2.915 4.634 512 HA2 GLY 70 1HA GLY 70 -22.447 -1.237 4.137 513 HA3 GLY 70 2HA GLY 70 -22.386 -0.737 5.821 514 H GLN 71 H GLN 71 -19.287 -0.979 4.579 515 HA GLN 71 HA GLN 71 -19.166 1.934 4.246 516 HB2 GLN 71 1HB GLN 71 -17.717 0.596 5.944 517 HB3 GLN 71 2HB GLN 71 -16.761 0.162 4.533 518 HG2 GLN 71 1HG GLN 71 -16.988 2.865 4.251 519 HG3 GLN 71 2HG GLN 71 -16.913 2.679 6.003 520 HE21 GLN 71 2HE2 GLN 71 -15.216 2.374 3.012 521 HE22 GLN 71 1HE2 GLN 71 -13.656 2.057 3.683 522 H ARG 72 H ARG 72 -18.439 2.872 2.403 523 HA ARG 72 HA ARG 72 -17.690 1.068 0.196 524 HB2 ARG 72 1HB ARG 72 -19.855 1.947 -0.294 525 HB3 ARG 72 2HB ARG 72 -19.368 3.574 0.161 526 HG2 ARG 72 1HG ARG 72 -18.140 3.887 -1.787 527 HG3 ARG 72 2HG ARG 72 -18.039 2.156 -2.114 528 HD2 ARG 72 1HD ARG 72 -19.605 3.326 -3.621 529 HD3 ARG 72 2HD ARG 72 -20.390 2.079 -2.653 530 HE ARG 72 HE ARG 72 -20.524 4.716 -1.506 531 HH11 ARG 72 1HH1 ARG 72 -22.027 2.438 -3.668 532 HH12 ARG 72 2HH1 ARG 72 -23.598 3.158 -3.543 533 HH21 ARG 72 1HH2 ARG 72 -22.588 5.672 -1.334 534 HH22 ARG 72 2HH2 ARG 72 -23.916 4.998 -2.216 535 H ALA 73 H ALA 73 -15.887 1.535 -0.941 536 HA ALA 73 HA ALA 73 -14.693 4.157 -0.899 537 HB1 ALA 73 1HB ALA 73 -13.186 1.878 0.378 538 HB2 ALA 73 2HB ALA 73 -12.608 3.529 0.144 539 HB3 ALA 73 3HB ALA 73 -13.941 3.210 1.254 540 H LYS 74 H LYS 74 -12.690 4.232 -2.216 541 HA LYS 74 HA LYS 74 -12.950 2.407 -4.481 542 HB2 LYS 74 1HB LYS 74 -11.946 4.040 -5.794 543 HB3 LYS 74 2HB LYS 74 -12.837 4.999 -4.619 544 HG2 LYS 74 1HG LYS 74 -10.627 5.004 -3.288 545 HG3 LYS 74 2HG LYS 74 -9.893 4.521 -4.819 546 HD2 LYS 74 1HD LYS 74 -11.656 6.945 -4.495 547 HD3 LYS 74 2HD LYS 74 -9.895 6.990 -4.383 548 HE2 LYS 74 1HE LYS 74 -11.200 5.765 -6.775 549 HE3 LYS 74 2HE LYS 74 -11.087 7.519 -6.646 550 HZ1 LYS 74 3HZ LYS 74 -8.819 7.477 -6.801 551 HZ2 LYS 74 1HZ LYS 74 -9.204 6.155 -7.784 552 HZ3 LYS 74 2HZ LYS 74 -8.678 5.903 -6.197 553 H LEU 75 H LEU 75 -11.417 0.980 -5.098 554 HA LEU 75 HA LEU 75 -9.014 0.794 -3.407 555 HB2 LEU 75 1HB LEU 75 -10.697 -1.089 -3.368 556 HB3 LEU 75 2HB LEU 75 -10.242 -1.415 -5.039 557 HG LEU 75 HG LEU 75 -7.907 -1.812 -4.250 558 HD11 LEU 75 1HD1 LEU 75 -7.662 -2.301 -1.807 559 HD12 LEU 75 2HD1 LEU 75 -9.219 -1.511 -1.558 560 HD13 LEU 75 3HD1 LEU 75 -7.860 -0.594 -2.207 561 HD21 LEU 75 3HD2 LEU 75 -10.265 -3.462 -3.666 562 HD22 LEU 75 1HD2 LEU 75 -8.800 -3.920 -2.798 563 HD23 LEU 75 2HD2 LEU 75 -8.795 -3.852 -4.561 564 H VAL 76 H VAL 76 -7.576 2.017 -4.559 565 HA VAL 76 HA VAL 76 -7.181 1.407 -7.397 566 HB VAL 76 HB VAL 76 -7.327 3.752 -6.972 567 HG11 VAL 76 1HG1 VAL 76 -5.105 4.403 -5.400 568 HG12 VAL 76 2HG1 VAL 76 -6.808 4.537 -4.958 569 HG13 VAL 76 3HG1 VAL 76 -5.907 3.072 -4.565 570 HG21 VAL 76 3HG2 VAL 76 -4.396 3.657 -7.168 571 HG22 VAL 76 1HG2 VAL 76 -5.256 2.611 -8.298 572 HG23 VAL 76 2HG2 VAL 76 -5.587 4.343 -8.273 573 H CYS 77 H CYS 77 -5.960 -0.390 -7.584 574 HA CYS 77 HA CYS 77 -3.343 -0.372 -6.235 575 HB2 CYS 77 1HB CYS 77 -3.440 -2.761 -5.953 576 HB3 CYS 77 2HB CYS 77 -4.905 -2.068 -5.267 577 HG CYS 77 HG CYS 77 -4.829 -3.399 -8.413 578 H SER 78 H SER 78 -1.693 -1.703 -7.364 579 HA SER 78 HA SER 78 -1.723 -1.072 -10.176 580 HB2 SER 78 1HB SER 78 0.550 -2.630 -9.613 581 HB3 SER 78 2HB SER 78 0.468 -0.873 -9.743 582 HG SER 78 HG SER 78 0.850 -2.405 -7.557 583 HA PRO 79 HA PRO 79 -2.721 -4.965 -11.933 584 HB2 PRO 79 1HB PRO 79 -0.820 -5.337 -13.835 585 HB3 PRO 79 2HB PRO 79 -2.105 -4.133 -13.984 586 HG2 PRO 79 1HG PRO 79 0.740 -3.770 -13.129 587 HG3 PRO 79 2HG PRO 79 -0.239 -2.764 -14.212 588 HD2 PRO 79 1HD PRO 79 0.204 -2.111 -11.622 589 HD3 PRO 79 2HD PRO 79 -1.302 -1.698 -12.467 590 H ASP 80 H ASP 80 0.528 -4.595 -10.710 591 HA ASP 80 HA ASP 80 1.400 -7.258 -10.929 592 HB2 ASP 80 1HB ASP 80 2.164 -4.945 -9.181 593 HB3 ASP 80 2HB ASP 80 2.840 -6.540 -8.865 594 H TYR 81 H TYR 81 -0.837 -5.744 -8.790 595 HA TYR 81 HA TYR 81 -0.899 -8.165 -7.111 596 HB2 TYR 81 1HB TYR 81 -1.269 -5.285 -6.507 597 HB3 TYR 81 2HB TYR 81 -2.329 -6.405 -5.658 598 HD1 TYR 81 HD2 TYR 81 1.175 -7.062 -6.666 599 HD2 TYR 81 HD1 TYR 81 -1.485 -6.191 -3.462 600 HE1 TYR 81 HE2 TYR 81 2.971 -7.534 -5.055 601 HE2 TYR 81 HE1 TYR 81 0.304 -6.660 -1.841 602 HH TYR 81 HH TYR 81 3.595 -7.130 -2.822 603 H ALA 82 H ALA 82 -2.277 -7.337 -9.749 604 HA ALA 82 HA ALA 82 -4.837 -8.505 -9.057 605 HB1 ALA 82 1HB ALA 82 -6.207 -6.761 -9.921 606 HB2 ALA 82 2HB ALA 82 -5.115 -6.035 -8.742 607 HB3 ALA 82 3HB ALA 82 -4.802 -5.845 -10.468 608 H TYR 83 H TYR 83 -6.180 -8.004 -11.428 609 HA TYR 83 HA TYR 83 -4.620 -9.643 -13.265 610 HB2 TYR 83 1HB TYR 83 -6.874 -9.667 -14.522 611 HB3 TYR 83 2HB TYR 83 -6.772 -10.526 -12.990 612 HD1 TYR 83 HD2 TYR 83 -7.484 -7.016 -14.085 613 HD2 TYR 83 HD1 TYR 83 -8.639 -10.321 -11.666 614 HE1 TYR 83 HE2 TYR 83 -9.395 -5.721 -13.238 615 HE2 TYR 83 HE1 TYR 83 -10.555 -9.035 -10.814 616 HH TYR 83 HH TYR 83 -11.977 -6.956 -11.837 617 H GLY 84 H GLY 84 -4.384 -6.607 -12.773 618 HA2 GLY 84 1HA GLY 84 -5.172 -5.350 -15.207 619 HA3 GLY 84 2HA GLY 84 -4.059 -4.696 -14.015 620 H SER 85 H SER 85 -2.432 -7.243 -14.288 621 HA SER 85 HA SER 85 -0.419 -6.324 -15.912 622 HB2 SER 85 1HB SER 85 0.232 -8.096 -14.567 623 HB3 SER 85 2HB SER 85 -1.190 -9.059 -14.969 624 HG SER 85 HG SER 85 -0.290 -9.565 -16.924 625 H ARG 86 H ARG 86 -2.423 -9.107 -16.875 626 HA ARG 86 HA ARG 86 -1.831 -8.671 -19.648 627 HB2 ARG 86 1HB ARG 86 -3.434 -10.580 -19.989 628 HB3 ARG 86 2HB ARG 86 -2.070 -10.936 -18.939 629 HG2 ARG 86 1HG ARG 86 -3.472 -11.609 -17.371 630 HG3 ARG 86 2HG ARG 86 -4.157 -9.984 -17.295 631 HD2 ARG 86 1HD ARG 86 -5.880 -10.506 -18.760 632 HD3 ARG 86 2HD ARG 86 -5.020 -11.890 -19.433 633 HE ARG 86 HE ARG 86 -5.720 -12.158 -16.649 634 HH11 ARG 86 1HH1 ARG 86 -6.727 -12.662 -19.944 635 HH12 ARG 86 2HH1 ARG 86 -7.859 -13.911 -19.544 636 HH21 ARG 86 1HH2 ARG 86 -7.208 -13.801 -16.111 637 HH22 ARG 86 2HH2 ARG 86 -8.132 -14.558 -17.363 638 H GLY 87 H GLY 87 -4.585 -8.120 -17.520 639 HA2 GLY 87 1HA GLY 87 -6.555 -6.983 -17.833 640 HA3 GLY 87 2HA GLY 87 -5.637 -5.996 -18.960 641 H HIS 88 H HIS 88 -7.509 -5.776 -20.265 642 HA HIS 88 HA HIS 88 -7.766 -7.896 -22.209 643 HB2 HIS 88 1HB HIS 88 -9.871 -7.323 -20.207 644 HB3 HIS 88 2HB HIS 88 -10.417 -7.498 -21.872 645 HD1 HIS 88 HD1 HIS 88 -9.283 -9.423 -18.951 646 HD2 HIS 88 HD2 HIS 88 -9.874 -10.085 -23.010 647 HE1 HIS 88 HE1 HIS 88 -9.294 -11.922 -19.230 648 HA PRO 89 HA PRO 89 -8.387 -4.523 -24.946 649 HB2 PRO 89 1HB PRO 89 -9.921 -5.669 -26.871 650 HB3 PRO 89 2HB PRO 89 -8.204 -6.035 -26.666 651 HG2 PRO 89 1HG PRO 89 -10.594 -7.580 -25.738 652 HG3 PRO 89 2HG PRO 89 -9.099 -8.173 -26.484 653 HD2 PRO 89 1HD PRO 89 -9.541 -8.290 -23.816 654 HD3 PRO 89 2HD PRO 89 -7.921 -8.067 -24.506 655 H GLY 90 H GLY 90 -9.613 -2.833 -24.372 656 HA2 GLY 90 1HA GLY 90 -11.505 -1.500 -24.320 657 HA3 GLY 90 2HA GLY 90 -12.441 -2.867 -24.906 658 H VAL 91 H VAL 91 -10.609 -3.755 -22.243 659 HA VAL 91 HA VAL 91 -12.821 -3.164 -20.389 660 HB VAL 91 HB VAL 91 -11.257 -5.744 -20.392 661 HG11 VAL 91 1HG1 VAL 91 -13.871 -5.139 -19.037 662 HG12 VAL 91 2HG1 VAL 91 -12.779 -6.498 -18.757 663 HG13 VAL 91 3HG1 VAL 91 -12.313 -4.872 -18.256 664 HG21 VAL 91 3HG2 VAL 91 -12.525 -5.761 -22.405 665 HG22 VAL 91 1HG2 VAL 91 -13.404 -6.745 -21.235 666 HG23 VAL 91 2HG2 VAL 91 -13.945 -5.105 -21.591 667 H ILE 92 H ILE 92 -9.484 -4.431 -20.447 668 HA ILE 92 HA ILE 92 -8.833 -2.572 -18.264 669 HB ILE 92 HB ILE 92 -7.969 -5.463 -18.403 670 HG12 ILE 92 1HG1 ILE 92 -9.759 -4.013 -16.440 671 HG13 ILE 92 2HG1 ILE 92 -10.287 -5.182 -17.645 672 HG21 ILE 92 1HG2 ILE 92 -6.790 -5.063 -16.338 673 HG22 ILE 92 2HG2 ILE 92 -6.221 -3.931 -17.563 674 HG23 ILE 92 3HG2 ILE 92 -7.338 -3.387 -16.311 675 HD11 ILE 92 3HD1 ILE 92 -8.406 -5.787 -15.377 676 HD12 ILE 92 1HD1 ILE 92 -10.139 -6.117 -15.375 677 HD13 ILE 92 2HD1 ILE 92 -9.085 -6.939 -16.526 678 HA PRO 93 HA PRO 93 -5.511 -1.491 -20.975 679 HB2 PRO 93 1HB PRO 93 -4.079 -0.015 -19.203 680 HB3 PRO 93 2HB PRO 93 -5.567 0.568 -19.957 681 HG2 PRO 93 1HG PRO 93 -5.161 -0.619 -17.239 682 HG3 PRO 93 2HG PRO 93 -6.140 0.782 -17.714 683 HD2 PRO 93 1HD PRO 93 -7.217 -1.660 -17.252 684 HD3 PRO 93 2HD PRO 93 -7.888 -0.530 -18.446 685 HA PRO 94 HA PRO 94 -2.212 -4.304 -20.222 686 HB2 PRO 94 1HB PRO 94 -0.143 -3.017 -21.420 687 HB3 PRO 94 2HB PRO 94 -1.450 -3.788 -22.327 688 HG2 PRO 94 1HG PRO 94 -1.076 -0.901 -21.626 689 HG3 PRO 94 2HG PRO 94 -1.601 -1.622 -23.159 690 HD2 PRO 94 1HD PRO 94 -3.339 -0.540 -21.387 691 HD3 PRO 94 2HD PRO 94 -3.766 -1.916 -22.425 692 H ASN 95 H ASN 95 -1.832 -4.354 -18.031 693 HA ASN 95 HA ASN 95 -0.875 -3.888 -16.013 694 HB2 ASN 95 1HB ASN 95 1.494 -2.787 -17.490 695 HB3 ASN 95 2HB ASN 95 1.456 -3.791 -16.043 696 HD21 ASN 95 2HD2 ASN 95 1.104 -3.757 -19.517 697 HD22 ASN 95 1HD2 ASN 95 1.346 -5.452 -19.752 698 H ALA 96 H ALA 96 -2.582 -2.063 -16.096 699 HA ALA 96 HA ALA 96 -1.179 0.472 -15.575 700 HB1 ALA 96 1HB ALA 96 -2.836 0.107 -17.711 701 HB2 ALA 96 2HB ALA 96 -3.939 0.766 -16.502 702 HB3 ALA 96 3HB ALA 96 -2.487 1.660 -16.951 703 H THR 97 H THR 97 -2.083 1.797 -13.951 704 HA THR 97 HA THR 97 -3.011 0.506 -11.681 705 HB THR 97 HB THR 97 -3.630 3.401 -12.231 706 HG1 THR 97 HG1 THR 97 -1.546 3.563 -12.630 707 HG21 THR 97 3HG2 THR 97 -4.457 2.558 -10.128 708 HG22 THR 97 1HG2 THR 97 -3.071 3.601 -9.815 709 HG23 THR 97 2HG2 THR 97 -2.887 1.848 -9.750 710 H LEU 98 H LEU 98 -4.939 -0.187 -11.007 711 HA LEU 98 HA LEU 98 -7.329 0.713 -12.478 712 HB2 LEU 98 1HB LEU 98 -7.094 -1.956 -11.131 713 HB3 LEU 98 2HB LEU 98 -8.259 -1.436 -12.347 714 HG LEU 98 HG LEU 98 -5.329 -1.985 -12.822 715 HD11 LEU 98 1HD1 LEU 98 -7.827 -3.569 -13.274 716 HD12 LEU 98 2HD1 LEU 98 -6.296 -4.076 -12.562 717 HD13 LEU 98 3HD1 LEU 98 -6.411 -3.802 -14.300 718 HD21 LEU 98 3HD2 LEU 98 -7.533 -0.965 -14.580 719 HD22 LEU 98 1HD2 LEU 98 -6.165 -1.854 -15.249 720 HD23 LEU 98 2HD2 LEU 98 -5.894 -0.345 -14.377 721 H THR 99 H THR 99 -9.075 1.355 -11.323 722 HA THR 99 HA THR 99 -8.872 1.197 -8.386 723 HB THR 99 HB THR 99 -10.095 3.451 -9.991 724 HG1 THR 99 HG1 THR 99 -8.187 4.357 -9.880 725 HG21 THR 99 3HG2 THR 99 -9.488 4.020 -7.229 726 HG22 THR 99 1HG2 THR 99 -10.582 2.644 -7.356 727 HG23 THR 99 2HG2 THR 99 -11.014 4.186 -8.095 728 H PHE 100 H PHE 100 -10.250 -0.424 -7.900 729 HA PHE 100 HA PHE 100 -12.918 -0.409 -9.124 730 HB2 PHE 100 1HB PHE 100 -11.409 -2.559 -7.630 731 HB3 PHE 100 2HB PHE 100 -13.092 -2.717 -8.123 732 HD1 PHE 100 HD1 PHE 100 -9.624 -2.481 -9.303 733 HD2 PHE 100 HD2 PHE 100 -13.684 -3.137 -10.397 734 HE1 PHE 100 HE1 PHE 100 -8.894 -3.302 -11.504 735 HE2 PHE 100 HE2 PHE 100 -12.961 -3.960 -12.600 736 HZ PHE 100 HZ PHE 100 -10.563 -4.044 -13.156 737 H ASP 101 H ASP 101 -14.553 0.400 -8.007 738 HA ASP 101 HA ASP 101 -14.265 1.176 -5.269 739 HB2 ASP 101 1HB ASP 101 -16.221 1.568 -7.419 740 HB3 ASP 101 2HB ASP 101 -16.946 1.431 -5.820 741 H VAL 102 H VAL 102 -14.526 -0.101 -3.573 742 HA VAL 102 HA VAL 102 -16.180 -2.516 -3.853 743 HB VAL 102 HB VAL 102 -14.052 -1.882 -1.803 744 HG11 VAL 102 1HG1 VAL 102 -15.047 -3.450 -0.573 745 HG12 VAL 102 2HG1 VAL 102 -16.147 -3.881 -1.884 746 HG13 VAL 102 3HG1 VAL 102 -14.543 -4.610 -1.802 747 HG21 VAL 102 3HG2 VAL 102 -14.035 -3.740 -4.180 748 HG22 VAL 102 1HG2 VAL 102 -13.086 -2.266 -3.986 749 HG23 VAL 102 2HG2 VAL 102 -12.774 -3.659 -2.951 750 H GLU 103 H GLU 103 -17.908 -2.877 -2.560 751 HA GLU 103 HA GLU 103 -18.454 -0.931 -0.421 752 HB2 GLU 103 1HB GLU 103 -19.885 -0.204 -2.140 753 HB3 GLU 103 2HB GLU 103 -20.272 -1.847 -2.633 754 HG2 GLU 103 1HG GLU 103 -22.147 -0.787 -1.507 755 HG3 GLU 103 2HG GLU 103 -21.556 -2.179 -0.601 756 H LEU 104 H LEU 104 -18.232 -2.116 1.374 757 HA LEU 104 HA LEU 104 -18.726 -4.889 1.558 758 HB2 LEU 104 1HB LEU 104 -17.385 -3.177 3.080 759 HB3 LEU 104 2HB LEU 104 -18.898 -3.186 3.985 760 HG LEU 104 HG LEU 104 -17.565 -4.769 5.062 761 HD11 LEU 104 1HD1 LEU 104 -18.738 -6.784 4.831 762 HD12 LEU 104 2HD1 LEU 104 -19.041 -6.513 3.115 763 HD13 LEU 104 3HD1 LEU 104 -19.879 -5.538 4.322 764 HD21 LEU 104 3HD2 LEU 104 -15.767 -5.610 4.074 765 HD22 LEU 104 1HD2 LEU 104 -16.330 -5.021 2.510 766 HD23 LEU 104 2HD2 LEU 104 -16.800 -6.627 3.069 767 H LEU 105 H LEU 105 -20.527 -6.017 1.951 768 HA LEU 105 HA LEU 105 -22.968 -4.512 2.623 769 HB2 LEU 105 1HB LEU 105 -22.481 -6.893 0.882 770 HB3 LEU 105 2HB LEU 105 -24.066 -6.639 1.609 771 HG LEU 105 HG LEU 105 -22.656 -4.771 -0.296 772 HD11 LEU 105 1HD1 LEU 105 -25.135 -6.445 -0.665 773 HD12 LEU 105 2HD1 LEU 105 -23.544 -6.825 -1.325 774 HD13 LEU 105 3HD1 LEU 105 -24.396 -5.375 -1.857 775 HD21 LEU 105 3HD2 LEU 105 -25.374 -4.119 -0.017 776 HD22 LEU 105 1HD2 LEU 105 -23.976 -3.171 0.491 777 HD23 LEU 105 2HD2 LEU 105 -24.735 -4.296 1.618 778 H ARG 106 H ARG 106 -21.029 -7.343 3.327 779 HA ARG 106 HA ARG 106 -21.837 -7.512 5.995 780 HB2 ARG 106 1HB ARG 106 -23.084 -9.737 5.802 781 HB3 ARG 106 2HB ARG 106 -23.971 -8.280 5.374 782 HG2 ARG 106 1HG ARG 106 -24.155 -8.864 3.204 783 HG3 ARG 106 2HG ARG 106 -22.567 -9.634 3.164 784 HD2 ARG 106 1HD ARG 106 -24.025 -11.426 2.931 785 HD3 ARG 106 2HD ARG 106 -23.653 -11.437 4.654 786 HE ARG 106 HE ARG 106 -25.907 -9.903 4.434 787 HH11 ARG 106 1HH1 ARG 106 -25.014 -13.144 3.531 788 HH12 ARG 106 2HH1 ARG 106 -26.617 -13.775 3.709 789 HH21 ARG 106 1HH2 ARG 106 -28.023 -10.721 4.672 790 HH22 ARG 106 2HH2 ARG 106 -28.328 -12.396 4.357 791 H VAL 107 H VAL 107 -21.142 -9.654 7.003 792 HA VAL 107 HA VAL 107 -19.000 -10.937 5.457 793 HB VAL 107 HB VAL 107 -17.896 -9.244 6.803 794 HG11 VAL 107 1HG1 VAL 107 -19.632 -9.009 8.526 795 HG12 VAL 107 2HG1 VAL 107 -19.166 -10.575 9.194 796 HG13 VAL 107 3HG1 VAL 107 -18.029 -9.227 9.227 797 HG21 VAL 107 3HG2 VAL 107 -16.717 -11.335 6.483 798 HG22 VAL 107 1HG2 VAL 107 -16.377 -10.698 8.092 799 HG23 VAL 107 2HG2 VAL 107 -17.514 -12.032 7.893 800 H GLU 108 H GLU 108 -18.621 -13.076 5.939 801 HA GLU 108 HA GLU 108 -20.281 -14.285 8.044 802 HB2 GLU 108 1HB GLU 108 -19.980 -15.210 5.187 803 HB3 GLU 108 2HB GLU 108 -20.611 -16.238 6.467 804 HG2 GLU 108 1HG GLU 108 -21.833 -13.565 5.928 805 HG3 GLU 108 2HG GLU 108 -22.252 -14.964 4.940 Start of MODEL 8 1 H1 MET 1 H MET 1 1.881 -1.784 0.933 2 HA MET 1 HA MET 1 1.547 0.694 -0.628 3 HB2 MET 1 1HB MET 1 3.919 -1.072 -0.219 4 HB3 MET 1 2HB MET 1 3.730 -0.270 -1.772 5 HG2 MET 1 1HG MET 1 5.055 1.195 -0.576 6 HG3 MET 1 2HG MET 1 3.440 1.876 -0.395 7 HE1 MET 1 3HE MET 1 2.426 2.490 1.814 8 HE2 MET 1 1HE MET 1 3.506 2.615 3.204 9 HE3 MET 1 2HE MET 1 3.968 3.334 1.661 10 H GLY 2 H GLY 2 1.472 0.433 -2.958 11 HA2 GLY 2 1HA GLY 2 1.105 -0.806 -4.925 12 HA3 GLY 2 2HA GLY 2 0.905 -2.254 -3.949 13 H VAL 3 H VAL 3 -0.953 -0.513 -2.202 14 HA VAL 3 HA VAL 3 -3.259 -0.292 -3.979 15 HB VAL 3 HB VAL 3 -3.224 -2.629 -3.048 16 HG11 VAL 3 1HG1 VAL 3 -3.485 -3.076 -0.792 17 HG12 VAL 3 2HG1 VAL 3 -2.359 -1.717 -0.777 18 HG13 VAL 3 3HG1 VAL 3 -4.069 -1.452 -0.432 19 HG21 VAL 3 3HG2 VAL 3 -5.653 -1.543 -1.851 20 HG22 VAL 3 1HG2 VAL 3 -5.318 -0.902 -3.460 21 HG23 VAL 3 2HG2 VAL 3 -5.456 -2.643 -3.216 22 H GLN 4 H GLN 4 -4.952 0.995 -3.154 23 HA GLN 4 HA GLN 4 -4.508 2.313 -0.585 24 HB2 GLN 4 1HB GLN 4 -3.912 3.521 -3.095 25 HB3 GLN 4 2HB GLN 4 -5.329 4.324 -2.430 26 HG2 GLN 4 1HG GLN 4 -3.194 5.399 -1.812 27 HG3 GLN 4 2HG GLN 4 -4.153 4.884 -0.426 28 HE21 GLN 4 2HE2 GLN 4 -1.616 3.649 -2.577 29 HE22 GLN 4 1HE2 GLN 4 -0.701 2.873 -1.334 30 H VAL 5 H VAL 5 -6.363 3.108 0.386 31 HA VAL 5 HA VAL 5 -8.887 2.446 -0.987 32 HB VAL 5 HB VAL 5 -8.346 2.365 1.984 33 HG11 VAL 5 1HG1 VAL 5 -10.628 2.958 1.588 34 HG12 VAL 5 2HG1 VAL 5 -10.796 1.701 0.360 35 HG13 VAL 5 3HG1 VAL 5 -10.583 1.258 2.055 36 HG21 VAL 5 3HG2 VAL 5 -7.790 0.458 -0.046 37 HG22 VAL 5 1HG2 VAL 5 -7.605 0.292 1.700 38 HG23 VAL 5 2HG2 VAL 5 -9.127 -0.152 0.928 39 H VAL 6 H VAL 6 -10.017 4.187 -1.512 40 HA VAL 6 HA VAL 6 -9.673 6.646 0.056 41 HB VAL 6 HB VAL 6 -10.990 6.359 -2.645 42 HG11 VAL 6 1HG1 VAL 6 -10.129 8.708 -0.980 43 HG12 VAL 6 2HG1 VAL 6 -10.430 8.837 -2.714 44 HG13 VAL 6 3HG1 VAL 6 -11.730 8.349 -1.625 45 HG21 VAL 6 3HG2 VAL 6 -8.157 7.165 -1.989 46 HG22 VAL 6 1HG2 VAL 6 -8.656 5.677 -2.792 47 HG23 VAL 6 2HG2 VAL 6 -8.901 7.232 -3.586 48 H THR 7 H THR 7 -11.073 6.412 1.749 49 HA THR 7 HA THR 7 -13.564 5.248 1.796 50 HB THR 7 HB THR 7 -13.045 7.777 3.335 51 HG1 THR 7 HG1 THR 7 -11.918 5.198 3.792 52 HG21 THR 7 3HG2 THR 7 -15.036 5.795 3.387 53 HG22 THR 7 1HG2 THR 7 -14.794 7.105 4.543 54 HG23 THR 7 2HG2 THR 7 -14.047 5.532 4.823 55 H LEU 8 H LEU 8 -15.540 5.739 1.061 56 HA LEU 8 HA LEU 8 -15.933 8.399 -0.145 57 HB2 LEU 8 1HB LEU 8 -17.118 5.748 -0.952 58 HB3 LEU 8 2HB LEU 8 -17.548 7.302 -1.663 59 HG LEU 8 HG LEU 8 -14.714 6.338 -1.736 60 HD11 LEU 8 1HD1 LEU 8 -16.230 5.788 -4.149 61 HD12 LEU 8 2HD1 LEU 8 -16.774 4.827 -2.775 62 HD13 LEU 8 3HD1 LEU 8 -15.084 4.772 -3.274 63 HD21 LEU 8 3HD2 LEU 8 -16.294 8.500 -2.871 64 HD22 LEU 8 1HD2 LEU 8 -15.370 7.617 -4.085 65 HD23 LEU 8 2HD2 LEU 8 -14.545 8.341 -2.704 66 H ALA 9 H ALA 9 -17.646 5.689 1.397 67 HA ALA 9 HA ALA 9 -19.370 7.637 2.747 68 HB1 ALA 9 1HB ALA 9 -20.511 6.737 0.691 69 HB2 ALA 9 2HB ALA 9 -20.503 5.157 1.475 70 HB3 ALA 9 3HB ALA 9 -21.379 6.500 2.209 71 H ALA 10 H ALA 10 -18.722 7.307 4.794 72 HA ALA 10 HA ALA 10 -17.707 5.012 5.933 73 HB1 ALA 10 1HB ALA 10 -19.203 7.326 7.122 74 HB2 ALA 10 2HB ALA 10 -18.592 6.005 8.120 75 HB3 ALA 10 3HB ALA 10 -17.473 6.983 7.170 76 H GLY 11 H GLY 11 -18.578 3.362 7.240 77 HA2 GLY 11 1HA GLY 11 -21.488 2.950 6.935 78 HA3 GLY 11 2HA GLY 11 -20.338 1.651 6.653 79 H ASP 12 H ASP 12 -20.215 0.259 8.267 80 HA ASP 12 HA ASP 12 -21.231 0.906 10.876 81 HB2 ASP 12 1HB ASP 12 -19.986 -1.571 9.689 82 HB3 ASP 12 2HB ASP 12 -20.431 -1.468 11.390 83 H GLU 13 H GLU 13 -18.060 0.382 9.432 84 HA GLU 13 HA GLU 13 -15.942 0.652 10.230 85 HB2 GLU 13 1HB GLU 13 -17.297 2.755 11.928 86 HB3 GLU 13 2HB GLU 13 -15.571 2.650 11.609 87 HG2 GLU 13 1HG GLU 13 -16.049 2.958 9.197 88 HG3 GLU 13 2HG GLU 13 -17.746 3.203 9.606 89 H ALA 14 H ALA 14 -17.591 -1.332 11.555 90 HA ALA 14 HA ALA 14 -16.057 -1.533 14.042 91 HB1 ALA 14 1HB ALA 14 -17.818 -1.285 15.365 92 HB2 ALA 14 2HB ALA 14 -18.831 -0.968 13.957 93 HB3 ALA 14 3HB ALA 14 -18.636 -2.618 14.549 94 H THR 15 H THR 15 -18.166 -3.127 11.692 95 HA THR 15 HA THR 15 -17.094 -5.737 12.466 96 HB THR 15 HB THR 15 -18.854 -6.134 10.340 97 HG1 THR 15 HG1 THR 15 -19.587 -3.975 10.565 98 HG21 THR 15 3HG2 THR 15 -19.873 -6.200 13.138 99 HG22 THR 15 1HG2 THR 15 -18.498 -7.222 12.723 100 HG23 THR 15 2HG2 THR 15 -20.023 -7.400 11.855 101 H TYR 16 H TYR 16 -15.217 -6.234 11.531 102 HA TYR 16 HA TYR 16 -14.879 -5.615 8.669 103 HB2 TYR 16 1HB TYR 16 -12.755 -5.901 10.804 104 HB3 TYR 16 2HB TYR 16 -12.442 -5.622 9.095 105 HD1 TYR 16 HD1 TYR 16 -14.138 -4.129 12.053 106 HD2 TYR 16 HD2 TYR 16 -12.331 -3.443 8.262 107 HE1 TYR 16 HE1 TYR 16 -14.281 -1.702 12.430 108 HE2 TYR 16 HE2 TYR 16 -12.468 -1.015 8.630 109 HH TYR 16 HH TYR 16 -13.315 0.605 9.930 110 HA PRO 17 HA PRO 17 -14.527 -9.900 7.785 111 HB2 PRO 17 1HB PRO 17 -12.764 -9.861 5.721 112 HB3 PRO 17 2HB PRO 17 -14.436 -9.309 5.567 113 HG2 PRO 17 1HG PRO 17 -11.939 -7.704 5.962 114 HG3 PRO 17 2HG PRO 17 -13.311 -7.392 4.882 115 HD2 PRO 17 1HD PRO 17 -13.011 -6.129 7.258 116 HD3 PRO 17 2HD PRO 17 -14.604 -6.510 6.573 117 H LYS 18 H LYS 18 -13.524 -11.332 9.040 118 HA LYS 18 HA LYS 18 -10.888 -10.901 10.068 119 HB2 LYS 18 1HB LYS 18 -12.916 -12.166 11.129 120 HB3 LYS 18 2HB LYS 18 -12.304 -13.540 10.218 121 HG2 LYS 18 1HG LYS 18 -10.109 -13.231 11.341 122 HG3 LYS 18 2HG LYS 18 -10.847 -11.973 12.335 123 HD2 LYS 18 1HD LYS 18 -11.012 -13.857 13.682 124 HD3 LYS 18 2HD LYS 18 -12.599 -13.789 12.912 125 HE2 LYS 18 1HE LYS 18 -11.955 -16.034 12.742 126 HE3 LYS 18 2HE LYS 18 -11.618 -15.355 11.151 127 HZ1 LYS 18 3HZ LYS 18 -9.556 -16.090 11.381 128 HZ2 LYS 18 1HZ LYS 18 -9.834 -16.572 12.979 129 HZ3 LYS 18 2HZ LYS 18 -9.324 -14.994 12.648 130 H ALA 19 H ALA 19 -9.001 -12.013 9.616 131 HA ALA 19 HA ALA 19 -8.506 -12.724 6.965 132 HB1 ALA 19 1HB ALA 19 -7.024 -12.697 9.461 133 HB2 ALA 19 2HB ALA 19 -6.531 -14.015 8.397 134 HB3 ALA 19 3HB ALA 19 -6.482 -12.350 7.819 135 H GLY 20 H GLY 20 -9.339 -14.397 5.899 136 HA2 GLY 20 1HA GLY 20 -9.319 -16.738 5.437 137 HA3 GLY 20 2HA GLY 20 -9.224 -17.046 7.165 138 H GLN 21 H GLN 21 -11.448 -14.657 6.789 139 HA GLN 21 HA GLN 21 -13.648 -16.590 6.922 140 HB2 GLN 21 1HB GLN 21 -13.027 -14.159 8.324 141 HB3 GLN 21 2HB GLN 21 -14.587 -13.998 7.528 142 HG2 GLN 21 1HG GLN 21 -14.926 -16.410 8.604 143 HG3 GLN 21 2HG GLN 21 -13.762 -15.755 9.755 144 HE21 GLN 21 2HE2 GLN 21 -14.501 -13.105 9.778 145 HE22 GLN 21 1HE2 GLN 21 -16.081 -12.956 10.462 146 H VAL 22 H VAL 22 -15.714 -15.983 5.912 147 HA VAL 22 HA VAL 22 -15.263 -15.074 3.202 148 HB VAL 22 HB VAL 22 -17.835 -15.996 4.491 149 HG11 VAL 22 1HG1 VAL 22 -18.333 -14.761 2.524 150 HG12 VAL 22 2HG1 VAL 22 -17.033 -15.544 1.624 151 HG13 VAL 22 3HG1 VAL 22 -18.458 -16.469 2.101 152 HG21 VAL 22 3HG2 VAL 22 -17.326 -18.131 3.247 153 HG22 VAL 22 1HG2 VAL 22 -15.693 -17.508 3.013 154 HG23 VAL 22 2HG2 VAL 22 -16.300 -17.799 4.643 155 H ALA 23 H ALA 23 -16.119 -13.270 2.241 156 HA ALA 23 HA ALA 23 -17.781 -11.472 3.835 157 HB1 ALA 23 1HB ALA 23 -15.254 -10.499 2.515 158 HB2 ALA 23 2HB ALA 23 -16.364 -9.573 3.526 159 HB3 ALA 23 3HB ALA 23 -15.394 -10.864 4.236 160 H VAL 24 H VAL 24 -19.158 -10.220 2.644 161 HA VAL 24 HA VAL 24 -19.058 -10.600 -0.278 162 HB VAL 24 HB VAL 24 -21.531 -10.004 1.345 163 HG11 VAL 24 1HG1 VAL 24 -21.913 -11.376 -1.158 164 HG12 VAL 24 2HG1 VAL 24 -22.585 -9.840 -0.606 165 HG13 VAL 24 3HG1 VAL 24 -21.008 -9.881 -1.397 166 HG21 VAL 24 3HG2 VAL 24 -21.789 -12.585 0.441 167 HG22 VAL 24 1HG2 VAL 24 -20.100 -12.513 0.944 168 HG23 VAL 24 2HG2 VAL 24 -21.380 -12.109 2.089 169 H VAL 25 H VAL 25 -18.782 -8.846 -1.485 170 HA VAL 25 HA VAL 25 -19.735 -6.253 -0.541 171 HB VAL 25 HB VAL 25 -17.699 -5.113 -0.749 172 HG11 VAL 25 1HG1 VAL 25 -17.933 -6.666 1.249 173 HG12 VAL 25 2HG1 VAL 25 -16.780 -7.720 0.429 174 HG13 VAL 25 3HG1 VAL 25 -16.310 -6.082 0.884 175 HG21 VAL 25 3HG2 VAL 25 -15.623 -6.578 -1.495 176 HG22 VAL 25 1HG2 VAL 25 -16.877 -7.475 -2.352 177 HG23 VAL 25 2HG2 VAL 25 -16.647 -5.755 -2.671 178 H HIS 26 H HIS 26 -19.571 -4.574 -2.266 179 HA HIS 26 HA HIS 26 -20.062 -5.811 -4.888 180 HB2 HIS 26 1HB HIS 26 -21.336 -3.639 -3.399 181 HB3 HIS 26 2HB HIS 26 -20.971 -3.210 -5.068 182 HD1 HIS 26 HD1 HIS 26 -21.736 -5.443 -6.737 183 HD2 HIS 26 HD2 HIS 26 -23.840 -4.608 -3.253 184 HE1 HIS 26 HE1 HIS 26 -23.983 -6.532 -7.031 185 H TYR 27 H TYR 27 -18.673 -5.466 -6.488 186 HA TYR 27 HA TYR 27 -16.645 -3.369 -6.146 187 HB2 TYR 27 1HB TYR 27 -15.270 -4.645 -7.697 188 HB3 TYR 27 2HB TYR 27 -15.817 -5.686 -6.387 189 HD1 TYR 27 HD2 TYR 27 -16.427 -4.796 -9.933 190 HD2 TYR 27 HD1 TYR 27 -17.070 -7.636 -6.830 191 HE1 TYR 27 HE2 TYR 27 -17.330 -6.384 -11.580 192 HE2 TYR 27 HE1 TYR 27 -17.974 -9.231 -8.469 193 HH TYR 27 HH TYR 27 -18.870 -9.350 -10.621 194 H THR 28 H THR 28 -16.221 -1.881 -7.745 195 HA THR 28 HA THR 28 -17.980 -1.894 -10.100 196 HB THR 28 HB THR 28 -17.507 0.450 -8.252 197 HG1 THR 28 HG1 THR 28 -19.262 -0.555 -7.496 198 HG21 THR 28 3HG2 THR 28 -19.323 1.264 -10.152 199 HG22 THR 28 1HG2 THR 28 -18.139 0.367 -11.101 200 HG23 THR 28 2HG2 THR 28 -17.620 1.720 -10.097 201 H GLY 29 H GLY 29 -16.881 -1.642 -11.932 202 HA2 GLY 29 1HA GLY 29 -14.085 -1.267 -11.985 203 HA3 GLY 29 2HA GLY 29 -15.151 -1.223 -13.381 204 H THR 30 H THR 30 -12.801 0.455 -12.462 205 HA THR 30 HA THR 30 -13.761 2.938 -13.440 206 HB THR 30 HB THR 30 -12.761 3.753 -10.904 207 HG1 THR 30 HG1 THR 30 -13.469 1.917 -9.916 208 HG21 THR 30 3HG2 THR 30 -15.637 3.909 -11.740 209 HG22 THR 30 1HG2 THR 30 -14.399 4.835 -12.587 210 HG23 THR 30 2HG2 THR 30 -14.670 5.094 -10.863 211 H LEU 31 H LEU 31 -12.103 4.255 -14.087 212 HA LEU 31 HA LEU 31 -9.409 3.161 -13.745 213 HB2 LEU 31 1HB LEU 31 -10.676 4.985 -15.753 214 HB3 LEU 31 2HB LEU 31 -8.924 4.906 -15.588 215 HG LEU 31 HG LEU 31 -10.736 2.605 -16.316 216 HD11 LEU 31 1HD1 LEU 31 -8.657 3.798 -18.095 217 HD12 LEU 31 2HD1 LEU 31 -10.252 4.541 -17.986 218 HD13 LEU 31 3HD1 LEU 31 -10.094 2.865 -18.513 219 HD21 LEU 31 3HD2 LEU 31 -7.928 2.770 -15.477 220 HD22 LEU 31 1HD2 LEU 31 -8.206 1.857 -16.961 221 HD23 LEU 31 2HD2 LEU 31 -9.039 1.399 -15.475 222 H ALA 32 H ALA 32 -7.605 4.680 -13.472 223 HA ALA 32 HA ALA 32 -7.916 6.310 -11.226 224 HB1 ALA 32 1HB ALA 32 -5.627 7.272 -12.278 225 HB2 ALA 32 2HB ALA 32 -5.738 5.754 -11.387 226 HB3 ALA 32 3HB ALA 32 -5.759 5.745 -13.150 227 H ASP 33 H ASP 33 -8.456 6.970 -14.559 228 HA ASP 33 HA ASP 33 -8.247 9.840 -14.302 229 HB2 ASP 33 1HB ASP 33 -7.710 8.680 -16.428 230 HB3 ASP 33 2HB ASP 33 -9.397 8.190 -16.562 231 H GLY 34 H GLY 34 -10.599 7.477 -13.660 232 HA2 GLY 34 1HA GLY 34 -12.546 8.197 -12.387 233 HA3 GLY 34 2HA GLY 34 -12.652 9.589 -13.454 234 H LYS 35 H LYS 35 -11.938 7.534 -15.677 235 HA LYS 35 HA LYS 35 -14.446 7.276 -16.796 236 HB2 LYS 35 1HB LYS 35 -12.032 6.812 -17.743 237 HB3 LYS 35 2HB LYS 35 -12.404 5.151 -17.304 238 HG2 LYS 35 1HG LYS 35 -14.121 4.989 -18.849 239 HG3 LYS 35 2HG LYS 35 -14.315 6.740 -18.965 240 HD2 LYS 35 1HD LYS 35 -11.746 5.467 -19.815 241 HD3 LYS 35 2HD LYS 35 -13.145 5.426 -20.892 242 HE2 LYS 35 1HE LYS 35 -13.277 7.827 -20.894 243 HE3 LYS 35 2HE LYS 35 -12.016 7.940 -19.668 244 HZ1 LYS 35 3HZ LYS 35 -11.177 8.397 -21.901 245 HZ2 LYS 35 1HZ LYS 35 -11.642 6.850 -22.405 246 HZ3 LYS 35 2HZ LYS 35 -10.437 7.030 -21.232 247 H VAL 36 H VAL 36 -16.179 6.220 -16.115 248 HA VAL 36 HA VAL 36 -16.042 4.157 -14.140 249 HB VAL 36 HB VAL 36 -17.933 5.812 -14.386 250 HG11 VAL 36 1HG1 VAL 36 -18.193 5.615 -16.820 251 HG12 VAL 36 2HG1 VAL 36 -18.765 3.958 -16.617 252 HG13 VAL 36 3HG1 VAL 36 -19.705 5.303 -15.969 253 HG21 VAL 36 3HG2 VAL 36 -19.379 3.299 -14.430 254 HG22 VAL 36 1HG2 VAL 36 -17.908 3.202 -13.462 255 HG23 VAL 36 2HG2 VAL 36 -19.122 4.430 -13.102 256 H PHE 37 H PHE 37 -16.492 1.977 -14.338 257 HA PHE 37 HA PHE 37 -16.666 0.917 -17.078 258 HB2 PHE 37 1HB PHE 37 -14.702 0.299 -14.936 259 HB3 PHE 37 2HB PHE 37 -15.292 -1.057 -15.891 260 HD1 PHE 37 HD1 PHE 37 -13.794 2.327 -16.241 261 HD2 PHE 37 HD2 PHE 37 -14.318 -1.544 -17.932 262 HE1 PHE 37 HE1 PHE 37 -12.192 2.892 -18.021 263 HE2 PHE 37 HE2 PHE 37 -12.716 -0.986 -19.714 264 HZ PHE 37 HZ PHE 37 -11.650 1.234 -19.760 265 H ASP 38 H ASP 38 -16.975 -1.685 -16.704 266 HA ASP 38 HA ASP 38 -19.626 -1.996 -15.913 267 HB2 ASP 38 1HB ASP 38 -17.981 -3.532 -17.318 268 HB3 ASP 38 2HB ASP 38 -17.791 -4.346 -15.767 269 H SER 39 H SER 39 -20.630 -2.506 -14.047 270 HA SER 39 HA SER 39 -18.939 -3.023 -11.690 271 HB2 SER 39 1HB SER 39 -20.639 -1.754 -10.359 272 HB3 SER 39 2HB SER 39 -19.767 -0.758 -11.525 273 HG SER 39 HG SER 39 -22.108 -0.477 -11.468 274 H SER 40 H SER 40 -19.852 -4.330 -10.041 275 HA SER 40 HA SER 40 -21.544 -6.416 -11.065 276 HB2 SER 40 1HB SER 40 -19.579 -6.253 -9.095 277 HB3 SER 40 2HB SER 40 -21.072 -6.524 -8.196 278 HG SER 40 HG SER 40 -20.282 -8.514 -8.758 279 H ARG 41 H ARG 41 -22.051 -3.486 -9.436 280 HA ARG 41 HA ARG 41 -24.431 -4.255 -8.020 281 HB2 ARG 41 1HB ARG 41 -23.429 -1.490 -8.721 282 HB3 ARG 41 2HB ARG 41 -24.670 -1.876 -7.538 283 HG2 ARG 41 1HG ARG 41 -23.169 -2.589 -5.985 284 HG3 ARG 41 2HG ARG 41 -22.005 -3.129 -7.196 285 HD2 ARG 41 1HD ARG 41 -21.123 -1.204 -6.046 286 HD3 ARG 41 2HD ARG 41 -21.502 -0.765 -7.711 287 HE ARG 41 HE ARG 41 -23.699 -0.177 -6.045 288 HH11 ARG 41 1HH1 ARG 41 -20.476 0.920 -6.774 289 HH12 ARG 41 2HH1 ARG 41 -20.796 2.565 -6.334 290 HH21 ARG 41 1HH2 ARG 41 -24.133 1.985 -5.463 291 HH22 ARG 41 2HH2 ARG 41 -22.876 3.169 -5.587 292 H THR 42 H THR 42 -23.652 -3.014 -11.174 293 HA THR 42 HA THR 42 -26.026 -1.875 -11.990 294 HB THR 42 HB THR 42 -24.162 -3.607 -13.626 295 HG1 THR 42 HG1 THR 42 -23.255 -1.601 -14.196 296 HG21 THR 42 3HG2 THR 42 -26.450 -1.819 -14.401 297 HG22 THR 42 1HG2 THR 42 -26.129 -3.478 -14.902 298 HG23 THR 42 2HG2 THR 42 -25.128 -2.163 -15.516 299 H ARG 43 H ARG 43 -25.271 -5.242 -11.492 300 HA ARG 43 HA ARG 43 -27.933 -5.987 -12.504 301 HB2 ARG 43 1HB ARG 43 -26.117 -7.152 -13.632 302 HB3 ARG 43 2HB ARG 43 -25.469 -7.686 -12.087 303 HG2 ARG 43 1HG ARG 43 -27.267 -9.159 -11.724 304 HG3 ARG 43 2HG ARG 43 -28.225 -8.428 -13.013 305 HD2 ARG 43 1HD ARG 43 -26.707 -9.281 -14.682 306 HD3 ARG 43 2HD ARG 43 -25.627 -9.899 -13.433 307 HE ARG 43 HE ARG 43 -28.197 -11.017 -13.118 308 HH11 ARG 43 1HH1 ARG 43 -25.408 -11.160 -15.197 309 HH12 ARG 43 2HH1 ARG 43 -25.686 -12.802 -15.675 310 HH21 ARG 43 1HH2 ARG 43 -28.574 -13.179 -13.740 311 HH22 ARG 43 2HH2 ARG 43 -27.488 -13.949 -14.847 312 H GLY 44 H GLY 44 -26.116 -5.537 -9.695 313 HA2 GLY 44 1HA GLY 44 -26.851 -5.701 -7.496 314 HA3 GLY 44 2HA GLY 44 -28.272 -6.563 -8.065 315 H LYS 45 H LYS 45 -25.057 -7.566 -8.958 316 HA LYS 45 HA LYS 45 -25.383 -9.937 -7.238 317 HB2 LYS 45 1HB LYS 45 -23.895 -11.075 -8.928 318 HB3 LYS 45 2HB LYS 45 -25.494 -10.631 -9.511 319 HG2 LYS 45 1HG LYS 45 -24.683 -9.178 -11.019 320 HG3 LYS 45 2HG LYS 45 -23.403 -8.612 -9.943 321 HD2 LYS 45 1HD LYS 45 -22.434 -9.746 -11.852 322 HD3 LYS 45 2HD LYS 45 -22.149 -10.689 -10.388 323 HE2 LYS 45 1HE LYS 45 -23.805 -12.266 -10.963 324 HE3 LYS 45 2HE LYS 45 -24.477 -11.221 -12.214 325 HZ1 LYS 45 3HZ LYS 45 -21.845 -12.594 -12.281 326 HZ2 LYS 45 1HZ LYS 45 -22.377 -11.489 -13.446 327 HZ3 LYS 45 2HZ LYS 45 -23.198 -12.952 -13.231 328 HA PRO 46 HA PRO 46 -21.720 -7.839 -5.486 329 HB2 PRO 46 1HB PRO 46 -22.080 -8.853 -2.994 330 HB3 PRO 46 2HB PRO 46 -22.924 -7.413 -3.576 331 HG2 PRO 46 1HG PRO 46 -23.897 -10.239 -3.402 332 HG3 PRO 46 2HG PRO 46 -24.742 -8.737 -2.984 333 HD2 PRO 46 1HD PRO 46 -25.168 -10.047 -5.315 334 HD3 PRO 46 2HD PRO 46 -25.281 -8.281 -5.178 335 H PHE 47 H PHE 47 -19.703 -8.655 -5.003 336 HA PHE 47 HA PHE 47 -19.324 -11.484 -5.575 337 HB2 PHE 47 1HB PHE 47 -17.948 -9.398 -6.478 338 HB3 PHE 47 2HB PHE 47 -17.031 -9.667 -4.999 339 HD1 PHE 47 HD1 PHE 47 -18.318 -11.477 -7.986 340 HD2 PHE 47 HD2 PHE 47 -15.302 -11.195 -4.995 341 HE1 PHE 47 HE1 PHE 47 -17.044 -13.258 -9.107 342 HE2 PHE 47 HE2 PHE 47 -14.023 -12.975 -6.112 343 HZ PHE 47 HZ PHE 47 -14.893 -14.009 -8.172 344 H ARG 48 H ARG 48 -18.819 -12.982 -4.104 345 HA ARG 48 HA ARG 48 -18.022 -12.079 -1.416 346 HB2 ARG 48 1HB ARG 48 -19.321 -13.973 -0.489 347 HB3 ARG 48 2HB ARG 48 -20.331 -12.796 -1.317 348 HG2 ARG 48 1HG ARG 48 -20.969 -14.259 -2.899 349 HG3 ARG 48 2HG ARG 48 -19.383 -15.029 -2.977 350 HD2 ARG 48 1HD ARG 48 -19.898 -16.117 -0.784 351 HD3 ARG 48 2HD ARG 48 -21.534 -15.472 -0.913 352 HE ARG 48 HE ARG 48 -22.015 -17.090 -2.463 353 HH11 ARG 48 1HH1 ARG 48 -18.567 -16.906 -2.026 354 HH12 ARG 48 2HH1 ARG 48 -18.241 -18.325 -2.964 355 HH21 ARG 48 1HH2 ARG 48 -21.599 -18.961 -3.700 356 HH22 ARG 48 2HH2 ARG 48 -19.966 -19.493 -3.917 357 H PHE 49 H PHE 49 -16.416 -13.204 -0.410 358 HA PHE 49 HA PHE 49 -15.545 -15.786 -1.210 359 HB2 PHE 49 1HB PHE 49 -13.347 -15.157 -2.128 360 HB3 PHE 49 2HB PHE 49 -14.664 -14.565 -3.135 361 HD1 PHE 49 HD1 PHE 49 -15.161 -12.193 -3.266 362 HD2 PHE 49 HD2 PHE 49 -11.930 -13.645 -0.907 363 HE1 PHE 49 HE1 PHE 49 -14.241 -9.915 -3.131 364 HE2 PHE 49 HE2 PHE 49 -11.005 -11.370 -0.767 365 HZ PHE 49 HZ PHE 49 -12.161 -9.501 -1.879 366 H THR 50 H THR 50 -13.230 -16.183 -0.233 367 HA THR 50 HA THR 50 -13.396 -15.286 2.530 368 HB THR 50 HB THR 50 -11.521 -17.309 1.289 369 HG1 THR 50 HG1 THR 50 -13.054 -18.750 2.490 370 HG21 THR 50 3HG2 THR 50 -12.213 -16.763 4.178 371 HG22 THR 50 1HG2 THR 50 -10.687 -16.362 3.392 372 HG23 THR 50 2HG2 THR 50 -11.159 -18.049 3.594 373 H VAL 51 H VAL 51 -12.387 -13.471 3.076 374 HA VAL 51 HA VAL 51 -10.386 -12.207 1.564 375 HB VAL 51 HB VAL 51 -10.861 -11.799 4.516 376 HG11 VAL 51 1HG1 VAL 51 -9.399 -10.363 2.396 377 HG12 VAL 51 2HG1 VAL 51 -10.358 -9.363 3.488 378 HG13 VAL 51 3HG1 VAL 51 -9.109 -10.428 4.134 379 HG21 VAL 51 3HG2 VAL 51 -13.007 -11.513 3.757 380 HG22 VAL 51 1HG2 VAL 51 -12.363 -9.891 3.501 381 HG23 VAL 51 2HG2 VAL 51 -12.489 -11.015 2.147 382 H GLY 52 H GLY 52 -8.504 -13.222 1.160 383 HA2 GLY 52 1HA GLY 52 -6.252 -13.334 2.279 384 HA3 GLY 52 2HA GLY 52 -7.048 -14.356 3.467 385 H ARG 53 H ARG 53 -8.637 -15.417 1.011 386 HA ARG 53 HA ARG 53 -6.905 -17.675 0.586 387 HB2 ARG 53 1HB ARG 53 -9.701 -16.958 -0.213 388 HB3 ARG 53 2HB ARG 53 -8.883 -18.289 -1.022 389 HG2 ARG 53 1HG ARG 53 -9.150 -18.115 1.965 390 HG3 ARG 53 2HG ARG 53 -10.345 -18.903 0.933 391 HD2 ARG 53 1HD ARG 53 -8.938 -20.629 0.388 392 HD3 ARG 53 2HD ARG 53 -7.484 -19.661 0.629 393 HE ARG 53 HE ARG 53 -7.427 -20.393 2.785 394 HH11 ARG 53 1HH1 ARG 53 -10.663 -20.792 1.566 395 HH12 ARG 53 2HH1 ARG 53 -11.237 -21.604 2.984 396 HH21 ARG 53 1HH2 ARG 53 -8.170 -21.461 4.658 397 HH22 ARG 53 2HH2 ARG 53 -9.819 -21.984 4.743 398 H GLY 54 H GLY 54 -6.717 -18.553 -1.727 399 HA2 GLY 54 1HA GLY 54 -5.524 -16.431 -3.337 400 HA3 GLY 54 2HA GLY 54 -5.307 -18.160 -3.567 401 H GLU 55 H GLU 55 -8.532 -17.090 -3.118 402 HA GLU 55 HA GLU 55 -9.188 -17.864 -5.827 403 HB2 GLU 55 1HB GLU 55 -10.936 -16.942 -3.539 404 HB3 GLU 55 2HB GLU 55 -11.534 -17.516 -5.090 405 HG2 GLU 55 1HG GLU 55 -9.947 -19.111 -3.092 406 HG3 GLU 55 2HG GLU 55 -11.673 -19.259 -3.421 407 H VAL 56 H VAL 56 -8.653 -14.962 -4.064 408 HA VAL 56 HA VAL 56 -9.709 -13.383 -6.320 409 HB VAL 56 HB VAL 56 -9.804 -11.475 -4.658 410 HG11 VAL 56 1HG1 VAL 56 -11.652 -13.625 -3.743 411 HG12 VAL 56 2HG1 VAL 56 -11.991 -11.941 -4.147 412 HG13 VAL 56 3HG1 VAL 56 -11.703 -13.116 -5.430 413 HG21 VAL 56 3HG2 VAL 56 -8.438 -13.199 -3.023 414 HG22 VAL 56 1HG2 VAL 56 -9.277 -11.739 -2.498 415 HG23 VAL 56 2HG2 VAL 56 -10.083 -13.304 -2.398 416 H ILE 57 H ILE 57 -8.585 -11.035 -6.104 417 HA ILE 57 HA ILE 57 -5.750 -11.581 -6.512 418 HB ILE 57 HB ILE 57 -5.677 -9.270 -7.436 419 HG12 ILE 57 1HG1 ILE 57 -8.630 -9.150 -7.595 420 HG13 ILE 57 2HG1 ILE 57 -7.934 -8.819 -6.012 421 HG21 ILE 57 1HG2 ILE 57 -7.869 -10.848 -8.750 422 HG22 ILE 57 2HG2 ILE 57 -6.633 -9.843 -9.505 423 HG23 ILE 57 3HG2 ILE 57 -6.187 -11.379 -8.763 424 HD11 ILE 57 3HD1 ILE 57 -6.383 -7.215 -7.378 425 HD12 ILE 57 1HD1 ILE 57 -7.700 -7.288 -8.548 426 HD13 ILE 57 2HD1 ILE 57 -8.008 -6.721 -6.906 427 H ARG 58 H ARG 58 -4.149 -9.987 -5.728 428 HA ARG 58 HA ARG 58 -4.164 -9.757 -2.963 429 HB2 ARG 58 1HB ARG 58 -2.623 -7.965 -4.844 430 HB3 ARG 58 2HB ARG 58 -2.201 -8.383 -3.189 431 HG2 ARG 58 1HG ARG 58 -2.234 -10.235 -5.561 432 HG3 ARG 58 2HG ARG 58 -0.813 -9.615 -4.717 433 HD2 ARG 58 1HD ARG 58 -1.759 -10.731 -2.636 434 HD3 ARG 58 2HD ARG 58 -2.877 -11.560 -3.719 435 HE ARG 58 HE ARG 58 -0.166 -11.850 -4.555 436 HH11 ARG 58 1HH1 ARG 58 -2.551 -13.040 -2.317 437 HH12 ARG 58 2HH1 ARG 58 -1.812 -14.599 -2.156 438 HH21 ARG 58 1HH2 ARG 58 0.817 -13.898 -4.352 439 HH22 ARG 58 2HH2 ARG 58 0.104 -15.085 -3.313 440 H GLY 59 H GLY 59 -4.839 -7.243 -5.395 441 HA2 GLY 59 1HA GLY 59 -5.243 -5.062 -3.787 442 HA3 GLY 59 2HA GLY 59 -6.160 -5.363 -5.256 443 H TRP 60 H TRP 60 -7.830 -7.310 -4.780 444 HA TRP 60 HA TRP 60 -9.833 -6.200 -3.187 445 HB2 TRP 60 1HB TRP 60 -9.426 -8.918 -4.396 446 HB3 TRP 60 2HB TRP 60 -10.801 -8.616 -3.337 447 HD1 TRP 60 HD1 TRP 60 -10.384 -5.469 -5.024 448 HE1 TRP 60 HE1 TRP 60 -11.897 -5.275 -7.097 449 HE3 TRP 60 HE3 TRP 60 -11.643 -10.394 -5.574 450 HZ2 TRP 60 HZ2 TRP 60 -13.423 -6.983 -8.747 451 HZ3 TRP 60 HZ3 TRP 60 -13.134 -11.030 -7.425 452 HH2 TRP 60 HH2 TRP 60 -14.005 -9.358 -8.977 453 H ASP 61 H ASP 61 -7.562 -8.831 -2.489 454 HA ASP 61 HA ASP 61 -8.502 -9.705 -0.062 455 HB2 ASP 61 1HB ASP 61 -6.357 -10.339 -1.499 456 HB3 ASP 61 2HB ASP 61 -5.558 -9.302 -0.320 457 H GLU 62 H GLU 62 -5.921 -7.261 -0.400 458 HA GLU 62 HA GLU 62 -6.042 -6.436 2.294 459 HB2 GLU 62 1HB GLU 62 -4.896 -5.170 -0.186 460 HB3 GLU 62 2HB GLU 62 -4.806 -4.383 1.383 461 HG2 GLU 62 1HG GLU 62 -3.771 -6.643 2.151 462 HG3 GLU 62 2HG GLU 62 -3.459 -6.865 0.430 463 H GLY 63 H GLY 63 -7.441 -5.062 -0.667 464 HA2 GLY 63 1HA GLY 63 -8.530 -2.733 0.322 465 HA3 GLY 63 2HA GLY 63 -9.260 -3.687 -0.959 466 H VAL 64 H VAL 64 -10.390 -5.756 -0.030 467 HA VAL 64 HA VAL 64 -12.573 -4.877 1.504 468 HB VAL 64 HB VAL 64 -12.597 -6.812 -0.091 469 HG11 VAL 64 1HG1 VAL 64 -10.462 -7.748 1.187 470 HG12 VAL 64 2HG1 VAL 64 -11.707 -8.620 2.084 471 HG13 VAL 64 3HG1 VAL 64 -11.587 -8.804 0.334 472 HG21 VAL 64 3HG2 VAL 64 -13.610 -7.637 2.614 473 HG22 VAL 64 1HG2 VAL 64 -14.335 -6.309 1.708 474 HG23 VAL 64 2HG2 VAL 64 -14.326 -7.938 1.031 475 H ALA 65 H ALA 65 -9.589 -6.494 2.382 476 HA ALA 65 HA ALA 65 -10.245 -7.367 4.948 477 HB1 ALA 65 1HB ALA 65 -8.223 -8.185 4.251 478 HB2 ALA 65 2HB ALA 65 -7.702 -6.638 3.582 479 HB3 ALA 65 3HB ALA 65 -7.688 -6.894 5.327 480 H GLN 66 H GLN 66 -9.255 -4.194 3.790 481 HA GLN 66 HA GLN 66 -9.363 -3.138 6.521 482 HB2 GLN 66 1HB GLN 66 -8.446 -1.808 3.965 483 HB3 GLN 66 2HB GLN 66 -8.346 -1.113 5.578 484 HG2 GLN 66 1HG GLN 66 -6.685 -2.615 6.248 485 HG3 GLN 66 2HG GLN 66 -7.006 -3.705 4.901 486 HE21 GLN 66 2HE2 GLN 66 -6.731 -2.575 2.700 487 HE22 GLN 66 1HE2 GLN 66 -5.289 -1.641 2.522 488 H MET 67 H MET 67 -11.744 -3.946 4.979 489 HA MET 67 HA MET 67 -13.087 -1.331 4.784 490 HB2 MET 67 1HB MET 67 -13.548 -3.921 3.326 491 HB3 MET 67 2HB MET 67 -14.807 -2.697 3.429 492 HG2 MET 67 1HG MET 67 -12.098 -1.912 2.478 493 HG3 MET 67 2HG MET 67 -13.176 -2.784 1.391 494 HE1 MET 67 3HE MET 67 -15.467 -1.990 0.631 495 HE2 MET 67 1HE MET 67 -16.100 -1.626 2.237 496 HE3 MET 67 2HE MET 67 -16.178 -0.410 0.962 497 H SER 68 H SER 68 -15.258 -1.183 5.580 498 HA SER 68 HA SER 68 -15.850 -3.161 7.684 499 HB2 SER 68 1HB SER 68 -17.063 -1.187 8.792 500 HB3 SER 68 2HB SER 68 -15.300 -1.158 8.812 501 HG SER 68 HG SER 68 -16.780 0.748 7.986 502 H VAL 69 H VAL 69 -17.979 -3.799 7.990 503 HA VAL 69 HA VAL 69 -19.590 -4.122 5.772 504 HB VAL 69 HB VAL 69 -20.443 -4.074 8.670 505 HG11 VAL 69 1HG1 VAL 69 -22.380 -3.825 7.261 506 HG12 VAL 69 2HG1 VAL 69 -21.847 -5.155 6.230 507 HG13 VAL 69 3HG1 VAL 69 -22.337 -5.469 7.895 508 HG21 VAL 69 3HG2 VAL 69 -19.736 -6.414 6.904 509 HG22 VAL 69 1HG2 VAL 69 -18.653 -5.693 8.094 510 HG23 VAL 69 2HG2 VAL 69 -20.150 -6.464 8.617 511 H GLY 70 H GLY 70 -20.895 -2.829 4.653 512 HA2 GLY 70 1HA GLY 70 -22.483 -1.177 4.256 513 HA3 GLY 70 2HA GLY 70 -22.386 -0.715 5.949 514 H GLN 71 H GLN 71 -19.346 -0.954 4.482 515 HA GLN 71 HA GLN 71 -19.220 1.976 4.261 516 HB2 GLN 71 1HB GLN 71 -17.731 0.642 5.907 517 HB3 GLN 71 2HB GLN 71 -16.822 0.177 4.475 518 HG2 GLN 71 1HG GLN 71 -17.081 2.920 4.240 519 HG3 GLN 71 2HG GLN 71 -16.803 2.658 5.961 520 HE21 GLN 71 2HE2 GLN 71 -15.473 2.480 2.783 521 HE22 GLN 71 1HE2 GLN 71 -13.850 2.115 3.250 522 H ARG 72 H ARG 72 -18.479 2.950 2.430 523 HA ARG 72 HA ARG 72 -17.782 1.185 0.176 524 HB2 ARG 72 1HB ARG 72 -20.027 2.090 -0.131 525 HB3 ARG 72 2HB ARG 72 -19.422 3.723 0.111 526 HG2 ARG 72 1HG ARG 72 -17.856 2.756 -1.943 527 HG3 ARG 72 2HG ARG 72 -19.453 2.085 -2.279 528 HD2 ARG 72 1HD ARG 72 -18.798 4.991 -1.809 529 HD3 ARG 72 2HD ARG 72 -19.176 4.247 -3.362 530 HE ARG 72 HE ARG 72 -21.240 3.882 -1.407 531 HH11 ARG 72 1HH1 ARG 72 -19.937 6.056 -3.794 532 HH12 ARG 72 2HH1 ARG 72 -21.442 6.872 -4.062 533 HH21 ARG 72 1HH2 ARG 72 -23.227 4.948 -1.751 534 HH22 ARG 72 2HH2 ARG 72 -23.312 6.242 -2.898 535 H ALA 73 H ALA 73 -16.004 1.695 -0.974 536 HA ALA 73 HA ALA 73 -14.880 4.345 -0.963 537 HB1 ALA 73 1HB ALA 73 -13.279 2.132 0.315 538 HB2 ALA 73 2HB ALA 73 -12.783 3.810 0.087 539 HB3 ALA 73 3HB ALA 73 -14.094 3.422 1.200 540 H LYS 74 H LYS 74 -12.735 4.349 -2.182 541 HA LYS 74 HA LYS 74 -13.053 2.628 -4.517 542 HB2 LYS 74 1HB LYS 74 -10.992 4.789 -4.338 543 HB3 LYS 74 2HB LYS 74 -11.899 4.227 -5.737 544 HG2 LYS 74 1HG LYS 74 -13.923 5.284 -4.821 545 HG3 LYS 74 2HG LYS 74 -12.967 5.895 -3.468 546 HD2 LYS 74 1HD LYS 74 -13.220 7.629 -5.135 547 HD3 LYS 74 2HD LYS 74 -11.534 7.110 -5.073 548 HE2 LYS 74 1HE LYS 74 -11.637 6.078 -7.124 549 HE3 LYS 74 2HE LYS 74 -13.374 5.795 -7.014 550 HZ1 LYS 74 3HZ LYS 74 -11.932 8.148 -7.948 551 HZ2 LYS 74 1HZ LYS 74 -13.357 8.431 -7.082 552 HZ3 LYS 74 2HZ LYS 74 -13.394 7.489 -8.486 553 H LEU 75 H LEU 75 -11.630 1.092 -5.126 554 HA LEU 75 HA LEU 75 -9.315 0.647 -3.366 555 HB2 LEU 75 1HB LEU 75 -11.149 -1.094 -3.522 556 HB3 LEU 75 2HB LEU 75 -10.608 -1.378 -5.175 557 HG LEU 75 HG LEU 75 -8.478 -2.174 -4.402 558 HD11 LEU 75 1HD1 LEU 75 -9.443 -1.399 -1.655 559 HD12 LEU 75 2HD1 LEU 75 -8.092 -0.699 -2.545 560 HD13 LEU 75 3HD1 LEU 75 -8.004 -2.366 -1.978 561 HD21 LEU 75 3HD2 LEU 75 -10.607 -3.628 -4.306 562 HD22 LEU 75 1HD2 LEU 75 -10.445 -3.475 -2.556 563 HD23 LEU 75 2HD2 LEU 75 -9.148 -4.207 -3.500 564 H VAL 76 H VAL 76 -7.738 1.816 -4.387 565 HA VAL 76 HA VAL 76 -7.256 1.321 -7.234 566 HB VAL 76 HB VAL 76 -7.251 3.646 -6.696 567 HG11 VAL 76 1HG1 VAL 76 -5.993 2.745 -4.267 568 HG12 VAL 76 2HG1 VAL 76 -5.078 4.068 -4.992 569 HG13 VAL 76 3HG1 VAL 76 -6.789 4.279 -4.616 570 HG21 VAL 76 3HG2 VAL 76 -4.341 3.430 -6.757 571 HG22 VAL 76 1HG2 VAL 76 -5.148 2.382 -7.923 572 HG23 VAL 76 2HG2 VAL 76 -5.452 4.119 -7.942 573 H CYS 77 H CYS 77 -6.110 -0.497 -7.528 574 HA CYS 77 HA CYS 77 -3.610 -0.787 -5.999 575 HB2 CYS 77 1HB CYS 77 -5.425 -2.455 -5.393 576 HB3 CYS 77 2HB CYS 77 -5.257 -3.101 -7.020 577 HG CYS 77 HG CYS 77 -3.667 -4.033 -4.417 578 H SER 78 H SER 78 -1.883 -1.891 -7.117 579 HA SER 78 HA SER 78 -1.716 -1.081 -9.866 580 HB2 SER 78 1HB SER 78 0.481 -2.750 -9.215 581 HB3 SER 78 2HB SER 78 0.453 -0.989 -9.316 582 HG SER 78 HG SER 78 0.860 -2.411 -7.179 583 HA PRO 79 HA PRO 79 -2.636 -4.800 -12.002 584 HB2 PRO 79 1HB PRO 79 -0.622 -5.031 -13.808 585 HB3 PRO 79 2HB PRO 79 -1.889 -3.804 -13.933 586 HG2 PRO 79 1HG PRO 79 0.900 -3.546 -12.876 587 HG3 PRO 79 2HG PRO 79 -0.005 -2.442 -13.928 588 HD2 PRO 79 1HD PRO 79 0.280 -2.015 -11.269 589 HD3 PRO 79 2HD PRO 79 -1.168 -1.516 -12.167 590 H ASP 80 H ASP 80 0.641 -4.582 -10.734 591 HA ASP 80 HA ASP 80 1.359 -7.288 -11.045 592 HB2 ASP 80 1HB ASP 80 2.830 -5.242 -10.437 593 HB3 ASP 80 2HB ASP 80 2.351 -5.583 -8.777 594 H TYR 81 H TYR 81 -0.715 -5.691 -8.809 595 HA TYR 81 HA TYR 81 -0.801 -8.091 -7.108 596 HB2 TYR 81 1HB TYR 81 -1.064 -5.213 -6.565 597 HB3 TYR 81 2HB TYR 81 -2.268 -6.214 -5.762 598 HD1 TYR 81 HD2 TYR 81 1.194 -7.264 -6.521 599 HD2 TYR 81 HD1 TYR 81 -1.521 -5.940 -3.524 600 HE1 TYR 81 HE2 TYR 81 2.838 -7.841 -4.785 601 HE2 TYR 81 HE1 TYR 81 0.116 -6.513 -1.780 602 HH TYR 81 HH TYR 81 3.272 -6.978 -2.302 603 H ALA 82 H ALA 82 -2.197 -7.333 -9.760 604 HA ALA 82 HA ALA 82 -4.744 -8.502 -9.031 605 HB1 ALA 82 1HB ALA 82 -4.814 -5.912 -10.549 606 HB2 ALA 82 2HB ALA 82 -6.148 -6.787 -9.797 607 HB3 ALA 82 3HB ALA 82 -4.951 -5.971 -8.792 608 H TYR 83 H TYR 83 -6.114 -8.062 -11.390 609 HA TYR 83 HA TYR 83 -4.560 -9.716 -13.215 610 HB2 TYR 83 1HB TYR 83 -6.793 -9.816 -14.456 611 HB3 TYR 83 2HB TYR 83 -6.735 -10.564 -12.864 612 HD1 TYR 83 HD2 TYR 83 -7.449 -7.185 -14.310 613 HD2 TYR 83 HD1 TYR 83 -8.558 -10.192 -11.512 614 HE1 TYR 83 HE2 TYR 83 -9.362 -5.812 -13.602 615 HE2 TYR 83 HE1 TYR 83 -10.476 -8.828 -10.797 616 HH TYR 83 HH TYR 83 -10.919 -6.078 -10.903 617 H GLY 84 H GLY 84 -4.343 -6.663 -12.767 618 HA2 GLY 84 1HA GLY 84 -5.142 -5.430 -15.199 619 HA3 GLY 84 2HA GLY 84 -3.989 -4.782 -14.041 620 H SER 85 H SER 85 -2.391 -7.335 -14.315 621 HA SER 85 HA SER 85 -0.416 -6.468 -16.008 622 HB2 SER 85 1HB SER 85 0.181 -8.983 -16.181 623 HB3 SER 85 2HB SER 85 0.171 -8.238 -14.583 624 HG SER 85 HG SER 85 -0.960 -10.308 -14.792 625 H ARG 86 H ARG 86 -2.468 -9.247 -16.876 626 HA ARG 86 HA ARG 86 -1.901 -9.018 -19.641 627 HB2 ARG 86 1HB ARG 86 -2.565 -11.135 -18.546 628 HB3 ARG 86 2HB ARG 86 -4.176 -10.479 -18.290 629 HG2 ARG 86 1HG ARG 86 -3.883 -10.131 -20.967 630 HG3 ARG 86 2HG ARG 86 -2.961 -11.611 -20.700 631 HD2 ARG 86 1HD ARG 86 -5.836 -11.091 -19.962 632 HD3 ARG 86 2HD ARG 86 -5.237 -12.196 -21.198 633 HE ARG 86 HE ARG 86 -4.097 -13.007 -18.817 634 HH11 ARG 86 1HH1 ARG 86 -7.306 -12.645 -20.118 635 HH12 ARG 86 2HH1 ARG 86 -7.979 -13.924 -19.162 636 HH21 ARG 86 1HH2 ARG 86 -4.972 -14.693 -17.553 637 HH22 ARG 86 2HH2 ARG 86 -6.651 -15.087 -17.703 638 H GLY 87 H GLY 87 -4.962 -8.472 -17.879 639 HA2 GLY 87 1HA GLY 87 -6.696 -7.024 -18.289 640 HA3 GLY 87 2HA GLY 87 -5.552 -6.048 -19.198 641 H HIS 88 H HIS 88 -7.578 -5.692 -20.479 642 HA HIS 88 HA HIS 88 -7.534 -7.469 -22.771 643 HB2 HIS 88 1HB HIS 88 -9.846 -7.247 -20.911 644 HB3 HIS 88 2HB HIS 88 -10.198 -7.295 -22.636 645 HD1 HIS 88 HD1 HIS 88 -8.273 -9.376 -23.644 646 HD2 HIS 88 HD2 HIS 88 -10.331 -9.765 -20.056 647 HE1 HIS 88 HE1 HIS 88 -8.322 -11.844 -23.162 648 HA PRO 89 HA PRO 89 -8.150 -3.748 -25.012 649 HB2 PRO 89 1HB PRO 89 -9.529 -4.632 -27.177 650 HB3 PRO 89 2HB PRO 89 -7.813 -4.975 -26.925 651 HG2 PRO 89 1HG PRO 89 -10.191 -6.712 -26.387 652 HG3 PRO 89 2HG PRO 89 -8.635 -7.141 -27.122 653 HD2 PRO 89 1HD PRO 89 -9.220 -7.676 -24.533 654 HD3 PRO 89 2HD PRO 89 -7.574 -7.303 -25.082 655 H GLY 90 H GLY 90 -9.470 -2.200 -24.274 656 HA2 GLY 90 1HA GLY 90 -11.430 -0.945 -24.231 657 HA3 GLY 90 2HA GLY 90 -12.290 -2.314 -24.922 658 H VAL 91 H VAL 91 -10.471 -3.354 -22.329 659 HA VAL 91 HA VAL 91 -12.685 -2.932 -20.434 660 HB VAL 91 HB VAL 91 -11.149 -5.517 -20.702 661 HG11 VAL 91 1HG1 VAL 91 -13.730 -5.069 -19.238 662 HG12 VAL 91 2HG1 VAL 91 -12.582 -6.400 -19.077 663 HG13 VAL 91 3HG1 VAL 91 -12.168 -4.798 -18.466 664 HG21 VAL 91 3HG2 VAL 91 -13.644 -4.565 -21.994 665 HG22 VAL 91 1HG2 VAL 91 -12.413 -5.680 -22.588 666 HG23 VAL 91 2HG2 VAL 91 -13.609 -6.231 -21.415 667 H ILE 92 H ILE 92 -9.389 -4.301 -20.555 668 HA ILE 92 HA ILE 92 -8.691 -2.599 -18.261 669 HB ILE 92 HB ILE 92 -7.948 -5.511 -18.569 670 HG12 ILE 92 1HG1 ILE 92 -9.629 -4.129 -16.466 671 HG13 ILE 92 2HG1 ILE 92 -10.271 -5.089 -17.794 672 HG21 ILE 92 1HG2 ILE 92 -6.739 -5.296 -16.506 673 HG22 ILE 92 2HG2 ILE 92 -6.143 -4.083 -17.637 674 HG23 ILE 92 3HG2 ILE 92 -7.239 -3.614 -16.338 675 HD11 ILE 92 3HD1 ILE 92 -8.355 -6.207 -15.776 676 HD12 ILE 92 1HD1 ILE 92 -10.103 -6.223 -15.547 677 HD13 ILE 92 2HD1 ILE 92 -9.384 -7.079 -16.912 678 HA PRO 93 HA PRO 93 -5.292 -1.485 -20.859 679 HB2 PRO 93 1HB PRO 93 -3.813 -0.203 -18.977 680 HB3 PRO 93 2HB PRO 93 -5.267 0.498 -19.698 681 HG2 PRO 93 1HG PRO 93 -4.939 -0.894 -17.068 682 HG3 PRO 93 2HG PRO 93 -5.851 0.579 -17.449 683 HD2 PRO 93 1HD PRO 93 -7.039 -1.838 -17.168 684 HD3 PRO 93 2HD PRO 93 -7.648 -0.598 -18.283 685 HA PRO 94 HA PRO 94 -2.131 -4.493 -20.284 686 HB2 PRO 94 1HB PRO 94 0.001 -3.224 -21.385 687 HB3 PRO 94 2HB PRO 94 -1.333 -3.872 -22.347 688 HG2 PRO 94 1HG PRO 94 -0.834 -1.059 -21.452 689 HG3 PRO 94 2HG PRO 94 -1.380 -1.650 -23.032 690 HD2 PRO 94 1HD PRO 94 -3.080 -0.612 -21.198 691 HD3 PRO 94 2HD PRO 94 -3.561 -1.894 -22.327 692 H ASN 95 H ASN 95 -1.767 -4.709 -18.102 693 HA ASN 95 HA ASN 95 -0.817 -4.408 -16.047 694 HB2 ASN 95 1HB ASN 95 1.638 -3.364 -17.410 695 HB3 ASN 95 2HB ASN 95 1.505 -4.489 -16.062 696 HD21 ASN 95 2HD2 ASN 95 1.208 -4.120 -19.523 697 HD22 ASN 95 1HD2 ASN 95 1.349 -5.798 -19.908 698 H ALA 96 H ALA 96 -2.424 -2.440 -16.158 699 HA ALA 96 HA ALA 96 -0.869 -0.060 -15.391 700 HB1 ALA 96 1HB ALA 96 -3.544 0.462 -16.484 701 HB2 ALA 96 2HB ALA 96 -2.025 1.323 -16.732 702 HB3 ALA 96 3HB ALA 96 -2.366 -0.145 -17.648 703 H THR 97 H THR 97 -1.641 1.123 -13.655 704 HA THR 97 HA THR 97 -2.935 -0.238 -11.610 705 HB THR 97 HB THR 97 -3.117 2.749 -11.745 706 HG1 THR 97 HG1 THR 97 -0.767 1.177 -11.624 707 HG21 THR 97 3HG2 THR 97 -2.169 1.011 -9.483 708 HG22 THR 97 1HG2 THR 97 -3.884 1.287 -9.784 709 HG23 THR 97 2HG2 THR 97 -2.823 2.647 -9.416 710 H LEU 98 H LEU 98 -5.012 -0.241 -10.793 711 HA LEU 98 HA LEU 98 -7.089 1.095 -12.379 712 HB2 LEU 98 1HB LEU 98 -7.441 -1.708 -11.370 713 HB3 LEU 98 2HB LEU 98 -8.417 -0.833 -12.549 714 HG LEU 98 HG LEU 98 -5.573 -1.659 -13.085 715 HD11 LEU 98 1HD1 LEU 98 -7.659 -3.420 -12.667 716 HD12 LEU 98 2HD1 LEU 98 -6.175 -3.748 -13.559 717 HD13 LEU 98 3HD1 LEU 98 -7.621 -3.220 -14.419 718 HD21 LEU 98 3HD2 LEU 98 -7.669 -1.288 -15.159 719 HD22 LEU 98 1HD2 LEU 98 -5.931 -0.999 -15.240 720 HD23 LEU 98 2HD2 LEU 98 -6.978 0.148 -14.403 721 H THR 99 H THR 99 -9.031 1.539 -11.256 722 HA THR 99 HA THR 99 -8.860 1.245 -8.329 723 HB THR 99 HB THR 99 -9.866 3.672 -9.830 724 HG1 THR 99 HG1 THR 99 -7.680 3.822 -9.799 725 HG21 THR 99 3HG2 THR 99 -11.179 3.674 -7.934 726 HG22 THR 99 1HG2 THR 99 -9.766 4.561 -7.363 727 HG23 THR 99 2HG2 THR 99 -9.959 2.856 -6.958 728 H PHE 100 H PHE 100 -10.338 -0.326 -7.988 729 HA PHE 100 HA PHE 100 -12.972 -0.074 -9.257 730 HB2 PHE 100 1HB PHE 100 -11.510 -2.375 -7.987 731 HB3 PHE 100 2HB PHE 100 -13.252 -2.435 -8.236 732 HD1 PHE 100 HD1 PHE 100 -10.252 -1.423 -10.218 733 HD2 PHE 100 HD2 PHE 100 -13.916 -3.586 -10.095 734 HE1 PHE 100 HE1 PHE 100 -9.889 -2.163 -12.537 735 HE2 PHE 100 HE2 PHE 100 -13.558 -4.331 -12.412 736 HZ PHE 100 HZ PHE 100 -11.543 -3.620 -13.636 737 H ASP 101 H ASP 101 -14.621 0.700 -8.131 738 HA ASP 101 HA ASP 101 -14.372 1.436 -5.400 739 HB2 ASP 101 1HB ASP 101 -16.276 1.826 -7.547 740 HB3 ASP 101 2HB ASP 101 -17.101 1.467 -6.032 741 H VAL 102 H VAL 102 -14.431 0.073 -3.748 742 HA VAL 102 HA VAL 102 -16.173 -2.297 -3.932 743 HB VAL 102 HB VAL 102 -13.711 -1.891 -2.227 744 HG11 VAL 102 1HG1 VAL 102 -14.565 -3.491 -0.936 745 HG12 VAL 102 2HG1 VAL 102 -15.904 -3.769 -2.052 746 HG13 VAL 102 3HG1 VAL 102 -14.363 -4.591 -2.299 747 HG21 VAL 102 3HG2 VAL 102 -14.070 -3.843 -4.486 748 HG22 VAL 102 1HG2 VAL 102 -13.408 -2.226 -4.726 749 HG23 VAL 102 2HG2 VAL 102 -12.578 -3.371 -3.672 750 H GLU 103 H GLU 103 -17.788 -2.534 -2.512 751 HA GLU 103 HA GLU 103 -17.799 -0.849 -0.102 752 HB2 GLU 103 1HB GLU 103 -20.137 -0.332 -0.407 753 HB3 GLU 103 2HB GLU 103 -19.254 0.145 -1.850 754 HG2 GLU 103 1HG GLU 103 -19.963 -2.027 -2.883 755 HG3 GLU 103 2HG GLU 103 -21.018 -2.260 -1.489 756 H LEU 104 H LEU 104 -18.041 -2.012 1.681 757 HA LEU 104 HA LEU 104 -18.548 -4.800 1.618 758 HB2 LEU 104 1HB LEU 104 -17.314 -3.216 3.360 759 HB3 LEU 104 2HB LEU 104 -18.893 -3.275 4.141 760 HG LEU 104 HG LEU 104 -17.602 -4.939 5.185 761 HD11 LEU 104 1HD1 LEU 104 -19.037 -6.558 3.114 762 HD12 LEU 104 2HD1 LEU 104 -19.923 -5.570 4.274 763 HD13 LEU 104 3HD1 LEU 104 -18.865 -6.860 4.843 764 HD21 LEU 104 3HD2 LEU 104 -16.834 -6.707 3.118 765 HD22 LEU 104 1HD2 LEU 104 -15.800 -5.774 4.200 766 HD23 LEU 104 2HD2 LEU 104 -16.302 -5.090 2.654 767 H LEU 105 H LEU 105 -20.380 -5.933 1.849 768 HA LEU 105 HA LEU 105 -22.856 -4.422 2.358 769 HB2 LEU 105 1HB LEU 105 -22.144 -6.567 0.472 770 HB3 LEU 105 2HB LEU 105 -23.712 -6.744 1.259 771 HG LEU 105 HG LEU 105 -24.063 -4.279 0.452 772 HD11 LEU 105 1HD1 LEU 105 -21.758 -3.991 -0.348 773 HD12 LEU 105 2HD1 LEU 105 -22.943 -3.775 -1.635 774 HD13 LEU 105 3HD1 LEU 105 -22.020 -5.274 -1.529 775 HD21 LEU 105 3HD2 LEU 105 -25.434 -6.122 -0.272 776 HD22 LEU 105 1HD2 LEU 105 -24.167 -6.685 -1.362 777 HD23 LEU 105 2HD2 LEU 105 -24.983 -5.152 -1.675 778 H ARG 106 H ARG 106 -21.074 -7.368 3.095 779 HA ARG 106 HA ARG 106 -22.199 -7.545 5.696 780 HB2 ARG 106 1HB ARG 106 -23.216 -9.859 5.297 781 HB3 ARG 106 2HB ARG 106 -24.141 -8.468 4.748 782 HG2 ARG 106 1HG ARG 106 -23.224 -8.843 2.464 783 HG3 ARG 106 2HG ARG 106 -22.484 -10.329 3.063 784 HD2 ARG 106 1HD ARG 106 -24.675 -10.656 1.913 785 HD3 ARG 106 2HD ARG 106 -24.619 -11.274 3.564 786 HE ARG 106 HE ARG 106 -26.207 -9.732 4.163 787 HH11 ARG 106 1HH1 ARG 106 -24.907 -8.898 1.043 788 HH12 ARG 106 2HH1 ARG 106 -26.079 -7.658 0.741 789 HH21 ARG 106 1HH2 ARG 106 -27.755 -8.103 3.777 790 HH22 ARG 106 2HH2 ARG 106 -27.698 -7.206 2.298 791 H VAL 107 H VAL 107 -21.363 -9.415 6.905 792 HA VAL 107 HA VAL 107 -18.938 -10.551 5.676 793 HB VAL 107 HB VAL 107 -18.393 -8.738 7.295 794 HG11 VAL 107 1HG1 VAL 107 -18.930 -8.832 9.546 795 HG12 VAL 107 2HG1 VAL 107 -20.405 -9.427 8.781 796 HG13 VAL 107 3HG1 VAL 107 -19.262 -10.563 9.499 797 HG21 VAL 107 3HG2 VAL 107 -16.588 -9.874 8.263 798 HG22 VAL 107 1HG2 VAL 107 -17.496 -11.380 8.401 799 HG23 VAL 107 2HG2 VAL 107 -16.966 -10.811 6.818 800 H GLU 108 H GLU 108 -18.392 -12.650 6.249 801 HA GLU 108 HA GLU 108 -20.152 -14.079 8.093 802 HB2 GLU 108 1HB GLU 108 -19.718 -14.838 5.203 803 HB3 GLU 108 2HB GLU 108 -20.377 -15.937 6.406 804 HG2 GLU 108 1HG GLU 108 -21.675 -13.290 6.075 805 HG3 GLU 108 2HG GLU 108 -21.925 -14.506 4.824 Start of MODEL 9 1 H1 MET 1 H MET 1 2.358 -2.468 0.402 2 HA MET 1 HA MET 1 1.156 0.058 -0.310 3 HB2 MET 1 1HB MET 1 2.974 0.589 -1.968 4 HB3 MET 1 2HB MET 1 3.416 0.814 -0.281 5 HG2 MET 1 1HG MET 1 4.733 -1.136 -0.259 6 HG3 MET 1 2HG MET 1 4.063 -1.696 -1.789 7 HE1 MET 1 3HE MET 1 4.530 -0.807 -4.016 8 HE2 MET 1 1HE MET 1 6.129 -0.201 -4.449 9 HE3 MET 1 2HE MET 1 5.963 -1.783 -3.687 10 H GLY 2 H GLY 2 1.216 0.159 -2.906 11 HA2 GLY 2 1HA GLY 2 1.015 -1.080 -4.932 12 HA3 GLY 2 2HA GLY 2 0.806 -2.543 -3.981 13 H VAL 3 H VAL 3 -1.103 -0.835 -2.253 14 HA VAL 3 HA VAL 3 -3.365 -0.545 -4.062 15 HB VAL 3 HB VAL 3 -3.533 -2.886 -3.474 16 HG11 VAL 3 1HG1 VAL 3 -4.079 -2.705 -0.668 17 HG12 VAL 3 2HG1 VAL 3 -2.880 -3.690 -1.509 18 HG13 VAL 3 3HG1 VAL 3 -2.479 -2.047 -1.006 19 HG21 VAL 3 3HG2 VAL 3 -5.608 -1.878 -1.660 20 HG22 VAL 3 1HG2 VAL 3 -5.528 -1.059 -3.220 21 HG23 VAL 3 2HG2 VAL 3 -5.756 -2.806 -3.152 22 H GLN 4 H GLN 4 -4.468 1.215 -3.521 23 HA GLN 4 HA GLN 4 -4.295 2.174 -0.741 24 HB2 GLN 4 1HB GLN 4 -3.526 3.475 -3.086 25 HB3 GLN 4 2HB GLN 4 -5.069 4.204 -2.663 26 HG2 GLN 4 1HG GLN 4 -3.116 5.396 -1.735 27 HG3 GLN 4 2HG GLN 4 -4.253 4.839 -0.508 28 HE21 GLN 4 2HE2 GLN 4 -1.643 3.217 -2.275 29 HE22 GLN 4 1HE2 GLN 4 -0.782 2.697 -0.870 30 H VAL 5 H VAL 5 -6.144 3.014 0.234 31 HA VAL 5 HA VAL 5 -8.671 2.424 -1.169 32 HB VAL 5 HB VAL 5 -8.237 2.276 1.815 33 HG11 VAL 5 1HG1 VAL 5 -10.404 0.808 1.399 34 HG12 VAL 5 2HG1 VAL 5 -10.491 2.557 1.619 35 HG13 VAL 5 3HG1 VAL 5 -10.549 1.868 -0.003 36 HG21 VAL 5 3HG2 VAL 5 -7.795 0.288 -0.321 37 HG22 VAL 5 1HG2 VAL 5 -7.073 0.414 1.284 38 HG23 VAL 5 2HG2 VAL 5 -8.684 -0.277 1.093 39 H VAL 6 H VAL 6 -9.771 4.202 -1.630 40 HA VAL 6 HA VAL 6 -9.402 6.588 0.043 41 HB VAL 6 HB VAL 6 -10.691 6.445 -2.682 42 HG11 VAL 6 1HG1 VAL 6 -9.855 8.675 -0.862 43 HG12 VAL 6 2HG1 VAL 6 -9.995 8.922 -2.604 44 HG13 VAL 6 3HG1 VAL 6 -11.402 8.418 -1.667 45 HG21 VAL 6 3HG2 VAL 6 -7.842 6.662 -1.866 46 HG22 VAL 6 1HG2 VAL 6 -8.560 5.877 -3.272 47 HG23 VAL 6 2HG2 VAL 6 -8.390 7.632 -3.233 48 H THR 7 H THR 7 -10.835 6.384 1.694 49 HA THR 7 HA THR 7 -13.340 5.232 1.678 50 HB THR 7 HB THR 7 -12.822 7.716 3.289 51 HG1 THR 7 HG1 THR 7 -11.513 6.549 4.644 52 HG21 THR 7 3HG2 THR 7 -14.600 7.023 4.438 53 HG22 THR 7 1HG2 THR 7 -13.846 5.455 4.722 54 HG23 THR 7 2HG2 THR 7 -14.811 5.720 3.270 55 H LEU 8 H LEU 8 -15.292 5.761 0.913 56 HA LEU 8 HA LEU 8 -15.638 8.459 -0.222 57 HB2 LEU 8 1HB LEU 8 -16.836 5.845 -1.126 58 HB3 LEU 8 2HB LEU 8 -17.232 7.424 -1.802 59 HG LEU 8 HG LEU 8 -14.392 6.513 -1.840 60 HD11 LEU 8 1HD1 LEU 8 -14.628 5.026 -3.536 61 HD12 LEU 8 2HD1 LEU 8 -16.097 5.784 -4.149 62 HD13 LEU 8 3HD1 LEU 8 -16.170 4.744 -2.726 63 HD21 LEU 8 3HD2 LEU 8 -15.526 7.748 -4.205 64 HD22 LEU 8 1HD2 LEU 8 -14.144 8.239 -3.224 65 HD23 LEU 8 2HD2 LEU 8 -15.774 8.729 -2.760 66 H ALA 9 H ALA 9 -17.394 5.726 1.227 67 HA ALA 9 HA ALA 9 -19.164 7.663 2.543 68 HB1 ALA 9 1HB ALA 9 -21.016 6.942 1.547 69 HB2 ALA 9 2HB ALA 9 -19.979 6.076 0.412 70 HB3 ALA 9 3HB ALA 9 -20.597 5.254 1.844 71 H ALA 10 H ALA 10 -18.558 7.398 4.610 72 HA ALA 10 HA ALA 10 -17.543 5.085 5.782 73 HB1 ALA 10 1HB ALA 10 -17.116 6.783 7.188 74 HB2 ALA 10 2HB ALA 10 -18.579 7.660 6.737 75 HB3 ALA 10 3HB ALA 10 -18.666 6.341 7.905 76 H GLY 11 H GLY 11 -18.420 3.345 6.798 77 HA2 GLY 11 1HA GLY 11 -21.362 3.116 6.676 78 HA3 GLY 11 2HA GLY 11 -20.259 1.763 6.473 79 H ASP 12 H ASP 12 -20.163 0.460 8.163 80 HA ASP 12 HA ASP 12 -21.178 1.286 10.727 81 HB2 ASP 12 1HB ASP 12 -21.439 -1.025 9.630 82 HB3 ASP 12 2HB ASP 12 -19.784 -1.322 10.157 83 H GLU 13 H GLU 13 -18.034 0.590 9.311 84 HA GLU 13 HA GLU 13 -15.906 0.812 10.096 85 HB2 GLU 13 1HB GLU 13 -17.377 3.086 11.383 86 HB3 GLU 13 2HB GLU 13 -15.679 2.817 11.752 87 HG2 GLU 13 1HG GLU 13 -15.384 2.796 9.178 88 HG3 GLU 13 2HG GLU 13 -16.949 3.608 9.171 89 H ALA 14 H ALA 14 -17.669 -1.042 11.510 90 HA ALA 14 HA ALA 14 -16.141 -1.202 14.011 91 HB1 ALA 14 1HB ALA 14 -18.912 -0.633 13.847 92 HB2 ALA 14 2HB ALA 14 -18.732 -2.262 14.499 93 HB3 ALA 14 3HB ALA 14 -17.930 -0.903 15.286 94 H THR 15 H THR 15 -18.184 -2.851 11.645 95 HA THR 15 HA THR 15 -17.125 -5.440 12.517 96 HB THR 15 HB THR 15 -19.227 -5.022 10.398 97 HG1 THR 15 HG1 THR 15 -20.584 -5.618 12.414 98 HG21 THR 15 3HG2 THR 15 -19.679 -7.264 10.611 99 HG22 THR 15 1HG2 THR 15 -19.108 -7.333 12.278 100 HG23 THR 15 2HG2 THR 15 -17.948 -7.264 10.950 101 H TYR 16 H TYR 16 -15.269 -6.003 11.586 102 HA TYR 16 HA TYR 16 -14.914 -5.429 8.718 103 HB2 TYR 16 1HB TYR 16 -12.808 -5.712 10.871 104 HB3 TYR 16 2HB TYR 16 -12.473 -5.489 9.157 105 HD1 TYR 16 HD1 TYR 16 -14.173 -3.875 12.050 106 HD2 TYR 16 HD2 TYR 16 -12.298 -3.338 8.269 107 HE1 TYR 16 HE1 TYR 16 -14.265 -1.436 12.357 108 HE2 TYR 16 HE2 TYR 16 -12.384 -0.898 8.566 109 HH TYR 16 HH TYR 16 -12.488 0.696 10.688 110 HA PRO 17 HA PRO 17 -14.633 -9.731 7.890 111 HB2 PRO 17 1HB PRO 17 -12.859 -9.751 5.835 112 HB3 PRO 17 2HB PRO 17 -14.520 -9.170 5.664 113 HG2 PRO 17 1HG PRO 17 -11.996 -7.607 6.052 114 HG3 PRO 17 2HG PRO 17 -13.356 -7.284 4.961 115 HD2 PRO 17 1HD PRO 17 -13.046 -5.995 7.322 116 HD3 PRO 17 2HD PRO 17 -14.642 -6.356 6.633 117 H LYS 18 H LYS 18 -13.574 -11.389 8.786 118 HA LYS 18 HA LYS 18 -10.925 -10.925 9.903 119 HB2 LYS 18 1HB LYS 18 -13.180 -12.725 10.463 120 HB3 LYS 18 2HB LYS 18 -11.601 -13.484 10.613 121 HG2 LYS 18 1HG LYS 18 -10.913 -11.728 12.177 122 HG3 LYS 18 2HG LYS 18 -12.512 -10.993 12.040 123 HD2 LYS 18 1HD LYS 18 -13.534 -13.005 12.951 124 HD3 LYS 18 2HD LYS 18 -11.955 -13.789 13.033 125 HE2 LYS 18 1HE LYS 18 -12.447 -13.010 15.219 126 HE3 LYS 18 2HE LYS 18 -11.230 -11.921 14.555 127 HZ1 LYS 18 3HZ LYS 18 -12.732 -10.219 14.354 128 HZ2 LYS 18 1HZ LYS 18 -13.306 -10.973 15.755 129 HZ3 LYS 18 2HZ LYS 18 -14.075 -11.243 14.273 130 H ALA 19 H ALA 19 -9.101 -12.081 9.384 131 HA ALA 19 HA ALA 19 -8.761 -12.951 6.762 132 HB1 ALA 19 1HB ALA 19 -7.159 -12.842 9.177 133 HB2 ALA 19 2HB ALA 19 -6.767 -14.242 8.178 134 HB3 ALA 19 3HB ALA 19 -6.683 -12.619 7.493 135 H GLY 20 H GLY 20 -9.600 -14.672 5.792 136 HA2 GLY 20 1HA GLY 20 -9.598 -17.064 5.520 137 HA3 GLY 20 2HA GLY 20 -9.655 -17.220 7.270 138 H GLN 21 H GLN 21 -11.731 -14.899 7.056 139 HA GLN 21 HA GLN 21 -14.013 -16.696 6.907 140 HB2 GLN 21 1HB GLN 21 -13.441 -14.078 8.142 141 HB3 GLN 21 2HB GLN 21 -15.078 -14.273 7.528 142 HG2 GLN 21 1HG GLN 21 -14.854 -16.578 8.849 143 HG3 GLN 21 2HG GLN 21 -13.725 -15.604 9.790 144 HE21 GLN 21 2HE2 GLN 21 -14.931 -13.142 9.675 145 HE22 GLN 21 1HE2 GLN 21 -16.439 -13.197 10.516 146 H VAL 22 H VAL 22 -16.008 -15.957 5.808 147 HA VAL 22 HA VAL 22 -15.354 -15.040 3.128 148 HB VAL 22 HB VAL 22 -16.776 -16.999 3.323 149 HG11 VAL 22 1HG1 VAL 22 -18.658 -15.174 4.813 150 HG12 VAL 22 2HG1 VAL 22 -19.071 -16.790 4.235 151 HG13 VAL 22 3HG1 VAL 22 -17.815 -16.582 5.456 152 HG21 VAL 22 3HG2 VAL 22 -17.120 -15.079 1.563 153 HG22 VAL 22 1HG2 VAL 22 -18.237 -16.441 1.642 154 HG23 VAL 22 2HG2 VAL 22 -18.672 -14.900 2.381 155 H ALA 23 H ALA 23 -15.978 -13.149 2.230 156 HA ALA 23 HA ALA 23 -17.731 -11.378 3.790 157 HB1 ALA 23 1HB ALA 23 -15.067 -10.985 3.759 158 HB2 ALA 23 2HB ALA 23 -15.537 -10.056 2.335 159 HB3 ALA 23 3HB ALA 23 -16.249 -9.684 3.905 160 H VAL 24 H VAL 24 -19.140 -10.151 2.620 161 HA VAL 24 HA VAL 24 -19.082 -10.523 -0.304 162 HB VAL 24 HB VAL 24 -21.541 -9.932 1.337 163 HG11 VAL 24 1HG1 VAL 24 -20.952 -10.410 -1.514 164 HG12 VAL 24 2HG1 VAL 24 -22.393 -11.203 -0.875 165 HG13 VAL 24 3HG1 VAL 24 -22.226 -9.451 -0.762 166 HG21 VAL 24 3HG2 VAL 24 -21.772 -12.540 0.491 167 HG22 VAL 24 1HG2 VAL 24 -20.088 -12.433 1.001 168 HG23 VAL 24 2HG2 VAL 24 -21.379 -12.017 2.128 169 H VAL 25 H VAL 25 -18.824 -8.763 -1.504 170 HA VAL 25 HA VAL 25 -19.788 -6.180 -0.541 171 HB VAL 25 HB VAL 25 -17.770 -5.026 -0.746 172 HG11 VAL 25 1HG1 VAL 25 -16.331 -6.019 0.830 173 HG12 VAL 25 2HG1 VAL 25 -17.939 -6.637 1.216 174 HG13 VAL 25 3HG1 VAL 25 -16.789 -7.650 0.341 175 HG21 VAL 25 3HG2 VAL 25 -16.880 -7.382 -2.354 176 HG22 VAL 25 1HG2 VAL 25 -16.832 -5.666 -2.757 177 HG23 VAL 25 2HG2 VAL 25 -15.683 -6.332 -1.597 178 H HIS 26 H HIS 26 -19.400 -4.466 -2.315 179 HA HIS 26 HA HIS 26 -20.029 -5.706 -4.912 180 HB2 HIS 26 1HB HIS 26 -21.114 -3.337 -3.485 181 HB3 HIS 26 2HB HIS 26 -20.960 -3.210 -5.235 182 HD1 HIS 26 HD1 HIS 26 -21.806 -6.027 -6.072 183 HD2 HIS 26 HD2 HIS 26 -23.775 -3.785 -3.181 184 HE1 HIS 26 HE1 HIS 26 -24.140 -6.958 -5.974 185 H TYR 27 H TYR 27 -18.558 -5.481 -6.451 186 HA TYR 27 HA TYR 27 -16.519 -3.391 -6.164 187 HB2 TYR 27 1HB TYR 27 -15.141 -4.727 -7.643 188 HB3 TYR 27 2HB TYR 27 -15.752 -5.746 -6.344 189 HD1 TYR 27 HD2 TYR 27 -16.141 -4.904 -9.922 190 HD2 TYR 27 HD1 TYR 27 -17.133 -7.624 -6.804 191 HE1 TYR 27 HE2 TYR 27 -17.035 -6.477 -11.587 192 HE2 TYR 27 HE1 TYR 27 -18.028 -9.206 -8.461 193 HH TYR 27 HH TYR 27 -17.455 -8.920 -11.771 194 H THR 28 H THR 28 -16.142 -1.884 -7.725 195 HA THR 28 HA THR 28 -17.788 -1.975 -10.157 196 HB THR 28 HB THR 28 -17.400 0.573 -8.591 197 HG1 THR 28 HG1 THR 28 -19.328 0.207 -7.617 198 HG21 THR 28 3HG2 THR 28 -19.752 0.518 -10.178 199 HG22 THR 28 1HG2 THR 28 -18.417 -0.053 -11.178 200 HG23 THR 28 2HG2 THR 28 -18.317 1.520 -10.386 201 H GLY 29 H GLY 29 -16.681 -1.532 -11.960 202 HA2 GLY 29 1HA GLY 29 -13.884 -1.098 -11.891 203 HA3 GLY 29 2HA GLY 29 -14.900 -1.039 -13.324 204 H THR 30 H THR 30 -12.638 0.675 -12.341 205 HA THR 30 HA THR 30 -13.702 3.170 -13.198 206 HB THR 30 HB THR 30 -12.614 3.850 -10.639 207 HG1 THR 30 HG1 THR 30 -14.463 2.914 -9.436 208 HG21 THR 30 3HG2 THR 30 -13.985 5.444 -11.581 209 HG22 THR 30 1HG2 THR 30 -15.093 4.696 -10.431 210 HG23 THR 30 2HG2 THR 30 -15.163 4.257 -12.138 211 H LEU 31 H LEU 31 -12.110 4.492 -13.933 212 HA LEU 31 HA LEU 31 -9.367 3.505 -13.654 213 HB2 LEU 31 1HB LEU 31 -10.760 5.242 -15.657 214 HB3 LEU 31 2HB LEU 31 -9.002 5.236 -15.539 215 HG LEU 31 HG LEU 31 -10.742 2.855 -16.183 216 HD11 LEU 31 1HD1 LEU 31 -10.465 4.698 -17.924 217 HD12 LEU 31 2HD1 LEU 31 -10.036 3.057 -18.405 218 HD13 LEU 31 3HD1 LEU 31 -8.771 4.214 -17.992 219 HD21 LEU 31 3HD2 LEU 31 -7.956 3.116 -15.354 220 HD22 LEU 31 1HD2 LEU 31 -8.161 2.243 -16.873 221 HD23 LEU 31 2HD2 LEU 31 -8.993 1.690 -15.419 222 H ALA 32 H ALA 32 -7.622 5.153 -13.539 223 HA ALA 32 HA ALA 32 -7.933 6.795 -11.284 224 HB1 ALA 32 1HB ALA 32 -5.808 6.393 -13.321 225 HB2 ALA 32 2HB ALA 32 -5.709 7.816 -12.282 226 HB3 ALA 32 3HB ALA 32 -5.748 6.203 -11.569 227 H ASP 33 H ASP 33 -8.584 7.361 -14.617 228 HA ASP 33 HA ASP 33 -8.481 10.240 -14.429 229 HB2 ASP 33 1HB ASP 33 -9.307 8.300 -16.575 230 HB3 ASP 33 2HB ASP 33 -9.632 10.024 -16.736 231 H GLY 34 H GLY 34 -10.722 7.809 -13.656 232 HA2 GLY 34 1HA GLY 34 -12.653 8.487 -12.338 233 HA3 GLY 34 2HA GLY 34 -12.844 9.849 -13.432 234 H LYS 35 H LYS 35 -12.120 7.754 -15.622 235 HA LYS 35 HA LYS 35 -14.645 7.386 -16.665 236 HB2 LYS 35 1HB LYS 35 -11.978 6.466 -17.251 237 HB3 LYS 35 2HB LYS 35 -13.133 5.168 -17.522 238 HG2 LYS 35 1HG LYS 35 -13.313 7.927 -18.715 239 HG3 LYS 35 2HG LYS 35 -12.711 6.489 -19.543 240 HD2 LYS 35 1HD LYS 35 -15.324 6.075 -18.330 241 HD3 LYS 35 2HD LYS 35 -15.324 7.383 -19.516 242 HE2 LYS 35 1HE LYS 35 -13.990 5.651 -20.962 243 HE3 LYS 35 2HE LYS 35 -14.742 4.478 -19.883 244 HZ1 LYS 35 3HZ LYS 35 -16.035 4.888 -21.917 245 HZ2 LYS 35 1HZ LYS 35 -16.229 6.506 -21.462 246 HZ3 LYS 35 2HZ LYS 35 -16.900 5.276 -20.516 247 H VAL 36 H VAL 36 -16.328 6.210 -16.052 248 HA VAL 36 HA VAL 36 -16.048 4.202 -13.997 249 HB VAL 36 HB VAL 36 -17.964 5.842 -14.117 250 HG11 VAL 36 1HG1 VAL 36 -19.830 5.316 -15.586 251 HG12 VAL 36 2HG1 VAL 36 -18.377 5.655 -16.529 252 HG13 VAL 36 3HG1 VAL 36 -18.914 3.990 -16.301 253 HG21 VAL 36 3HG2 VAL 36 -19.375 3.301 -14.086 254 HG22 VAL 36 1HG2 VAL 36 -17.856 3.243 -13.191 255 HG23 VAL 36 2HG2 VAL 36 -19.078 4.445 -12.777 256 H PHE 37 H PHE 37 -16.430 2.020 -14.181 257 HA PHE 37 HA PHE 37 -16.706 0.974 -16.922 258 HB2 PHE 37 1HB PHE 37 -14.762 0.318 -14.781 259 HB3 PHE 37 2HB PHE 37 -15.401 -1.041 -15.700 260 HD1 PHE 37 HD1 PHE 37 -13.696 2.230 -16.061 261 HD2 PHE 37 HD2 PHE 37 -14.561 -1.550 -17.814 262 HE1 PHE 37 HE1 PHE 37 -12.089 2.703 -17.863 263 HE2 PHE 37 HE2 PHE 37 -12.955 -1.085 -19.618 264 HZ PHE 37 HZ PHE 37 -11.716 1.043 -19.645 265 H ASP 38 H ASP 38 -17.088 -1.620 -16.557 266 HA ASP 38 HA ASP 38 -19.753 -1.863 -15.795 267 HB2 ASP 38 1HB ASP 38 -18.062 -3.453 -17.141 268 HB3 ASP 38 2HB ASP 38 -18.048 -4.287 -15.589 269 H SER 39 H SER 39 -20.799 -2.572 -13.974 270 HA SER 39 HA SER 39 -19.137 -2.930 -11.566 271 HB2 SER 39 1HB SER 39 -20.423 -0.717 -11.758 272 HB3 SER 39 2HB SER 39 -21.882 -1.681 -11.530 273 HG SER 39 HG SER 39 -20.822 -2.474 -9.570 274 H SER 40 H SER 40 -19.890 -4.379 -9.994 275 HA SER 40 HA SER 40 -21.422 -6.569 -11.060 276 HB2 SER 40 1HB SER 40 -20.296 -7.775 -9.537 277 HB3 SER 40 2HB SER 40 -19.432 -6.297 -9.117 278 HG SER 40 HG SER 40 -20.579 -7.470 -7.368 279 H ARG 41 H ARG 41 -21.972 -3.895 -8.908 280 HA ARG 41 HA ARG 41 -24.247 -4.841 -7.560 281 HB2 ARG 41 1HB ARG 41 -24.752 -2.435 -7.173 282 HB3 ARG 41 2HB ARG 41 -23.098 -2.876 -6.773 283 HG2 ARG 41 1HG ARG 41 -22.587 -1.033 -7.939 284 HG3 ARG 41 2HG ARG 41 -22.792 -2.090 -9.338 285 HD2 ARG 41 1HD ARG 41 -24.179 -0.413 -9.982 286 HD3 ARG 41 2HD ARG 41 -25.328 -1.346 -9.023 287 HE ARG 41 HE ARG 41 -25.395 0.364 -7.503 288 HH11 ARG 41 1HH1 ARG 41 -22.632 0.787 -9.577 289 HH12 ARG 41 2HH1 ARG 41 -22.250 2.362 -8.965 290 HH21 ARG 41 1HH2 ARG 41 -24.902 2.437 -6.688 291 HH22 ARG 41 2HH2 ARG 41 -23.541 3.299 -7.321 292 H THR 42 H THR 42 -23.902 -3.060 -10.603 293 HA THR 42 HA THR 42 -26.638 -2.680 -11.114 294 HB THR 42 HB THR 42 -24.753 -1.538 -12.322 295 HG1 THR 42 HG1 THR 42 -25.918 -1.551 -14.332 296 HG21 THR 42 3HG2 THR 42 -23.272 -2.687 -13.530 297 HG22 THR 42 1HG2 THR 42 -24.557 -3.463 -14.454 298 HG23 THR 42 2HG2 THR 42 -24.011 -4.173 -12.935 299 H ARG 43 H ARG 43 -24.732 -5.501 -11.188 300 HA ARG 43 HA ARG 43 -26.553 -6.895 -13.002 301 HB2 ARG 43 1HB ARG 43 -24.032 -7.148 -13.147 302 HB3 ARG 43 2HB ARG 43 -24.119 -8.028 -11.627 303 HG2 ARG 43 1HG ARG 43 -24.437 -9.871 -12.811 304 HG3 ARG 43 2HG ARG 43 -26.022 -9.236 -13.256 305 HD2 ARG 43 1HD ARG 43 -23.750 -8.197 -14.814 306 HD3 ARG 43 2HD ARG 43 -24.098 -9.911 -15.032 307 HE ARG 43 HE ARG 43 -26.474 -8.386 -15.219 308 HH11 ARG 43 1HH1 ARG 43 -23.572 -9.170 -16.975 309 HH12 ARG 43 2HH1 ARG 43 -24.291 -8.924 -18.532 310 HH21 ARG 43 1HH2 ARG 43 -27.433 -8.060 -17.263 311 HH22 ARG 43 2HH2 ARG 43 -26.487 -8.292 -18.695 312 H GLY 44 H GLY 44 -26.775 -6.033 -9.950 313 HA2 GLY 44 1HA GLY 44 -27.786 -6.867 -8.060 314 HA3 GLY 44 2HA GLY 44 -28.736 -7.817 -9.192 315 H LYS 45 H LYS 45 -25.260 -8.033 -8.583 316 HA LYS 45 HA LYS 45 -25.588 -10.501 -7.092 317 HB2 LYS 45 1HB LYS 45 -24.784 -10.408 -9.923 318 HB3 LYS 45 2HB LYS 45 -23.716 -11.349 -8.890 319 HG2 LYS 45 1HG LYS 45 -26.105 -12.285 -8.076 320 HG3 LYS 45 2HG LYS 45 -26.476 -11.885 -9.754 321 HD2 LYS 45 1HD LYS 45 -23.945 -13.338 -9.260 322 HD3 LYS 45 2HD LYS 45 -25.441 -14.240 -9.006 323 HE2 LYS 45 1HE LYS 45 -26.169 -13.718 -11.259 324 HE3 LYS 45 2HE LYS 45 -24.737 -12.722 -11.516 325 HZ1 LYS 45 3HZ LYS 45 -25.022 -15.603 -11.588 326 HZ2 LYS 45 1HZ LYS 45 -23.635 -15.044 -10.796 327 HZ3 LYS 45 2HZ LYS 45 -23.929 -14.601 -12.402 328 HA PRO 46 HA PRO 46 -22.077 -8.135 -5.454 329 HB2 PRO 46 1HB PRO 46 -22.252 -9.207 -2.965 330 HB3 PRO 46 2HB PRO 46 -23.267 -7.864 -3.507 331 HG2 PRO 46 1HG PRO 46 -23.915 -10.782 -3.343 332 HG3 PRO 46 2HG PRO 46 -24.909 -9.388 -2.883 333 HD2 PRO 46 1HD PRO 46 -25.252 -10.716 -5.218 334 HD3 PRO 46 2HD PRO 46 -25.556 -8.974 -5.056 335 H PHE 47 H PHE 47 -19.977 -8.740 -4.869 336 HA PHE 47 HA PHE 47 -19.280 -11.480 -5.581 337 HB2 PHE 47 1HB PHE 47 -18.131 -9.310 -6.463 338 HB3 PHE 47 2HB PHE 47 -17.276 -9.346 -4.925 339 HD1 PHE 47 HD1 PHE 47 -18.122 -11.610 -7.766 340 HD2 PHE 47 HD2 PHE 47 -15.268 -10.454 -4.827 341 HE1 PHE 47 HE1 PHE 47 -16.509 -13.212 -8.706 342 HE2 PHE 47 HE2 PHE 47 -13.651 -12.053 -5.763 343 HZ PHE 47 HZ PHE 47 -14.270 -13.435 -7.706 344 H ARG 48 H ARG 48 -19.088 -12.956 -4.044 345 HA ARG 48 HA ARG 48 -18.168 -12.099 -1.377 346 HB2 ARG 48 1HB ARG 48 -19.447 -14.012 -0.468 347 HB3 ARG 48 2HB ARG 48 -20.473 -12.839 -1.281 348 HG2 ARG 48 1HG ARG 48 -21.248 -14.385 -2.663 349 HG3 ARG 48 2HG ARG 48 -19.614 -14.858 -3.132 350 HD2 ARG 48 1HD ARG 48 -19.628 -16.066 -0.808 351 HD3 ARG 48 2HD ARG 48 -21.379 -15.968 -0.997 352 HE ARG 48 HE ARG 48 -20.015 -17.047 -3.288 353 HH11 ARG 48 1HH1 ARG 48 -21.459 -17.767 -0.203 354 HH12 ARG 48 2HH1 ARG 48 -21.763 -19.429 -0.587 355 HH21 ARG 48 1HH2 ARG 48 -20.411 -19.233 -3.805 356 HH22 ARG 48 2HH2 ARG 48 -21.166 -20.262 -2.636 357 H PHE 49 H PHE 49 -16.486 -13.154 -0.462 358 HA PHE 49 HA PHE 49 -15.618 -15.743 -1.279 359 HB2 PHE 49 1HB PHE 49 -13.466 -15.107 -2.255 360 HB3 PHE 49 2HB PHE 49 -14.795 -14.449 -3.204 361 HD1 PHE 49 HD2 PHE 49 -12.041 -13.655 -0.928 362 HD2 PHE 49 HD1 PHE 49 -15.191 -12.081 -3.319 363 HE1 PHE 49 HE2 PHE 49 -11.065 -11.406 -0.727 364 HE2 PHE 49 HE1 PHE 49 -14.219 -9.829 -3.122 365 HZ PHE 49 HZ PHE 49 -12.154 -9.489 -1.823 366 H THR 50 H THR 50 -13.411 -16.247 -0.269 367 HA THR 50 HA THR 50 -13.509 -15.354 2.478 368 HB THR 50 HB THR 50 -11.668 -17.339 1.130 369 HG1 THR 50 HG1 THR 50 -13.876 -17.797 2.873 370 HG21 THR 50 3HG2 THR 50 -10.438 -16.913 2.994 371 HG22 THR 50 1HG2 THR 50 -11.601 -18.020 3.723 372 HG23 THR 50 2HG2 THR 50 -11.816 -16.277 3.891 373 H VAL 51 H VAL 51 -12.513 -13.557 3.094 374 HA VAL 51 HA VAL 51 -10.556 -12.207 1.582 375 HB VAL 51 HB VAL 51 -11.016 -11.862 4.542 376 HG11 VAL 51 1HG1 VAL 51 -10.583 -9.403 3.638 377 HG12 VAL 51 2HG1 VAL 51 -9.261 -10.481 4.094 378 HG13 VAL 51 3HG1 VAL 51 -9.701 -10.291 2.396 379 HG21 VAL 51 3HG2 VAL 51 -12.693 -11.069 2.207 380 HG22 VAL 51 1HG2 VAL 51 -13.180 -11.644 3.802 381 HG23 VAL 51 2HG2 VAL 51 -12.597 -9.992 3.600 382 H GLY 52 H GLY 52 -8.682 -13.239 1.142 383 HA2 GLY 52 1HA GLY 52 -6.407 -13.325 2.193 384 HA3 GLY 52 2HA GLY 52 -7.162 -14.303 3.443 385 H ARG 53 H ARG 53 -8.806 -15.421 1.019 386 HA ARG 53 HA ARG 53 -7.134 -17.732 0.679 387 HB2 ARG 53 1HB ARG 53 -9.907 -16.958 -0.045 388 HB3 ARG 53 2HB ARG 53 -9.147 -18.196 -1.035 389 HG2 ARG 53 1HG ARG 53 -9.279 -18.351 1.963 390 HG3 ARG 53 2HG ARG 53 -10.520 -19.020 0.902 391 HD2 ARG 53 1HD ARG 53 -9.066 -20.609 0.006 392 HD3 ARG 53 2HD ARG 53 -7.633 -19.734 0.542 393 HE ARG 53 HE ARG 53 -8.896 -20.410 2.854 394 HH11 ARG 53 1HH1 ARG 53 -7.787 -22.185 0.072 395 HH12 ARG 53 2HH1 ARG 53 -7.474 -23.638 0.961 396 HH21 ARG 53 1HH2 ARG 53 -8.488 -22.318 4.036 397 HH22 ARG 53 2HH2 ARG 53 -7.874 -23.713 3.216 398 H GLY 54 H GLY 54 -6.954 -18.681 -1.618 399 HA2 GLY 54 1HA GLY 54 -5.634 -16.652 -3.250 400 HA3 GLY 54 2HA GLY 54 -5.490 -18.394 -3.437 401 H GLU 55 H GLU 55 -8.674 -17.181 -3.075 402 HA GLU 55 HA GLU 55 -9.296 -17.963 -5.795 403 HB2 GLU 55 1HB GLU 55 -11.072 -16.992 -3.549 404 HB3 GLU 55 2HB GLU 55 -11.647 -17.567 -5.108 405 HG2 GLU 55 1HG GLU 55 -10.240 -19.142 -2.972 406 HG3 GLU 55 2HG GLU 55 -11.892 -19.340 -3.555 407 H VAL 56 H VAL 56 -8.777 -15.066 -3.998 408 HA VAL 56 HA VAL 56 -9.736 -13.467 -6.282 409 HB VAL 56 HB VAL 56 -9.809 -11.558 -4.616 410 HG11 VAL 56 1HG1 VAL 56 -11.743 -13.100 -5.447 411 HG12 VAL 56 2HG1 VAL 56 -11.732 -13.684 -3.782 412 HG13 VAL 56 3HG1 VAL 56 -12.019 -11.976 -4.116 413 HG21 VAL 56 3HG2 VAL 56 -9.352 -11.847 -2.440 414 HG22 VAL 56 1HG2 VAL 56 -10.182 -13.402 -2.377 415 HG23 VAL 56 2HG2 VAL 56 -8.520 -13.313 -2.961 416 H ILE 57 H ILE 57 -8.564 -11.143 -6.041 417 HA ILE 57 HA ILE 57 -5.730 -11.756 -6.380 418 HB ILE 57 HB ILE 57 -5.597 -9.447 -7.329 419 HG12 ILE 57 1HG1 ILE 57 -8.566 -9.380 -7.548 420 HG13 ILE 57 2HG1 ILE 57 -7.856 -8.904 -6.009 421 HG21 ILE 57 1HG2 ILE 57 -7.547 -11.394 -8.545 422 HG22 ILE 57 2HG2 ILE 57 -6.878 -10.007 -9.402 423 HG23 ILE 57 3HG2 ILE 57 -5.810 -11.289 -8.832 424 HD11 ILE 57 3HD1 ILE 57 -8.107 -6.919 -7.208 425 HD12 ILE 57 1HD1 ILE 57 -6.397 -7.321 -7.360 426 HD13 ILE 57 2HD1 ILE 57 -7.501 -7.639 -8.699 427 H ARG 58 H ARG 58 -4.094 -10.320 -5.509 428 HA ARG 58 HA ARG 58 -4.206 -9.986 -2.777 429 HB2 ARG 58 1HB ARG 58 -2.538 -8.340 -4.686 430 HB3 ARG 58 2HB ARG 58 -2.208 -8.612 -2.980 431 HG2 ARG 58 1HG ARG 58 -2.205 -11.128 -3.683 432 HG3 ARG 58 2HG ARG 58 -1.901 -10.465 -5.291 433 HD2 ARG 58 1HD ARG 58 0.163 -9.665 -4.721 434 HD3 ARG 58 2HD ARG 58 -0.273 -9.440 -3.028 435 HE ARG 58 HE ARG 58 0.882 -11.775 -4.216 436 HH11 ARG 58 1HH1 ARG 58 -1.136 -10.615 -1.627 437 HH12 ARG 58 2HH1 ARG 58 -0.798 -11.959 -0.587 438 HH21 ARG 58 1HH2 ARG 58 1.335 -13.549 -2.855 439 HH22 ARG 58 2HH2 ARG 58 0.609 -13.626 -1.286 440 H GLY 59 H GLY 59 -4.845 -7.571 -5.300 441 HA2 GLY 59 1HA GLY 59 -5.172 -5.304 -3.779 442 HA3 GLY 59 2HA GLY 59 -6.098 -5.644 -5.233 443 H TRP 60 H TRP 60 -7.870 -7.427 -4.750 444 HA TRP 60 HA TRP 60 -9.803 -6.231 -3.147 445 HB2 TRP 60 1HB TRP 60 -9.534 -9.000 -4.290 446 HB3 TRP 60 2HB TRP 60 -10.912 -8.566 -3.283 447 HD1 TRP 60 HD1 TRP 60 -10.547 -5.469 -4.857 448 HE1 TRP 60 HE1 TRP 60 -11.863 -5.265 -7.059 449 HE3 TRP 60 HE3 TRP 60 -11.377 -10.430 -5.769 450 HZ2 TRP 60 HZ2 TRP 60 -13.091 -6.980 -8.935 451 HZ3 TRP 60 HZ3 TRP 60 -12.631 -11.064 -7.789 452 HH2 TRP 60 HH2 TRP 60 -13.470 -9.373 -9.337 453 H ASP 61 H ASP 61 -7.621 -8.927 -2.427 454 HA ASP 61 HA ASP 61 -8.592 -9.762 0.002 455 HB2 ASP 61 1HB ASP 61 -6.446 -10.439 -1.434 456 HB3 ASP 61 2HB ASP 61 -5.640 -9.447 -0.222 457 H GLU 62 H GLU 62 -5.952 -7.383 -0.349 458 HA GLU 62 HA GLU 62 -6.056 -6.543 2.342 459 HB2 GLU 62 1HB GLU 62 -5.011 -4.942 0.005 460 HB3 GLU 62 2HB GLU 62 -4.548 -4.787 1.693 461 HG2 GLU 62 1HG GLU 62 -3.850 -7.303 1.390 462 HG3 GLU 62 2HG GLU 62 -3.769 -6.838 -0.308 463 H GLY 63 H GLY 63 -7.406 -5.146 -0.632 464 HA2 GLY 63 1HA GLY 63 -8.438 -2.786 0.349 465 HA3 GLY 63 2HA GLY 63 -9.183 -3.721 -0.939 466 H VAL 64 H VAL 64 -10.357 -5.773 -0.001 467 HA VAL 64 HA VAL 64 -12.537 -4.834 1.507 468 HB VAL 64 HB VAL 64 -12.581 -6.779 -0.084 469 HG11 VAL 64 1HG1 VAL 64 -11.638 -8.798 0.380 470 HG12 VAL 64 2HG1 VAL 64 -10.495 -7.762 1.237 471 HG13 VAL 64 3HG1 VAL 64 -11.776 -8.587 2.125 472 HG21 VAL 64 3HG2 VAL 64 -13.854 -8.165 1.975 473 HG22 VAL 64 1HG2 VAL 64 -13.932 -6.467 2.445 474 HG23 VAL 64 2HG2 VAL 64 -14.575 -6.980 0.885 475 H ALA 65 H ALA 65 -9.593 -6.504 2.417 476 HA ALA 65 HA ALA 65 -10.294 -7.353 4.982 477 HB1 ALA 65 1HB ALA 65 -7.830 -7.209 5.451 478 HB2 ALA 65 2HB ALA 65 -8.270 -8.144 4.022 479 HB3 ALA 65 3HB ALA 65 -7.638 -6.507 3.845 480 H GLN 66 H GLN 66 -9.175 -4.218 3.824 481 HA GLN 66 HA GLN 66 -9.275 -3.142 6.543 482 HB2 GLN 66 1HB GLN 66 -8.339 -1.859 3.971 483 HB3 GLN 66 2HB GLN 66 -8.237 -1.134 5.570 484 HG2 GLN 66 1HG GLN 66 -6.611 -2.667 6.282 485 HG3 GLN 66 2HG GLN 66 -6.922 -3.750 4.926 486 HE21 GLN 66 2HE2 GLN 66 -6.538 -2.710 2.739 487 HE22 GLN 66 1HE2 GLN 66 -5.109 -1.753 2.586 488 H MET 67 H MET 67 -11.655 -3.903 4.894 489 HA MET 67 HA MET 67 -12.958 -1.267 4.740 490 HB2 MET 67 1HB MET 67 -13.514 -3.860 3.312 491 HB3 MET 67 2HB MET 67 -14.692 -2.556 3.367 492 HG2 MET 67 1HG MET 67 -11.974 -1.816 2.501 493 HG3 MET 67 2HG MET 67 -12.890 -2.854 1.411 494 HE1 MET 67 3HE MET 67 -15.131 -2.083 0.140 495 HE2 MET 67 1HE MET 67 -15.796 -2.085 1.773 496 HE3 MET 67 2HE MET 67 -16.076 -0.707 0.710 497 H SER 68 H SER 68 -15.185 -1.131 5.462 498 HA SER 68 HA SER 68 -15.790 -3.063 7.605 499 HB2 SER 68 1HB SER 68 -17.010 -1.055 8.664 500 HB3 SER 68 2HB SER 68 -15.248 -1.066 8.732 501 HG SER 68 HG SER 68 -16.630 0.876 7.870 502 H VAL 69 H VAL 69 -17.965 -3.599 7.962 503 HA VAL 69 HA VAL 69 -19.552 -3.992 5.730 504 HB VAL 69 HB VAL 69 -20.443 -3.804 8.611 505 HG11 VAL 69 1HG1 VAL 69 -21.840 -4.672 6.115 506 HG12 VAL 69 2HG1 VAL 69 -22.244 -5.420 7.662 507 HG13 VAL 69 3HG1 VAL 69 -22.436 -3.679 7.445 508 HG21 VAL 69 3HG2 VAL 69 -18.655 -5.476 8.081 509 HG22 VAL 69 1HG2 VAL 69 -20.149 -6.170 8.711 510 HG23 VAL 69 2HG2 VAL 69 -19.794 -6.257 6.985 511 H GLY 70 H GLY 70 -20.861 -2.741 4.563 512 HA2 GLY 70 1HA GLY 70 -22.373 -1.058 4.058 513 HA3 GLY 70 2HA GLY 70 -22.324 -0.554 5.741 514 H GLN 71 H GLN 71 -19.245 -0.873 4.371 515 HA GLN 71 HA GLN 71 -19.064 2.049 4.096 516 HB2 GLN 71 1HB GLN 71 -17.636 0.712 5.797 517 HB3 GLN 71 2HB GLN 71 -16.700 0.220 4.392 518 HG2 GLN 71 1HG GLN 71 -16.889 2.947 4.094 519 HG3 GLN 71 2HG GLN 71 -16.717 2.738 5.836 520 HE21 GLN 71 2HE2 GLN 71 -15.195 2.494 2.761 521 HE22 GLN 71 1HE2 GLN 71 -13.613 2.100 3.331 522 H ARG 72 H ARG 72 -18.309 2.975 2.256 523 HA ARG 72 HA ARG 72 -17.548 1.164 0.059 524 HB2 ARG 72 1HB ARG 72 -19.746 1.964 -0.433 525 HB3 ARG 72 2HB ARG 72 -19.306 3.614 -0.015 526 HG2 ARG 72 1HG ARG 72 -18.034 3.887 -1.966 527 HG3 ARG 72 2HG ARG 72 -18.002 2.151 -2.285 528 HD2 ARG 72 1HD ARG 72 -19.548 3.189 -3.803 529 HD3 ARG 72 2HD ARG 72 -20.454 2.222 -2.640 530 HE ARG 72 HE ARG 72 -20.185 4.990 -1.903 531 HH11 ARG 72 1HH1 ARG 72 -22.063 2.660 -3.681 532 HH12 ARG 72 2HH1 ARG 72 -23.515 3.606 -3.642 533 HH21 ARG 72 1HH2 ARG 72 -22.090 6.245 -1.844 534 HH22 ARG 72 2HH2 ARG 72 -23.528 5.645 -2.598 535 H ALA 73 H ALA 73 -15.753 1.668 -1.067 536 HA ALA 73 HA ALA 73 -14.650 4.337 -1.045 537 HB1 ALA 73 1HB ALA 73 -12.544 3.779 -0.018 538 HB2 ALA 73 2HB ALA 73 -13.853 3.390 1.098 539 HB3 ALA 73 3HB ALA 73 -13.051 2.103 0.197 540 H LYS 74 H LYS 74 -12.536 4.386 -2.291 541 HA LYS 74 HA LYS 74 -12.838 2.669 -4.633 542 HB2 LYS 74 1HB LYS 74 -11.554 5.310 -4.098 543 HB3 LYS 74 2HB LYS 74 -10.949 4.342 -5.436 544 HG2 LYS 74 1HG LYS 74 -12.757 4.731 -6.705 545 HG3 LYS 74 2HG LYS 74 -13.868 4.625 -5.337 546 HD2 LYS 74 1HD LYS 74 -13.157 6.880 -4.626 547 HD3 LYS 74 2HD LYS 74 -12.119 6.980 -6.050 548 HE2 LYS 74 1HE LYS 74 -15.124 6.719 -6.013 549 HE3 LYS 74 2HE LYS 74 -14.194 8.145 -6.471 550 HZ1 LYS 74 3HZ LYS 74 -14.374 7.354 -8.532 551 HZ2 LYS 74 1HZ LYS 74 -14.848 5.814 -8.016 552 HZ3 LYS 74 2HZ LYS 74 -13.206 6.212 -8.091 553 H LEU 75 H LEU 75 -11.478 1.067 -5.119 554 HA LEU 75 HA LEU 75 -9.095 0.727 -3.439 555 HB2 LEU 75 1HB LEU 75 -10.927 -1.048 -3.616 556 HB3 LEU 75 2HB LEU 75 -10.304 -1.352 -5.236 557 HG LEU 75 HG LEU 75 -8.146 -1.994 -4.299 558 HD11 LEU 75 1HD1 LEU 75 -9.455 -1.429 -1.645 559 HD12 LEU 75 2HD1 LEU 75 -8.072 -0.591 -2.347 560 HD13 LEU 75 3HD1 LEU 75 -7.923 -2.277 -1.851 561 HD21 LEU 75 3HD2 LEU 75 -8.780 -4.110 -3.683 562 HD22 LEU 75 1HD2 LEU 75 -10.262 -3.539 -4.450 563 HD23 LEU 75 2HD2 LEU 75 -10.123 -3.540 -2.691 564 H VAL 76 H VAL 76 -7.578 1.957 -4.495 565 HA VAL 76 HA VAL 76 -7.102 1.441 -7.338 566 HB VAL 76 HB VAL 76 -7.166 3.771 -6.819 567 HG11 VAL 76 1HG1 VAL 76 -6.681 4.458 -4.762 568 HG12 VAL 76 2HG1 VAL 76 -5.870 2.935 -4.394 569 HG13 VAL 76 3HG1 VAL 76 -4.972 4.255 -5.146 570 HG21 VAL 76 3HG2 VAL 76 -4.223 3.249 -6.974 571 HG22 VAL 76 1HG2 VAL 76 -5.288 2.777 -8.298 572 HG23 VAL 76 2HG2 VAL 76 -5.186 4.468 -7.808 573 H CYS 77 H CYS 77 -5.946 -0.394 -7.563 574 HA CYS 77 HA CYS 77 -3.383 -0.544 -6.122 575 HB2 CYS 77 1HB CYS 77 -3.589 -2.940 -5.954 576 HB3 CYS 77 2HB CYS 77 -5.037 -2.209 -5.273 577 HG CYS 77 HG CYS 77 -4.732 -3.865 -8.240 578 H SER 78 H SER 78 -1.748 -1.890 -7.247 579 HA SER 78 HA SER 78 -1.690 -1.178 -10.048 580 HB2 SER 78 1HB SER 78 0.251 -1.790 -7.999 581 HB3 SER 78 2HB SER 78 0.569 -2.745 -9.447 582 HG SER 78 HG SER 78 1.163 -0.223 -9.045 583 HA PRO 79 HA PRO 79 -2.636 -5.045 -11.890 584 HB2 PRO 79 1HB PRO 79 -0.686 -5.384 -13.748 585 HB3 PRO 79 2HB PRO 79 -1.970 -4.180 -13.911 586 HG2 PRO 79 1HG PRO 79 0.852 -3.825 -12.978 587 HG3 PRO 79 2HG PRO 79 -0.102 -2.805 -14.071 588 HD2 PRO 79 1HD PRO 79 0.274 -2.191 -11.460 589 HD3 PRO 79 2HD PRO 79 -1.211 -1.768 -12.337 590 H ASP 80 H ASP 80 0.583 -4.689 -10.583 591 HA ASP 80 HA ASP 80 1.462 -7.349 -10.820 592 HB2 ASP 80 1HB ASP 80 2.204 -5.015 -9.118 593 HB3 ASP 80 2HB ASP 80 2.792 -6.605 -8.641 594 H TYR 81 H TYR 81 -0.801 -5.850 -8.683 595 HA TYR 81 HA TYR 81 -0.910 -8.301 -7.053 596 HB2 TYR 81 1HB TYR 81 -1.299 -5.429 -6.414 597 HB3 TYR 81 2HB TYR 81 -2.361 -6.570 -5.595 598 HD1 TYR 81 HD2 TYR 81 1.141 -7.253 -6.568 599 HD2 TYR 81 HD1 TYR 81 -1.525 -6.314 -3.387 600 HE1 TYR 81 HE2 TYR 81 2.921 -7.736 -4.941 601 HE2 TYR 81 HE1 TYR 81 0.248 -6.794 -1.752 602 HH TYR 81 HH TYR 81 3.492 -7.113 -2.599 603 H ALA 82 H ALA 82 -2.229 -7.447 -9.706 604 HA ALA 82 HA ALA 82 -4.804 -8.618 -9.086 605 HB1 ALA 82 1HB ALA 82 -5.098 -6.161 -8.724 606 HB2 ALA 82 2HB ALA 82 -4.737 -5.926 -10.435 607 HB3 ALA 82 3HB ALA 82 -6.156 -6.855 -9.953 608 H TYR 83 H TYR 83 -6.107 -8.091 -11.464 609 HA TYR 83 HA TYR 83 -4.496 -9.672 -13.310 610 HB2 TYR 83 1HB TYR 83 -6.724 -9.737 -14.593 611 HB3 TYR 83 2HB TYR 83 -6.643 -10.592 -13.057 612 HD1 TYR 83 HD2 TYR 83 -7.414 -7.116 -14.218 613 HD2 TYR 83 HD1 TYR 83 -8.510 -10.391 -11.732 614 HE1 TYR 83 HE2 TYR 83 -9.363 -5.848 -13.416 615 HE2 TYR 83 HE1 TYR 83 -10.462 -9.132 -10.924 616 HH TYR 83 HH TYR 83 -11.927 -7.134 -11.975 617 H GLY 84 H GLY 84 -4.327 -6.641 -12.758 618 HA2 GLY 84 1HA GLY 84 -5.122 -5.332 -15.153 619 HA3 GLY 84 2HA GLY 84 -3.992 -4.709 -13.960 620 H SER 85 H SER 85 -2.365 -7.242 -14.317 621 HA SER 85 HA SER 85 -0.379 -6.282 -15.951 622 HB2 SER 85 1HB SER 85 0.147 -8.113 -14.537 623 HB3 SER 85 2HB SER 85 -1.126 -9.116 -15.232 624 HG SER 85 HG SER 85 1.008 -8.162 -16.811 625 H ARG 86 H ARG 86 -2.396 -9.047 -16.941 626 HA ARG 86 HA ARG 86 -1.805 -8.681 -19.696 627 HB2 ARG 86 1HB ARG 86 -2.318 -10.887 -18.990 628 HB3 ARG 86 2HB ARG 86 -3.817 -10.375 -18.227 629 HG2 ARG 86 1HG ARG 86 -4.133 -11.610 -20.351 630 HG3 ARG 86 2HG ARG 86 -4.848 -9.997 -20.350 631 HD2 ARG 86 1HD ARG 86 -3.605 -10.626 -22.443 632 HD3 ARG 86 2HD ARG 86 -3.091 -9.122 -21.681 633 HE ARG 86 HE ARG 86 -1.528 -11.312 -20.776 634 HH11 ARG 86 1HH1 ARG 86 -1.990 -9.175 -23.485 635 HH12 ARG 86 2HH1 ARG 86 -0.354 -9.311 -24.038 636 HH21 ARG 86 1HH2 ARG 86 0.629 -11.499 -21.495 637 HH22 ARG 86 2HH2 ARG 86 1.135 -10.634 -22.906 638 H GLY 87 H GLY 87 -4.891 -8.348 -17.924 639 HA2 GLY 87 1HA GLY 87 -6.660 -6.916 -18.251 640 HA3 GLY 87 2HA GLY 87 -5.569 -5.896 -19.177 641 H HIS 88 H HIS 88 -7.564 -5.549 -20.453 642 HA HIS 88 HA HIS 88 -7.552 -7.316 -22.744 643 HB2 HIS 88 1HB HIS 88 -9.768 -7.255 -20.794 644 HB3 HIS 88 2HB HIS 88 -10.250 -7.121 -22.482 645 HD1 HIS 88 HD1 HIS 88 -8.240 -9.067 -23.754 646 HD2 HIS 88 HD2 HIS 88 -10.365 -9.858 -20.273 647 HE1 HIS 88 HE1 HIS 88 -8.303 -11.573 -23.560 648 HA PRO 89 HA PRO 89 -8.313 -3.596 -24.941 649 HB2 PRO 89 1HB PRO 89 -9.745 -4.487 -27.069 650 HB3 PRO 89 2HB PRO 89 -8.017 -4.802 -26.874 651 HG2 PRO 89 1HG PRO 89 -10.346 -6.584 -26.274 652 HG3 PRO 89 2HG PRO 89 -8.807 -6.981 -27.061 653 HD2 PRO 89 1HD PRO 89 -9.301 -7.544 -24.459 654 HD3 PRO 89 2HD PRO 89 -7.679 -7.139 -25.057 655 H GLY 90 H GLY 90 -9.635 -2.073 -24.156 656 HA2 GLY 90 1HA GLY 90 -11.609 -0.854 -24.017 657 HA3 GLY 90 2HA GLY 90 -12.466 -2.214 -24.726 658 H VAL 91 H VAL 91 -10.578 -3.299 -22.201 659 HA VAL 91 HA VAL 91 -12.773 -2.979 -20.261 660 HB VAL 91 HB VAL 91 -11.145 -5.497 -20.621 661 HG11 VAL 91 1HG1 VAL 91 -12.741 -4.535 -18.486 662 HG12 VAL 91 2HG1 VAL 91 -13.598 -5.883 -19.237 663 HG13 VAL 91 3HG1 VAL 91 -11.951 -6.103 -18.644 664 HG21 VAL 91 3HG2 VAL 91 -13.536 -6.337 -21.303 665 HG22 VAL 91 1HG2 VAL 91 -13.770 -4.646 -21.746 666 HG23 VAL 91 2HG2 VAL 91 -12.475 -5.582 -22.492 667 H ILE 92 H ILE 92 -9.420 -4.190 -20.469 668 HA ILE 92 HA ILE 92 -8.750 -2.499 -18.163 669 HB ILE 92 HB ILE 92 -7.935 -5.391 -18.478 670 HG12 ILE 92 1HG1 ILE 92 -9.663 -4.041 -16.391 671 HG13 ILE 92 2HG1 ILE 92 -10.255 -5.071 -17.691 672 HG21 ILE 92 1HG2 ILE 92 -7.266 -3.476 -16.249 673 HG22 ILE 92 2HG2 ILE 92 -6.722 -5.144 -16.421 674 HG23 ILE 92 3HG2 ILE 92 -6.164 -3.914 -17.554 675 HD11 ILE 92 3HD1 ILE 92 -8.326 -6.002 -15.584 676 HD12 ILE 92 1HD1 ILE 92 -10.077 -6.167 -15.457 677 HD13 ILE 92 2HD1 ILE 92 -9.206 -6.983 -16.755 678 HA PRO 93 HA PRO 93 -5.404 -1.304 -20.793 679 HB2 PRO 93 1HB PRO 93 -3.939 0.015 -18.926 680 HB3 PRO 93 2HB PRO 93 -5.416 0.680 -19.634 681 HG2 PRO 93 1HG PRO 93 -5.030 -0.702 -17.007 682 HG3 PRO 93 2HG PRO 93 -5.981 0.748 -17.379 683 HD2 PRO 93 1HD PRO 93 -7.107 -1.697 -17.086 684 HD3 PRO 93 2HD PRO 93 -7.757 -0.473 -18.196 685 HA PRO 94 HA PRO 94 -2.172 -4.240 -20.247 686 HB2 PRO 94 1HB PRO 94 -0.085 -2.930 -21.387 687 HB3 PRO 94 2HB PRO 94 -1.418 -3.614 -22.325 688 HG2 PRO 94 1HG PRO 94 -0.971 -0.785 -21.455 689 HG3 PRO 94 2HG PRO 94 -1.526 -1.399 -23.023 690 HD2 PRO 94 1HD PRO 94 -3.223 -0.388 -21.171 691 HD3 PRO 94 2HD PRO 94 -3.691 -1.689 -22.285 692 H ASN 95 H ASN 95 -1.801 -4.410 -18.054 693 HA ASN 95 HA ASN 95 -0.826 -4.073 -16.017 694 HB2 ASN 95 1HB ASN 95 1.599 -3.008 -17.416 695 HB3 ASN 95 2HB ASN 95 1.495 -4.125 -16.059 696 HD21 ASN 95 2HD2 ASN 95 1.178 -3.783 -19.519 697 HD22 ASN 95 1HD2 ASN 95 1.333 -5.462 -19.894 698 H ALA 96 H ALA 96 -2.460 -2.140 -16.107 699 HA ALA 96 HA ALA 96 -0.933 0.280 -15.411 700 HB1 ALA 96 1HB ALA 96 -3.652 0.707 -16.457 701 HB2 ALA 96 2HB ALA 96 -2.173 1.633 -16.718 702 HB3 ALA 96 3HB ALA 96 -2.459 0.152 -17.632 703 H THR 97 H THR 97 -1.711 1.495 -13.689 704 HA THR 97 HA THR 97 -2.893 0.143 -11.575 705 HB THR 97 HB THR 97 -3.159 3.124 -11.834 706 HG1 THR 97 HG1 THR 97 -0.767 1.751 -11.117 707 HG21 THR 97 3HG2 THR 97 -2.433 1.330 -9.515 708 HG22 THR 97 1HG2 THR 97 -4.035 1.999 -9.822 709 HG23 THR 97 2HG2 THR 97 -2.688 3.073 -9.447 710 H LEU 98 H LEU 98 -4.928 -0.267 -10.955 711 HA LEU 98 HA LEU 98 -7.113 1.039 -12.440 712 HB2 LEU 98 1HB LEU 98 -6.661 -1.823 -11.745 713 HB3 LEU 98 2HB LEU 98 -8.314 -1.216 -11.816 714 HG LEU 98 HG LEU 98 -7.185 -0.353 -14.195 715 HD11 LEU 98 1HD1 LEU 98 -5.499 -2.340 -13.286 716 HD12 LEU 98 2HD1 LEU 98 -5.664 -1.790 -14.953 717 HD13 LEU 98 3HD1 LEU 98 -6.585 -3.185 -14.391 718 HD21 LEU 98 3HD2 LEU 98 -8.796 -1.707 -15.193 719 HD22 LEU 98 1HD2 LEU 98 -9.458 -1.390 -13.589 720 HD23 LEU 98 2HD2 LEU 98 -8.683 -2.937 -13.933 721 H THR 99 H THR 99 -8.989 1.540 -11.302 722 HA THR 99 HA THR 99 -8.773 1.329 -8.368 723 HB THR 99 HB THR 99 -10.041 3.596 -9.918 724 HG1 THR 99 HG1 THR 99 -8.221 4.761 -9.341 725 HG21 THR 99 3HG2 THR 99 -10.344 4.676 -7.812 726 HG22 THR 99 1HG2 THR 99 -9.429 3.426 -6.969 727 HG23 THR 99 2HG2 THR 99 -11.008 3.049 -7.658 728 H PHE 100 H PHE 100 -10.136 -0.305 -7.892 729 HA PHE 100 HA PHE 100 -12.805 -0.306 -9.113 730 HB2 PHE 100 1HB PHE 100 -11.230 -2.450 -7.688 731 HB3 PHE 100 2HB PHE 100 -12.936 -2.629 -8.085 732 HD1 PHE 100 HD1 PHE 100 -9.540 -2.398 -9.437 733 HD2 PHE 100 HD2 PHE 100 -13.656 -2.984 -10.347 734 HE1 PHE 100 HE1 PHE 100 -8.927 -3.196 -11.683 735 HE2 PHE 100 HE2 PHE 100 -13.050 -3.784 -12.593 736 HZ PHE 100 HZ PHE 100 -10.683 -3.892 -13.263 737 H ASP 101 H ASP 101 -14.389 0.583 -7.985 738 HA ASP 101 HA ASP 101 -14.117 1.276 -5.233 739 HB2 ASP 101 1HB ASP 101 -16.439 1.399 -7.157 740 HB3 ASP 101 2HB ASP 101 -16.561 1.932 -5.483 741 H VAL 102 H VAL 102 -14.487 0.048 -3.519 742 HA VAL 102 HA VAL 102 -16.113 -2.383 -3.854 743 HB VAL 102 HB VAL 102 -14.944 -3.034 -1.641 744 HG11 VAL 102 1HG1 VAL 102 -14.493 -4.235 -3.644 745 HG12 VAL 102 2HG1 VAL 102 -13.526 -2.910 -4.295 746 HG13 VAL 102 3HG1 VAL 102 -12.935 -3.840 -2.917 747 HG21 VAL 102 3HG2 VAL 102 -12.789 -2.031 -1.240 748 HG22 VAL 102 1HG2 VAL 102 -12.981 -0.974 -2.639 749 HG23 VAL 102 2HG2 VAL 102 -14.022 -0.769 -1.230 750 H GLU 103 H GLU 103 -17.827 -2.785 -2.538 751 HA GLU 103 HA GLU 103 -18.398 -0.846 -0.402 752 HB2 GLU 103 1HB GLU 103 -19.810 -0.094 -2.128 753 HB3 GLU 103 2HB GLU 103 -20.200 -1.729 -2.640 754 HG2 GLU 103 1HG GLU 103 -22.080 -0.669 -1.520 755 HG3 GLU 103 2HG GLU 103 -21.505 -2.075 -0.625 756 H LEU 104 H LEU 104 -18.208 -2.047 1.385 757 HA LEU 104 HA LEU 104 -18.696 -4.819 1.538 758 HB2 LEU 104 1HB LEU 104 -17.399 -3.116 3.103 759 HB3 LEU 104 2HB LEU 104 -18.933 -3.130 3.971 760 HG LEU 104 HG LEU 104 -17.606 -4.713 5.068 761 HD11 LEU 104 1HD1 LEU 104 -18.806 -6.703 4.848 762 HD12 LEU 104 2HD1 LEU 104 -19.064 -6.466 3.120 763 HD13 LEU 104 3HD1 LEU 104 -19.924 -5.460 4.286 764 HD21 LEU 104 3HD2 LEU 104 -16.848 -6.570 3.059 765 HD22 LEU 104 1HD2 LEU 104 -15.815 -5.597 4.106 766 HD23 LEU 104 2HD2 LEU 104 -16.334 -4.962 2.544 767 H LEU 105 H LEU 105 -20.496 -5.963 1.881 768 HA LEU 105 HA LEU 105 -22.964 -4.480 2.503 769 HB2 LEU 105 1HB LEU 105 -22.405 -6.834 0.752 770 HB3 LEU 105 2HB LEU 105 -24.006 -6.636 1.463 771 HG LEU 105 HG LEU 105 -22.634 -4.671 -0.372 772 HD11 LEU 105 1HD1 LEU 105 -24.623 -6.847 -0.798 773 HD12 LEU 105 2HD1 LEU 105 -23.266 -6.345 -1.805 774 HD13 LEU 105 3HD1 LEU 105 -24.738 -5.375 -1.763 775 HD21 LEU 105 3HD2 LEU 105 -25.389 -4.180 -0.191 776 HD22 LEU 105 1HD2 LEU 105 -24.072 -3.175 0.414 777 HD23 LEU 105 2HD2 LEU 105 -24.818 -4.377 1.467 778 H ARG 106 H ARG 106 -21.032 -7.313 3.233 779 HA ARG 106 HA ARG 106 -21.905 -7.489 5.886 780 HB2 ARG 106 1HB ARG 106 -23.112 -9.737 5.643 781 HB3 ARG 106 2HB ARG 106 -24.008 -8.286 5.215 782 HG2 ARG 106 1HG ARG 106 -24.149 -8.850 3.040 783 HG3 ARG 106 2HG ARG 106 -22.541 -9.579 3.014 784 HD2 ARG 106 1HD ARG 106 -23.310 -11.627 3.638 785 HD3 ARG 106 2HD ARG 106 -24.626 -10.958 4.602 786 HE ARG 106 HE ARG 106 -25.004 -10.540 1.801 787 HH11 ARG 106 1HH1 ARG 106 -25.337 -12.861 4.375 788 HH12 ARG 106 2HH1 ARG 106 -26.605 -13.743 3.590 789 HH21 ARG 106 1HH2 ARG 106 -26.673 -11.693 0.759 790 HH22 ARG 106 2HH2 ARG 106 -27.364 -13.079 1.533 791 H VAL 107 H VAL 107 -21.034 -9.389 7.007 792 HA VAL 107 HA VAL 107 -19.013 -10.873 5.485 793 HB VAL 107 HB VAL 107 -17.926 -8.893 6.555 794 HG11 VAL 107 1HG1 VAL 107 -18.082 -10.163 9.217 795 HG12 VAL 107 2HG1 VAL 107 -18.006 -8.456 8.774 796 HG13 VAL 107 3HG1 VAL 107 -19.533 -9.332 8.657 797 HG21 VAL 107 3HG2 VAL 107 -16.084 -10.139 6.587 798 HG22 VAL 107 1HG2 VAL 107 -16.602 -10.948 8.066 799 HG23 VAL 107 2HG2 VAL 107 -17.107 -11.572 6.496 800 H GLU 108 H GLU 108 -18.509 -12.902 6.294 801 HA GLU 108 HA GLU 108 -19.821 -13.774 8.756 802 HB2 GLU 108 1HB GLU 108 -20.125 -15.326 6.186 803 HB3 GLU 108 2HB GLU 108 -20.885 -15.662 7.735 804 HG2 GLU 108 1HG GLU 108 -21.408 -13.177 6.127 805 HG3 GLU 108 2HG GLU 108 -22.380 -14.643 6.016 Start of MODEL 10 1 H1 MET 1 H MET 1 2.109 -1.823 0.190 2 HA MET 1 HA MET 1 1.465 0.702 -0.974 3 HB2 MET 1 1HB MET 1 4.171 -0.500 -1.578 4 HB3 MET 1 2HB MET 1 3.422 0.781 -2.520 5 HG2 MET 1 1HG MET 1 3.451 2.249 -0.588 6 HG3 MET 1 2HG MET 1 4.143 0.961 0.395 7 HE1 MET 1 3HE MET 1 5.405 2.961 1.007 8 HE2 MET 1 1HE MET 1 7.059 2.375 0.835 9 HE3 MET 1 2HE MET 1 6.555 3.847 0.006 10 H GLY 2 H GLY 2 1.242 0.512 -3.394 11 HA2 GLY 2 1HA GLY 2 0.932 -0.835 -5.330 12 HA3 GLY 2 2HA GLY 2 0.881 -2.256 -4.298 13 H VAL 3 H VAL 3 -0.977 -0.565 -2.499 14 HA VAL 3 HA VAL 3 -3.388 -0.478 -4.125 15 HB VAL 3 HB VAL 3 -3.391 -2.794 -3.442 16 HG11 VAL 3 1HG1 VAL 3 -3.265 -1.867 -0.578 17 HG12 VAL 3 2HG1 VAL 3 -3.229 -3.526 -1.179 18 HG13 VAL 3 3HG1 VAL 3 -1.866 -2.447 -1.482 19 HG21 VAL 3 3HG2 VAL 3 -5.336 -1.780 -1.478 20 HG22 VAL 3 1HG2 VAL 3 -5.451 -1.079 -3.092 21 HG23 VAL 3 2HG2 VAL 3 -5.574 -2.825 -2.878 22 H GLN 4 H GLN 4 -4.506 1.267 -3.578 23 HA GLN 4 HA GLN 4 -4.224 2.313 -0.838 24 HB2 GLN 4 1HB GLN 4 -3.988 3.613 -3.453 25 HB3 GLN 4 2HB GLN 4 -5.053 4.461 -2.340 26 HG2 GLN 4 1HG GLN 4 -2.939 5.406 -2.018 27 HG3 GLN 4 2HG GLN 4 -3.175 4.318 -0.651 28 HE21 GLN 4 2HE2 GLN 4 -1.425 3.235 -0.147 29 HE22 GLN 4 1HE2 GLN 4 -0.218 2.668 -1.244 30 H VAL 5 H VAL 5 -6.037 2.845 0.278 31 HA VAL 5 HA VAL 5 -8.614 2.430 -1.094 32 HB VAL 5 HB VAL 5 -8.255 0.610 0.443 33 HG11 VAL 5 1HG1 VAL 5 -6.930 2.551 1.990 34 HG12 VAL 5 2HG1 VAL 5 -8.283 1.968 2.962 35 HG13 VAL 5 3HG1 VAL 5 -7.097 0.828 2.324 36 HG21 VAL 5 3HG2 VAL 5 -10.253 0.738 1.693 37 HG22 VAL 5 1HG2 VAL 5 -10.148 2.494 1.826 38 HG23 VAL 5 2HG2 VAL 5 -10.518 1.747 0.271 39 H VAL 6 H VAL 6 -9.790 4.214 -1.226 40 HA VAL 6 HA VAL 6 -9.444 6.291 0.837 41 HB VAL 6 HB VAL 6 -10.490 6.764 -1.950 42 HG11 VAL 6 1HG1 VAL 6 -9.817 8.444 0.397 43 HG12 VAL 6 2HG1 VAL 6 -9.443 9.092 -1.201 44 HG13 VAL 6 3HG1 VAL 6 -11.098 8.629 -0.800 45 HG21 VAL 6 3HG2 VAL 6 -8.260 5.914 -2.219 46 HG22 VAL 6 1HG2 VAL 6 -8.224 7.661 -2.456 47 HG23 VAL 6 2HG2 VAL 6 -7.656 6.965 -0.938 48 H THR 7 H THR 7 -11.078 6.265 2.228 49 HA THR 7 HA THR 7 -13.534 5.020 1.904 50 HB THR 7 HB THR 7 -13.067 7.439 3.653 51 HG1 THR 7 HG1 THR 7 -11.672 6.215 4.657 52 HG21 THR 7 3HG2 THR 7 -14.850 5.052 4.113 53 HG22 THR 7 1HG2 THR 7 -15.411 6.553 3.378 54 HG23 THR 7 2HG2 THR 7 -14.800 6.556 5.032 55 H LEU 8 H LEU 8 -15.529 5.634 1.196 56 HA LEU 8 HA LEU 8 -15.754 8.319 0.004 57 HB2 LEU 8 1HB LEU 8 -17.010 5.800 -1.068 58 HB3 LEU 8 2HB LEU 8 -17.048 7.402 -1.802 59 HG LEU 8 HG LEU 8 -14.428 6.024 -1.376 60 HD11 LEU 8 1HD1 LEU 8 -14.607 4.962 -3.543 61 HD12 LEU 8 2HD1 LEU 8 -16.252 5.568 -3.733 62 HD13 LEU 8 3HD1 LEU 8 -15.889 4.383 -2.479 63 HD21 LEU 8 3HD2 LEU 8 -14.848 8.468 -2.172 64 HD22 LEU 8 1HD2 LEU 8 -15.236 7.701 -3.712 65 HD23 LEU 8 2HD2 LEU 8 -13.643 7.472 -2.991 66 H ALA 9 H ALA 9 -17.495 5.578 1.414 67 HA ALA 9 HA ALA 9 -19.458 7.468 2.495 68 HB1 ALA 9 1HB ALA 9 -20.139 6.053 0.332 69 HB2 ALA 9 2HB ALA 9 -20.544 4.874 1.581 70 HB3 ALA 9 3HB ALA 9 -21.287 6.473 1.604 71 H ALA 10 H ALA 10 -19.047 7.292 4.613 72 HA ALA 10 HA ALA 10 -17.959 5.166 5.985 73 HB1 ALA 10 1HB ALA 10 -19.980 7.107 7.097 74 HB2 ALA 10 2HB ALA 10 -18.784 6.184 8.008 75 HB3 ALA 10 3HB ALA 10 -18.261 7.446 6.893 76 H GLY 11 H GLY 11 -18.803 3.486 7.261 77 HA2 GLY 11 1HA GLY 11 -21.622 2.796 6.722 78 HA3 GLY 11 2HA GLY 11 -20.345 1.602 6.544 79 H ASP 12 H ASP 12 -20.339 0.212 8.167 80 HA ASP 12 HA ASP 12 -21.525 0.847 10.705 81 HB2 ASP 12 1HB ASP 12 -21.602 -1.418 9.558 82 HB3 ASP 12 2HB ASP 12 -19.916 -1.616 10.029 83 H GLU 13 H GLU 13 -18.248 0.298 9.496 84 HA GLU 13 HA GLU 13 -16.194 0.679 10.403 85 HB2 GLU 13 1HB GLU 13 -17.902 2.844 11.541 86 HB3 GLU 13 2HB GLU 13 -16.276 2.645 12.179 87 HG2 GLU 13 1HG GLU 13 -15.751 4.070 10.529 88 HG3 GLU 13 2HG GLU 13 -15.738 2.603 9.552 89 H ALA 14 H ALA 14 -18.038 -1.249 11.713 90 HA ALA 14 HA ALA 14 -16.609 -1.415 14.276 91 HB1 ALA 14 1HB ALA 14 -18.473 -1.215 15.459 92 HB2 ALA 14 2HB ALA 14 -19.386 -0.948 13.974 93 HB3 ALA 14 3HB ALA 14 -19.180 -2.584 14.601 94 H THR 15 H THR 15 -18.437 -3.092 11.762 95 HA THR 15 HA THR 15 -17.298 -5.650 12.641 96 HB THR 15 HB THR 15 -19.433 -5.201 10.550 97 HG1 THR 15 HG1 THR 15 -19.894 -4.594 12.866 98 HG21 THR 15 3HG2 THR 15 -18.236 -7.611 11.860 99 HG22 THR 15 1HG2 THR 15 -18.594 -7.327 10.157 100 HG23 THR 15 2HG2 THR 15 -19.905 -7.653 11.292 101 H TYR 16 H TYR 16 -15.459 -6.235 11.707 102 HA TYR 16 HA TYR 16 -15.035 -5.530 8.877 103 HB2 TYR 16 1HB TYR 16 -12.987 -5.806 11.086 104 HB3 TYR 16 2HB TYR 16 -12.597 -5.568 9.386 105 HD1 TYR 16 HD1 TYR 16 -14.465 -4.000 12.203 106 HD2 TYR 16 HD2 TYR 16 -12.391 -3.410 8.535 107 HE1 TYR 16 HE1 TYR 16 -14.613 -1.565 12.518 108 HE2 TYR 16 HE2 TYR 16 -12.533 -0.973 8.840 109 HH TYR 16 HH TYR 16 -13.702 0.670 10.013 110 HA PRO 17 HA PRO 17 -14.617 -9.795 7.925 111 HB2 PRO 17 1HB PRO 17 -12.778 -9.710 5.929 112 HB3 PRO 17 2HB PRO 17 -14.446 -9.162 5.722 113 HG2 PRO 17 1HG PRO 17 -11.974 -7.554 6.240 114 HG3 PRO 17 2HG PRO 17 -13.306 -7.228 5.115 115 HD2 PRO 17 1HD PRO 17 -13.102 -6.008 7.523 116 HD3 PRO 17 2HD PRO 17 -14.666 -6.383 6.772 117 H LYS 18 H LYS 18 -13.558 -11.441 8.836 118 HA LYS 18 HA LYS 18 -10.985 -10.960 10.087 119 HB2 LYS 18 1HB LYS 18 -13.015 -12.237 11.092 120 HB3 LYS 18 2HB LYS 18 -12.440 -13.587 10.122 121 HG2 LYS 18 1HG LYS 18 -10.386 -13.674 11.294 122 HG3 LYS 18 2HG LYS 18 -10.695 -12.126 12.085 123 HD2 LYS 18 1HD LYS 18 -12.352 -13.041 13.472 124 HD3 LYS 18 2HD LYS 18 -12.515 -14.485 12.470 125 HE2 LYS 18 1HE LYS 18 -10.341 -15.263 13.163 126 HE3 LYS 18 2HE LYS 18 -10.047 -13.768 14.049 127 HZ1 LYS 18 3HZ LYS 18 -11.808 -16.015 14.733 128 HZ2 LYS 18 1HZ LYS 18 -12.210 -14.467 15.283 129 HZ3 LYS 18 2HZ LYS 18 -10.729 -15.158 15.714 130 H ALA 19 H ALA 19 -9.074 -11.943 9.570 131 HA ALA 19 HA ALA 19 -8.566 -12.642 6.924 132 HB1 ALA 19 1HB ALA 19 -6.683 -11.970 8.064 133 HB2 ALA 19 2HB ALA 19 -7.049 -12.965 9.474 134 HB3 ALA 19 3HB ALA 19 -6.443 -13.716 7.998 135 H GLY 20 H GLY 20 -9.350 -14.337 5.857 136 HA2 GLY 20 1HA GLY 20 -9.232 -16.682 5.396 137 HA3 GLY 20 2HA GLY 20 -9.162 -16.983 7.126 138 H GLN 21 H GLN 21 -11.442 -14.680 6.804 139 HA GLN 21 HA GLN 21 -13.588 -16.673 6.846 140 HB2 GLN 21 1HB GLN 21 -13.052 -14.279 8.321 141 HB3 GLN 21 2HB GLN 21 -14.583 -14.094 7.475 142 HG2 GLN 21 1HG GLN 21 -14.982 -16.523 8.462 143 HG3 GLN 21 2HG GLN 21 -13.828 -15.942 9.661 144 HE21 GLN 21 2HE2 GLN 21 -14.496 -13.301 9.838 145 HE22 GLN 21 1HE2 GLN 21 -16.093 -13.141 10.476 146 H VAL 22 H VAL 22 -15.678 -16.053 5.847 147 HA VAL 22 HA VAL 22 -15.218 -15.136 3.142 148 HB VAL 22 HB VAL 22 -17.836 -15.998 4.372 149 HG11 VAL 22 1HG1 VAL 22 -16.856 -15.654 1.553 150 HG12 VAL 22 2HG1 VAL 22 -18.265 -16.641 1.946 151 HG13 VAL 22 3HG1 VAL 22 -18.259 -14.919 2.327 152 HG21 VAL 22 3HG2 VAL 22 -16.836 -17.990 4.637 153 HG22 VAL 22 1HG2 VAL 22 -16.980 -18.117 2.884 154 HG23 VAL 22 2HG2 VAL 22 -15.474 -17.553 3.607 155 H ALA 23 H ALA 23 -16.048 -13.320 2.190 156 HA ALA 23 HA ALA 23 -17.709 -11.523 3.795 157 HB1 ALA 23 1HB ALA 23 -15.580 -10.669 4.325 158 HB2 ALA 23 2HB ALA 23 -15.013 -10.829 2.662 159 HB3 ALA 23 3HB ALA 23 -16.214 -9.604 3.070 160 H VAL 24 H VAL 24 -19.121 -10.304 2.621 161 HA VAL 24 HA VAL 24 -19.055 -10.683 -0.302 162 HB VAL 24 HB VAL 24 -21.508 -10.073 1.344 163 HG11 VAL 24 1HG1 VAL 24 -21.912 -9.474 -0.882 164 HG12 VAL 24 2HG1 VAL 24 -21.015 -10.858 -1.511 165 HG13 VAL 24 3HG1 VAL 24 -22.583 -11.099 -0.741 166 HG21 VAL 24 3HG2 VAL 24 -21.797 -12.661 0.512 167 HG22 VAL 24 1HG2 VAL 24 -20.087 -12.597 0.940 168 HG23 VAL 24 2HG2 VAL 24 -21.311 -12.162 2.133 169 H VAL 25 H VAL 25 -18.725 -8.930 -1.490 170 HA VAL 25 HA VAL 25 -19.705 -6.336 -0.569 171 HB VAL 25 HB VAL 25 -17.667 -5.190 -0.779 172 HG11 VAL 25 1HG1 VAL 25 -16.335 -6.104 0.913 173 HG12 VAL 25 2HG1 VAL 25 -17.944 -6.754 1.232 174 HG13 VAL 25 3HG1 VAL 25 -16.725 -7.761 0.450 175 HG21 VAL 25 3HG2 VAL 25 -16.882 -7.526 -2.401 176 HG22 VAL 25 1HG2 VAL 25 -16.507 -5.816 -2.613 177 HG23 VAL 25 2HG2 VAL 25 -15.600 -6.779 -1.448 178 H HIS 26 H HIS 26 -19.486 -4.657 -2.306 179 HA HIS 26 HA HIS 26 -19.934 -5.907 -4.932 180 HB2 HIS 26 1HB HIS 26 -21.272 -3.734 -3.474 181 HB3 HIS 26 2HB HIS 26 -20.939 -3.368 -5.164 182 HD1 HIS 26 HD1 HIS 26 -21.812 -5.386 -6.861 183 HD2 HIS 26 HD2 HIS 26 -23.590 -5.074 -3.119 184 HE1 HIS 26 HE1 HIS 26 -23.990 -6.629 -7.046 185 H TYR 27 H TYR 27 -18.473 -5.559 -6.460 186 HA TYR 27 HA TYR 27 -16.537 -3.385 -6.088 187 HB2 TYR 27 1HB TYR 27 -15.088 -4.618 -7.605 188 HB3 TYR 27 2HB TYR 27 -15.637 -5.678 -6.312 189 HD1 TYR 27 HD2 TYR 27 -16.159 -4.805 -9.873 190 HD2 TYR 27 HD1 TYR 27 -16.848 -7.652 -6.788 191 HE1 TYR 27 HE2 TYR 27 -16.975 -6.412 -11.547 192 HE2 TYR 27 HE1 TYR 27 -17.664 -9.268 -8.453 193 HH TYR 27 HH TYR 27 -18.558 -8.453 -11.520 194 H THR 28 H THR 28 -16.080 -1.915 -7.712 195 HA THR 28 HA THR 28 -17.788 -1.970 -10.100 196 HB THR 28 HB THR 28 -17.428 0.424 -8.289 197 HG1 THR 28 HG1 THR 28 -19.108 -0.637 -7.451 198 HG21 THR 28 3HG2 THR 28 -18.001 0.252 -11.110 199 HG22 THR 28 1HG2 THR 28 -17.755 1.679 -10.104 200 HG23 THR 28 2HG2 THR 28 -19.361 0.962 -10.239 201 H GLY 29 H GLY 29 -16.701 -1.560 -11.920 202 HA2 GLY 29 1HA GLY 29 -13.903 -1.151 -11.904 203 HA3 GLY 29 2HA GLY 29 -14.944 -1.080 -13.319 204 H THR 30 H THR 30 -12.645 0.606 -12.434 205 HA THR 30 HA THR 30 -13.681 3.108 -13.266 206 HB THR 30 HB THR 30 -12.593 3.840 -10.740 207 HG1 THR 30 HG1 THR 30 -14.234 2.854 -9.405 208 HG21 THR 30 3HG2 THR 30 -15.488 3.975 -11.549 209 HG22 THR 30 1HG2 THR 30 -14.262 5.021 -12.263 210 HG23 THR 30 2HG2 THR 30 -14.582 5.093 -10.530 211 H LEU 31 H LEU 31 -12.073 4.454 -13.956 212 HA LEU 31 HA LEU 31 -9.347 3.409 -13.729 213 HB2 LEU 31 1HB LEU 31 -10.726 5.228 -15.667 214 HB3 LEU 31 2HB LEU 31 -8.967 5.196 -15.562 215 HG LEU 31 HG LEU 31 -10.749 2.867 -16.276 216 HD11 LEU 31 1HD1 LEU 31 -10.334 4.824 -17.930 217 HD12 LEU 31 2HD1 LEU 31 -10.134 3.162 -18.481 218 HD13 LEU 31 3HD1 LEU 31 -8.719 4.130 -18.069 219 HD21 LEU 31 3HD2 LEU 31 -9.037 1.612 -15.600 220 HD22 LEU 31 1HD2 LEU 31 -7.996 3.017 -15.374 221 HD23 LEU 31 2HD2 LEU 31 -8.138 2.273 -16.967 222 H ALA 32 H ALA 32 -7.567 4.979 -13.522 223 HA ALA 32 HA ALA 32 -7.828 6.564 -11.234 224 HB1 ALA 32 1HB ALA 32 -5.607 7.594 -12.402 225 HB2 ALA 32 2HB ALA 32 -5.642 6.100 -11.465 226 HB3 ALA 32 3HB ALA 32 -5.736 6.039 -13.225 227 H ASP 33 H ASP 33 -8.536 7.254 -14.524 228 HA ASP 33 HA ASP 33 -8.359 10.122 -14.256 229 HB2 ASP 33 1HB ASP 33 -9.616 8.461 -16.451 230 HB3 ASP 33 2HB ASP 33 -9.259 10.184 -16.529 231 H GLY 34 H GLY 34 -10.642 7.721 -13.499 232 HA2 GLY 34 1HA GLY 34 -12.518 8.388 -12.105 233 HA3 GLY 34 2HA GLY 34 -12.695 9.808 -13.125 234 H LYS 35 H LYS 35 -12.113 7.849 -15.455 235 HA LYS 35 HA LYS 35 -14.702 7.581 -16.391 236 HB2 LYS 35 1HB LYS 35 -12.290 7.191 -17.488 237 HB3 LYS 35 2HB LYS 35 -12.738 5.511 -17.222 238 HG2 LYS 35 1HG LYS 35 -14.544 5.630 -18.676 239 HG3 LYS 35 2HG LYS 35 -14.611 7.392 -18.602 240 HD2 LYS 35 1HD LYS 35 -12.106 6.215 -19.640 241 HD3 LYS 35 2HD LYS 35 -13.536 6.035 -20.658 242 HE2 LYS 35 1HE LYS 35 -12.731 8.049 -21.405 243 HE3 LYS 35 2HE LYS 35 -13.839 8.588 -20.144 244 HZ1 LYS 35 3HZ LYS 35 -11.136 9.137 -20.349 245 HZ2 LYS 35 1HZ LYS 35 -11.288 8.073 -19.042 246 HZ3 LYS 35 2HZ LYS 35 -12.165 9.519 -19.061 247 H VAL 36 H VAL 36 -16.347 6.349 -15.786 248 HA VAL 36 HA VAL 36 -16.008 4.240 -13.873 249 HB VAL 36 HB VAL 36 -17.993 5.793 -13.962 250 HG11 VAL 36 1HG1 VAL 36 -18.358 5.701 -16.383 251 HG12 VAL 36 2HG1 VAL 36 -18.817 4.002 -16.246 252 HG13 VAL 36 3HG1 VAL 36 -19.809 5.249 -15.489 253 HG21 VAL 36 3HG2 VAL 36 -17.790 3.161 -13.147 254 HG22 VAL 36 1HG2 VAL 36 -19.068 4.294 -12.706 255 HG23 VAL 36 2HG2 VAL 36 -19.294 3.197 -14.068 256 H PHE 37 H PHE 37 -16.318 2.049 -14.141 257 HA PHE 37 HA PHE 37 -16.515 1.094 -16.920 258 HB2 PHE 37 1HB PHE 37 -14.523 0.480 -14.816 259 HB3 PHE 37 2HB PHE 37 -15.098 -0.891 -15.759 260 HD1 PHE 37 HD1 PHE 37 -13.780 2.564 -16.211 261 HD2 PHE 37 HD2 PHE 37 -14.050 -1.397 -17.744 262 HE1 PHE 37 HE1 PHE 37 -12.221 3.162 -18.019 263 HE2 PHE 37 HE2 PHE 37 -12.491 -0.806 -19.554 264 HZ PHE 37 HZ PHE 37 -11.574 1.475 -19.692 265 H ASP 38 H ASP 38 -16.731 -1.542 -16.623 266 HA ASP 38 HA ASP 38 -19.379 -1.976 -15.915 267 HB2 ASP 38 1HB ASP 38 -17.551 -3.441 -17.222 268 HB3 ASP 38 2HB ASP 38 -17.516 -4.278 -15.673 269 H SER 39 H SER 39 -20.424 -2.375 -14.068 270 HA SER 39 HA SER 39 -18.817 -2.953 -11.665 271 HB2 SER 39 1HB SER 39 -21.386 -1.539 -11.279 272 HB3 SER 39 2HB SER 39 -19.836 -1.308 -10.470 273 HG SER 39 HG SER 39 -20.531 -0.409 -13.073 274 H SER 40 H SER 40 -19.690 -4.361 -10.149 275 HA SER 40 HA SER 40 -21.535 -6.292 -11.212 276 HB2 SER 40 1HB SER 40 -19.467 -6.364 -9.355 277 HB3 SER 40 2HB SER 40 -20.918 -6.596 -8.380 278 HG SER 40 HG SER 40 -19.824 -8.503 -9.459 279 H ARG 41 H ARG 41 -21.772 -3.487 -9.282 280 HA ARG 41 HA ARG 41 -24.140 -4.230 -7.844 281 HB2 ARG 41 1HB ARG 41 -24.223 -1.861 -7.192 282 HB3 ARG 41 2HB ARG 41 -22.624 -2.549 -6.939 283 HG2 ARG 41 1HG ARG 41 -21.975 -0.634 -7.930 284 HG3 ARG 41 2HG ARG 41 -22.283 -1.560 -9.400 285 HD2 ARG 41 1HD ARG 41 -23.301 0.647 -9.536 286 HD3 ARG 41 2HD ARG 41 -24.534 -0.613 -9.524 287 HE ARG 41 HE ARG 41 -24.237 0.143 -6.901 288 HH11 ARG 41 1HH1 ARG 41 -25.074 1.720 -9.889 289 HH12 ARG 41 2HH1 ARG 41 -26.086 2.905 -9.132 290 HH21 ARG 41 1HH2 ARG 41 -25.567 1.697 -5.892 291 HH22 ARG 41 2HH2 ARG 41 -26.365 2.891 -6.858 292 H THR 42 H THR 42 -23.446 -2.973 -10.972 293 HA THR 42 HA THR 42 -25.846 -1.615 -11.520 294 HB THR 42 HB THR 42 -24.148 -3.123 -13.514 295 HG1 THR 42 HG1 THR 42 -23.181 -0.951 -13.742 296 HG21 THR 42 3HG2 THR 42 -25.687 -2.398 -14.961 297 HG22 THR 42 1HG2 THR 42 -25.113 -0.764 -14.630 298 HG23 THR 42 2HG2 THR 42 -26.481 -1.419 -13.728 299 H ARG 43 H ARG 43 -25.062 -4.994 -11.412 300 HA ARG 43 HA ARG 43 -27.764 -5.633 -12.402 301 HB2 ARG 43 1HB ARG 43 -25.713 -6.459 -13.725 302 HB3 ARG 43 2HB ARG 43 -25.467 -7.575 -12.388 303 HG2 ARG 43 1HG ARG 43 -26.853 -8.976 -13.394 304 HG3 ARG 43 2HG ARG 43 -28.159 -7.832 -13.077 305 HD2 ARG 43 1HD ARG 43 -28.245 -8.217 -15.389 306 HD3 ARG 43 2HD ARG 43 -27.432 -6.661 -15.219 307 HE ARG 43 HE ARG 43 -25.422 -8.530 -15.291 308 HH11 ARG 43 1HH1 ARG 43 -28.041 -7.580 -17.379 309 HH12 ARG 43 2HH1 ARG 43 -27.208 -8.011 -18.836 310 HH21 ARG 43 1HH2 ARG 43 -24.315 -9.101 -17.202 311 HH22 ARG 43 2HH2 ARG 43 -25.090 -8.877 -18.734 312 H GLY 44 H GLY 44 -26.622 -5.022 -9.636 313 HA2 GLY 44 1HA GLY 44 -26.865 -5.788 -7.484 314 HA3 GLY 44 2HA GLY 44 -28.284 -6.614 -8.112 315 H LYS 45 H LYS 45 -24.959 -7.238 -9.086 316 HA LYS 45 HA LYS 45 -25.237 -9.954 -7.983 317 HB2 LYS 45 1HB LYS 45 -23.931 -8.867 -10.436 318 HB3 LYS 45 2HB LYS 45 -23.232 -10.296 -9.685 319 HG2 LYS 45 1HG LYS 45 -25.734 -11.129 -9.756 320 HG3 LYS 45 2HG LYS 45 -25.834 -9.957 -11.073 321 HD2 LYS 45 1HD LYS 45 -24.114 -11.061 -12.293 322 HD3 LYS 45 2HD LYS 45 -23.709 -12.087 -10.915 323 HE2 LYS 45 1HE LYS 45 -24.959 -13.477 -12.316 324 HE3 LYS 45 2HE LYS 45 -26.113 -12.949 -11.092 325 HZ1 LYS 45 3HZ LYS 45 -27.221 -12.714 -13.117 326 HZ2 LYS 45 1HZ LYS 45 -25.877 -12.044 -13.897 327 HZ3 LYS 45 2HZ LYS 45 -26.721 -11.142 -12.742 328 HA PRO 46 HA PRO 46 -22.008 -8.043 -5.335 329 HB2 PRO 46 1HB PRO 46 -22.674 -9.481 -3.130 330 HB3 PRO 46 2HB PRO 46 -23.493 -7.981 -3.582 331 HG2 PRO 46 1HG PRO 46 -24.346 -10.815 -4.033 332 HG3 PRO 46 2HG PRO 46 -25.312 -9.427 -3.499 333 HD2 PRO 46 1HD PRO 46 -25.337 -10.323 -6.054 334 HD3 PRO 46 2HD PRO 46 -25.552 -8.610 -5.641 335 H PHE 47 H PHE 47 -20.033 -8.873 -4.762 336 HA PHE 47 HA PHE 47 -19.550 -11.666 -5.524 337 HB2 PHE 47 1HB PHE 47 -18.271 -9.705 -6.588 338 HB3 PHE 47 2HB PHE 47 -17.423 -9.588 -5.050 339 HD1 PHE 47 HD1 PHE 47 -18.435 -12.330 -7.377 340 HD2 PHE 47 HD2 PHE 47 -15.351 -10.550 -5.045 341 HE1 PHE 47 HE1 PHE 47 -16.872 -14.082 -8.112 342 HE2 PHE 47 HE2 PHE 47 -13.783 -12.299 -5.777 343 HZ PHE 47 HZ PHE 47 -14.542 -14.068 -7.313 344 H ARG 48 H ARG 48 -18.889 -13.146 -4.085 345 HA ARG 48 HA ARG 48 -18.096 -12.217 -1.405 346 HB2 ARG 48 1HB ARG 48 -19.289 -14.172 -0.459 347 HB3 ARG 48 2HB ARG 48 -20.367 -13.033 -1.254 348 HG2 ARG 48 1HG ARG 48 -20.994 -14.516 -2.816 349 HG3 ARG 48 2HG ARG 48 -19.374 -15.201 -2.965 350 HD2 ARG 48 1HD ARG 48 -19.866 -16.183 -0.607 351 HD3 ARG 48 2HD ARG 48 -21.551 -15.878 -1.029 352 HE ARG 48 HE ARG 48 -21.463 -17.616 -2.528 353 HH11 ARG 48 1HH1 ARG 48 -18.240 -16.804 -1.492 354 HH12 ARG 48 2HH1 ARG 48 -17.513 -18.193 -2.231 355 HH21 ARG 48 1HH2 ARG 48 -20.517 -19.447 -3.505 356 HH22 ARG 48 2HH2 ARG 48 -18.809 -19.695 -3.376 357 H PHE 49 H PHE 49 -16.415 -13.268 -0.446 358 HA PHE 49 HA PHE 49 -15.451 -15.807 -1.296 359 HB2 PHE 49 1HB PHE 49 -13.327 -15.107 -2.265 360 HB3 PHE 49 2HB PHE 49 -14.663 -14.437 -3.195 361 HD1 PHE 49 HD2 PHE 49 -11.915 -13.680 -0.903 362 HD2 PHE 49 HD1 PHE 49 -15.093 -12.069 -3.231 363 HE1 PHE 49 HE2 PHE 49 -10.966 -11.426 -0.633 364 HE2 PHE 49 HE1 PHE 49 -14.149 -9.813 -2.966 365 HZ PHE 49 HZ PHE 49 -12.083 -9.489 -1.664 366 H THR 50 H THR 50 -13.203 -16.221 -0.294 367 HA THR 50 HA THR 50 -13.352 -15.344 2.467 368 HB THR 50 HB THR 50 -11.437 -17.298 1.177 369 HG1 THR 50 HG1 THR 50 -14.022 -17.536 2.227 370 HG21 THR 50 3HG2 THR 50 -10.635 -16.308 3.301 371 HG22 THR 50 1HG2 THR 50 -10.958 -18.037 3.434 372 HG23 THR 50 2HG2 THR 50 -12.108 -16.872 4.090 373 H VAL 51 H VAL 51 -12.406 -13.494 3.017 374 HA VAL 51 HA VAL 51 -10.431 -12.168 1.523 375 HB VAL 51 HB VAL 51 -10.933 -11.784 4.473 376 HG11 VAL 51 1HG1 VAL 51 -9.222 -10.358 4.099 377 HG12 VAL 51 2HG1 VAL 51 -9.513 -10.293 2.360 378 HG13 VAL 51 3HG1 VAL 51 -10.503 -9.330 3.457 379 HG21 VAL 51 3HG2 VAL 51 -12.474 -9.904 3.399 380 HG22 VAL 51 1HG2 VAL 51 -12.598 -11.105 2.113 381 HG23 VAL 51 2HG2 VAL 51 -13.080 -11.520 3.758 382 H GLY 52 H GLY 52 -8.511 -13.106 1.132 383 HA2 GLY 52 1HA GLY 52 -6.266 -13.170 2.250 384 HA3 GLY 52 2HA GLY 52 -7.036 -14.201 3.447 385 H ARG 53 H ARG 53 -8.601 -15.346 1.027 386 HA ARG 53 HA ARG 53 -6.824 -17.564 0.626 387 HB2 ARG 53 1HB ARG 53 -9.622 -16.897 -0.188 388 HB3 ARG 53 2HB ARG 53 -8.780 -18.192 -1.027 389 HG2 ARG 53 1HG ARG 53 -9.060 -18.087 1.963 390 HG3 ARG 53 2HG ARG 53 -10.223 -18.890 0.906 391 HD2 ARG 53 1HD ARG 53 -7.276 -19.519 0.971 392 HD3 ARG 53 2HD ARG 53 -8.495 -20.402 1.889 393 HE ARG 53 HE ARG 53 -9.364 -20.454 -0.715 394 HH11 ARG 53 1HH1 ARG 53 -6.512 -21.475 1.000 395 HH12 ARG 53 2HH1 ARG 53 -6.176 -22.789 -0.078 396 HH21 ARG 53 1HH2 ARG 53 -8.932 -22.181 -2.141 397 HH22 ARG 53 2HH2 ARG 53 -7.553 -23.189 -1.865 398 H GLY 54 H GLY 54 -6.682 -18.462 -1.720 399 HA2 GLY 54 1HA GLY 54 -5.437 -16.349 -3.308 400 HA3 GLY 54 2HA GLY 54 -5.237 -18.079 -3.541 401 H GLU 55 H GLU 55 -8.457 -17.013 -3.109 402 HA GLU 55 HA GLU 55 -9.098 -17.757 -5.827 403 HB2 GLU 55 1HB GLU 55 -10.890 -16.800 -3.588 404 HB3 GLU 55 2HB GLU 55 -11.436 -17.463 -5.122 405 HG2 GLU 55 1HG GLU 55 -10.224 -19.574 -4.535 406 HG3 GLU 55 2HG GLU 55 -9.953 -18.891 -2.933 407 H VAL 56 H VAL 56 -8.655 -14.858 -3.997 408 HA VAL 56 HA VAL 56 -9.656 -13.264 -6.266 409 HB VAL 56 HB VAL 56 -9.744 -11.369 -4.581 410 HG11 VAL 56 1HG1 VAL 56 -11.657 -12.947 -5.409 411 HG12 VAL 56 2HG1 VAL 56 -11.624 -13.530 -3.744 412 HG13 VAL 56 3HG1 VAL 56 -11.942 -11.827 -4.076 413 HG21 VAL 56 3HG2 VAL 56 -8.388 -13.071 -2.957 414 HG22 VAL 56 1HG2 VAL 56 -9.311 -11.677 -2.397 415 HG23 VAL 56 2HG2 VAL 56 -10.039 -13.283 -2.373 416 H ILE 57 H ILE 57 -8.530 -10.920 -6.028 417 HA ILE 57 HA ILE 57 -5.691 -11.469 -6.412 418 HB ILE 57 HB ILE 57 -5.612 -9.156 -7.339 419 HG12 ILE 57 1HG1 ILE 57 -8.578 -9.091 -7.505 420 HG13 ILE 57 2HG1 ILE 57 -7.860 -8.674 -5.953 421 HG21 ILE 57 1HG2 ILE 57 -5.799 -10.822 -8.954 422 HG22 ILE 57 2HG2 ILE 57 -7.448 -11.230 -8.479 423 HG23 ILE 57 3HG2 ILE 57 -7.125 -9.726 -9.342 424 HD11 ILE 57 3HD1 ILE 57 -7.476 -7.316 -8.599 425 HD12 ILE 57 1HD1 ILE 57 -8.151 -6.652 -7.112 426 HD13 ILE 57 2HD1 ILE 57 -6.429 -7.019 -7.212 427 H ARG 58 H ARG 58 -4.071 -9.998 -5.554 428 HA ARG 58 HA ARG 58 -4.148 -9.709 -2.812 429 HB2 ARG 58 1HB ARG 58 -2.529 -8.089 -4.786 430 HB3 ARG 58 2HB ARG 58 -2.201 -8.212 -3.063 431 HG2 ARG 58 1HG ARG 58 -2.274 -10.625 -4.843 432 HG3 ARG 58 2HG ARG 58 -0.814 -9.659 -4.621 433 HD2 ARG 58 1HD ARG 58 -2.388 -10.952 -2.397 434 HD3 ARG 58 2HD ARG 58 -0.924 -11.621 -3.117 435 HE ARG 58 HE ARG 58 -0.178 -9.132 -2.326 436 HH11 ARG 58 1HH1 ARG 58 -1.680 -11.836 -0.728 437 HH12 ARG 58 2HH1 ARG 58 -1.000 -11.465 0.822 438 HH21 ARG 58 1HH2 ARG 58 0.723 -8.633 -0.291 439 HH22 ARG 58 2HH2 ARG 58 0.366 -9.642 1.069 440 H GLY 59 H GLY 59 -4.847 -7.266 -5.294 441 HA2 GLY 59 1HA GLY 59 -5.198 -5.031 -3.729 442 HA3 GLY 59 2HA GLY 59 -6.124 -5.357 -5.187 443 H TRP 60 H TRP 60 -7.887 -7.141 -4.751 444 HA TRP 60 HA TRP 60 -9.824 -6.014 -3.114 445 HB2 TRP 60 1HB TRP 60 -9.523 -8.763 -4.299 446 HB3 TRP 60 2HB TRP 60 -10.909 -8.352 -3.292 447 HD1 TRP 60 HD1 TRP 60 -10.618 -5.232 -4.794 448 HE1 TRP 60 HE1 TRP 60 -11.904 -5.012 -7.013 449 HE3 TRP 60 HE3 TRP 60 -11.270 -10.192 -5.849 450 HZ2 TRP 60 HZ2 TRP 60 -13.045 -6.716 -8.953 451 HZ3 TRP 60 HZ3 TRP 60 -12.470 -10.812 -7.905 452 HH2 TRP 60 HH2 TRP 60 -13.339 -9.109 -9.424 453 H ASP 61 H ASP 61 -7.606 -8.693 -2.447 454 HA ASP 61 HA ASP 61 -8.559 -9.586 -0.033 455 HB2 ASP 61 1HB ASP 61 -6.515 -10.377 -1.401 456 HB3 ASP 61 2HB ASP 61 -5.610 -9.185 -0.472 457 H GLU 62 H GLU 62 -5.956 -7.161 -0.340 458 HA GLU 62 HA GLU 62 -6.069 -6.372 2.366 459 HB2 GLU 62 1HB GLU 62 -4.992 -4.897 -0.044 460 HB3 GLU 62 2HB GLU 62 -4.710 -4.429 1.627 461 HG2 GLU 62 1HG GLU 62 -3.598 -6.595 2.013 462 HG3 GLU 62 2HG GLU 62 -3.813 -6.979 0.306 463 H GLY 63 H GLY 63 -7.453 -4.943 -0.577 464 HA2 GLY 63 1HA GLY 63 -8.523 -2.620 0.448 465 HA3 GLY 63 2HA GLY 63 -9.258 -3.547 -0.851 466 H VAL 64 H VAL 64 -10.401 -5.627 0.048 467 HA VAL 64 HA VAL 64 -12.583 -4.751 1.590 468 HB VAL 64 HB VAL 64 -12.621 -6.658 -0.038 469 HG11 VAL 64 1HG1 VAL 64 -11.625 -8.664 0.351 470 HG12 VAL 64 2HG1 VAL 64 -10.497 -7.635 1.237 471 HG13 VAL 64 3HG1 VAL 64 -11.757 -8.515 2.103 472 HG21 VAL 64 3HG2 VAL 64 -14.270 -6.161 1.954 473 HG22 VAL 64 1HG2 VAL 64 -14.439 -7.617 0.973 474 HG23 VAL 64 2HG2 VAL 64 -13.656 -7.702 2.551 475 H ALA 65 H ALA 65 -9.612 -6.404 2.446 476 HA ALA 65 HA ALA 65 -10.274 -7.326 4.990 477 HB1 ALA 65 1HB ALA 65 -7.755 -6.955 5.427 478 HB2 ALA 65 2HB ALA 65 -8.243 -8.096 4.173 479 HB3 ALA 65 3HB ALA 65 -7.694 -6.479 3.729 480 H GLN 66 H GLN 66 -9.249 -4.130 3.915 481 HA GLN 66 HA GLN 66 -9.397 -3.134 6.664 482 HB2 GLN 66 1HB GLN 66 -8.472 -1.706 4.166 483 HB3 GLN 66 2HB GLN 66 -8.331 -1.116 5.817 484 HG2 GLN 66 1HG GLN 66 -6.699 -2.709 6.364 485 HG3 GLN 66 2HG GLN 66 -7.045 -3.675 4.931 486 HE21 GLN 66 2HE2 GLN 66 -6.569 -2.650 2.838 487 HE22 GLN 66 1HE2 GLN 66 -5.190 -1.616 2.728 488 H MET 67 H MET 67 -11.771 -3.902 5.129 489 HA MET 67 HA MET 67 -13.099 -1.278 4.946 490 HB2 MET 67 1HB MET 67 -13.608 -3.857 3.475 491 HB3 MET 67 2HB MET 67 -14.809 -2.575 3.547 492 HG2 MET 67 1HG MET 67 -12.080 -1.826 2.685 493 HG3 MET 67 2HG MET 67 -13.048 -2.791 1.573 494 HE1 MET 67 3HE MET 67 -16.056 -1.681 2.274 495 HE2 MET 67 1HE MET 67 -16.145 -0.544 0.928 496 HE3 MET 67 2HE MET 67 -15.384 -2.119 0.703 497 H SER 68 H SER 68 -15.366 -1.225 5.614 498 HA SER 68 HA SER 68 -15.936 -3.180 7.746 499 HB2 SER 68 1HB SER 68 -17.186 -1.238 8.847 500 HB3 SER 68 2HB SER 68 -15.424 -1.153 8.865 501 HG SER 68 HG SER 68 -17.003 0.687 8.008 502 H VAL 69 H VAL 69 -18.064 -3.844 8.022 503 HA VAL 69 HA VAL 69 -19.630 -4.206 5.781 504 HB VAL 69 HB VAL 69 -20.548 -4.131 8.658 505 HG11 VAL 69 1HG1 VAL 69 -22.399 -5.568 7.864 506 HG12 VAL 69 2HG1 VAL 69 -22.450 -3.940 7.184 507 HG13 VAL 69 3HG1 VAL 69 -21.868 -5.288 6.206 508 HG21 VAL 69 3HG2 VAL 69 -20.136 -6.671 7.199 509 HG22 VAL 69 1HG2 VAL 69 -18.690 -5.777 7.668 510 HG23 VAL 69 2HG2 VAL 69 -19.854 -6.278 8.894 511 H GLY 70 H GLY 70 -20.946 -2.952 4.629 512 HA2 GLY 70 1HA GLY 70 -22.532 -1.317 4.174 513 HA3 GLY 70 2HA GLY 70 -22.485 -0.843 5.866 514 H GLN 71 H GLN 71 -19.413 -1.053 4.446 515 HA GLN 71 HA GLN 71 -19.329 1.878 4.192 516 HB2 GLN 71 1HB GLN 71 -17.880 0.542 5.920 517 HB3 GLN 71 2HB GLN 71 -16.873 0.198 4.520 518 HG2 GLN 71 1HG GLN 71 -17.214 2.888 4.300 519 HG3 GLN 71 2HG GLN 71 -17.196 2.668 6.049 520 HE21 GLN 71 2HE2 GLN 71 -15.380 2.439 3.109 521 HE22 GLN 71 1HE2 GLN 71 -13.832 2.209 3.838 522 H ARG 72 H ARG 72 -18.540 2.819 2.368 523 HA ARG 72 HA ARG 72 -17.710 1.011 0.194 524 HB2 ARG 72 1HB ARG 72 -19.933 1.871 -0.263 525 HB3 ARG 72 2HB ARG 72 -19.386 3.518 0.018 526 HG2 ARG 72 1HG ARG 72 -17.689 2.526 -1.953 527 HG3 ARG 72 2HG ARG 72 -19.296 1.939 -2.385 528 HD2 ARG 72 1HD ARG 72 -19.969 4.429 -1.819 529 HD3 ARG 72 2HD ARG 72 -18.272 4.726 -2.191 530 HE ARG 72 HE ARG 72 -18.778 4.460 -4.395 531 HH11 ARG 72 1HH1 ARG 72 -21.234 2.878 -2.501 532 HH12 ARG 72 2HH1 ARG 72 -22.211 2.469 -3.871 533 HH21 ARG 72 1HH2 ARG 72 -20.057 3.927 -6.207 534 HH22 ARG 72 2HH2 ARG 72 -21.540 3.065 -5.979 535 H ALA 73 H ALA 73 -15.847 1.472 -0.813 536 HA ALA 73 HA ALA 73 -14.741 4.153 -0.755 537 HB1 ALA 73 1HB ALA 73 -13.979 3.148 1.368 538 HB2 ALA 73 2HB ALA 73 -13.193 1.863 0.449 539 HB3 ALA 73 3HB ALA 73 -12.649 3.531 0.275 540 H LYS 74 H LYS 74 -12.705 4.286 -2.041 541 HA LYS 74 HA LYS 74 -12.946 2.561 -4.384 542 HB2 LYS 74 1HB LYS 74 -11.905 4.242 -5.612 543 HB3 LYS 74 2HB LYS 74 -12.833 5.148 -4.425 544 HG2 LYS 74 1HG LYS 74 -10.669 5.131 -3.035 545 HG3 LYS 74 2HG LYS 74 -9.880 4.683 -4.549 546 HD2 LYS 74 1HD LYS 74 -11.298 6.741 -5.449 547 HD3 LYS 74 2HD LYS 74 -11.181 7.235 -3.759 548 HE2 LYS 74 1HE LYS 74 -9.191 8.091 -4.290 549 HE3 LYS 74 2HE LYS 74 -8.615 6.427 -4.374 550 HZ1 LYS 74 3HZ LYS 74 -8.315 6.624 -6.546 551 HZ2 LYS 74 1HZ LYS 74 -8.678 8.272 -6.423 552 HZ3 LYS 74 2HZ LYS 74 -9.900 7.162 -6.790 553 H LEU 75 H LEU 75 -11.420 1.146 -5.037 554 HA LEU 75 HA LEU 75 -9.031 0.884 -3.337 555 HB2 LEU 75 1HB LEU 75 -10.750 -0.986 -3.419 556 HB3 LEU 75 2HB LEU 75 -10.214 -1.265 -5.074 557 HG LEU 75 HG LEU 75 -7.933 -1.716 -4.209 558 HD11 LEU 75 1HD1 LEU 75 -7.768 -2.215 -1.755 559 HD12 LEU 75 2HD1 LEU 75 -9.310 -1.383 -1.553 560 HD13 LEU 75 3HD1 LEU 75 -7.909 -0.505 -2.167 561 HD21 LEU 75 3HD2 LEU 75 -8.871 -3.818 -2.792 562 HD22 LEU 75 1HD2 LEU 75 -8.862 -3.737 -4.554 563 HD23 LEU 75 2HD2 LEU 75 -10.329 -3.335 -3.661 564 H VAL 76 H VAL 76 -7.576 2.143 -4.429 565 HA VAL 76 HA VAL 76 -7.158 1.634 -7.284 566 HB VAL 76 HB VAL 76 -7.310 3.963 -6.790 567 HG11 VAL 76 1HG1 VAL 76 -5.133 4.593 -5.167 568 HG12 VAL 76 2HG1 VAL 76 -6.841 4.659 -4.729 569 HG13 VAL 76 3HG1 VAL 76 -5.898 3.207 -4.390 570 HG21 VAL 76 3HG2 VAL 76 -5.534 4.616 -8.020 571 HG22 VAL 76 1HG2 VAL 76 -4.371 3.847 -6.941 572 HG23 VAL 76 2HG2 VAL 76 -5.235 2.882 -8.137 573 H CYS 77 H CYS 77 -5.952 -0.179 -7.487 574 HA CYS 77 HA CYS 77 -3.327 -0.177 -6.153 575 HB2 CYS 77 1HB CYS 77 -3.458 -2.659 -6.077 576 HB3 CYS 77 2HB CYS 77 -4.680 -1.874 -5.084 577 HG CYS 77 HG CYS 77 -6.006 -2.341 -8.017 578 H SER 78 H SER 78 -1.693 -1.513 -7.301 579 HA SER 78 HA SER 78 -1.710 -0.848 -10.096 580 HB2 SER 78 1HB SER 78 0.479 -2.564 -9.469 581 HB3 SER 78 2HB SER 78 0.503 -0.824 -9.757 582 HG SER 78 HG SER 78 0.992 -2.054 -7.503 583 HA PRO 79 HA PRO 79 -2.890 -4.648 -11.941 584 HB2 PRO 79 1HB PRO 79 -1.031 -5.034 -13.881 585 HB3 PRO 79 2HB PRO 79 -2.273 -3.780 -13.977 586 HG2 PRO 79 1HG PRO 79 0.596 -3.546 -13.154 587 HG3 PRO 79 2HG PRO 79 -0.361 -2.475 -14.194 588 HD2 PRO 79 1HD PRO 79 0.143 -1.913 -11.593 589 HD3 PRO 79 2HD PRO 79 -1.359 -1.421 -12.403 590 H ASP 80 H ASP 80 0.391 -4.434 -10.763 591 HA ASP 80 HA ASP 80 1.160 -7.118 -11.070 592 HB2 ASP 80 1HB ASP 80 2.027 -4.894 -9.251 593 HB3 ASP 80 2HB ASP 80 2.658 -6.522 -9.014 594 H TYR 81 H TYR 81 -0.870 -5.532 -8.734 595 HA TYR 81 HA TYR 81 -1.006 -7.993 -7.133 596 HB2 TYR 81 1HB TYR 81 -1.453 -5.110 -6.536 597 HB3 TYR 81 2HB TYR 81 -2.415 -6.284 -5.646 598 HD1 TYR 81 HD2 TYR 81 1.092 -6.681 -6.793 599 HD2 TYR 81 HD1 TYR 81 -1.514 -6.085 -3.482 600 HE1 TYR 81 HE2 TYR 81 2.974 -7.048 -5.252 601 HE2 TYR 81 HE1 TYR 81 0.361 -6.450 -1.933 602 HH TYR 81 HH TYR 81 2.886 -7.907 -2.411 603 H ALA 82 H ALA 82 -2.396 -7.127 -9.770 604 HA ALA 82 HA ALA 82 -4.972 -8.273 -9.049 605 HB1 ALA 82 1HB ALA 82 -5.224 -5.798 -8.856 606 HB2 ALA 82 2HB ALA 82 -4.850 -5.679 -10.576 607 HB3 ALA 82 3HB ALA 82 -6.291 -6.547 -10.045 608 H TYR 83 H TYR 83 -6.288 -7.896 -11.445 609 HA TYR 83 HA TYR 83 -4.730 -9.640 -13.185 610 HB2 TYR 83 1HB TYR 83 -6.969 -9.740 -14.447 611 HB3 TYR 83 2HB TYR 83 -6.898 -10.483 -12.854 612 HD1 TYR 83 HD2 TYR 83 -7.600 -7.089 -14.271 613 HD2 TYR 83 HD1 TYR 83 -8.737 -10.130 -11.521 614 HE1 TYR 83 HE2 TYR 83 -9.510 -5.716 -13.551 615 HE2 TYR 83 HE1 TYR 83 -10.651 -8.766 -10.795 616 HH TYR 83 HH TYR 83 -11.405 -6.510 -10.783 617 H GLY 84 H GLY 84 -4.484 -6.581 -12.853 618 HA2 GLY 84 1HA GLY 84 -5.263 -5.424 -15.328 619 HA3 GLY 84 2HA GLY 84 -4.101 -4.753 -14.194 620 H SER 85 H SER 85 -2.542 -7.339 -14.380 621 HA SER 85 HA SER 85 -0.576 -6.544 -16.139 622 HB2 SER 85 1HB SER 85 0.134 -8.989 -16.109 623 HB3 SER 85 2HB SER 85 -0.045 -8.220 -14.532 624 HG SER 85 HG SER 85 -1.723 -9.451 -14.105 625 H ARG 86 H ARG 86 -2.605 -9.399 -16.784 626 HA ARG 86 HA ARG 86 -2.073 -9.369 -19.562 627 HB2 ARG 86 1HB ARG 86 -3.942 -11.039 -19.677 628 HB3 ARG 86 2HB ARG 86 -2.669 -11.443 -18.533 629 HG2 ARG 86 1HG ARG 86 -4.352 -11.827 -17.117 630 HG3 ARG 86 2HG ARG 86 -4.402 -10.071 -16.949 631 HD2 ARG 86 1HD ARG 86 -6.533 -10.222 -17.596 632 HD3 ARG 86 2HD ARG 86 -5.897 -10.521 -19.213 633 HE ARG 86 HE ARG 86 -6.587 -12.694 -19.039 634 HH11 ARG 86 1HH1 ARG 86 -6.537 -11.263 -15.866 635 HH12 ARG 86 2HH1 ARG 86 -7.294 -12.620 -15.100 636 HH21 ARG 86 1HH2 ARG 86 -7.583 -14.487 -18.042 637 HH22 ARG 86 2HH2 ARG 86 -7.887 -14.454 -16.338 638 H GLY 87 H GLY 87 -4.915 -8.376 -17.665 639 HA2 GLY 87 1HA GLY 87 -6.695 -7.028 -18.196 640 HA3 GLY 87 2HA GLY 87 -5.569 -6.186 -19.250 641 H HIS 88 H HIS 88 -7.632 -5.901 -20.482 642 HA HIS 88 HA HIS 88 -7.749 -7.923 -22.561 643 HB2 HIS 88 1HB HIS 88 -9.966 -7.393 -20.650 644 HB3 HIS 88 2HB HIS 88 -10.398 -7.605 -22.344 645 HD1 HIS 88 HD1 HIS 88 -8.417 -9.848 -23.087 646 HD2 HIS 88 HD2 HIS 88 -10.718 -9.804 -19.628 647 HE1 HIS 88 HE1 HIS 88 -8.602 -12.252 -22.372 648 HA PRO 89 HA PRO 89 -8.301 -4.453 -25.188 649 HB2 PRO 89 1HB PRO 89 -9.796 -5.514 -27.190 650 HB3 PRO 89 2HB PRO 89 -8.087 -5.901 -26.959 651 HG2 PRO 89 1HG PRO 89 -10.509 -7.461 -26.146 652 HG3 PRO 89 2HG PRO 89 -9.000 -8.038 -26.880 653 HD2 PRO 89 1HD PRO 89 -9.506 -8.251 -24.228 654 HD3 PRO 89 2HD PRO 89 -7.868 -8.015 -24.872 655 H GLY 90 H GLY 90 -9.529 -2.777 -24.581 656 HA2 GLY 90 1HA GLY 90 -11.421 -1.435 -24.560 657 HA3 GLY 90 2HA GLY 90 -12.356 -2.798 -25.157 658 H VAL 91 H VAL 91 -10.530 -3.691 -22.488 659 HA VAL 91 HA VAL 91 -12.731 -3.084 -20.629 660 HB VAL 91 HB VAL 91 -11.259 -5.719 -20.715 661 HG11 VAL 91 1HG1 VAL 91 -13.778 -5.766 -19.361 662 HG12 VAL 91 2HG1 VAL 91 -12.168 -6.123 -18.730 663 HG13 VAL 91 3HG1 VAL 91 -12.782 -4.469 -18.702 664 HG21 VAL 91 3HG2 VAL 91 -14.061 -5.092 -21.644 665 HG22 VAL 91 1HG2 VAL 91 -12.685 -5.433 -22.694 666 HG23 VAL 91 2HG2 VAL 91 -13.303 -6.684 -21.615 667 H ILE 92 H ILE 92 -9.453 -4.498 -20.685 668 HA ILE 92 HA ILE 92 -8.715 -2.661 -18.513 669 HB ILE 92 HB ILE 92 -8.020 -5.599 -18.615 670 HG12 ILE 92 1HG1 ILE 92 -9.708 -4.030 -16.654 671 HG13 ILE 92 2HG1 ILE 92 -10.325 -5.143 -17.870 672 HG21 ILE 92 1HG2 ILE 92 -6.194 -4.133 -17.786 673 HG22 ILE 92 2HG2 ILE 92 -7.283 -3.558 -16.524 674 HG23 ILE 92 3HG2 ILE 92 -6.806 -5.255 -16.571 675 HD11 ILE 92 3HD1 ILE 92 -10.225 -6.083 -15.581 676 HD12 ILE 92 1HD1 ILE 92 -9.306 -7.003 -16.773 677 HD13 ILE 92 2HD1 ILE 92 -8.469 -5.937 -15.643 678 HA PRO 93 HA PRO 93 -5.313 -1.799 -21.202 679 HB2 PRO 93 1HB PRO 93 -3.800 -0.412 -19.425 680 HB3 PRO 93 2HB PRO 93 -5.245 0.261 -20.188 681 HG2 PRO 93 1HG PRO 93 -4.926 -0.943 -17.466 682 HG3 PRO 93 2HG PRO 93 -5.813 0.515 -17.948 683 HD2 PRO 93 1HD PRO 93 -7.043 -1.853 -17.487 684 HD3 PRO 93 2HD PRO 93 -7.637 -0.686 -18.686 685 HA PRO 94 HA PRO 94 -2.195 -4.806 -20.429 686 HB2 PRO 94 1HB PRO 94 -0.041 -3.645 -21.606 687 HB3 PRO 94 2HB PRO 94 -1.385 -4.332 -22.527 688 HG2 PRO 94 1HG PRO 94 -0.841 -1.476 -21.814 689 HG3 PRO 94 2HG PRO 94 -1.395 -2.159 -23.354 690 HD2 PRO 94 1HD PRO 94 -3.080 -0.977 -21.593 691 HD3 PRO 94 2HD PRO 94 -3.580 -2.322 -22.638 692 H ASN 95 H ASN 95 -1.835 -4.888 -18.237 693 HA ASN 95 HA ASN 95 -0.869 -4.486 -16.209 694 HB2 ASN 95 1HB ASN 95 1.578 -3.521 -17.649 695 HB3 ASN 95 2HB ASN 95 1.460 -4.545 -16.222 696 HD21 ASN 95 2HD2 ASN 95 1.164 -4.428 -19.697 697 HD22 ASN 95 1HD2 ASN 95 1.299 -6.130 -19.961 698 H ALA 96 H ALA 96 -2.464 -2.555 -16.319 699 HA ALA 96 HA ALA 96 -0.914 -0.117 -15.756 700 HB1 ALA 96 1HB ALA 96 -2.101 1.153 -17.163 701 HB2 ALA 96 2HB ALA 96 -2.554 -0.371 -17.928 702 HB3 ALA 96 3HB ALA 96 -3.623 0.370 -16.737 703 H THR 97 H THR 97 -1.604 1.125 -14.037 704 HA THR 97 HA THR 97 -2.817 -0.139 -11.885 705 HB THR 97 HB THR 97 -2.849 2.852 -12.281 706 HG1 THR 97 HG1 THR 97 -0.713 1.085 -11.765 707 HG21 THR 97 3HG2 THR 97 -2.699 2.953 -9.891 708 HG22 THR 97 1HG2 THR 97 -2.464 1.210 -9.779 709 HG23 THR 97 2HG2 THR 97 -4.018 1.858 -10.302 710 H LEU 98 H LEU 98 -4.861 -0.177 -11.032 711 HA LEU 98 HA LEU 98 -7.001 1.150 -12.539 712 HB2 LEU 98 1HB LEU 98 -6.976 -1.740 -11.683 713 HB3 LEU 98 2HB LEU 98 -8.383 -0.893 -12.321 714 HG LEU 98 HG LEU 98 -5.834 -1.240 -13.886 715 HD11 LEU 98 1HD1 LEU 98 -7.367 -3.334 -13.084 716 HD12 LEU 98 2HD1 LEU 98 -6.426 -3.288 -14.574 717 HD13 LEU 98 3HD1 LEU 98 -8.144 -2.893 -14.604 718 HD21 LEU 98 3HD2 LEU 98 -6.848 0.045 -15.381 719 HD22 LEU 98 1HD2 LEU 98 -8.214 0.247 -14.284 720 HD23 LEU 98 2HD2 LEU 98 -8.205 -1.080 -15.446 721 H THR 99 H THR 99 -8.943 1.506 -11.346 722 HA THR 99 HA THR 99 -8.646 1.237 -8.428 723 HB THR 99 HB THR 99 -9.827 3.635 -9.842 724 HG1 THR 99 HG1 THR 99 -7.923 4.602 -9.549 725 HG21 THR 99 3HG2 THR 99 -9.533 4.571 -7.449 726 HG22 THR 99 1HG2 THR 99 -9.473 2.878 -6.961 727 HG23 THR 99 2HG2 THR 99 -10.903 3.511 -7.777 728 H PHE 100 H PHE 100 -10.084 -0.348 -8.010 729 HA PHE 100 HA PHE 100 -12.762 -0.166 -9.195 730 HB2 PHE 100 1HB PHE 100 -11.446 -2.453 -7.714 731 HB3 PHE 100 2HB PHE 100 -13.047 -2.496 -8.444 732 HD1 PHE 100 HD1 PHE 100 -9.437 -2.290 -9.145 733 HD2 PHE 100 HD2 PHE 100 -13.331 -2.854 -10.769 734 HE1 PHE 100 HE1 PHE 100 -8.441 -3.031 -11.269 735 HE2 PHE 100 HE2 PHE 100 -12.341 -3.596 -12.895 736 HZ PHE 100 HZ PHE 100 -9.893 -3.686 -13.148 737 H ASP 101 H ASP 101 -14.410 0.550 -8.026 738 HA ASP 101 HA ASP 101 -14.055 1.240 -5.262 739 HB2 ASP 101 1HB ASP 101 -15.382 2.802 -6.335 740 HB3 ASP 101 2HB ASP 101 -16.228 1.584 -7.286 741 H VAL 102 H VAL 102 -14.315 -0.113 -3.626 742 HA VAL 102 HA VAL 102 -16.173 -2.379 -3.947 743 HB VAL 102 HB VAL 102 -14.763 -3.305 -1.951 744 HG11 VAL 102 1HG1 VAL 102 -13.812 -3.217 -4.808 745 HG12 VAL 102 2HG1 VAL 102 -13.157 -4.308 -3.586 746 HG13 VAL 102 3HG1 VAL 102 -14.853 -4.426 -4.057 747 HG21 VAL 102 3HG2 VAL 102 -12.523 -2.572 -1.797 748 HG22 VAL 102 1HG2 VAL 102 -12.669 -1.578 -3.246 749 HG23 VAL 102 2HG2 VAL 102 -13.507 -1.109 -1.767 750 H GLU 103 H GLU 103 -17.787 -2.648 -2.510 751 HA GLU 103 HA GLU 103 -17.801 -0.950 -0.107 752 HB2 GLU 103 1HB GLU 103 -20.137 -0.435 -0.427 753 HB3 GLU 103 2HB GLU 103 -19.249 0.026 -1.872 754 HG2 GLU 103 1HG GLU 103 -19.953 -2.180 -2.865 755 HG3 GLU 103 2HG GLU 103 -21.036 -2.356 -1.486 756 H LEU 104 H LEU 104 -18.038 -2.101 1.683 757 HA LEU 104 HA LEU 104 -18.542 -4.887 1.649 758 HB2 LEU 104 1HB LEU 104 -17.332 -3.277 3.384 759 HB3 LEU 104 2HB LEU 104 -18.917 -3.337 4.152 760 HG LEU 104 HG LEU 104 -17.613 -4.981 5.221 761 HD11 LEU 104 1HD1 LEU 104 -18.874 -6.908 4.906 762 HD12 LEU 104 2HD1 LEU 104 -19.050 -6.629 3.174 763 HD13 LEU 104 3HD1 LEU 104 -19.935 -5.625 4.322 764 HD21 LEU 104 3HD2 LEU 104 -16.863 -6.751 3.123 765 HD22 LEU 104 1HD2 LEU 104 -15.831 -5.882 4.259 766 HD23 LEU 104 2HD2 LEU 104 -16.282 -5.133 2.727 767 H LEU 105 H LEU 105 -20.373 -6.024 1.867 768 HA LEU 105 HA LEU 105 -22.857 -4.521 2.362 769 HB2 LEU 105 1HB LEU 105 -22.105 -6.523 0.388 770 HB3 LEU 105 2HB LEU 105 -23.594 -6.932 1.238 771 HG LEU 105 HG LEU 105 -24.360 -4.556 0.607 772 HD11 LEU 105 1HD1 LEU 105 -22.234 -3.667 -0.103 773 HD12 LEU 105 2HD1 LEU 105 -23.342 -3.710 -1.475 774 HD13 LEU 105 3HD1 LEU 105 -22.077 -4.929 -1.325 775 HD21 LEU 105 3HD2 LEU 105 -25.028 -5.356 -1.674 776 HD22 LEU 105 1HD2 LEU 105 -25.405 -6.466 -0.356 777 HD23 LEU 105 2HD2 LEU 105 -24.018 -6.776 -1.401 778 H ARG 106 H ARG 106 -21.055 -7.450 3.100 779 HA ARG 106 HA ARG 106 -22.188 -7.660 5.688 780 HB2 ARG 106 1HB ARG 106 -23.224 -9.961 5.269 781 HB3 ARG 106 2HB ARG 106 -24.139 -8.558 4.734 782 HG2 ARG 106 1HG ARG 106 -23.220 -8.921 2.445 783 HG3 ARG 106 2HG ARG 106 -22.506 -10.424 3.033 784 HD2 ARG 106 1HD ARG 106 -24.698 -10.711 1.877 785 HD3 ARG 106 2HD ARG 106 -24.658 -11.336 3.526 786 HE ARG 106 HE ARG 106 -25.625 -8.649 3.398 787 HH11 ARG 106 1HH1 ARG 106 -26.517 -11.990 2.992 788 HH12 ARG 106 2HH1 ARG 106 -28.194 -11.719 3.333 789 HH21 ARG 106 1HH2 ARG 106 -27.830 -8.280 3.849 790 HH22 ARG 106 2HH2 ARG 106 -28.940 -9.608 3.819 791 H VAL 107 H VAL 107 -21.381 -9.580 6.861 792 HA VAL 107 HA VAL 107 -18.956 -10.702 5.620 793 HB VAL 107 HB VAL 107 -19.242 -9.774 8.481 794 HG11 VAL 107 1HG1 VAL 107 -17.129 -11.335 7.053 795 HG12 VAL 107 2HG1 VAL 107 -16.699 -10.281 8.402 796 HG13 VAL 107 3HG1 VAL 107 -17.837 -11.607 8.645 797 HG21 VAL 107 3HG2 VAL 107 -17.258 -8.723 6.502 798 HG22 VAL 107 1HG2 VAL 107 -18.901 -8.082 6.547 799 HG23 VAL 107 2HG2 VAL 107 -17.873 -7.972 7.975 800 H GLU 108 H GLU 108 -18.454 -12.821 6.109 801 HA GLU 108 HA GLU 108 -20.265 -14.275 7.898 802 HB2 GLU 108 1HB GLU 108 -19.687 -14.968 5.018 803 HB3 GLU 108 2HB GLU 108 -20.349 -16.124 6.166 804 HG2 GLU 108 1HG GLU 108 -22.127 -14.219 6.541 805 HG3 GLU 108 2HG GLU 108 -21.615 -13.745 4.922 Start of MODEL 11 1 H1 MET 1 H MET 1 1.716 -2.575 0.753 2 HA MET 1 HA MET 1 1.133 0.110 -0.170 3 HB2 MET 1 1HB MET 1 3.237 0.113 -1.593 4 HB3 MET 1 2HB MET 1 3.459 0.416 0.125 5 HG2 MET 1 1HG MET 1 4.354 -1.715 0.501 6 HG3 MET 1 2HG MET 1 3.775 -2.322 -1.048 7 HE1 MET 1 3HE MET 1 7.599 -2.559 -1.170 8 HE2 MET 1 1HE MET 1 7.346 -1.717 0.359 9 HE3 MET 1 2HE MET 1 6.278 -3.042 -0.105 10 H GLY 2 H GLY 2 1.229 0.171 -2.647 11 HA2 GLY 2 1HA GLY 2 0.972 -0.935 -4.723 12 HA3 GLY 2 2HA GLY 2 0.731 -2.447 -3.860 13 H VAL 3 H VAL 3 -1.172 -0.795 -2.061 14 HA VAL 3 HA VAL 3 -3.421 -0.477 -3.901 15 HB VAL 3 HB VAL 3 -3.621 -2.787 -3.208 16 HG11 VAL 3 1HG1 VAL 3 -2.565 -1.843 -0.775 17 HG12 VAL 3 2HG1 VAL 3 -4.169 -2.487 -0.417 18 HG13 VAL 3 3HG1 VAL 3 -2.966 -3.503 -1.212 19 HG21 VAL 3 3HG2 VAL 3 -5.678 -1.636 -1.448 20 HG22 VAL 3 1HG2 VAL 3 -5.593 -0.940 -3.066 21 HG23 VAL 3 2HG2 VAL 3 -5.845 -2.674 -2.863 22 H GLN 4 H GLN 4 -4.663 1.215 -3.384 23 HA GLN 4 HA GLN 4 -4.409 2.337 -0.672 24 HB2 GLN 4 1HB GLN 4 -4.100 3.583 -3.313 25 HB3 GLN 4 2HB GLN 4 -5.150 4.473 -2.219 26 HG2 GLN 4 1HG GLN 4 -2.920 5.308 -2.010 27 HG3 GLN 4 2HG GLN 4 -3.349 4.450 -0.531 28 HE21 GLN 4 2HE2 GLN 4 -1.630 3.466 0.238 29 HE22 GLN 4 1HE2 GLN 4 -0.469 2.574 -0.679 30 H VAL 5 H VAL 5 -6.251 3.191 0.291 31 HA VAL 5 HA VAL 5 -8.789 2.565 -1.076 32 HB VAL 5 HB VAL 5 -8.470 1.017 0.752 33 HG11 VAL 5 1HG1 VAL 5 -7.250 3.227 2.018 34 HG12 VAL 5 2HG1 VAL 5 -8.622 2.745 3.017 35 HG13 VAL 5 3HG1 VAL 5 -7.375 1.569 2.602 36 HG21 VAL 5 3HG2 VAL 5 -10.725 2.156 0.294 37 HG22 VAL 5 1HG2 VAL 5 -10.534 1.281 1.813 38 HG23 VAL 5 2HG2 VAL 5 -10.428 3.041 1.790 39 H VAL 6 H VAL 6 -10.020 4.273 -1.472 40 HA VAL 6 HA VAL 6 -9.605 6.713 0.122 41 HB VAL 6 HB VAL 6 -10.883 6.531 -2.606 42 HG11 VAL 6 1HG1 VAL 6 -11.473 8.632 -2.189 43 HG12 VAL 6 2HG1 VAL 6 -10.598 8.626 -0.657 44 HG13 VAL 6 3HG1 VAL 6 -9.761 9.054 -2.149 45 HG21 VAL 6 3HG2 VAL 6 -8.697 7.531 -3.385 46 HG22 VAL 6 1HG2 VAL 6 -8.026 7.062 -1.823 47 HG23 VAL 6 2HG2 VAL 6 -8.642 5.829 -2.924 48 H THR 7 H THR 7 -11.045 6.511 1.770 49 HA THR 7 HA THR 7 -13.542 5.352 1.759 50 HB THR 7 HB THR 7 -13.068 7.867 3.330 51 HG1 THR 7 HG1 THR 7 -11.639 6.848 4.608 52 HG21 THR 7 3HG2 THR 7 -14.825 7.151 4.496 53 HG22 THR 7 1HG2 THR 7 -14.041 5.600 4.795 54 HG23 THR 7 2HG2 THR 7 -15.013 5.831 3.342 55 H LEU 8 H LEU 8 -15.510 5.869 1.011 56 HA LEU 8 HA LEU 8 -15.867 8.544 -0.174 57 HB2 LEU 8 1HB LEU 8 -17.016 5.904 -1.066 58 HB3 LEU 8 2HB LEU 8 -17.441 7.471 -1.754 59 HG LEU 8 HG LEU 8 -14.579 6.647 -1.772 60 HD11 LEU 8 1HD1 LEU 8 -16.322 5.768 -4.018 61 HD12 LEU 8 2HD1 LEU 8 -16.203 4.752 -2.582 62 HD13 LEU 8 3HD1 LEU 8 -14.752 5.156 -3.499 63 HD21 LEU 8 3HD2 LEU 8 -15.646 8.875 -2.578 64 HD22 LEU 8 1HD2 LEU 8 -16.127 7.928 -3.986 65 HD23 LEU 8 2HD2 LEU 8 -14.420 8.087 -3.573 66 H ALA 9 H ALA 9 -17.594 5.805 1.296 67 HA ALA 9 HA ALA 9 -19.391 7.729 2.589 68 HB1 ALA 9 1HB ALA 9 -20.475 6.790 0.535 69 HB2 ALA 9 2HB ALA 9 -20.405 5.203 1.302 70 HB3 ALA 9 3HB ALA 9 -21.353 6.495 2.037 71 H ALA 10 H ALA 10 -18.781 7.451 4.656 72 HA ALA 10 HA ALA 10 -17.737 5.196 5.854 73 HB1 ALA 10 1HB ALA 10 -19.419 7.367 7.097 74 HB2 ALA 10 2HB ALA 10 -18.466 6.189 8.000 75 HB3 ALA 10 3HB ALA 10 -17.663 7.346 6.938 76 H GLY 11 H GLY 11 -18.575 3.494 7.063 77 HA2 GLY 11 1HA GLY 11 -21.477 3.034 6.736 78 HA3 GLY 11 2HA GLY 11 -20.289 1.757 6.518 79 H ASP 12 H ASP 12 -20.459 0.368 8.141 80 HA ASP 12 HA ASP 12 -21.474 1.068 10.705 81 HB2 ASP 12 1HB ASP 12 -21.545 -1.220 9.517 82 HB3 ASP 12 2HB ASP 12 -19.905 -1.434 10.124 83 H GLU 13 H GLU 13 -18.240 0.529 9.406 84 HA GLU 13 HA GLU 13 -16.158 0.838 10.283 85 HB2 GLU 13 1HB GLU 13 -17.719 3.023 11.656 86 HB3 GLU 13 2HB GLU 13 -15.976 2.859 11.820 87 HG2 GLU 13 1HG GLU 13 -15.582 3.413 9.610 88 HG3 GLU 13 2HG GLU 13 -17.222 3.004 9.110 89 H ALA 14 H ALA 14 -17.905 -1.087 11.621 90 HA ALA 14 HA ALA 14 -16.479 -1.190 14.183 91 HB1 ALA 14 1HB ALA 14 -18.318 -1.309 15.472 92 HB2 ALA 14 2HB ALA 14 -19.086 -0.474 14.122 93 HB3 ALA 14 3HB ALA 14 -19.229 -2.225 14.271 94 H THR 15 H THR 15 -18.378 -2.912 11.749 95 HA THR 15 HA THR 15 -17.244 -5.458 12.658 96 HB THR 15 HB THR 15 -19.160 -5.433 10.399 97 HG1 THR 15 HG1 THR 15 -19.732 -4.392 12.938 98 HG21 THR 15 3HG2 THR 15 -19.855 -7.463 11.291 99 HG22 THR 15 1HG2 THR 15 -19.344 -7.036 12.924 100 HG23 THR 15 2HG2 THR 15 -18.140 -7.435 11.699 101 H TYR 16 H TYR 16 -15.345 -5.940 11.767 102 HA TYR 16 HA TYR 16 -14.951 -5.348 8.907 103 HB2 TYR 16 1HB TYR 16 -12.891 -5.581 11.109 104 HB3 TYR 16 2HB TYR 16 -12.517 -5.352 9.405 105 HD1 TYR 16 HD1 TYR 16 -14.355 -3.778 12.237 106 HD2 TYR 16 HD2 TYR 16 -12.354 -3.198 8.528 107 HE1 TYR 16 HE1 TYR 16 -14.519 -1.343 12.537 108 HE2 TYR 16 HE2 TYR 16 -12.511 -0.761 8.818 109 HH TYR 16 HH TYR 16 -13.291 0.898 10.070 110 HA PRO 17 HA PRO 17 -14.529 -9.633 8.052 111 HB2 PRO 17 1HB PRO 17 -12.709 -9.586 6.039 112 HB3 PRO 17 2HB PRO 17 -14.381 -9.051 5.835 113 HG2 PRO 17 1HG PRO 17 -11.913 -7.420 6.292 114 HG3 PRO 17 2HG PRO 17 -13.256 -7.127 5.172 115 HD2 PRO 17 1HD PRO 17 -13.036 -5.849 7.549 116 HD3 PRO 17 2HD PRO 17 -14.605 -6.249 6.822 117 H LYS 18 H LYS 18 -13.157 -11.439 8.283 118 HA LYS 18 HA LYS 18 -10.620 -10.859 9.666 119 HB2 LYS 18 1HB LYS 18 -12.655 -12.060 10.836 120 HB3 LYS 18 2HB LYS 18 -12.045 -13.470 9.980 121 HG2 LYS 18 1HG LYS 18 -9.772 -12.823 11.036 122 HG3 LYS 18 2HG LYS 18 -10.756 -11.874 12.152 123 HD2 LYS 18 1HD LYS 18 -11.288 -14.785 11.609 124 HD3 LYS 18 2HD LYS 18 -10.170 -14.246 12.864 125 HE2 LYS 18 1HE LYS 18 -13.044 -13.359 12.682 126 HE3 LYS 18 2HE LYS 18 -12.502 -14.728 13.652 127 HZ1 LYS 18 3HZ LYS 18 -12.470 -11.998 14.311 128 HZ2 LYS 18 1HZ LYS 18 -10.873 -12.556 14.276 129 HZ3 LYS 18 2HZ LYS 18 -12.014 -13.317 15.266 130 H ALA 19 H ALA 19 -8.795 -12.066 9.169 131 HA ALA 19 HA ALA 19 -8.452 -12.851 6.513 132 HB1 ALA 19 1HB ALA 19 -6.271 -13.329 7.063 133 HB2 ALA 19 2HB ALA 19 -6.722 -12.235 8.372 134 HB3 ALA 19 3HB ALA 19 -6.698 -13.977 8.647 135 H GLY 20 H GLY 20 -8.929 -14.653 5.433 136 HA2 GLY 20 1HA GLY 20 -9.151 -16.953 5.068 137 HA3 GLY 20 2HA GLY 20 -9.018 -17.218 6.800 138 H GLN 21 H GLN 21 -11.200 -14.797 6.443 139 HA GLN 21 HA GLN 21 -13.437 -16.684 6.644 140 HB2 GLN 21 1HB GLN 21 -12.709 -14.391 8.129 141 HB3 GLN 21 2HB GLN 21 -14.183 -13.983 7.261 142 HG2 GLN 21 1HG GLN 21 -14.920 -16.361 8.184 143 HG3 GLN 21 2HG GLN 21 -13.732 -15.953 9.421 144 HE21 GLN 21 2HE2 GLN 21 -14.078 -13.222 9.567 145 HE22 GLN 21 1HE2 GLN 21 -15.650 -12.879 10.196 146 H VAL 22 H VAL 22 -15.517 -16.022 5.695 147 HA VAL 22 HA VAL 22 -15.112 -15.083 2.982 148 HB VAL 22 HB VAL 22 -17.703 -15.970 4.249 149 HG11 VAL 22 1HG1 VAL 22 -17.960 -14.762 2.156 150 HG12 VAL 22 2HG1 VAL 22 -16.795 -15.833 1.375 151 HG13 VAL 22 3HG1 VAL 22 -18.344 -16.469 1.933 152 HG21 VAL 22 3HG2 VAL 22 -17.071 -18.141 2.944 153 HG22 VAL 22 1HG2 VAL 22 -15.422 -17.546 3.139 154 HG23 VAL 22 2HG2 VAL 22 -16.420 -17.862 4.559 155 H ALA 23 H ALA 23 -15.993 -13.265 2.072 156 HA ALA 23 HA ALA 23 -17.622 -11.501 3.740 157 HB1 ALA 23 1HB ALA 23 -14.860 -10.938 2.821 158 HB2 ALA 23 2HB ALA 23 -16.028 -9.617 2.755 159 HB3 ALA 23 3HB ALA 23 -15.696 -10.425 4.287 160 H VAL 24 H VAL 24 -19.046 -10.248 2.609 161 HA VAL 24 HA VAL 24 -19.022 -10.572 -0.321 162 HB VAL 24 HB VAL 24 -21.472 -9.990 1.332 163 HG11 VAL 24 1HG1 VAL 24 -20.885 -10.538 -1.511 164 HG12 VAL 24 2HG1 VAL 24 -22.337 -11.291 -0.847 165 HG13 VAL 24 3HG1 VAL 24 -22.143 -9.539 -0.782 166 HG21 VAL 24 3HG2 VAL 24 -21.710 -12.607 0.547 167 HG22 VAL 24 1HG2 VAL 24 -20.014 -12.498 1.018 168 HG23 VAL 24 2HG2 VAL 24 -21.278 -12.058 2.167 169 H VAL 25 H VAL 25 -18.742 -8.791 -1.481 170 HA VAL 25 HA VAL 25 -19.726 -6.228 -0.483 171 HB VAL 25 HB VAL 25 -17.706 -5.059 -0.684 172 HG11 VAL 25 1HG1 VAL 25 -16.319 -6.021 0.940 173 HG12 VAL 25 2HG1 VAL 25 -17.916 -6.692 1.276 174 HG13 VAL 25 3HG1 VAL 25 -16.710 -7.663 0.430 175 HG21 VAL 25 3HG2 VAL 25 -16.871 -7.375 -2.344 176 HG22 VAL 25 1HG2 VAL 25 -16.651 -5.647 -2.617 177 HG23 VAL 25 2HG2 VAL 25 -15.618 -6.497 -1.468 178 H HIS 26 H HIS 26 -19.464 -4.495 -2.202 179 HA HIS 26 HA HIS 26 -20.062 -5.690 -4.821 180 HB2 HIS 26 1HB HIS 26 -21.080 -3.309 -3.364 181 HB3 HIS 26 2HB HIS 26 -20.941 -3.172 -5.114 182 HD1 HIS 26 HD1 HIS 26 -21.963 -5.725 -6.178 183 HD2 HIS 26 HD2 HIS 26 -23.641 -3.941 -2.822 184 HE1 HIS 26 HE1 HIS 26 -24.289 -6.665 -6.009 185 H TYR 27 H TYR 27 -18.680 -5.405 -6.439 186 HA TYR 27 HA TYR 27 -16.589 -3.357 -6.142 187 HB2 TYR 27 1HB TYR 27 -15.192 -4.720 -7.560 188 HB3 TYR 27 2HB TYR 27 -15.843 -5.735 -6.278 189 HD1 TYR 27 HD2 TYR 27 -16.112 -4.901 -9.865 190 HD2 TYR 27 HD1 TYR 27 -17.247 -7.593 -6.772 191 HE1 TYR 27 HE2 TYR 27 -16.973 -6.468 -11.554 192 HE2 TYR 27 HE1 TYR 27 -18.110 -9.169 -8.452 193 HH TYR 27 HH TYR 27 -17.823 -9.688 -10.808 194 H THR 28 H THR 28 -16.242 -1.860 -7.708 195 HA THR 28 HA THR 28 -17.876 -2.009 -10.148 196 HB THR 28 HB THR 28 -17.487 0.557 -8.607 197 HG1 THR 28 HG1 THR 28 -18.965 -0.242 -7.317 198 HG21 THR 28 3HG2 THR 28 -19.799 0.566 -10.224 199 HG22 THR 28 1HG2 THR 28 -18.494 -0.095 -11.208 200 HG23 THR 28 2HG2 THR 28 -18.314 1.489 -10.453 201 H GLY 29 H GLY 29 -16.748 -1.655 -11.952 202 HA2 GLY 29 1HA GLY 29 -13.958 -1.198 -11.891 203 HA3 GLY 29 2HA GLY 29 -14.969 -1.190 -13.328 204 H THR 30 H THR 30 -12.718 0.566 -12.376 205 HA THR 30 HA THR 30 -13.772 3.023 -13.337 206 HB THR 30 HB THR 30 -12.753 3.829 -10.798 207 HG1 THR 30 HG1 THR 30 -13.591 1.634 -10.259 208 HG21 THR 30 3HG2 THR 30 -15.284 4.094 -12.350 209 HG22 THR 30 1HG2 THR 30 -14.169 5.341 -11.793 210 HG23 THR 30 2HG2 THR 30 -15.279 4.578 -10.654 211 H LEU 31 H LEU 31 -12.170 4.297 -14.114 212 HA LEU 31 HA LEU 31 -9.428 3.350 -13.712 213 HB2 LEU 31 1HB LEU 31 -10.784 4.968 -15.836 214 HB3 LEU 31 2HB LEU 31 -9.029 4.990 -15.672 215 HG LEU 31 HG LEU 31 -10.725 2.559 -16.239 216 HD11 LEU 31 1HD1 LEU 31 -10.284 4.420 -18.028 217 HD12 LEU 31 2HD1 LEU 31 -10.122 2.715 -18.445 218 HD13 LEU 31 3HD1 LEU 31 -8.686 3.678 -18.100 219 HD21 LEU 31 3HD2 LEU 31 -8.427 1.567 -16.713 220 HD22 LEU 31 1HD2 LEU 31 -8.871 1.792 -15.021 221 HD23 LEU 31 2HD2 LEU 31 -7.776 2.932 -15.804 222 H ALA 32 H ALA 32 -7.694 4.940 -13.514 223 HA ALA 32 HA ALA 32 -8.093 6.722 -11.402 224 HB1 ALA 32 1HB ALA 32 -5.881 6.301 -13.364 225 HB2 ALA 32 2HB ALA 32 -5.824 7.672 -12.255 226 HB3 ALA 32 3HB ALA 32 -5.904 6.028 -11.622 227 H ASP 33 H ASP 33 -8.594 7.115 -14.785 228 HA ASP 33 HA ASP 33 -8.481 9.998 -14.750 229 HB2 ASP 33 1HB ASP 33 -9.618 8.184 -16.885 230 HB3 ASP 33 2HB ASP 33 -9.158 9.874 -17.070 231 H GLY 34 H GLY 34 -10.769 7.629 -13.926 232 HA2 GLY 34 1HA GLY 34 -12.741 8.392 -12.719 233 HA3 GLY 34 2HA GLY 34 -12.880 9.693 -13.892 234 H LYS 35 H LYS 35 -12.096 7.476 -15.936 235 HA LYS 35 HA LYS 35 -14.593 7.064 -17.040 236 HB2 LYS 35 1HB LYS 35 -11.909 6.105 -17.494 237 HB3 LYS 35 2HB LYS 35 -13.070 4.809 -17.751 238 HG2 LYS 35 1HG LYS 35 -13.116 7.512 -19.077 239 HG3 LYS 35 2HG LYS 35 -12.601 5.995 -19.818 240 HD2 LYS 35 1HD LYS 35 -14.895 5.097 -19.364 241 HD3 LYS 35 2HD LYS 35 -15.365 6.720 -18.852 242 HE2 LYS 35 1HE LYS 35 -14.580 7.523 -21.114 243 HE3 LYS 35 2HE LYS 35 -14.455 5.827 -21.580 244 HZ1 LYS 35 3HZ LYS 35 -16.699 7.410 -21.704 245 HZ2 LYS 35 1HZ LYS 35 -16.976 6.379 -20.392 246 HZ3 LYS 35 2HZ LYS 35 -16.631 5.733 -21.916 247 H VAL 36 H VAL 36 -16.295 5.931 -16.407 248 HA VAL 36 HA VAL 36 -16.077 4.018 -14.256 249 HB VAL 36 HB VAL 36 -17.983 5.657 -14.505 250 HG11 VAL 36 1HG1 VAL 36 -18.885 3.702 -16.618 251 HG12 VAL 36 2HG1 VAL 36 -19.811 5.069 -15.996 252 HG13 VAL 36 3HG1 VAL 36 -18.332 5.350 -16.916 253 HG21 VAL 36 3HG2 VAL 36 -17.906 3.118 -13.437 254 HG22 VAL 36 1HG2 VAL 36 -19.151 4.331 -13.139 255 HG23 VAL 36 2HG2 VAL 36 -19.390 3.111 -14.390 256 H PHE 37 H PHE 37 -16.454 1.831 -14.347 257 HA PHE 37 HA PHE 37 -16.672 0.659 -17.042 258 HB2 PHE 37 1HB PHE 37 -14.772 0.104 -14.834 259 HB3 PHE 37 2HB PHE 37 -15.391 -1.296 -15.703 260 HD1 PHE 37 HD1 PHE 37 -13.686 1.962 -16.182 261 HD2 PHE 37 HD2 PHE 37 -14.501 -1.903 -17.769 262 HE1 PHE 37 HE1 PHE 37 -12.044 2.354 -17.971 263 HE2 PHE 37 HE2 PHE 37 -12.859 -1.517 -19.560 264 HZ PHE 37 HZ PHE 37 -11.627 0.613 -19.663 265 H ASP 38 H ASP 38 -17.059 -1.918 -16.560 266 HA ASP 38 HA ASP 38 -19.739 -2.130 -15.845 267 HB2 ASP 38 1HB ASP 38 -18.235 -3.765 -17.175 268 HB3 ASP 38 2HB ASP 38 -17.842 -4.450 -15.600 269 H SER 39 H SER 39 -20.825 -2.689 -14.009 270 HA SER 39 HA SER 39 -19.217 -2.972 -11.555 271 HB2 SER 39 1HB SER 39 -20.411 -0.736 -11.854 272 HB3 SER 39 2HB SER 39 -21.920 -1.630 -11.665 273 HG SER 39 HG SER 39 -20.603 -2.446 -9.668 274 H SER 40 H SER 40 -19.906 -4.438 -10.031 275 HA SER 40 HA SER 40 -21.616 -6.541 -11.001 276 HB2 SER 40 1HB SER 40 -20.407 -7.802 -9.597 277 HB3 SER 40 2HB SER 40 -19.498 -6.355 -9.159 278 HG SER 40 HG SER 40 -20.344 -7.185 -7.289 279 H ARG 41 H ARG 41 -21.966 -3.767 -9.007 280 HA ARG 41 HA ARG 41 -24.281 -4.712 -7.578 281 HB2 ARG 41 1HB ARG 41 -24.446 -2.348 -6.808 282 HB3 ARG 41 2HB ARG 41 -22.878 -3.081 -6.498 283 HG2 ARG 41 1HG ARG 41 -21.797 -1.729 -7.971 284 HG3 ARG 41 2HG ARG 41 -23.206 -1.559 -9.020 285 HD2 ARG 41 1HD ARG 41 -22.925 -0.292 -6.298 286 HD3 ARG 41 2HD ARG 41 -22.596 0.528 -7.823 287 HE ARG 41 HE ARG 41 -25.188 -0.544 -7.906 288 HH11 ARG 41 1HH1 ARG 41 -23.373 1.954 -6.296 289 HH12 ARG 41 2HH1 ARG 41 -24.747 2.985 -6.067 290 HH21 ARG 41 1HH2 ARG 41 -27.003 0.804 -7.609 291 HH22 ARG 41 2HH2 ARG 41 -26.811 2.329 -6.813 292 H THR 42 H THR 42 -23.650 -3.210 -10.606 293 HA THR 42 HA THR 42 -25.933 -1.764 -11.133 294 HB THR 42 HB THR 42 -23.916 -2.103 -12.654 295 HG1 THR 42 HG1 THR 42 -25.141 -1.171 -14.112 296 HG21 THR 42 3HG2 THR 42 -23.806 -3.905 -14.116 297 HG22 THR 42 1HG2 THR 42 -25.503 -4.325 -13.886 298 HG23 THR 42 2HG2 THR 42 -24.330 -4.669 -12.615 299 H ARG 43 H ARG 43 -25.546 -5.217 -10.909 300 HA ARG 43 HA ARG 43 -28.330 -5.597 -11.784 301 HB2 ARG 43 1HB ARG 43 -26.027 -7.544 -11.611 302 HB3 ARG 43 2HB ARG 43 -27.682 -8.018 -11.970 303 HG2 ARG 43 1HG ARG 43 -27.596 -6.458 -13.935 304 HG3 ARG 43 2HG ARG 43 -25.869 -6.280 -13.620 305 HD2 ARG 43 1HD ARG 43 -26.268 -7.963 -15.332 306 HD3 ARG 43 2HD ARG 43 -25.573 -8.693 -13.885 307 HE ARG 43 HE ARG 43 -28.365 -8.865 -13.727 308 HH11 ARG 43 1HH1 ARG 43 -25.714 -10.158 -15.576 309 HH12 ARG 43 2HH1 ARG 43 -26.517 -11.653 -15.927 310 HH21 ARG 43 1HH2 ARG 43 -29.433 -10.828 -14.183 311 HH22 ARG 43 2HH2 ARG 43 -28.633 -12.032 -15.135 312 H GLY 44 H GLY 44 -26.303 -5.550 -9.066 313 HA2 GLY 44 1HA GLY 44 -27.082 -5.637 -6.846 314 HA3 GLY 44 2HA GLY 44 -28.498 -6.518 -7.401 315 H LYS 45 H LYS 45 -25.438 -7.585 -8.549 316 HA LYS 45 HA LYS 45 -25.616 -9.916 -6.762 317 HB2 LYS 45 1HB LYS 45 -24.187 -11.022 -8.557 318 HB3 LYS 45 2HB LYS 45 -25.852 -10.658 -8.991 319 HG2 LYS 45 1HG LYS 45 -25.255 -8.998 -10.455 320 HG3 LYS 45 2HG LYS 45 -23.727 -8.673 -9.632 321 HD2 LYS 45 1HD LYS 45 -23.050 -9.739 -11.582 322 HD3 LYS 45 2HD LYS 45 -23.076 -11.054 -10.405 323 HE2 LYS 45 1HE LYS 45 -25.155 -11.859 -11.230 324 HE3 LYS 45 2HE LYS 45 -25.397 -10.415 -12.213 325 HZ1 LYS 45 3HZ LYS 45 -24.577 -12.536 -13.352 326 HZ2 LYS 45 1HZ LYS 45 -23.074 -12.178 -12.663 327 HZ3 LYS 45 2HZ LYS 45 -23.797 -11.084 -13.731 328 HA PRO 46 HA PRO 46 -21.855 -7.833 -5.223 329 HB2 PRO 46 1HB PRO 46 -22.052 -8.881 -2.726 330 HB3 PRO 46 2HB PRO 46 -22.938 -7.439 -3.235 331 HG2 PRO 46 1HG PRO 46 -23.884 -10.272 -3.038 332 HG3 PRO 46 2HG PRO 46 -24.708 -8.780 -2.547 333 HD2 PRO 46 1HD PRO 46 -25.274 -10.063 -4.863 334 HD3 PRO 46 2HD PRO 46 -25.387 -8.299 -4.697 335 H PHE 47 H PHE 47 -19.807 -8.643 -4.889 336 HA PHE 47 HA PHE 47 -19.444 -11.454 -5.537 337 HB2 PHE 47 1HB PHE 47 -18.125 -9.354 -6.463 338 HB3 PHE 47 2HB PHE 47 -17.146 -9.616 -5.023 339 HD1 PHE 47 HD1 PHE 47 -18.531 -11.453 -7.951 340 HD2 PHE 47 HD2 PHE 47 -15.378 -11.091 -5.116 341 HE1 PHE 47 HE1 PHE 47 -17.271 -13.205 -9.134 342 HE2 PHE 47 HE2 PHE 47 -14.112 -12.840 -6.294 343 HZ PHE 47 HZ PHE 47 -15.058 -13.899 -8.307 344 H ARG 48 H ARG 48 -19.082 -12.971 -4.067 345 HA ARG 48 HA ARG 48 -18.103 -12.145 -1.412 346 HB2 ARG 48 1HB ARG 48 -19.343 -14.097 -0.508 347 HB3 ARG 48 2HB ARG 48 -20.392 -12.893 -1.244 348 HG2 ARG 48 1HG ARG 48 -21.150 -14.325 -2.774 349 HG3 ARG 48 2HG ARG 48 -19.539 -14.967 -3.104 350 HD2 ARG 48 1HD ARG 48 -19.824 -16.114 -0.783 351 HD3 ARG 48 2HD ARG 48 -21.541 -15.821 -1.055 352 HE ARG 48 HE ARG 48 -19.934 -17.810 -2.299 353 HH11 ARG 48 1HH1 ARG 48 -22.618 -15.662 -2.845 354 HH12 ARG 48 2HH1 ARG 48 -23.342 -16.663 -4.059 355 HH21 ARG 48 1HH2 ARG 48 -20.876 -19.138 -3.897 356 HH22 ARG 48 2HH2 ARG 48 -22.350 -18.641 -4.656 357 H PHE 49 H PHE 49 -16.388 -13.197 -0.561 358 HA PHE 49 HA PHE 49 -15.526 -15.768 -1.471 359 HB2 PHE 49 1HB PHE 49 -13.388 -15.086 -2.433 360 HB3 PHE 49 2HB PHE 49 -14.720 -14.372 -3.338 361 HD1 PHE 49 HD2 PHE 49 -11.974 -13.708 -1.000 362 HD2 PHE 49 HD1 PHE 49 -15.076 -12.005 -3.366 363 HE1 PHE 49 HE2 PHE 49 -10.985 -11.477 -0.686 364 HE2 PHE 49 HE1 PHE 49 -14.091 -9.772 -3.056 365 HZ PHE 49 HZ PHE 49 -12.043 -9.506 -1.714 366 H THR 50 H THR 50 -13.213 -16.201 -0.544 367 HA THR 50 HA THR 50 -13.290 -15.313 2.241 368 HB THR 50 HB THR 50 -11.735 -17.563 0.951 369 HG1 THR 50 HG1 THR 50 -13.392 -18.782 1.502 370 HG21 THR 50 3HG2 THR 50 -11.269 -18.261 3.280 371 HG22 THR 50 1HG2 THR 50 -11.998 -16.762 3.852 372 HG23 THR 50 2HG2 THR 50 -10.530 -16.712 2.875 373 H VAL 51 H VAL 51 -12.080 -13.616 2.753 374 HA VAL 51 HA VAL 51 -10.023 -12.549 1.176 375 HB VAL 51 HB VAL 51 -9.431 -11.201 3.185 376 HG11 VAL 51 1HG1 VAL 51 -12.389 -11.349 2.613 377 HG12 VAL 51 2HG1 VAL 51 -11.515 -9.964 3.270 378 HG13 VAL 51 3HG1 VAL 51 -11.200 -10.505 1.621 379 HG21 VAL 51 3HG2 VAL 51 -11.319 -13.130 4.465 380 HG22 VAL 51 1HG2 VAL 51 -9.773 -12.514 5.050 381 HG23 VAL 51 2HG2 VAL 51 -11.203 -11.482 5.082 382 H GLY 52 H GLY 52 -8.196 -13.602 0.709 383 HA2 GLY 52 1HA GLY 52 -5.951 -13.987 1.741 384 HA3 GLY 52 2HA GLY 52 -6.798 -14.975 2.922 385 H ARG 53 H ARG 53 -8.543 -15.797 0.471 386 HA ARG 53 HA ARG 53 -7.016 -18.179 -0.086 387 HB2 ARG 53 1HB ARG 53 -9.771 -17.231 -0.838 388 HB3 ARG 53 2HB ARG 53 -9.076 -18.681 -1.550 389 HG2 ARG 53 1HG ARG 53 -9.442 -18.227 1.404 390 HG3 ARG 53 2HG ARG 53 -10.546 -19.141 0.375 391 HD2 ARG 53 1HD ARG 53 -7.656 -19.780 0.947 392 HD3 ARG 53 2HD ARG 53 -9.067 -20.661 1.531 393 HE ARG 53 HE ARG 53 -9.181 -20.637 -1.250 394 HH11 ARG 53 1HH1 ARG 53 -7.151 -21.913 1.273 395 HH12 ARG 53 2HH1 ARG 53 -6.635 -23.282 0.345 396 HH21 ARG 53 1HH2 ARG 53 -8.509 -22.435 -2.483 397 HH22 ARG 53 2HH2 ARG 53 -7.407 -23.577 -1.792 398 H GLY 54 H GLY 54 -7.108 -18.982 -2.469 399 HA2 GLY 54 1HA GLY 54 -5.796 -16.907 -4.061 400 HA3 GLY 54 2HA GLY 54 -5.728 -18.638 -4.356 401 H GLU 55 H GLU 55 -8.780 -17.112 -3.723 402 HA GLU 55 HA GLU 55 -9.615 -17.747 -6.451 403 HB2 GLU 55 1HB GLU 55 -11.255 -16.982 -4.029 404 HB3 GLU 55 2HB GLU 55 -11.906 -17.457 -5.591 405 HG2 GLU 55 1HG GLU 55 -10.138 -19.239 -3.942 406 HG3 GLU 55 2HG GLU 55 -11.896 -19.230 -3.812 407 H VAL 56 H VAL 56 -8.689 -15.087 -4.575 408 HA VAL 56 HA VAL 56 -9.804 -13.249 -6.589 409 HB VAL 56 HB VAL 56 -9.943 -11.514 -4.794 410 HG11 VAL 56 1HG1 VAL 56 -12.107 -12.040 -4.344 411 HG12 VAL 56 2HG1 VAL 56 -11.800 -13.250 -5.592 412 HG13 VAL 56 3HG1 VAL 56 -11.725 -13.700 -3.888 413 HG21 VAL 56 3HG2 VAL 56 -10.168 -13.370 -2.595 414 HG22 VAL 56 1HG2 VAL 56 -8.551 -13.410 -3.299 415 HG23 VAL 56 2HG2 VAL 56 -9.223 -11.886 -2.720 416 H ILE 57 H ILE 57 -8.624 -10.958 -6.086 417 HA ILE 57 HA ILE 57 -5.774 -11.558 -6.417 418 HB ILE 57 HB ILE 57 -5.626 -9.221 -7.295 419 HG12 ILE 57 1HG1 ILE 57 -8.586 -9.177 -7.621 420 HG13 ILE 57 2HG1 ILE 57 -7.934 -8.730 -6.048 421 HG21 ILE 57 1HG2 ILE 57 -5.693 -10.532 -9.115 422 HG22 ILE 57 2HG2 ILE 57 -7.062 -11.466 -8.514 423 HG23 ILE 57 3HG2 ILE 57 -7.333 -9.909 -9.297 424 HD11 ILE 57 3HD1 ILE 57 -8.051 -6.696 -7.083 425 HD12 ILE 57 1HD1 ILE 57 -6.395 -7.168 -7.464 426 HD13 ILE 57 2HD1 ILE 57 -7.667 -7.358 -8.672 427 H ARG 58 H ARG 58 -4.181 -10.161 -5.432 428 HA ARG 58 HA ARG 58 -4.421 -9.887 -2.699 429 HB2 ARG 58 1HB ARG 58 -2.640 -8.274 -4.535 430 HB3 ARG 58 2HB ARG 58 -2.415 -8.471 -2.802 431 HG2 ARG 58 1HG ARG 58 -2.434 -11.036 -3.472 432 HG3 ARG 58 2HG ARG 58 -1.894 -10.369 -5.014 433 HD2 ARG 58 1HD ARG 58 -0.013 -9.320 -3.980 434 HD3 ARG 58 2HD ARG 58 -0.612 -9.713 -2.369 435 HE ARG 58 HE ARG 58 0.813 -11.455 -4.169 436 HH11 ARG 58 1HH1 ARG 58 -1.319 -11.265 -1.423 437 HH12 ARG 58 2HH1 ARG 58 -0.889 -12.830 -0.817 438 HH21 ARG 58 1HH2 ARG 58 1.387 -13.517 -3.380 439 HH22 ARG 58 2HH2 ARG 58 0.651 -14.109 -1.930 440 H GLY 59 H GLY 59 -4.988 -7.456 -5.213 441 HA2 GLY 59 1HA GLY 59 -5.326 -5.188 -3.691 442 HA3 GLY 59 2HA GLY 59 -6.229 -5.521 -5.162 443 H TRP 60 H TRP 60 -7.961 -7.399 -4.642 444 HA TRP 60 HA TRP 60 -9.933 -6.166 -3.079 445 HB2 TRP 60 1HB TRP 60 -9.659 -8.907 -4.279 446 HB3 TRP 60 2HB TRP 60 -11.035 -8.513 -3.252 447 HD1 TRP 60 HD1 TRP 60 -10.455 -5.397 -4.903 448 HE1 TRP 60 HE1 TRP 60 -11.882 -5.131 -7.028 449 HE3 TRP 60 HE3 TRP 60 -11.845 -10.272 -5.562 450 HZ2 TRP 60 HZ2 TRP 60 -13.398 -6.771 -8.755 451 HZ3 TRP 60 HZ3 TRP 60 -13.285 -10.840 -7.475 452 HH2 TRP 60 HH2 TRP 60 -14.045 -9.124 -9.037 453 H ASP 61 H ASP 61 -7.808 -8.918 -2.379 454 HA ASP 61 HA ASP 61 -8.804 -9.758 0.034 455 HB2 ASP 61 1HB ASP 61 -6.828 -10.699 -1.261 456 HB3 ASP 61 2HB ASP 61 -5.847 -9.457 -0.487 457 H GLU 62 H GLU 62 -6.111 -7.432 -0.261 458 HA GLU 62 HA GLU 62 -6.257 -6.613 2.442 459 HB2 GLU 62 1HB GLU 62 -5.027 -5.201 0.069 460 HB3 GLU 62 2HB GLU 62 -4.743 -4.789 1.754 461 HG2 GLU 62 1HG GLU 62 -2.987 -6.139 1.637 462 HG3 GLU 62 2HG GLU 62 -4.145 -7.467 1.669 463 H GLY 63 H GLY 63 -7.400 -5.100 -0.568 464 HA2 GLY 63 1HA GLY 63 -8.379 -2.720 0.371 465 HA3 GLY 63 2HA GLY 63 -9.141 -3.636 -0.921 466 H VAL 64 H VAL 64 -10.349 -5.684 0.097 467 HA VAL 64 HA VAL 64 -12.523 -4.601 1.561 468 HB VAL 64 HB VAL 64 -12.639 -6.530 -0.072 469 HG11 VAL 64 1HG1 VAL 64 -10.683 -7.673 1.282 470 HG12 VAL 64 2HG1 VAL 64 -12.030 -8.367 2.186 471 HG13 VAL 64 3HG1 VAL 64 -11.905 -8.631 0.446 472 HG21 VAL 64 3HG2 VAL 64 -14.402 -5.825 1.653 473 HG22 VAL 64 1HG2 VAL 64 -14.544 -7.432 0.940 474 HG23 VAL 64 2HG2 VAL 64 -13.884 -7.244 2.564 475 H ALA 65 H ALA 65 -9.672 -6.422 2.453 476 HA ALA 65 HA ALA 65 -10.415 -7.319 4.984 477 HB1 ALA 65 1HB ALA 65 -7.799 -6.640 3.717 478 HB2 ALA 65 2HB ALA 65 -7.864 -7.021 5.439 479 HB3 ALA 65 3HB ALA 65 -8.418 -8.203 4.252 480 H GLN 66 H GLN 66 -9.267 -4.167 3.925 481 HA GLN 66 HA GLN 66 -9.358 -3.175 6.678 482 HB2 GLN 66 1HB GLN 66 -8.254 -1.173 5.800 483 HB3 GLN 66 2HB GLN 66 -7.358 -2.627 5.381 484 HG2 GLN 66 1HG GLN 66 -8.541 -2.543 3.145 485 HG3 GLN 66 2HG GLN 66 -9.070 -0.924 3.600 486 HE21 GLN 66 2HE2 GLN 66 -6.901 -2.462 1.805 487 HE22 GLN 66 1HE2 GLN 66 -5.577 -1.355 1.872 488 H MET 67 H MET 67 -11.761 -3.855 5.112 489 HA MET 67 HA MET 67 -13.007 -1.188 4.987 490 HB2 MET 67 1HB MET 67 -13.608 -3.720 3.468 491 HB3 MET 67 2HB MET 67 -14.750 -2.385 3.553 492 HG2 MET 67 1HG MET 67 -11.984 -1.749 2.718 493 HG3 MET 67 2HG MET 67 -12.988 -2.652 1.586 494 HE1 MET 67 3HE MET 67 -15.971 -0.254 0.953 495 HE2 MET 67 1HE MET 67 -15.274 -1.852 0.690 496 HE3 MET 67 2HE MET 67 -15.943 -1.432 2.266 497 H SER 68 H SER 68 -15.284 -1.091 5.640 498 HA SER 68 HA SER 68 -15.894 -3.048 7.759 499 HB2 SER 68 1HB SER 68 -17.165 -1.075 8.815 500 HB3 SER 68 2HB SER 68 -15.404 -1.040 8.899 501 HG SER 68 HG SER 68 -16.869 0.853 8.003 502 H VAL 69 H VAL 69 -18.045 -3.667 8.044 503 HA VAL 69 HA VAL 69 -19.587 -4.041 5.779 504 HB VAL 69 HB VAL 69 -20.525 -3.958 8.650 505 HG11 VAL 69 1HG1 VAL 69 -21.838 -5.082 6.180 506 HG12 VAL 69 2HG1 VAL 69 -22.373 -5.400 7.831 507 HG13 VAL 69 3HG1 VAL 69 -22.423 -3.759 7.187 508 HG21 VAL 69 3HG2 VAL 69 -18.660 -5.574 7.941 509 HG22 VAL 69 1HG2 VAL 69 -20.059 -6.243 8.781 510 HG23 VAL 69 2HG2 VAL 69 -19.919 -6.411 7.031 511 H GLY 70 H GLY 70 -20.876 -2.775 4.610 512 HA2 GLY 70 1HA GLY 70 -22.462 -1.138 4.150 513 HA3 GLY 70 2HA GLY 70 -22.411 -0.653 5.838 514 H GLN 71 H GLN 71 -19.332 -0.889 4.463 515 HA GLN 71 HA GLN 71 -19.211 2.038 4.224 516 HB2 GLN 71 1HB GLN 71 -17.733 0.669 5.873 517 HB3 GLN 71 2HB GLN 71 -16.798 0.267 4.439 518 HG2 GLN 71 1HG GLN 71 -17.063 2.987 4.238 519 HG3 GLN 71 2HG GLN 71 -16.905 2.735 5.976 520 HE21 GLN 71 2HE2 GLN 71 -15.347 2.577 2.904 521 HE22 GLN 71 1HE2 GLN 71 -13.756 2.236 3.487 522 H ARG 72 H ARG 72 -18.468 3.014 2.398 523 HA ARG 72 HA ARG 72 -17.739 1.253 0.151 524 HB2 ARG 72 1HB ARG 72 -19.999 2.175 -0.137 525 HB3 ARG 72 2HB ARG 72 -19.358 3.803 0.038 526 HG2 ARG 72 1HG ARG 72 -17.837 3.055 -1.978 527 HG3 ARG 72 2HG ARG 72 -19.160 1.918 -2.247 528 HD2 ARG 72 1HD ARG 72 -19.546 4.887 -1.916 529 HD3 ARG 72 2HD ARG 72 -19.355 4.095 -3.480 530 HE ARG 72 HE ARG 72 -21.410 2.798 -2.116 531 HH11 ARG 72 1HH1 ARG 72 -20.734 5.927 -3.485 532 HH12 ARG 72 2HH1 ARG 72 -22.395 6.278 -3.833 533 HH21 ARG 72 1HH2 ARG 72 -23.599 3.249 -2.569 534 HH22 ARG 72 2HH2 ARG 72 -24.024 4.755 -3.310 535 H ALA 73 H ALA 73 -15.973 1.792 -1.015 536 HA ALA 73 HA ALA 73 -14.855 4.441 -0.975 537 HB1 ALA 73 1HB ALA 73 -13.262 2.225 0.306 538 HB2 ALA 73 2HB ALA 73 -12.752 3.898 0.071 539 HB3 ALA 73 3HB ALA 73 -14.069 3.526 1.183 540 H LYS 74 H LYS 74 -12.723 4.477 -2.199 541 HA LYS 74 HA LYS 74 -13.010 2.745 -4.531 542 HB2 LYS 74 1HB LYS 74 -11.725 5.384 -3.998 543 HB3 LYS 74 2HB LYS 74 -11.093 4.405 -5.315 544 HG2 LYS 74 1HG LYS 74 -12.876 4.782 -6.624 545 HG3 LYS 74 2HG LYS 74 -14.015 4.692 -5.278 546 HD2 LYS 74 1HD LYS 74 -13.040 6.969 -4.578 547 HD3 LYS 74 2HD LYS 74 -12.386 7.032 -6.217 548 HE2 LYS 74 1HE LYS 74 -15.297 6.594 -5.569 549 HE3 LYS 74 2HE LYS 74 -14.593 8.168 -5.936 550 HZ1 LYS 74 3HZ LYS 74 -15.675 6.632 -7.781 551 HZ2 LYS 74 1HZ LYS 74 -14.098 6.022 -7.846 552 HZ3 LYS 74 2HZ LYS 74 -14.380 7.667 -8.116 553 H LEU 75 H LEU 75 -11.595 1.196 -5.083 554 HA LEU 75 HA LEU 75 -9.254 0.826 -3.344 555 HB2 LEU 75 1HB LEU 75 -11.062 -0.951 -3.507 556 HB3 LEU 75 2HB LEU 75 -10.488 -1.238 -5.148 557 HG LEU 75 HG LEU 75 -8.317 -1.919 -4.295 558 HD11 LEU 75 1HD1 LEU 75 -8.147 -0.507 -2.351 559 HD12 LEU 75 2HD1 LEU 75 -7.984 -2.194 -1.862 560 HD13 LEU 75 3HD1 LEU 75 -9.501 -1.339 -1.584 561 HD21 LEU 75 3HD2 LEU 75 -10.244 -3.433 -2.598 562 HD22 LEU 75 1HD2 LEU 75 -8.950 -4.024 -3.641 563 HD23 LEU 75 2HD2 LEU 75 -10.455 -3.438 -4.350 564 H VAL 76 H VAL 76 -7.725 2.054 -4.386 565 HA VAL 76 HA VAL 76 -7.216 1.525 -7.222 566 HB VAL 76 HB VAL 76 -7.303 3.859 -6.722 567 HG11 VAL 76 1HG1 VAL 76 -5.131 4.370 -5.029 568 HG12 VAL 76 2HG1 VAL 76 -6.846 4.565 -4.665 569 HG13 VAL 76 3HG1 VAL 76 -6.028 3.051 -4.277 570 HG21 VAL 76 3HG2 VAL 76 -5.476 4.441 -7.908 571 HG22 VAL 76 1HG2 VAL 76 -4.369 3.644 -6.791 572 HG23 VAL 76 2HG2 VAL 76 -5.226 2.698 -8.007 573 H CYS 77 H CYS 77 -6.036 -0.292 -7.432 574 HA CYS 77 HA CYS 77 -3.496 -0.420 -5.948 575 HB2 CYS 77 1HB CYS 77 -3.731 -2.932 -6.070 576 HB3 CYS 77 2HB CYS 77 -4.864 -2.124 -4.993 577 HG CYS 77 HG CYS 77 -5.516 -3.503 -8.047 578 H SER 78 H SER 78 -1.831 -1.754 -7.045 579 HA SER 78 HA SER 78 -1.703 -1.022 -9.831 580 HB2 SER 78 1HB SER 78 0.174 -1.703 -7.752 581 HB3 SER 78 2HB SER 78 0.500 -2.663 -9.195 582 HG SER 78 HG SER 78 1.442 -0.920 -9.884 583 HA PRO 79 HA PRO 79 -2.703 -4.829 -11.767 584 HB2 PRO 79 1HB PRO 79 -0.724 -5.178 -13.592 585 HB3 PRO 79 2HB PRO 79 -1.976 -3.941 -13.757 586 HG2 PRO 79 1HG PRO 79 0.834 -3.671 -12.760 587 HG3 PRO 79 2HG PRO 79 -0.073 -2.607 -13.851 588 HD2 PRO 79 1HD PRO 79 0.263 -2.054 -11.222 589 HD3 PRO 79 2HD PRO 79 -1.194 -1.578 -12.119 590 H ASP 80 H ASP 80 0.506 -4.577 -10.406 591 HA ASP 80 HA ASP 80 1.321 -7.252 -10.672 592 HB2 ASP 80 1HB ASP 80 2.797 -5.340 -10.019 593 HB3 ASP 80 2HB ASP 80 2.039 -5.356 -8.429 594 H TYR 81 H TYR 81 -0.877 -5.703 -8.477 595 HA TYR 81 HA TYR 81 -1.074 -8.173 -6.891 596 HB2 TYR 81 1HB TYR 81 -1.558 -5.295 -6.281 597 HB3 TYR 81 2HB TYR 81 -2.536 -6.492 -5.439 598 HD1 TYR 81 HD2 TYR 81 1.004 -6.879 -6.467 599 HD2 TYR 81 HD1 TYR 81 -1.703 -6.263 -3.243 600 HE1 TYR 81 HE2 TYR 81 2.836 -7.244 -4.867 601 HE2 TYR 81 HE1 TYR 81 0.121 -6.625 -1.634 602 HH TYR 81 HH TYR 81 3.428 -7.329 -2.733 603 H ALA 82 H ALA 82 -2.328 -7.299 -9.582 604 HA ALA 82 HA ALA 82 -4.930 -8.455 -9.010 605 HB1 ALA 82 1HB ALA 82 -6.241 -6.711 -9.910 606 HB2 ALA 82 2HB ALA 82 -5.139 -5.945 -8.766 607 HB3 ALA 82 3HB ALA 82 -4.822 -5.844 -10.498 608 H TYR 83 H TYR 83 -6.152 -8.019 -11.436 609 HA TYR 83 HA TYR 83 -4.493 -9.666 -13.179 610 HB2 TYR 83 1HB TYR 83 -6.677 -9.791 -14.519 611 HB3 TYR 83 2HB TYR 83 -6.653 -10.569 -12.941 612 HD1 TYR 83 HD2 TYR 83 -7.383 -7.164 -14.318 613 HD2 TYR 83 HD1 TYR 83 -8.549 -10.285 -11.671 614 HE1 TYR 83 HE2 TYR 83 -9.352 -5.852 -13.647 615 HE2 TYR 83 HE1 TYR 83 -10.522 -8.983 -10.995 616 HH TYR 83 HH TYR 83 -11.949 -7.142 -12.013 617 H GLY 84 H GLY 84 -4.340 -6.615 -12.731 618 HA2 GLY 84 1HA GLY 84 -5.059 -5.406 -15.206 619 HA3 GLY 84 2HA GLY 84 -3.985 -4.724 -13.993 620 H SER 85 H SER 85 -2.316 -7.245 -14.177 621 HA SER 85 HA SER 85 -0.276 -6.329 -15.768 622 HB2 SER 85 1HB SER 85 0.092 -8.127 -14.196 623 HB3 SER 85 2HB SER 85 -0.995 -9.190 -15.090 624 HG SER 85 HG SER 85 0.599 -9.681 -16.357 625 H ARG 86 H ARG 86 -2.211 -9.163 -16.724 626 HA ARG 86 HA ARG 86 -1.510 -8.920 -19.461 627 HB2 ARG 86 1HB ARG 86 -2.122 -11.069 -18.456 628 HB3 ARG 86 2HB ARG 86 -3.753 -10.479 -18.165 629 HG2 ARG 86 1HG ARG 86 -3.465 -10.063 -20.849 630 HG3 ARG 86 2HG ARG 86 -2.548 -11.549 -20.595 631 HD2 ARG 86 1HD ARG 86 -4.678 -12.198 -19.173 632 HD3 ARG 86 2HD ARG 86 -5.451 -11.011 -20.224 633 HE ARG 86 HE ARG 86 -4.005 -12.710 -21.865 634 HH11 ARG 86 1HH1 ARG 86 -6.669 -12.931 -19.635 635 HH12 ARG 86 2HH1 ARG 86 -7.418 -14.259 -20.458 636 HH21 ARG 86 1HH2 ARG 86 -4.981 -14.459 -22.958 637 HH22 ARG 86 2HH2 ARG 86 -6.457 -15.128 -22.348 638 H GLY 87 H GLY 87 -4.672 -8.490 -17.849 639 HA2 GLY 87 1HA GLY 87 -6.427 -7.091 -18.336 640 HA3 GLY 87 2HA GLY 87 -5.283 -6.094 -19.221 641 H HIS 88 H HIS 88 -7.262 -5.818 -20.585 642 HA HIS 88 HA HIS 88 -7.086 -7.636 -22.838 643 HB2 HIS 88 1HB HIS 88 -9.451 -7.474 -21.050 644 HB3 HIS 88 2HB HIS 88 -9.770 -7.508 -22.782 645 HD1 HIS 88 HD1 HIS 88 -7.681 -9.522 -23.713 646 HD2 HIS 88 HD2 HIS 88 -9.997 -10.024 -20.301 647 HE1 HIS 88 HE1 HIS 88 -7.711 -11.999 -23.279 648 HA PRO 89 HA PRO 89 -7.738 -3.985 -25.180 649 HB2 PRO 89 1HB PRO 89 -9.049 -4.942 -27.356 650 HB3 PRO 89 2HB PRO 89 -7.333 -5.245 -27.058 651 HG2 PRO 89 1HG PRO 89 -9.688 -7.018 -26.535 652 HG3 PRO 89 2HG PRO 89 -8.107 -7.431 -27.225 653 HD2 PRO 89 1HD PRO 89 -8.741 -7.922 -24.639 654 HD3 PRO 89 2HD PRO 89 -7.090 -7.528 -25.159 655 H GLY 90 H GLY 90 -9.104 -2.447 -24.508 656 HA2 GLY 90 1HA GLY 90 -11.088 -1.232 -24.524 657 HA3 GLY 90 2HA GLY 90 -11.903 -2.623 -25.223 658 H VAL 91 H VAL 91 -10.142 -3.608 -22.571 659 HA VAL 91 HA VAL 91 -12.424 -3.216 -20.750 660 HB VAL 91 HB VAL 91 -10.798 -5.753 -20.954 661 HG11 VAL 91 1HG1 VAL 91 -11.684 -6.290 -18.993 662 HG12 VAL 91 2HG1 VAL 91 -12.469 -4.712 -18.915 663 HG13 VAL 91 3HG1 VAL 91 -13.305 -6.079 -19.654 664 HG21 VAL 91 3HG2 VAL 91 -12.049 -5.970 -22.846 665 HG22 VAL 91 1HG2 VAL 91 -13.226 -6.555 -21.669 666 HG23 VAL 91 2HG2 VAL 91 -13.321 -4.897 -22.262 667 H ILE 92 H ILE 92 -9.077 -4.459 -20.752 668 HA ILE 92 HA ILE 92 -8.502 -2.687 -18.480 669 HB ILE 92 HB ILE 92 -7.692 -5.592 -18.653 670 HG12 ILE 92 1HG1 ILE 92 -9.529 -4.153 -16.725 671 HG13 ILE 92 2HG1 ILE 92 -10.039 -5.263 -17.992 672 HG21 ILE 92 1HG2 ILE 92 -6.586 -5.276 -16.542 673 HG22 ILE 92 2HG2 ILE 92 -5.957 -4.102 -17.697 674 HG23 ILE 92 3HG2 ILE 92 -7.117 -3.597 -16.469 675 HD11 ILE 92 3HD1 ILE 92 -8.952 -7.096 -16.891 676 HD12 ILE 92 1HD1 ILE 92 -8.266 -6.012 -15.682 677 HD13 ILE 92 2HD1 ILE 92 -10.009 -6.274 -15.745 678 HA PRO 93 HA PRO 93 -5.029 -1.606 -20.993 679 HB2 PRO 93 1HB PRO 93 -3.647 -0.223 -19.110 680 HB3 PRO 93 2HB PRO 93 -5.085 0.420 -19.912 681 HG2 PRO 93 1HG PRO 93 -4.833 -0.861 -17.219 682 HG3 PRO 93 2HG PRO 93 -5.756 0.577 -17.691 683 HD2 PRO 93 1HD PRO 93 -6.910 -1.850 -17.360 684 HD3 PRO 93 2HD PRO 93 -7.498 -0.667 -18.545 685 HA PRO 94 HA PRO 94 -1.832 -4.520 -20.182 686 HB2 PRO 94 1HB PRO 94 0.320 -3.243 -21.235 687 HB3 PRO 94 2HB PRO 94 -0.958 -3.951 -22.230 688 HG2 PRO 94 1HG PRO 94 -0.554 -1.100 -21.411 689 HG3 PRO 94 2HG PRO 94 -1.020 -1.755 -22.992 690 HD2 PRO 94 1HD PRO 94 -2.817 -0.692 -21.268 691 HD3 PRO 94 2HD PRO 94 -3.224 -2.022 -22.372 692 H ASN 95 H ASN 95 -1.563 -4.651 -17.978 693 HA ASN 95 HA ASN 95 -0.700 -4.270 -15.900 694 HB2 ASN 95 1HB ASN 95 1.773 -3.203 -17.222 695 HB3 ASN 95 2HB ASN 95 1.631 -4.250 -15.813 696 HD21 ASN 95 2HD2 ASN 95 1.445 -4.097 -19.297 697 HD22 ASN 95 1HD2 ASN 95 1.652 -5.789 -19.576 698 H ALA 96 H ALA 96 -2.348 -2.382 -16.042 699 HA ALA 96 HA ALA 96 -0.896 0.085 -15.352 700 HB1 ALA 96 1HB ALA 96 -2.403 -0.145 -17.603 701 HB2 ALA 96 2HB ALA 96 -3.584 0.482 -16.452 702 HB3 ALA 96 3HB ALA 96 -2.089 1.368 -16.753 703 H THR 97 H THR 97 -1.635 1.207 -13.593 704 HA THR 97 HA THR 97 -2.947 -0.146 -11.558 705 HB THR 97 HB THR 97 -3.035 2.854 -11.754 706 HG1 THR 97 HG1 THR 97 -0.830 2.478 -10.645 707 HG21 THR 97 3HG2 THR 97 -4.060 1.572 -9.822 708 HG22 THR 97 1HG2 THR 97 -2.867 2.796 -9.389 709 HG23 THR 97 2HG2 THR 97 -2.420 1.090 -9.391 710 H LEU 98 H LEU 98 -5.027 -0.144 -10.751 711 HA LEU 98 HA LEU 98 -7.092 1.211 -12.337 712 HB2 LEU 98 1HB LEU 98 -7.283 -1.645 -11.400 713 HB3 LEU 98 2HB LEU 98 -8.484 -0.758 -12.335 714 HG LEU 98 HG LEU 98 -5.740 -1.548 -13.311 715 HD11 LEU 98 1HD1 LEU 98 -6.634 -3.381 -14.293 716 HD12 LEU 98 2HD1 LEU 98 -8.217 -2.634 -14.506 717 HD13 LEU 98 3HD1 LEU 98 -7.746 -3.266 -12.929 718 HD21 LEU 98 3HD2 LEU 98 -7.508 0.455 -14.209 719 HD22 LEU 98 1HD2 LEU 98 -7.612 -0.876 -15.361 720 HD23 LEU 98 2HD2 LEU 98 -6.049 -0.144 -15.000 721 H THR 99 H THR 99 -9.053 1.629 -11.220 722 HA THR 99 HA THR 99 -8.853 1.384 -8.289 723 HB THR 99 HB THR 99 -10.131 3.709 -9.731 724 HG1 THR 99 HG1 THR 99 -8.243 4.724 -9.642 725 HG21 THR 99 3HG2 THR 99 -11.038 3.466 -7.548 726 HG22 THR 99 1HG2 THR 99 -9.843 4.759 -7.448 727 HG23 THR 99 2HG2 THR 99 -9.451 3.147 -6.850 728 H PHE 100 H PHE 100 -10.261 -0.231 -7.877 729 HA PHE 100 HA PHE 100 -12.916 -0.129 -9.125 730 HB2 PHE 100 1HB PHE 100 -11.363 -2.337 -7.790 731 HB3 PHE 100 2HB PHE 100 -13.095 -2.474 -8.078 732 HD1 PHE 100 HD1 PHE 100 -9.920 -1.708 -9.867 733 HD2 PHE 100 HD2 PHE 100 -13.836 -3.363 -10.070 734 HE1 PHE 100 HE1 PHE 100 -9.470 -2.483 -12.159 735 HE2 PHE 100 HE2 PHE 100 -13.392 -4.141 -12.361 736 HZ PHE 100 HZ PHE 100 -11.207 -3.702 -13.409 737 H ASP 101 H ASP 101 -14.549 0.669 -7.997 738 HA ASP 101 HA ASP 101 -14.298 1.421 -5.270 739 HB2 ASP 101 1HB ASP 101 -16.478 1.497 -7.309 740 HB3 ASP 101 2HB ASP 101 -16.908 1.709 -5.614 741 H VAL 102 H VAL 102 -14.476 0.159 -3.552 742 HA VAL 102 HA VAL 102 -16.052 -2.318 -3.773 743 HB VAL 102 HB VAL 102 -13.818 -1.665 -1.846 744 HG11 VAL 102 1HG1 VAL 102 -14.640 -3.306 -0.593 745 HG12 VAL 102 2HG1 VAL 102 -15.882 -3.669 -1.793 746 HG13 VAL 102 3HG1 VAL 102 -14.291 -4.419 -1.915 747 HG21 VAL 102 3HG2 VAL 102 -13.856 -3.585 -4.173 748 HG22 VAL 102 1HG2 VAL 102 -13.077 -2.003 -4.176 749 HG23 VAL 102 2HG2 VAL 102 -12.500 -3.268 -3.092 750 H GLU 103 H GLU 103 -17.747 -2.657 -2.457 751 HA GLU 103 HA GLU 103 -18.142 -0.828 -0.188 752 HB2 GLU 103 1HB GLU 103 -19.535 -0.048 -2.040 753 HB3 GLU 103 2HB GLU 103 -20.239 -1.650 -2.204 754 HG2 GLU 103 1HG GLU 103 -21.182 -1.446 0.056 755 HG3 GLU 103 2HG GLU 103 -20.521 0.184 0.165 756 H LEU 104 H LEU 104 -18.121 -2.027 1.589 757 HA LEU 104 HA LEU 104 -18.546 -4.817 1.639 758 HB2 LEU 104 1HB LEU 104 -17.346 -3.140 3.303 759 HB3 LEU 104 2HB LEU 104 -18.914 -3.201 4.107 760 HG LEU 104 HG LEU 104 -17.546 -4.783 5.198 761 HD11 LEU 104 1HD1 LEU 104 -19.002 -6.554 3.280 762 HD12 LEU 104 2HD1 LEU 104 -19.894 -5.480 4.356 763 HD13 LEU 104 3HD1 LEU 104 -18.818 -6.705 5.028 764 HD21 LEU 104 3HD2 LEU 104 -16.847 -6.622 3.141 765 HD22 LEU 104 1HD2 LEU 104 -15.788 -5.706 4.213 766 HD23 LEU 104 2HD2 LEU 104 -16.293 -5.014 2.671 767 H LEU 105 H LEU 105 -20.329 -6.014 1.920 768 HA LEU 105 HA LEU 105 -22.855 -4.594 2.444 769 HB2 LEU 105 1HB LEU 105 -22.105 -6.777 0.600 770 HB3 LEU 105 2HB LEU 105 -23.679 -6.918 1.379 771 HG LEU 105 HG LEU 105 -23.923 -5.906 -0.799 772 HD11 LEU 105 1HD1 LEU 105 -25.348 -4.220 -0.184 773 HD12 LEU 105 2HD1 LEU 105 -24.248 -3.584 1.038 774 HD13 LEU 105 3HD1 LEU 105 -25.156 -5.063 1.353 775 HD21 LEU 105 3HD2 LEU 105 -22.914 -3.527 -1.023 776 HD22 LEU 105 1HD2 LEU 105 -21.899 -4.932 -1.349 777 HD23 LEU 105 2HD2 LEU 105 -21.767 -4.087 0.194 778 H ARG 106 H ARG 106 -20.912 -7.418 3.215 779 HA ARG 106 HA ARG 106 -21.894 -7.620 5.837 780 HB2 ARG 106 1HB ARG 106 -23.099 -9.798 5.629 781 HB3 ARG 106 2HB ARG 106 -23.943 -8.442 4.893 782 HG2 ARG 106 1HG ARG 106 -22.879 -9.191 2.699 783 HG3 ARG 106 2HG ARG 106 -22.487 -10.689 3.547 784 HD2 ARG 106 1HD ARG 106 -24.815 -11.099 4.001 785 HD3 ARG 106 2HD ARG 106 -25.261 -9.531 3.330 786 HE ARG 106 HE ARG 106 -23.955 -10.860 1.307 787 HH11 ARG 106 1HH1 ARG 106 -26.777 -11.402 3.273 788 HH12 ARG 106 2HH1 ARG 106 -27.615 -12.302 2.052 789 HH21 ARG 106 1HH2 ARG 106 -25.049 -12.043 -0.308 790 HH22 ARG 106 2HH2 ARG 106 -26.631 -12.667 0.016 791 H VAL 107 H VAL 107 -21.166 -9.712 6.895 792 HA VAL 107 HA VAL 107 -18.828 -10.846 5.515 793 HB VAL 107 HB VAL 107 -18.134 -9.096 7.165 794 HG11 VAL 107 1HG1 VAL 107 -18.704 -9.136 9.347 795 HG12 VAL 107 2HG1 VAL 107 -20.073 -10.082 8.760 796 HG13 VAL 107 3HG1 VAL 107 -18.662 -10.896 9.436 797 HG21 VAL 107 3HG2 VAL 107 -16.905 -11.286 8.493 798 HG22 VAL 107 1HG2 VAL 107 -17.146 -11.730 6.804 799 HG23 VAL 107 2HG2 VAL 107 -16.249 -10.268 7.212 800 H GLU 108 H GLU 108 -18.378 -12.988 5.937 801 HA GLU 108 HA GLU 108 -20.120 -14.399 7.828 802 HB2 GLU 108 1HB GLU 108 -19.839 -14.920 4.889 803 HB3 GLU 108 2HB GLU 108 -20.191 -16.249 5.985 804 HG2 GLU 108 1HG GLU 108 -22.099 -14.692 6.823 805 HG3 GLU 108 2HG GLU 108 -21.868 -13.891 5.269 Start of MODEL 12 1 H1 MET 1 H MET 1 1.467 -1.332 1.197 2 HA MET 1 HA MET 1 1.401 1.076 -0.501 3 HB2 MET 1 1HB MET 1 3.621 0.793 0.348 4 HB3 MET 1 2HB MET 1 3.616 -0.922 -0.042 5 HG2 MET 1 1HG MET 1 3.562 -0.382 -2.422 6 HG3 MET 1 2HG MET 1 3.567 1.336 -2.031 7 HE1 MET 1 3HE MET 1 7.061 2.228 -1.165 8 HE2 MET 1 1HE MET 1 5.944 2.563 -2.488 9 HE3 MET 1 2HE MET 1 5.358 2.541 -0.825 10 H GLY 2 H GLY 2 1.239 0.811 -2.743 11 HA2 GLY 2 1HA GLY 2 1.002 -0.422 -4.738 12 HA3 GLY 2 2HA GLY 2 0.860 -1.892 -3.785 13 H VAL 3 H VAL 3 -1.130 -0.272 -2.062 14 HA VAL 3 HA VAL 3 -3.403 -0.151 -3.889 15 HB VAL 3 HB VAL 3 -3.466 -2.456 -3.165 16 HG11 VAL 3 1HG1 VAL 3 -3.980 -2.080 -0.353 17 HG12 VAL 3 2HG1 VAL 3 -2.816 -3.140 -1.150 18 HG13 VAL 3 3HG1 VAL 3 -2.385 -1.467 -0.789 19 HG21 VAL 3 3HG2 VAL 3 -5.545 -1.165 -1.453 20 HG22 VAL 3 1HG2 VAL 3 -5.561 -0.903 -3.197 21 HG23 VAL 3 2HG2 VAL 3 -5.688 -2.538 -2.549 22 H GLN 4 H GLN 4 -4.629 1.555 -3.436 23 HA GLN 4 HA GLN 4 -4.445 2.725 -0.738 24 HB2 GLN 4 1HB GLN 4 -4.222 3.895 -3.397 25 HB3 GLN 4 2HB GLN 4 -5.418 4.717 -2.405 26 HG2 GLN 4 1HG GLN 4 -3.030 5.590 -2.346 27 HG3 GLN 4 2HG GLN 4 -3.845 5.334 -0.803 28 HE21 GLN 4 2HE2 GLN 4 -1.906 3.460 -3.116 29 HE22 GLN 4 1HE2 GLN 4 -0.897 2.717 -1.927 30 H VAL 5 H VAL 5 -6.313 3.455 0.267 31 HA VAL 5 HA VAL 5 -8.836 2.588 -0.989 32 HB VAL 5 HB VAL 5 -8.340 1.168 0.903 33 HG11 VAL 5 1HG1 VAL 5 -8.290 3.629 2.637 34 HG12 VAL 5 2HG1 VAL 5 -7.934 1.966 3.109 35 HG13 VAL 5 3HG1 VAL 5 -6.838 2.832 2.032 36 HG21 VAL 5 3HG2 VAL 5 -10.429 3.105 1.856 37 HG22 VAL 5 1HG2 VAL 5 -10.689 2.049 0.468 38 HG23 VAL 5 2HG2 VAL 5 -10.379 1.354 2.060 39 H VAL 6 H VAL 6 -10.222 4.165 -1.416 40 HA VAL 6 HA VAL 6 -9.937 6.719 0.019 41 HB VAL 6 HB VAL 6 -11.296 6.248 -2.636 42 HG11 VAL 6 1HG1 VAL 6 -11.060 8.529 -0.835 43 HG12 VAL 6 2HG1 VAL 6 -10.552 8.886 -2.487 44 HG13 VAL 6 3HG1 VAL 6 -12.170 8.254 -2.177 45 HG21 VAL 6 3HG2 VAL 6 -8.472 6.838 -1.929 46 HG22 VAL 6 1HG2 VAL 6 -9.132 5.891 -3.263 47 HG23 VAL 6 2HG2 VAL 6 -9.158 7.653 -3.333 48 H THR 7 H THR 7 -11.273 6.499 1.752 49 HA THR 7 HA THR 7 -13.708 5.164 1.858 50 HB THR 7 HB THR 7 -13.152 7.660 3.453 51 HG1 THR 7 HG1 THR 7 -11.651 6.613 4.554 52 HG21 THR 7 3HG2 THR 7 -14.206 5.421 4.905 53 HG22 THR 7 1HG2 THR 7 -15.203 5.731 3.485 54 HG23 THR 7 2HG2 THR 7 -14.914 7.017 4.656 55 H LEU 8 H LEU 8 -15.542 5.516 0.808 56 HA LEU 8 HA LEU 8 -16.099 8.193 -0.244 57 HB2 LEU 8 1HB LEU 8 -17.426 5.561 -0.875 58 HB3 LEU 8 2HB LEU 8 -17.728 7.098 -1.683 59 HG LEU 8 HG LEU 8 -14.945 6.079 -1.725 60 HD11 LEU 8 1HD1 LEU 8 -16.985 4.948 -3.615 61 HD12 LEU 8 2HD1 LEU 8 -16.491 4.105 -2.147 62 HD13 LEU 8 3HD1 LEU 8 -15.301 4.471 -3.396 63 HD21 LEU 8 3HD2 LEU 8 -14.839 7.756 -3.175 64 HD22 LEU 8 1HD2 LEU 8 -16.586 7.985 -3.104 65 HD23 LEU 8 2HD2 LEU 8 -15.894 6.842 -4.254 66 H ALA 9 H ALA 9 -17.763 5.537 1.447 67 HA ALA 9 HA ALA 9 -19.351 7.529 2.887 68 HB1 ALA 9 1HB ALA 9 -20.605 6.663 0.851 69 HB2 ALA 9 2HB ALA 9 -20.682 5.115 1.693 70 HB3 ALA 9 3HB ALA 9 -21.430 6.544 2.406 71 H ALA 10 H ALA 10 -18.914 7.155 4.955 72 HA ALA 10 HA ALA 10 -17.792 4.864 6.038 73 HB1 ALA 10 1HB ALA 10 -17.572 6.544 7.527 74 HB2 ALA 10 2HB ALA 10 -19.133 7.257 7.118 75 HB3 ALA 10 3HB ALA 10 -19.056 5.861 8.193 76 H GLY 11 H GLY 11 -18.667 3.229 7.433 77 HA2 GLY 11 1HA GLY 11 -21.535 2.687 6.993 78 HA3 GLY 11 2HA GLY 11 -20.328 1.432 6.756 79 H ASP 12 H ASP 12 -20.193 0.053 8.380 80 HA ASP 12 HA ASP 12 -21.282 0.723 10.971 81 HB2 ASP 12 1HB ASP 12 -20.136 -1.791 9.771 82 HB3 ASP 12 2HB ASP 12 -20.531 -1.683 11.484 83 H GLU 13 H GLU 13 -18.111 -0.038 9.599 84 HA GLU 13 HA GLU 13 -15.994 0.228 10.392 85 HB2 GLU 13 1HB GLU 13 -17.525 2.449 11.648 86 HB3 GLU 13 2HB GLU 13 -15.910 2.128 12.265 87 HG2 GLU 13 1HG GLU 13 -15.497 3.701 10.647 88 HG3 GLU 13 2HG GLU 13 -15.217 2.199 9.769 89 H ALA 14 H ALA 14 -17.925 -1.604 11.774 90 HA ALA 14 HA ALA 14 -16.365 -1.937 14.247 91 HB1 ALA 14 1HB ALA 14 -18.167 -1.767 15.528 92 HB2 ALA 14 2HB ALA 14 -19.105 -1.318 14.103 93 HB3 ALA 14 3HB ALA 14 -18.994 -3.010 14.588 94 H THR 15 H THR 15 -18.323 -3.451 11.733 95 HA THR 15 HA THR 15 -17.279 -6.084 12.497 96 HB THR 15 HB THR 15 -19.303 -5.689 10.322 97 HG1 THR 15 HG1 THR 15 -20.026 -4.509 12.198 98 HG21 THR 15 3HG2 THR 15 -19.936 -7.887 10.807 99 HG22 THR 15 1HG2 THR 15 -19.207 -7.843 12.412 100 HG23 THR 15 2HG2 THR 15 -18.181 -7.915 10.979 101 H TYR 16 H TYR 16 -15.371 -6.502 11.577 102 HA TYR 16 HA TYR 16 -14.997 -5.782 8.746 103 HB2 TYR 16 1HB TYR 16 -12.950 -6.200 10.931 104 HB3 TYR 16 2HB TYR 16 -12.551 -5.945 9.236 105 HD1 TYR 16 HD1 TYR 16 -14.400 -4.354 12.057 106 HD2 TYR 16 HD2 TYR 16 -12.211 -3.784 8.454 107 HE1 TYR 16 HE1 TYR 16 -14.450 -1.922 12.419 108 HE2 TYR 16 HE2 TYR 16 -12.253 -1.350 8.806 109 HH TYR 16 HH TYR 16 -12.916 0.310 10.116 110 HA PRO 17 HA PRO 17 -14.728 -10.012 7.608 111 HB2 PRO 17 1HB PRO 17 -12.896 -9.906 5.607 112 HB3 PRO 17 2HB PRO 17 -14.544 -9.292 5.434 113 HG2 PRO 17 1HG PRO 17 -12.016 -7.795 6.005 114 HG3 PRO 17 2HG PRO 17 -13.340 -7.375 4.903 115 HD2 PRO 17 1HD PRO 17 -13.083 -6.267 7.360 116 HD3 PRO 17 2HD PRO 17 -14.662 -6.554 6.603 117 H LYS 18 H LYS 18 -13.813 -11.542 8.814 118 HA LYS 18 HA LYS 18 -11.257 -11.274 10.023 119 HB2 LYS 18 1HB LYS 18 -13.359 -12.691 10.719 120 HB3 LYS 18 2HB LYS 18 -12.604 -13.931 9.726 121 HG2 LYS 18 1HG LYS 18 -10.811 -14.172 11.146 122 HG3 LYS 18 2HG LYS 18 -10.992 -12.551 11.821 123 HD2 LYS 18 1HD LYS 18 -13.181 -13.377 12.817 124 HD3 LYS 18 2HD LYS 18 -12.647 -15.001 12.380 125 HE2 LYS 18 1HE LYS 18 -12.042 -14.619 14.658 126 HE3 LYS 18 2HE LYS 18 -10.566 -14.587 13.695 127 HZ1 LYS 18 3HZ LYS 18 -10.181 -12.475 14.242 128 HZ2 LYS 18 1HZ LYS 18 -11.328 -12.687 15.468 129 HZ3 LYS 18 2HZ LYS 18 -11.786 -12.004 13.989 130 H ALA 19 H ALA 19 -9.296 -12.053 9.451 131 HA ALA 19 HA ALA 19 -8.710 -12.591 6.774 132 HB1 ALA 19 1HB ALA 19 -7.174 -11.827 8.718 133 HB2 ALA 19 2HB ALA 19 -6.928 -13.556 8.973 134 HB3 ALA 19 3HB ALA 19 -6.502 -12.823 7.426 135 H GLY 20 H GLY 20 -9.311 -14.310 5.632 136 HA2 GLY 20 1HA GLY 20 -8.988 -16.622 5.106 137 HA3 GLY 20 2HA GLY 20 -8.945 -16.971 6.828 138 H GLN 21 H GLN 21 -11.396 -14.819 6.362 139 HA GLN 21 HA GLN 21 -13.374 -16.992 6.220 140 HB2 GLN 21 1HB GLN 21 -13.087 -14.687 7.947 141 HB3 GLN 21 2HB GLN 21 -14.654 -14.685 7.150 142 HG2 GLN 21 1HG GLN 21 -14.617 -17.223 7.923 143 HG3 GLN 21 2HG GLN 21 -13.542 -16.559 9.151 144 HE21 GLN 21 2HE2 GLN 21 -14.625 -14.097 9.581 145 HE22 GLN 21 1HE2 GLN 21 -16.210 -14.259 10.249 146 H VAL 22 H VAL 22 -15.544 -16.274 5.335 147 HA VAL 22 HA VAL 22 -15.089 -15.058 2.741 148 HB VAL 22 HB VAL 22 -17.674 -16.170 3.833 149 HG11 VAL 22 1HG1 VAL 22 -18.271 -14.992 1.951 150 HG12 VAL 22 2HG1 VAL 22 -16.725 -15.277 1.150 151 HG13 VAL 22 3HG1 VAL 22 -17.915 -16.574 1.259 152 HG21 VAL 22 3HG2 VAL 22 -16.284 -18.020 3.962 153 HG22 VAL 22 1HG2 VAL 22 -16.950 -18.162 2.335 154 HG23 VAL 22 2HG2 VAL 22 -15.323 -17.523 2.569 155 H ALA 23 H ALA 23 -16.259 -13.291 1.916 156 HA ALA 23 HA ALA 23 -17.932 -11.739 3.709 157 HB1 ALA 23 1HB ALA 23 -16.610 -9.725 3.593 158 HB2 ALA 23 2HB ALA 23 -15.632 -11.029 4.267 159 HB3 ALA 23 3HB ALA 23 -15.406 -10.533 2.590 160 H VAL 24 H VAL 24 -19.441 -10.590 2.632 161 HA VAL 24 HA VAL 24 -19.356 -10.700 -0.296 162 HB VAL 24 HB VAL 24 -21.727 -9.936 1.401 163 HG11 VAL 24 1HG1 VAL 24 -22.944 -9.954 -0.500 164 HG12 VAL 24 2HG1 VAL 24 -21.379 -9.646 -1.255 165 HG13 VAL 24 3HG1 VAL 24 -22.027 -11.286 -1.203 166 HG21 VAL 24 3HG2 VAL 24 -20.469 -12.505 1.151 167 HG22 VAL 24 1HG2 VAL 24 -21.876 -12.038 2.106 168 HG23 VAL 24 2HG2 VAL 24 -22.077 -12.544 0.429 169 H VAL 25 H VAL 25 -19.095 -8.931 -1.500 170 HA VAL 25 HA VAL 25 -19.759 -6.305 -0.424 171 HB VAL 25 HB VAL 25 -17.654 -5.316 -0.735 172 HG11 VAL 25 1HG1 VAL 25 -17.877 -6.810 1.271 173 HG12 VAL 25 2HG1 VAL 25 -16.960 -8.026 0.379 174 HG13 VAL 25 3HG1 VAL 25 -16.221 -6.473 0.769 175 HG21 VAL 25 3HG2 VAL 25 -15.762 -7.010 -1.597 176 HG22 VAL 25 1HG2 VAL 25 -17.154 -7.660 -2.463 177 HG23 VAL 25 2HG2 VAL 25 -16.692 -5.972 -2.678 178 H HIS 26 H HIS 26 -19.272 -4.584 -2.182 179 HA HIS 26 HA HIS 26 -20.098 -5.700 -4.782 180 HB2 HIS 26 1HB HIS 26 -21.120 -3.471 -3.181 181 HB3 HIS 26 2HB HIS 26 -20.804 -3.035 -4.858 182 HD1 HIS 26 HD1 HIS 26 -21.828 -5.160 -6.528 183 HD2 HIS 26 HD2 HIS 26 -23.685 -4.240 -2.927 184 HE1 HIS 26 HE1 HIS 26 -24.168 -6.059 -6.729 185 H TYR 27 H TYR 27 -18.689 -5.484 -6.381 186 HA TYR 27 HA TYR 27 -16.542 -3.498 -6.107 187 HB2 TYR 27 1HB TYR 27 -15.284 -4.877 -7.695 188 HB3 TYR 27 2HB TYR 27 -15.807 -5.831 -6.312 189 HD1 TYR 27 HD2 TYR 27 -16.553 -5.084 -9.864 190 HD2 TYR 27 HD1 TYR 27 -17.159 -7.744 -6.599 191 HE1 TYR 27 HE2 TYR 27 -17.600 -6.707 -11.388 192 HE2 TYR 27 HE1 TYR 27 -18.205 -9.375 -8.114 193 HH TYR 27 HH TYR 27 -17.996 -9.830 -10.756 194 H THR 28 H THR 28 -16.111 -2.023 -7.698 195 HA THR 28 HA THR 28 -17.852 -2.016 -10.065 196 HB THR 28 HB THR 28 -17.270 0.455 -8.424 197 HG1 THR 28 HG1 THR 28 -19.170 0.152 -7.463 198 HG21 THR 28 3HG2 THR 28 -18.057 1.605 -10.161 199 HG22 THR 28 1HG2 THR 28 -19.533 0.642 -10.167 200 HG23 THR 28 2HG2 THR 28 -18.129 0.109 -11.092 201 H GLY 29 H GLY 29 -16.709 -1.832 -11.875 202 HA2 GLY 29 1HA GLY 29 -13.909 -1.440 -11.877 203 HA3 GLY 29 2HA GLY 29 -14.943 -1.469 -13.297 204 H THR 30 H THR 30 -12.635 0.272 -12.454 205 HA THR 30 HA THR 30 -13.635 2.707 -13.516 206 HB THR 30 HB THR 30 -12.598 3.608 -11.017 207 HG1 THR 30 HG1 THR 30 -13.438 1.495 -10.318 208 HG21 THR 30 3HG2 THR 30 -15.072 4.452 -10.894 209 HG22 THR 30 1HG2 THR 30 -15.161 3.831 -12.541 210 HG23 THR 30 2HG2 THR 30 -13.986 5.081 -12.133 211 H LEU 31 H LEU 31 -12.002 3.975 -14.281 212 HA LEU 31 HA LEU 31 -9.288 2.946 -13.896 213 HB2 LEU 31 1HB LEU 31 -10.607 4.599 -16.016 214 HB3 LEU 31 2HB LEU 31 -8.851 4.565 -15.864 215 HG LEU 31 HG LEU 31 -10.631 2.190 -16.415 216 HD11 LEU 31 1HD1 LEU 31 -8.656 3.593 -18.208 217 HD12 LEU 31 2HD1 LEU 31 -10.407 3.782 -18.292 218 HD13 LEU 31 3HD1 LEU 31 -9.673 2.213 -18.623 219 HD21 LEU 31 3HD2 LEU 31 -8.864 1.222 -15.318 220 HD22 LEU 31 1HD2 LEU 31 -7.726 2.476 -15.812 221 HD23 LEU 31 2HD2 LEU 31 -8.244 1.250 -16.969 222 H ALA 32 H ALA 32 -7.506 4.484 -13.715 223 HA ALA 32 HA ALA 32 -7.837 6.283 -11.605 224 HB1 ALA 32 1HB ALA 32 -5.685 5.359 -12.003 225 HB2 ALA 32 2HB ALA 32 -5.634 6.017 -13.639 226 HB3 ALA 32 3HB ALA 32 -5.552 7.101 -12.250 227 H ASP 33 H ASP 33 -8.364 6.680 -14.981 228 HA ASP 33 HA ASP 33 -8.167 9.561 -14.948 229 HB2 ASP 33 1HB ASP 33 -9.478 7.951 -17.124 230 HB3 ASP 33 2HB ASP 33 -8.625 9.487 -17.251 231 H GLY 34 H GLY 34 -10.510 7.250 -14.122 232 HA2 GLY 34 1HA GLY 34 -12.464 8.063 -12.918 233 HA3 GLY 34 2HA GLY 34 -12.574 9.362 -14.096 234 H LYS 35 H LYS 35 -11.846 7.139 -16.143 235 HA LYS 35 HA LYS 35 -14.351 6.774 -17.239 236 HB2 LYS 35 1HB LYS 35 -11.695 5.807 -17.726 237 HB3 LYS 35 2HB LYS 35 -12.833 4.479 -17.912 238 HG2 LYS 35 1HG LYS 35 -12.954 7.132 -19.332 239 HG3 LYS 35 2HG LYS 35 -12.447 5.592 -20.030 240 HD2 LYS 35 1HD LYS 35 -14.713 4.689 -19.497 241 HD3 LYS 35 2HD LYS 35 -15.189 6.315 -18.999 242 HE2 LYS 35 1HE LYS 35 -14.375 7.028 -21.339 243 HE3 LYS 35 2HE LYS 35 -14.468 5.312 -21.732 244 HZ1 LYS 35 3HZ LYS 35 -16.726 6.916 -20.661 245 HZ2 LYS 35 1HZ LYS 35 -16.789 5.308 -21.183 246 HZ3 LYS 35 2HZ LYS 35 -16.502 6.548 -22.297 247 H VAL 36 H VAL 36 -16.079 5.721 -16.541 248 HA VAL 36 HA VAL 36 -15.915 3.818 -14.394 249 HB VAL 36 HB VAL 36 -17.804 5.471 -14.733 250 HG11 VAL 36 1HG1 VAL 36 -18.112 5.062 -17.140 251 HG12 VAL 36 2HG1 VAL 36 -18.701 3.440 -16.775 252 HG13 VAL 36 3HG1 VAL 36 -19.607 4.852 -16.231 253 HG21 VAL 36 3HG2 VAL 36 -18.966 4.202 -13.313 254 HG22 VAL 36 1HG2 VAL 36 -19.250 2.965 -14.538 255 HG23 VAL 36 2HG2 VAL 36 -17.760 2.947 -13.596 256 H PHE 37 H PHE 37 -16.229 1.634 -14.453 257 HA PHE 37 HA PHE 37 -16.446 0.405 -17.122 258 HB2 PHE 37 1HB PHE 37 -14.549 -0.085 -14.900 259 HB3 PHE 37 2HB PHE 37 -15.168 -1.516 -15.719 260 HD1 PHE 37 HD1 PHE 37 -13.637 1.799 -16.454 261 HD2 PHE 37 HD2 PHE 37 -14.112 -2.266 -17.624 262 HE1 PHE 37 HE1 PHE 37 -11.998 2.130 -18.259 263 HE2 PHE 37 HE2 PHE 37 -12.473 -1.941 -19.430 264 HZ PHE 37 HZ PHE 37 -11.413 0.259 -19.749 265 H ASP 38 H ASP 38 -16.818 -2.167 -16.577 266 HA ASP 38 HA ASP 38 -19.502 -2.382 -15.894 267 HB2 ASP 38 1HB ASP 38 -17.939 -4.048 -17.132 268 HB3 ASP 38 2HB ASP 38 -17.607 -4.683 -15.523 269 H SER 39 H SER 39 -20.605 -2.648 -14.043 270 HA SER 39 HA SER 39 -19.056 -3.037 -11.567 271 HB2 SER 39 1HB SER 39 -19.927 -0.691 -11.884 272 HB3 SER 39 2HB SER 39 -21.559 -1.356 -11.807 273 HG SER 39 HG SER 39 -20.467 -2.343 -9.727 274 H SER 40 H SER 40 -19.995 -4.280 -9.943 275 HA SER 40 HA SER 40 -21.867 -6.259 -10.878 276 HB2 SER 40 1HB SER 40 -19.793 -6.405 -9.165 277 HB3 SER 40 2HB SER 40 -21.107 -6.190 -8.009 278 HG SER 40 HG SER 40 -20.538 -8.326 -9.681 279 H ARG 41 H ARG 41 -22.022 -3.330 -9.101 280 HA ARG 41 HA ARG 41 -24.495 -3.937 -7.747 281 HB2 ARG 41 1HB ARG 41 -24.436 -1.498 -7.157 282 HB3 ARG 41 2HB ARG 41 -23.022 -2.412 -6.646 283 HG2 ARG 41 1HG ARG 41 -21.630 -1.335 -8.084 284 HG3 ARG 41 2HG ARG 41 -22.899 -1.055 -9.277 285 HD2 ARG 41 1HD ARG 41 -22.036 0.988 -8.063 286 HD3 ARG 41 2HD ARG 41 -23.784 0.759 -8.056 287 HE ARG 41 HE ARG 41 -22.447 -0.346 -5.759 288 HH11 ARG 41 1HH1 ARG 41 -23.920 2.489 -7.143 289 HH12 ARG 41 2HH1 ARG 41 -24.269 3.216 -5.609 290 HH21 ARG 41 1HH2 ARG 41 -22.902 0.601 -3.734 291 HH22 ARG 41 2HH2 ARG 41 -23.689 2.141 -3.671 292 H THR 42 H THR 42 -23.540 -2.701 -10.808 293 HA THR 42 HA THR 42 -25.618 -1.048 -11.545 294 HB THR 42 HB THR 42 -23.569 -1.683 -12.921 295 HG1 THR 42 HG1 THR 42 -26.181 -1.458 -14.009 296 HG21 THR 42 3HG2 THR 42 -25.253 -3.745 -14.248 297 HG22 THR 42 1HG2 THR 42 -24.399 -4.200 -12.774 298 HG23 THR 42 2HG2 THR 42 -23.497 -3.602 -14.166 299 H ARG 43 H ARG 43 -25.624 -4.502 -11.117 300 HA ARG 43 HA ARG 43 -28.410 -4.603 -12.070 301 HB2 ARG 43 1HB ARG 43 -26.261 -6.713 -11.982 302 HB3 ARG 43 2HB ARG 43 -27.961 -7.120 -12.175 303 HG2 ARG 43 1HG ARG 43 -26.644 -5.160 -14.011 304 HG3 ARG 43 2HG ARG 43 -26.481 -6.898 -14.269 305 HD2 ARG 43 1HD ARG 43 -29.017 -6.999 -14.144 306 HD3 ARG 43 2HD ARG 43 -28.989 -5.240 -14.266 307 HE ARG 43 HE ARG 43 -27.470 -6.451 -16.342 308 HH11 ARG 43 1HH1 ARG 43 -30.724 -5.741 -15.329 309 HH12 ARG 43 2HH1 ARG 43 -31.357 -5.704 -16.942 310 HH21 ARG 43 1HH2 ARG 43 -28.291 -6.405 -18.470 311 HH22 ARG 43 2HH2 ARG 43 -29.972 -6.083 -18.727 312 H GLY 44 H GLY 44 -26.466 -4.654 -9.333 313 HA2 GLY 44 1HA GLY 44 -27.181 -4.755 -7.118 314 HA3 GLY 44 2HA GLY 44 -28.727 -5.381 -7.672 315 H LYS 45 H LYS 45 -25.706 -6.805 -8.675 316 HA LYS 45 HA LYS 45 -26.338 -9.162 -7.024 317 HB2 LYS 45 1HB LYS 45 -26.310 -9.134 -9.702 318 HB3 LYS 45 2HB LYS 45 -24.601 -9.435 -9.420 319 HG2 LYS 45 1HG LYS 45 -26.698 -11.093 -8.074 320 HG3 LYS 45 2HG LYS 45 -26.175 -11.441 -9.723 321 HD2 LYS 45 1HD LYS 45 -24.085 -11.054 -7.643 322 HD3 LYS 45 2HD LYS 45 -25.010 -12.557 -7.621 323 HE2 LYS 45 1HE LYS 45 -23.876 -11.619 -10.209 324 HE3 LYS 45 2HE LYS 45 -22.783 -12.326 -9.020 325 HZ1 LYS 45 3HZ LYS 45 -25.027 -13.970 -9.187 326 HZ2 LYS 45 1HZ LYS 45 -23.446 -14.316 -9.678 327 HZ3 LYS 45 2HZ LYS 45 -24.542 -13.637 -10.772 328 HA PRO 46 HA PRO 46 -22.369 -7.672 -5.312 329 HB2 PRO 46 1HB PRO 46 -22.821 -8.693 -2.838 330 HB3 PRO 46 2HB PRO 46 -23.455 -7.129 -3.362 331 HG2 PRO 46 1HG PRO 46 -24.831 -9.785 -3.234 332 HG3 PRO 46 2HG PRO 46 -25.435 -8.187 -2.756 333 HD2 PRO 46 1HD PRO 46 -26.102 -9.353 -5.108 334 HD3 PRO 46 2HD PRO 46 -25.949 -7.594 -4.924 335 H PHE 47 H PHE 47 -20.497 -8.803 -4.733 336 HA PHE 47 HA PHE 47 -20.660 -11.731 -5.030 337 HB2 PHE 47 1HB PHE 47 -19.559 -10.374 -6.923 338 HB3 PHE 47 2HB PHE 47 -18.241 -10.107 -5.787 339 HD1 PHE 47 HD1 PHE 47 -19.989 -12.570 -7.844 340 HD2 PHE 47 HD2 PHE 47 -16.778 -11.909 -5.129 341 HE1 PHE 47 HE1 PHE 47 -19.012 -14.738 -8.477 342 HE2 PHE 47 HE2 PHE 47 -15.795 -14.075 -5.758 343 HZ PHE 47 HZ PHE 47 -16.912 -15.492 -7.435 344 H ARG 48 H ARG 48 -19.256 -12.999 -3.775 345 HA ARG 48 HA ARG 48 -17.914 -11.585 -1.568 346 HB2 ARG 48 1HB ARG 48 -18.843 -12.947 0.043 347 HB3 ARG 48 2HB ARG 48 -20.183 -12.813 -1.088 348 HG2 ARG 48 1HG ARG 48 -18.237 -15.106 -0.915 349 HG3 ARG 48 2HG ARG 48 -19.900 -15.101 -0.323 350 HD2 ARG 48 1HD ARG 48 -18.996 -14.827 -3.187 351 HD3 ARG 48 2HD ARG 48 -19.800 -16.219 -2.462 352 HE ARG 48 HE ARG 48 -21.032 -13.809 -3.402 353 HH11 ARG 48 1HH1 ARG 48 -21.317 -16.455 -1.158 354 HH12 ARG 48 2HH1 ARG 48 -23.042 -16.343 -1.044 355 HH21 ARG 48 1HH2 ARG 48 -23.303 -13.651 -3.260 356 HH22 ARG 48 2HH2 ARG 48 -24.171 -14.748 -2.240 357 H PHE 49 H PHE 49 -16.339 -13.053 -0.402 358 HA PHE 49 HA PHE 49 -15.280 -15.340 -1.674 359 HB2 PHE 49 1HB PHE 49 -13.167 -14.396 -2.515 360 HB3 PHE 49 2HB PHE 49 -14.556 -13.741 -3.376 361 HD1 PHE 49 HD1 PHE 49 -15.221 -11.426 -3.089 362 HD2 PHE 49 HD2 PHE 49 -11.825 -13.013 -1.073 363 HE1 PHE 49 HE1 PHE 49 -14.461 -9.142 -2.578 364 HE2 PHE 49 HE2 PHE 49 -11.060 -10.732 -0.558 365 HZ PHE 49 HZ PHE 49 -12.379 -8.793 -1.310 366 H THR 50 H THR 50 -13.036 -15.868 -0.770 367 HA THR 50 HA THR 50 -13.130 -15.382 2.087 368 HB THR 50 HB THR 50 -11.134 -17.074 0.578 369 HG1 THR 50 HG1 THR 50 -13.408 -17.671 0.253 370 HG21 THR 50 3HG2 THR 50 -12.040 -17.021 3.457 371 HG22 THR 50 1HG2 THR 50 -10.443 -16.602 2.838 372 HG23 THR 50 2HG2 THR 50 -11.009 -18.271 2.760 373 H VAL 51 H VAL 51 -12.291 -13.484 2.718 374 HA VAL 51 HA VAL 51 -10.240 -12.079 1.401 375 HB VAL 51 HB VAL 51 -10.943 -11.820 4.324 376 HG11 VAL 51 1HG1 VAL 51 -9.604 -10.054 2.306 377 HG12 VAL 51 2HG1 VAL 51 -10.393 -9.376 3.731 378 HG13 VAL 51 3HG1 VAL 51 -9.058 -10.513 3.918 379 HG21 VAL 51 3HG2 VAL 51 -13.035 -11.617 3.355 380 HG22 VAL 51 1HG2 VAL 51 -12.463 -9.948 3.351 381 HG23 VAL 51 2HG2 VAL 51 -12.394 -10.907 1.873 382 H GLY 52 H GLY 52 -8.343 -13.127 1.071 383 HA2 GLY 52 1HA GLY 52 -6.150 -13.188 2.321 384 HA3 GLY 52 2HA GLY 52 -6.991 -14.241 3.449 385 H ARG 53 H ARG 53 -8.409 -15.292 0.879 386 HA ARG 53 HA ARG 53 -6.555 -17.480 0.502 387 HB2 ARG 53 1HB ARG 53 -9.377 -16.929 -0.365 388 HB3 ARG 53 2HB ARG 53 -8.465 -18.252 -1.081 389 HG2 ARG 53 1HG ARG 53 -8.774 -17.972 1.889 390 HG3 ARG 53 2HG ARG 53 -9.980 -18.791 0.892 391 HD2 ARG 53 1HD ARG 53 -7.097 -19.543 0.666 392 HD3 ARG 53 2HD ARG 53 -8.059 -20.155 2.010 393 HE ARG 53 HE ARG 53 -8.176 -21.008 -0.710 394 HH11 ARG 53 1HH1 ARG 53 -10.061 -20.599 2.188 395 HH12 ARG 53 2HH1 ARG 53 -11.208 -21.828 1.771 396 HH21 ARG 53 1HH2 ARG 53 -9.680 -22.629 -1.270 397 HH22 ARG 53 2HH2 ARG 53 -10.990 -22.983 -0.195 398 H GLY 54 H GLY 54 -6.634 -18.336 -1.951 399 HA2 GLY 54 1HA GLY 54 -5.395 -16.168 -3.491 400 HA3 GLY 54 2HA GLY 54 -5.180 -17.889 -3.776 401 H GLU 55 H GLU 55 -8.396 -16.838 -3.223 402 HA GLU 55 HA GLU 55 -9.128 -17.561 -5.920 403 HB2 GLU 55 1HB GLU 55 -10.805 -16.610 -3.592 404 HB3 GLU 55 2HB GLU 55 -11.448 -17.174 -5.128 405 HG2 GLU 55 1HG GLU 55 -9.646 -18.918 -3.504 406 HG3 GLU 55 2HG GLU 55 -11.363 -18.792 -3.126 407 H VAL 56 H VAL 56 -8.588 -14.665 -4.111 408 HA VAL 56 HA VAL 56 -9.607 -13.066 -6.369 409 HB VAL 56 HB VAL 56 -9.789 -11.179 -4.754 410 HG11 VAL 56 1HG1 VAL 56 -11.433 -13.446 -3.703 411 HG12 VAL 56 2HG1 VAL 56 -11.904 -11.776 -4.027 412 HG13 VAL 56 3HG1 VAL 56 -11.639 -12.894 -5.365 413 HG21 VAL 56 3HG2 VAL 56 -8.140 -12.352 -3.141 414 HG22 VAL 56 1HG2 VAL 56 -9.480 -11.424 -2.467 415 HG23 VAL 56 2HG2 VAL 56 -9.575 -13.183 -2.540 416 H ILE 57 H ILE 57 -8.471 -10.722 -6.116 417 HA ILE 57 HA ILE 57 -5.632 -11.284 -6.499 418 HB ILE 57 HB ILE 57 -5.547 -8.966 -7.425 419 HG12 ILE 57 1HG1 ILE 57 -8.500 -8.892 -7.658 420 HG13 ILE 57 2HG1 ILE 57 -7.842 -8.526 -6.068 421 HG21 ILE 57 1HG2 ILE 57 -5.754 -10.776 -8.956 422 HG22 ILE 57 2HG2 ILE 57 -7.477 -10.939 -8.624 423 HG23 ILE 57 3HG2 ILE 57 -6.875 -9.520 -9.480 424 HD11 ILE 57 3HD1 ILE 57 -7.098 -7.133 -8.629 425 HD12 ILE 57 1HD1 ILE 57 -8.203 -6.516 -7.401 426 HD13 ILE 57 2HD1 ILE 57 -6.497 -6.745 -7.017 427 H ARG 58 H ARG 58 -4.022 -9.756 -5.670 428 HA ARG 58 HA ARG 58 -4.064 -9.492 -2.926 429 HB2 ARG 58 1HB ARG 58 -2.528 -7.786 -4.894 430 HB3 ARG 58 2HB ARG 58 -2.160 -7.956 -3.183 431 HG2 ARG 58 1HG ARG 58 -2.296 -10.438 -4.790 432 HG3 ARG 58 2HG ARG 58 -0.923 -9.363 -5.062 433 HD2 ARG 58 1HD ARG 58 -0.221 -9.528 -2.818 434 HD3 ARG 58 2HD ARG 58 -1.752 -10.240 -2.311 435 HE ARG 58 HE ARG 58 -0.644 -11.973 -4.164 436 HH11 ARG 58 1HH1 ARG 58 0.167 -10.693 -1.030 437 HH12 ARG 58 2HH1 ARG 58 1.067 -12.093 -0.547 438 HH21 ARG 58 1HH2 ARG 58 0.537 -13.821 -3.540 439 HH22 ARG 58 2HH2 ARG 58 1.277 -13.871 -1.976 440 H GLY 59 H GLY 59 -4.876 -7.046 -5.371 441 HA2 GLY 59 1HA GLY 59 -5.267 -4.837 -3.781 442 HA3 GLY 59 2HA GLY 59 -6.211 -5.179 -5.223 443 H TRP 60 H TRP 60 -7.875 -7.078 -4.734 444 HA TRP 60 HA TRP 60 -9.832 -6.007 -3.070 445 HB2 TRP 60 1HB TRP 60 -9.439 -8.673 -4.371 446 HB3 TRP 60 2HB TRP 60 -10.742 -8.476 -3.202 447 HD1 TRP 60 HD1 TRP 60 -10.139 -5.371 -5.185 448 HE1 TRP 60 HE1 TRP 60 -11.975 -5.096 -6.967 449 HE3 TRP 60 HE3 TRP 60 -12.276 -10.005 -4.871 450 HZ2 TRP 60 HZ2 TRP 60 -14.054 -6.638 -8.091 451 HZ3 TRP 60 HZ3 TRP 60 -14.185 -10.524 -6.334 452 HH2 TRP 60 HH2 TRP 60 -15.055 -8.875 -7.910 453 H ASP 61 H ASP 61 -7.496 -8.595 -2.447 454 HA ASP 61 HA ASP 61 -8.373 -9.518 -0.011 455 HB2 ASP 61 1HB ASP 61 -6.205 -10.025 -1.524 456 HB3 ASP 61 2HB ASP 61 -5.448 -9.082 -0.243 457 H GLU 62 H GLU 62 -5.854 -7.015 -0.386 458 HA GLU 62 HA GLU 62 -5.920 -6.225 2.319 459 HB2 GLU 62 1HB GLU 62 -4.808 -5.027 -0.191 460 HB3 GLU 62 2HB GLU 62 -4.828 -4.078 1.289 461 HG2 GLU 62 1HG GLU 62 -3.694 -6.193 2.315 462 HG3 GLU 62 2HG GLU 62 -3.285 -6.539 0.636 463 H GLY 63 H GLY 63 -7.429 -4.845 -0.585 464 HA2 GLY 63 1HA GLY 63 -8.549 -2.559 0.477 465 HA3 GLY 63 2HA GLY 63 -9.280 -3.502 -0.813 466 H VAL 64 H VAL 64 -10.319 -5.636 0.110 467 HA VAL 64 HA VAL 64 -12.503 -4.841 1.695 468 HB VAL 64 HB VAL 64 -12.485 -6.750 0.056 469 HG11 VAL 64 1HG1 VAL 64 -11.450 -8.738 0.467 470 HG12 VAL 64 2HG1 VAL 64 -10.331 -7.664 1.308 471 HG13 VAL 64 3HG1 VAL 64 -11.551 -8.557 2.218 472 HG21 VAL 64 3HG2 VAL 64 -14.033 -6.323 2.256 473 HG22 VAL 64 1HG2 VAL 64 -14.354 -7.537 1.018 474 HG23 VAL 64 2HG2 VAL 64 -13.518 -7.991 2.503 475 H ALA 65 H ALA 65 -9.451 -6.367 2.486 476 HA ALA 65 HA ALA 65 -10.024 -7.332 5.036 477 HB1 ALA 65 1HB ALA 65 -7.513 -6.380 3.718 478 HB2 ALA 65 2HB ALA 65 -7.510 -6.840 5.421 479 HB3 ALA 65 3HB ALA 65 -7.978 -8.014 4.192 480 H GLN 66 H GLN 66 -9.075 -4.097 3.979 481 HA GLN 66 HA GLN 66 -9.258 -3.122 6.732 482 HB2 GLN 66 1HB GLN 66 -8.419 -1.607 4.257 483 HB3 GLN 66 2HB GLN 66 -8.224 -1.093 5.927 484 HG2 GLN 66 1HG GLN 66 -6.575 -2.738 6.338 485 HG3 GLN 66 2HG GLN 66 -6.923 -3.562 4.818 486 HE21 GLN 66 2HE2 GLN 66 -6.461 -2.363 2.835 487 HE22 GLN 66 1HE2 GLN 66 -5.115 -1.281 2.814 488 H MET 67 H MET 67 -11.577 -3.931 5.014 489 HA MET 67 HA MET 67 -12.997 -1.355 4.924 490 HB2 MET 67 1HB MET 67 -13.363 -3.918 3.399 491 HB3 MET 67 2HB MET 67 -14.671 -2.750 3.528 492 HG2 MET 67 1HG MET 67 -12.039 -1.721 2.663 493 HG3 MET 67 2HG MET 67 -12.913 -2.751 1.531 494 HE1 MET 67 3HE MET 67 -16.171 -0.808 0.842 495 HE2 MET 67 1HE MET 67 -15.191 -2.234 0.501 496 HE3 MET 67 2HE MET 67 -15.979 -2.060 2.069 497 H SER 68 H SER 68 -15.249 -1.352 5.608 498 HA SER 68 HA SER 68 -15.810 -3.384 7.668 499 HB2 SER 68 1HB SER 68 -17.005 -1.500 8.896 500 HB3 SER 68 2HB SER 68 -15.244 -1.404 8.863 501 HG SER 68 HG SER 68 -16.958 0.413 8.051 502 H VAL 69 H VAL 69 -17.958 -4.003 7.955 503 HA VAL 69 HA VAL 69 -19.545 -4.253 5.711 504 HB VAL 69 HB VAL 69 -20.449 -4.263 8.594 505 HG11 VAL 69 1HG1 VAL 69 -21.792 -5.328 6.112 506 HG12 VAL 69 2HG1 VAL 69 -22.328 -5.635 7.765 507 HG13 VAL 69 3HG1 VAL 69 -22.347 -3.992 7.121 508 HG21 VAL 69 3HG2 VAL 69 -18.603 -5.872 7.794 509 HG22 VAL 69 1HG2 VAL 69 -19.986 -6.546 8.657 510 HG23 VAL 69 2HG2 VAL 69 -19.894 -6.674 6.900 511 H GLY 70 H GLY 70 -20.875 -2.949 4.628 512 HA2 GLY 70 1HA GLY 70 -22.437 -1.269 4.260 513 HA3 GLY 70 2HA GLY 70 -22.334 -0.838 5.960 514 H GLN 71 H GLN 71 -19.284 -1.071 4.548 515 HA GLN 71 HA GLN 71 -19.152 1.858 4.315 516 HB2 GLN 71 1HB GLN 71 -17.712 0.490 6.010 517 HB3 GLN 71 2HB GLN 71 -16.737 0.104 4.598 518 HG2 GLN 71 1HG GLN 71 -16.916 2.770 4.321 519 HG3 GLN 71 2HG GLN 71 -17.019 2.633 6.075 520 HE21 GLN 71 2HE2 GLN 71 -15.034 2.185 3.273 521 HE22 GLN 71 1HE2 GLN 71 -13.546 1.925 4.112 522 H ARG 72 H ARG 72 -18.504 2.800 2.461 523 HA ARG 72 HA ARG 72 -17.665 1.022 0.265 524 HB2 ARG 72 1HB ARG 72 -19.885 1.845 -0.183 525 HB3 ARG 72 2HB ARG 72 -19.395 3.495 0.175 526 HG2 ARG 72 1HG ARG 72 -18.423 3.795 -1.847 527 HG3 ARG 72 2HG ARG 72 -17.928 2.107 -1.983 528 HD2 ARG 72 1HD ARG 72 -19.796 1.532 -3.075 529 HD3 ARG 72 2HD ARG 72 -20.822 2.471 -1.992 530 HE ARG 72 HE ARG 72 -19.925 3.246 -4.564 531 HH11 ARG 72 1HH1 ARG 72 -20.580 4.504 -1.385 532 HH12 ARG 72 2HH1 ARG 72 -20.937 6.102 -1.948 533 HH21 ARG 72 1HH2 ARG 72 -20.393 5.347 -5.319 534 HH22 ARG 72 2HH2 ARG 72 -20.832 6.581 -4.186 535 H ALA 73 H ALA 73 -15.876 1.555 -0.863 536 HA ALA 73 HA ALA 73 -14.778 4.225 -0.785 537 HB1 ALA 73 1HB ALA 73 -13.965 3.257 1.329 538 HB2 ALA 73 2HB ALA 73 -13.194 1.959 0.417 539 HB3 ALA 73 3HB ALA 73 -12.655 3.624 0.206 540 H LYS 74 H LYS 74 -12.732 4.357 -2.082 541 HA LYS 74 HA LYS 74 -13.005 2.643 -4.430 542 HB2 LYS 74 1HB LYS 74 -11.093 4.939 -4.286 543 HB3 LYS 74 2HB LYS 74 -12.000 4.328 -5.664 544 HG2 LYS 74 1HG LYS 74 -14.055 5.255 -4.731 545 HG3 LYS 74 2HG LYS 74 -13.151 5.860 -3.340 546 HD2 LYS 74 1HD LYS 74 -13.364 7.704 -4.783 547 HD3 LYS 74 2HD LYS 74 -11.716 7.121 -5.026 548 HE2 LYS 74 1HE LYS 74 -12.463 5.900 -7.024 549 HE3 LYS 74 2HE LYS 74 -14.094 6.525 -6.786 550 HZ1 LYS 74 3HZ LYS 74 -12.133 7.699 -8.262 551 HZ2 LYS 74 1HZ LYS 74 -12.116 8.594 -6.827 552 HZ3 LYS 74 2HZ LYS 74 -13.546 8.453 -7.719 553 H LEU 75 H LEU 75 -11.578 1.115 -4.974 554 HA LEU 75 HA LEU 75 -9.161 0.851 -3.327 555 HB2 LEU 75 1HB LEU 75 -10.900 -0.998 -3.453 556 HB3 LEU 75 2HB LEU 75 -10.356 -1.253 -5.109 557 HG LEU 75 HG LEU 75 -8.109 -1.793 -4.276 558 HD11 LEU 75 1HD1 LEU 75 -8.000 -0.517 -2.268 559 HD12 LEU 75 2HD1 LEU 75 -7.860 -2.218 -1.824 560 HD13 LEU 75 3HD1 LEU 75 -9.385 -1.366 -1.582 561 HD21 LEU 75 3HD2 LEU 75 -10.536 -3.316 -3.603 562 HD22 LEU 75 1HD2 LEU 75 -9.066 -3.823 -2.770 563 HD23 LEU 75 2HD2 LEU 75 -9.114 -3.791 -4.533 564 H VAL 76 H VAL 76 -7.693 2.123 -4.391 565 HA VAL 76 HA VAL 76 -7.225 1.587 -7.240 566 HB VAL 76 HB VAL 76 -7.487 3.920 -6.825 567 HG11 VAL 76 1HG1 VAL 76 -6.133 3.303 -4.363 568 HG12 VAL 76 2HG1 VAL 76 -5.367 4.676 -5.165 569 HG13 VAL 76 3HG1 VAL 76 -7.090 4.721 -4.790 570 HG21 VAL 76 3HG2 VAL 76 -5.720 4.603 -8.045 571 HG22 VAL 76 1HG2 VAL 76 -4.547 3.947 -6.902 572 HG23 VAL 76 2HG2 VAL 76 -5.323 2.885 -8.077 573 H CYS 77 H CYS 77 -5.908 -0.139 -7.409 574 HA CYS 77 HA CYS 77 -3.339 -0.009 -5.977 575 HB2 CYS 77 1HB CYS 77 -3.369 -2.525 -5.974 576 HB3 CYS 77 2HB CYS 77 -4.571 -1.774 -4.931 577 HG CYS 77 HG CYS 77 -6.697 -2.198 -6.703 578 H SER 78 H SER 78 -1.592 -1.240 -7.059 579 HA SER 78 HA SER 78 -1.425 -0.506 -9.797 580 HB2 SER 78 1HB SER 78 0.359 -1.468 -7.755 581 HB3 SER 78 2HB SER 78 0.611 -2.385 -9.240 582 HG SER 78 HG SER 78 0.508 0.446 -9.148 583 HA PRO 79 HA PRO 79 -2.761 -4.066 -11.982 584 HB2 PRO 79 1HB PRO 79 -0.832 -4.429 -13.858 585 HB3 PRO 79 2HB PRO 79 -1.985 -3.091 -13.912 586 HG2 PRO 79 1HG PRO 79 0.846 -3.113 -12.941 587 HG3 PRO 79 2HG PRO 79 0.015 -1.904 -13.936 588 HD2 PRO 79 1HD PRO 79 0.417 -1.576 -11.279 589 HD3 PRO 79 2HD PRO 79 -1.006 -0.924 -12.117 590 H ASP 80 H ASP 80 0.514 -4.170 -10.730 591 HA ASP 80 HA ASP 80 1.034 -6.903 -11.167 592 HB2 ASP 80 1HB ASP 80 2.139 -4.825 -9.312 593 HB3 ASP 80 2HB ASP 80 2.599 -6.512 -9.100 594 H TYR 81 H TYR 81 -0.918 -5.257 -8.848 595 HA TYR 81 HA TYR 81 -1.191 -7.714 -7.256 596 HB2 TYR 81 1HB TYR 81 -1.525 -4.814 -6.642 597 HB3 TYR 81 2HB TYR 81 -2.514 -5.968 -5.755 598 HD1 TYR 81 HD2 TYR 81 0.931 -6.617 -6.921 599 HD2 TYR 81 HD1 TYR 81 -1.549 -5.647 -3.603 600 HE1 TYR 81 HE2 TYR 81 2.812 -7.049 -5.397 601 HE2 TYR 81 HE1 TYR 81 0.325 -6.075 -2.069 602 HH TYR 81 HH TYR 81 3.407 -7.337 -3.242 603 H ALA 82 H ALA 82 -2.508 -6.701 -9.899 604 HA ALA 82 HA ALA 82 -5.174 -7.668 -9.184 605 HB1 ALA 82 1HB ALA 82 -5.058 -5.102 -9.221 606 HB2 ALA 82 2HB ALA 82 -4.927 -5.274 -10.972 607 HB3 ALA 82 3HB ALA 82 -6.348 -5.891 -10.129 608 H TYR 83 H TYR 83 -6.375 -7.268 -11.666 609 HA TYR 83 HA TYR 83 -5.150 -9.396 -13.169 610 HB2 TYR 83 1HB TYR 83 -7.471 -7.814 -14.200 611 HB3 TYR 83 2HB TYR 83 -7.144 -9.538 -14.342 612 HD1 TYR 83 HD1 TYR 83 -7.528 -11.027 -12.375 613 HD2 TYR 83 HD2 TYR 83 -8.735 -6.947 -12.385 614 HE1 TYR 83 HE1 TYR 83 -9.027 -11.472 -10.477 615 HE2 TYR 83 HE2 TYR 83 -10.237 -7.381 -10.486 616 HH TYR 83 HH TYR 83 -11.229 -10.339 -9.567 617 H GLY 84 H GLY 84 -4.486 -6.206 -12.999 618 HA2 GLY 84 1HA GLY 84 -4.416 -5.173 -15.548 619 HA3 GLY 84 2HA GLY 84 -3.206 -4.828 -14.321 620 H SER 85 H SER 85 -2.378 -7.661 -14.187 621 HA SER 85 HA SER 85 -0.200 -7.616 -15.871 622 HB2 SER 85 1HB SER 85 -1.657 -10.015 -14.739 623 HB3 SER 85 2HB SER 85 -0.061 -10.084 -15.486 624 HG SER 85 HG SER 85 0.629 -8.577 -13.865 625 H ARG 86 H ARG 86 -2.876 -9.916 -16.357 626 HA ARG 86 HA ARG 86 -2.257 -10.523 -19.003 627 HB2 ARG 86 1HB ARG 86 -3.713 -12.012 -17.933 628 HB3 ARG 86 2HB ARG 86 -4.780 -10.724 -17.390 629 HG2 ARG 86 1HG ARG 86 -5.749 -12.112 -19.183 630 HG3 ARG 86 2HG ARG 86 -5.622 -10.406 -19.615 631 HD2 ARG 86 1HD ARG 86 -4.937 -11.837 -21.468 632 HD3 ARG 86 2HD ARG 86 -3.586 -10.870 -20.878 633 HE ARG 86 HE ARG 86 -3.607 -13.385 -19.597 634 HH11 ARG 86 1HH1 ARG 86 -2.920 -11.900 -22.670 635 HH12 ARG 86 2HH1 ARG 86 -1.761 -13.099 -23.138 636 HH21 ARG 86 1HH2 ARG 86 -2.083 -14.971 -20.202 637 HH22 ARG 86 2HH2 ARG 86 -1.287 -14.846 -21.734 638 H GLY 87 H GLY 87 -4.888 -8.396 -17.850 639 HA2 GLY 87 1HA GLY 87 -5.821 -6.519 -18.793 640 HA3 GLY 87 2HA GLY 87 -4.369 -6.382 -19.774 641 H HIS 88 H HIS 88 -7.302 -6.056 -20.368 642 HA HIS 88 HA HIS 88 -7.301 -7.721 -22.783 643 HB2 HIS 88 1HB HIS 88 -9.368 -7.646 -20.646 644 HB3 HIS 88 2HB HIS 88 -9.936 -7.708 -22.312 645 HD1 HIS 88 HD1 HIS 88 -8.079 -9.668 -23.603 646 HD2 HIS 88 HD2 HIS 88 -9.540 -10.187 -19.749 647 HE1 HIS 88 HE1 HIS 88 -7.905 -12.135 -23.145 648 HA PRO 89 HA PRO 89 -8.437 -4.061 -24.918 649 HB2 PRO 89 1HB PRO 89 -10.044 -5.035 -26.878 650 HB3 PRO 89 2HB PRO 89 -8.293 -5.278 -26.862 651 HG2 PRO 89 1HG PRO 89 -10.473 -7.144 -26.009 652 HG3 PRO 89 2HG PRO 89 -9.009 -7.489 -26.949 653 HD2 PRO 89 1HD PRO 89 -9.207 -8.040 -24.305 654 HD3 PRO 89 2HD PRO 89 -7.674 -7.577 -25.072 655 H GLY 90 H GLY 90 -9.730 -2.589 -23.997 656 HA2 GLY 90 1HA GLY 90 -11.693 -1.448 -23.564 657 HA3 GLY 90 2HA GLY 90 -12.576 -2.758 -24.335 658 H VAL 91 H VAL 91 -10.482 -3.916 -21.969 659 HA VAL 91 HA VAL 91 -12.621 -3.894 -19.942 660 HB VAL 91 HB VAL 91 -10.778 -6.227 -20.467 661 HG11 VAL 91 1HG1 VAL 91 -13.135 -6.976 -19.117 662 HG12 VAL 91 2HG1 VAL 91 -11.486 -6.948 -18.490 663 HG13 VAL 91 3HG1 VAL 91 -12.523 -5.532 -18.311 664 HG21 VAL 91 3HG2 VAL 91 -13.097 -7.239 -21.188 665 HG22 VAL 91 1HG2 VAL 91 -13.467 -5.554 -21.556 666 HG23 VAL 91 2HG2 VAL 91 -12.100 -6.348 -22.338 667 H ILE 92 H ILE 92 -9.161 -4.631 -20.397 668 HA ILE 92 HA ILE 92 -8.536 -2.984 -18.073 669 HB ILE 92 HB ILE 92 -7.631 -5.858 -18.292 670 HG12 ILE 92 1HG1 ILE 92 -9.450 -4.496 -16.293 671 HG13 ILE 92 2HG1 ILE 92 -9.953 -5.645 -17.527 672 HG21 ILE 92 1HG2 ILE 92 -7.050 -3.850 -16.122 673 HG22 ILE 92 2HG2 ILE 92 -6.441 -5.500 -16.237 674 HG23 ILE 92 3HG2 ILE 92 -5.924 -4.286 -17.407 675 HD11 ILE 92 3HD1 ILE 92 -9.804 -7.105 -15.833 676 HD12 ILE 92 1HD1 ILE 92 -8.090 -7.104 -16.250 677 HD13 ILE 92 2HD1 ILE 92 -8.676 -6.100 -14.923 678 HA PRO 93 HA PRO 93 -5.246 -1.804 -20.779 679 HB2 PRO 93 1HB PRO 93 -3.790 -0.391 -18.975 680 HB3 PRO 93 2HB PRO 93 -5.290 0.216 -19.686 681 HG2 PRO 93 1HG PRO 93 -4.843 -1.069 -17.020 682 HG3 PRO 93 2HG PRO 93 -5.830 0.346 -17.428 683 HD2 PRO 93 1HD PRO 93 -6.897 -2.112 -17.041 684 HD3 PRO 93 2HD PRO 93 -7.587 -0.941 -18.182 685 HA PRO 94 HA PRO 94 -1.939 -4.644 -20.177 686 HB2 PRO 94 1HB PRO 94 0.106 -3.321 -21.377 687 HB3 PRO 94 2HB PRO 94 -1.219 -4.064 -22.280 688 HG2 PRO 94 1HG PRO 94 -0.831 -1.200 -21.501 689 HG3 PRO 94 2HG PRO 94 -1.386 -1.874 -23.044 690 HD2 PRO 94 1HD PRO 94 -3.089 -0.847 -21.206 691 HD3 PRO 94 2HD PRO 94 -3.536 -2.191 -22.276 692 H ASN 95 H ASN 95 -1.514 -4.762 -17.998 693 HA ASN 95 HA ASN 95 -0.539 -4.331 -15.977 694 HB2 ASN 95 1HB ASN 95 1.820 -3.309 -17.542 695 HB3 ASN 95 2HB ASN 95 1.813 -4.221 -16.035 696 HD21 ASN 95 2HD2 ASN 95 1.528 -4.377 -19.486 697 HD22 ASN 95 1HD2 ASN 95 1.667 -6.093 -19.626 698 H ALA 96 H ALA 96 -2.221 -2.419 -16.166 699 HA ALA 96 HA ALA 96 -0.735 0.042 -15.528 700 HB1 ALA 96 1HB ALA 96 -1.985 1.332 -16.885 701 HB2 ALA 96 2HB ALA 96 -2.254 -0.183 -17.748 702 HB3 ALA 96 3HB ALA 96 -3.454 0.399 -16.594 703 H THR 97 H THR 97 -1.645 1.378 -13.919 704 HA THR 97 HA THR 97 -2.722 0.091 -11.711 705 HB THR 97 HB THR 97 -3.258 3.008 -12.160 706 HG1 THR 97 HG1 THR 97 -1.092 3.440 -11.688 707 HG21 THR 97 3HG2 THR 97 -2.220 1.525 -9.746 708 HG22 THR 97 1HG2 THR 97 -3.929 1.831 -10.051 709 HG23 THR 97 2HG2 THR 97 -2.821 3.182 -9.810 710 H LEU 98 H LEU 98 -4.769 -0.044 -10.811 711 HA LEU 98 HA LEU 98 -7.025 0.825 -12.476 712 HB2 LEU 98 1HB LEU 98 -6.926 -1.866 -11.136 713 HB3 LEU 98 2HB LEU 98 -8.136 -1.266 -12.269 714 HG LEU 98 HG LEU 98 -5.267 -1.757 -13.041 715 HD11 LEU 98 1HD1 LEU 98 -6.509 -3.792 -14.196 716 HD12 LEU 98 2HD1 LEU 98 -7.548 -3.635 -12.780 717 HD13 LEU 98 3HD1 LEU 98 -5.818 -3.913 -12.578 718 HD21 LEU 98 3HD2 LEU 98 -6.757 -0.231 -14.409 719 HD22 LEU 98 1HD2 LEU 98 -7.723 -1.661 -14.773 720 HD23 LEU 98 2HD2 LEU 98 -6.031 -1.591 -15.266 721 H THR 99 H THR 99 -8.957 1.239 -11.357 722 HA THR 99 HA THR 99 -8.745 1.254 -8.420 723 HB THR 99 HB THR 99 -9.907 3.478 -10.110 724 HG1 THR 99 HG1 THR 99 -8.098 4.622 -9.513 725 HG21 THR 99 3HG2 THR 99 -10.067 4.669 -7.934 726 HG22 THR 99 1HG2 THR 99 -9.618 3.172 -7.120 727 HG23 THR 99 2HG2 THR 99 -11.122 3.260 -8.035 728 H PHE 100 H PHE 100 -10.137 -0.355 -7.928 729 HA PHE 100 HA PHE 100 -12.798 -0.323 -9.171 730 HB2 PHE 100 1HB PHE 100 -11.444 -2.514 -7.584 731 HB3 PHE 100 2HB PHE 100 -13.021 -2.631 -8.358 732 HD1 PHE 100 HD1 PHE 100 -9.402 -2.490 -8.907 733 HD2 PHE 100 HD2 PHE 100 -13.223 -2.928 -10.731 734 HE1 PHE 100 HE1 PHE 100 -8.321 -3.273 -10.974 735 HE2 PHE 100 HE2 PHE 100 -12.148 -3.713 -12.800 736 HZ PHE 100 HZ PHE 100 -9.695 -3.887 -12.924 737 H ASP 101 H ASP 101 -14.436 0.476 -8.049 738 HA ASP 101 HA ASP 101 -14.149 1.274 -5.324 739 HB2 ASP 101 1HB ASP 101 -16.084 1.640 -7.470 740 HB3 ASP 101 2HB ASP 101 -16.863 1.395 -5.910 741 H VAL 102 H VAL 102 -14.288 -0.035 -3.637 742 HA VAL 102 HA VAL 102 -15.977 -2.436 -3.836 743 HB VAL 102 HB VAL 102 -13.746 -1.909 -1.870 744 HG11 VAL 102 1HG1 VAL 102 -14.234 -4.655 -2.206 745 HG12 VAL 102 2HG1 VAL 102 -14.567 -3.664 -0.784 746 HG13 VAL 102 3HG1 VAL 102 -15.812 -3.891 -2.013 747 HG21 VAL 102 3HG2 VAL 102 -12.774 -2.050 -4.052 748 HG22 VAL 102 1HG2 VAL 102 -12.494 -3.587 -3.234 749 HG23 VAL 102 2HG2 VAL 102 -13.757 -3.456 -4.457 750 H GLU 103 H GLU 103 -17.626 -2.764 -2.446 751 HA GLU 103 HA GLU 103 -17.914 -0.943 -0.160 752 HB2 GLU 103 1HB GLU 103 -19.310 0.031 -1.843 753 HB3 GLU 103 2HB GLU 103 -19.992 -1.533 -2.267 754 HG2 GLU 103 1HG GLU 103 -21.061 -1.655 -0.068 755 HG3 GLU 103 2HG GLU 103 -20.395 -0.074 0.335 756 H LEU 104 H LEU 104 -17.938 -2.186 1.586 757 HA LEU 104 HA LEU 104 -18.503 -4.948 1.579 758 HB2 LEU 104 1HB LEU 104 -17.228 -3.358 3.278 759 HB3 LEU 104 2HB LEU 104 -18.794 -3.381 4.085 760 HG LEU 104 HG LEU 104 -17.494 -5.043 5.132 761 HD11 LEU 104 1HD1 LEU 104 -19.004 -6.700 3.152 762 HD12 LEU 104 2HD1 LEU 104 -19.858 -5.638 4.271 763 HD13 LEU 104 3HD1 LEU 104 -18.823 -6.923 4.892 764 HD21 LEU 104 3HD2 LEU 104 -16.830 -6.864 3.069 765 HD22 LEU 104 1HD2 LEU 104 -15.745 -5.949 4.116 766 HD23 LEU 104 2HD2 LEU 104 -16.266 -5.267 2.576 767 H LEU 105 H LEU 105 -20.340 -6.065 1.824 768 HA LEU 105 HA LEU 105 -22.794 -4.544 2.410 769 HB2 LEU 105 1HB LEU 105 -22.154 -6.674 0.468 770 HB3 LEU 105 2HB LEU 105 -23.726 -6.788 1.257 771 HG LEU 105 HG LEU 105 -23.965 -5.671 -0.862 772 HD11 LEU 105 1HD1 LEU 105 -24.136 -3.388 1.035 773 HD12 LEU 105 2HD1 LEU 105 -25.084 -4.836 1.372 774 HD13 LEU 105 3HD1 LEU 105 -25.309 -3.969 -0.147 775 HD21 LEU 105 3HD2 LEU 105 -22.833 -3.324 -0.987 776 HD22 LEU 105 1HD2 LEU 105 -21.929 -4.767 -1.444 777 HD23 LEU 105 2HD2 LEU 105 -21.678 -4.035 0.141 778 H ARG 106 H ARG 106 -21.236 -7.711 2.824 779 HA ARG 106 HA ARG 106 -22.360 -7.914 5.488 780 HB2 ARG 106 1HB ARG 106 -23.002 -9.917 3.320 781 HB3 ARG 106 2HB ARG 106 -23.242 -10.220 5.036 782 HG2 ARG 106 1HG ARG 106 -24.848 -8.424 5.171 783 HG3 ARG 106 2HG ARG 106 -24.551 -7.997 3.484 784 HD2 ARG 106 1HD ARG 106 -26.394 -9.284 3.178 785 HD3 ARG 106 2HD ARG 106 -25.181 -10.563 3.148 786 HE ARG 106 HE ARG 106 -26.065 -11.380 5.087 787 HH11 ARG 106 1HH1 ARG 106 -27.100 -8.081 4.687 788 HH12 ARG 106 2HH1 ARG 106 -28.175 -8.116 6.046 789 HH21 ARG 106 1HH2 ARG 106 -27.476 -11.439 6.878 790 HH22 ARG 106 2HH2 ARG 106 -28.387 -10.027 7.291 791 H VAL 107 H VAL 107 -21.496 -9.832 6.658 792 HA VAL 107 HA VAL 107 -18.871 -10.650 5.594 793 HB VAL 107 HB VAL 107 -18.609 -8.972 7.384 794 HG11 VAL 107 1HG1 VAL 107 -20.570 -9.339 8.695 795 HG12 VAL 107 2HG1 VAL 107 -20.099 -11.005 9.035 796 HG13 VAL 107 3HG1 VAL 107 -19.173 -9.669 9.719 797 HG21 VAL 107 3HG2 VAL 107 -17.717 -11.581 8.540 798 HG22 VAL 107 1HG2 VAL 107 -17.080 -11.037 6.988 799 HG23 VAL 107 2HG2 VAL 107 -16.850 -10.050 8.431 800 H GLU 108 H GLU 108 -18.143 -12.725 6.140 801 HA GLU 108 HA GLU 108 -19.856 -14.470 7.698 802 HB2 GLU 108 1HB GLU 108 -19.431 -14.826 4.735 803 HB3 GLU 108 2HB GLU 108 -19.897 -16.156 5.786 804 HG2 GLU 108 1HG GLU 108 -21.813 -14.531 6.500 805 HG3 GLU 108 2HG GLU 108 -21.457 -13.762 4.955 Start of MODEL 13 1 H1 MET 1 H MET 1 1.532 -1.294 1.181 2 HA MET 1 HA MET 1 1.757 0.751 -0.879 3 HB2 MET 1 1HB MET 1 3.804 0.214 0.239 4 HB3 MET 1 2HB MET 1 3.568 -1.508 -0.027 5 HG2 MET 1 1HG MET 1 5.249 -0.687 -1.528 6 HG3 MET 1 2HG MET 1 3.816 -1.147 -2.445 7 HE1 MET 1 3HE MET 1 5.844 2.180 -1.096 8 HE2 MET 1 1HE MET 1 6.521 0.985 -2.203 9 HE3 MET 1 2HE MET 1 6.080 2.586 -2.797 10 H GLY 2 H GLY 2 1.084 0.485 -2.907 11 HA2 GLY 2 1HA GLY 2 0.953 -0.795 -4.931 12 HA3 GLY 2 2HA GLY 2 0.798 -2.249 -3.956 13 H VAL 3 H VAL 3 -1.150 -0.577 -2.236 14 HA VAL 3 HA VAL 3 -3.437 -0.408 -4.034 15 HB VAL 3 HB VAL 3 -3.515 -2.733 -3.355 16 HG11 VAL 3 1HG1 VAL 3 -3.546 -3.466 -1.097 17 HG12 VAL 3 2HG1 VAL 3 -2.173 -2.369 -1.254 18 HG13 VAL 3 3HG1 VAL 3 -3.664 -1.814 -0.492 19 HG21 VAL 3 3HG2 VAL 3 -5.587 -1.360 -1.677 20 HG22 VAL 3 1HG2 VAL 3 -5.601 -1.233 -3.436 21 HG23 VAL 3 2HG2 VAL 3 -5.743 -2.813 -2.664 22 H GLN 4 H GLN 4 -4.572 1.346 -3.549 23 HA GLN 4 HA GLN 4 -4.408 2.407 -0.806 24 HB2 GLN 4 1HB GLN 4 -3.758 3.642 -3.248 25 HB3 GLN 4 2HB GLN 4 -5.271 4.372 -2.729 26 HG2 GLN 4 1HG GLN 4 -3.251 5.579 -1.962 27 HG3 GLN 4 2HG GLN 4 -4.314 5.057 -0.656 28 HE21 GLN 4 2HE2 GLN 4 -1.865 3.319 -2.533 29 HE22 GLN 4 1HE2 GLN 4 -0.907 2.849 -1.174 30 H VAL 5 H VAL 5 -6.272 3.205 0.167 31 HA VAL 5 HA VAL 5 -8.794 2.509 -1.195 32 HB VAL 5 HB VAL 5 -8.329 2.438 1.787 33 HG11 VAL 5 1HG1 VAL 5 -10.550 2.369 1.864 34 HG12 VAL 5 2HG1 VAL 5 -10.665 2.275 0.105 35 HG13 VAL 5 3HG1 VAL 5 -10.468 0.803 1.056 36 HG21 VAL 5 3HG2 VAL 5 -7.026 0.660 1.111 37 HG22 VAL 5 1HG2 VAL 5 -8.600 -0.113 1.298 38 HG23 VAL 5 2HG2 VAL 5 -8.020 0.331 -0.307 39 H VAL 6 H VAL 6 -9.900 4.269 -1.715 40 HA VAL 6 HA VAL 6 -9.575 6.704 -0.117 41 HB VAL 6 HB VAL 6 -10.964 6.395 -2.781 42 HG11 VAL 6 1HG1 VAL 6 -10.393 8.670 -0.968 43 HG12 VAL 6 2HG1 VAL 6 -10.233 8.953 -2.703 44 HG13 VAL 6 3HG1 VAL 6 -11.767 8.389 -2.037 45 HG21 VAL 6 3HG2 VAL 6 -8.794 5.902 -3.365 46 HG22 VAL 6 1HG2 VAL 6 -8.786 7.660 -3.500 47 HG23 VAL 6 2HG2 VAL 6 -8.107 6.882 -2.070 48 H THR 7 H THR 7 -10.911 6.438 1.623 49 HA THR 7 HA THR 7 -13.389 5.244 1.738 50 HB THR 7 HB THR 7 -12.823 7.749 3.303 51 HG1 THR 7 HG1 THR 7 -11.432 6.617 4.588 52 HG21 THR 7 3HG2 THR 7 -13.779 5.502 4.802 53 HG22 THR 7 1HG2 THR 7 -14.806 5.746 3.390 54 HG23 THR 7 2HG2 THR 7 -14.550 7.065 4.533 55 H LEU 8 H LEU 8 -15.331 5.684 0.925 56 HA LEU 8 HA LEU 8 -15.789 8.359 -0.212 57 HB2 LEU 8 1HB LEU 8 -17.069 5.716 -0.893 58 HB3 LEU 8 2HB LEU 8 -17.492 7.264 -1.622 59 HG LEU 8 HG LEU 8 -14.677 6.285 -1.806 60 HD11 LEU 8 1HD1 LEU 8 -15.069 4.724 -3.392 61 HD12 LEU 8 2HD1 LEU 8 -16.516 5.534 -3.992 62 HD13 LEU 8 3HD1 LEU 8 -16.595 4.561 -2.523 63 HD21 LEU 8 3HD2 LEU 8 -15.997 7.498 -4.109 64 HD22 LEU 8 1HD2 LEU 8 -14.469 7.907 -3.329 65 HD23 LEU 8 2HD2 LEU 8 -15.985 8.529 -2.678 66 H ALA 9 H ALA 9 -17.474 5.706 1.459 67 HA ALA 9 HA ALA 9 -19.043 7.696 2.919 68 HB1 ALA 9 1HB ALA 9 -21.054 7.110 2.127 69 HB2 ALA 9 2HB ALA 9 -20.152 6.452 0.762 70 HB3 ALA 9 3HB ALA 9 -20.646 5.394 2.084 71 H ALA 10 H ALA 10 -18.502 7.276 4.961 72 HA ALA 10 HA ALA 10 -17.474 4.926 5.994 73 HB1 ALA 10 1HB ALA 10 -18.680 7.363 7.130 74 HB2 ALA 10 2HB ALA 10 -18.646 5.952 8.188 75 HB3 ALA 10 3HB ALA 10 -17.146 6.574 7.499 76 H GLY 11 H GLY 11 -18.355 3.246 7.267 77 HA2 GLY 11 1HA GLY 11 -21.255 2.830 6.866 78 HA3 GLY 11 2HA GLY 11 -20.080 1.534 6.701 79 H ASP 12 H ASP 12 -20.057 0.198 8.368 80 HA ASP 12 HA ASP 12 -21.191 0.975 10.903 81 HB2 ASP 12 1HB ASP 12 -21.317 -1.338 9.676 82 HB3 ASP 12 2HB ASP 12 -19.768 -1.625 10.464 83 H GLU 13 H GLU 13 -18.001 0.357 9.579 84 HA GLU 13 HA GLU 13 -15.902 0.572 10.440 85 HB2 GLU 13 1HB GLU 13 -17.446 2.751 11.804 86 HB3 GLU 13 2HB GLU 13 -15.754 2.488 12.203 87 HG2 GLU 13 1HG GLU 13 -15.025 3.096 10.094 88 HG3 GLU 13 2HG GLU 13 -16.598 2.801 9.356 89 H ALA 14 H ALA 14 -17.680 -1.378 11.698 90 HA ALA 14 HA ALA 14 -16.215 -1.664 14.223 91 HB1 ALA 14 1HB ALA 14 -18.021 -1.639 15.528 92 HB2 ALA 14 2HB ALA 14 -18.879 -0.939 14.155 93 HB3 ALA 14 3HB ALA 14 -18.926 -2.680 14.430 94 H THR 15 H THR 15 -18.229 -3.191 11.749 95 HA THR 15 HA THR 15 -17.180 -5.820 12.500 96 HB THR 15 HB THR 15 -19.248 -5.289 10.373 97 HG1 THR 15 HG1 THR 15 -20.167 -4.432 12.192 98 HG21 THR 15 3HG2 THR 15 -19.079 -7.700 12.136 99 HG22 THR 15 1HG2 THR 15 -18.003 -7.551 10.747 100 HG23 THR 15 2HG2 THR 15 -19.751 -7.545 10.513 101 H TYR 16 H TYR 16 -15.373 -6.451 11.534 102 HA TYR 16 HA TYR 16 -14.942 -5.682 8.721 103 HB2 TYR 16 1HB TYR 16 -12.892 -6.095 10.905 104 HB3 TYR 16 2HB TYR 16 -12.501 -5.838 9.208 105 HD1 TYR 16 HD1 TYR 16 -14.304 -4.251 12.060 106 HD2 TYR 16 HD2 TYR 16 -12.192 -3.674 8.412 107 HE1 TYR 16 HE1 TYR 16 -14.348 -1.820 12.427 108 HE2 TYR 16 HE2 TYR 16 -12.229 -1.241 8.769 109 HH TYR 16 HH TYR 16 -12.447 0.273 11.110 110 HA PRO 17 HA PRO 17 -14.703 -9.932 7.648 111 HB2 PRO 17 1HB PRO 17 -12.876 -9.866 5.640 112 HB3 PRO 17 2HB PRO 17 -14.522 -9.246 5.462 113 HG2 PRO 17 1HG PRO 17 -11.983 -7.754 6.004 114 HG3 PRO 17 2HG PRO 17 -13.308 -7.343 4.899 115 HD2 PRO 17 1HD PRO 17 -13.038 -6.199 7.338 116 HD3 PRO 17 2HD PRO 17 -14.622 -6.490 6.590 117 H LYS 18 H LYS 18 -13.782 -11.484 8.818 118 HA LYS 18 HA LYS 18 -11.181 -11.191 9.976 119 HB2 LYS 18 1HB LYS 18 -13.325 -12.497 10.813 120 HB3 LYS 18 2HB LYS 18 -12.593 -13.822 9.917 121 HG2 LYS 18 1HG LYS 18 -10.901 -14.072 11.394 122 HG3 LYS 18 2HG LYS 18 -10.827 -12.349 11.770 123 HD2 LYS 18 1HD LYS 18 -13.112 -14.091 12.658 124 HD3 LYS 18 2HD LYS 18 -11.641 -13.905 13.617 125 HE2 LYS 18 1HE LYS 18 -12.005 -11.570 13.870 126 HE3 LYS 18 2HE LYS 18 -13.293 -11.574 12.666 127 HZ1 LYS 18 3HZ LYS 18 -14.734 -12.681 14.116 128 HZ2 LYS 18 1HZ LYS 18 -13.982 -11.516 15.085 129 HZ3 LYS 18 2HZ LYS 18 -13.492 -13.133 15.172 130 H ALA 19 H ALA 19 -9.307 -12.329 9.530 131 HA ALA 19 HA ALA 19 -8.741 -12.897 6.850 132 HB1 ALA 19 1HB ALA 19 -6.806 -12.449 7.931 133 HB2 ALA 19 2HB ALA 19 -7.331 -13.225 9.425 134 HB3 ALA 19 3HB ALA 19 -6.752 -14.206 8.079 135 H GLY 20 H GLY 20 -9.165 -14.606 5.617 136 HA2 GLY 20 1HA GLY 20 -9.318 -16.868 5.051 137 HA3 GLY 20 2HA GLY 20 -9.217 -17.277 6.757 138 H GLN 21 H GLN 21 -11.468 -14.886 6.493 139 HA GLN 21 HA GLN 21 -13.649 -16.852 6.496 140 HB2 GLN 21 1HB GLN 21 -13.041 -14.577 8.125 141 HB3 GLN 21 2HB GLN 21 -14.581 -14.305 7.321 142 HG2 GLN 21 1HG GLN 21 -15.543 -16.221 8.282 143 HG3 GLN 21 2HG GLN 21 -13.976 -16.846 8.794 144 HE21 GLN 21 2HE2 GLN 21 -15.396 -13.623 9.120 145 HE22 GLN 21 1HE2 GLN 21 -15.319 -13.571 10.845 146 H VAL 22 H VAL 22 -15.741 -16.124 5.578 147 HA VAL 22 HA VAL 22 -15.314 -15.064 2.927 148 HB VAL 22 HB VAL 22 -17.935 -15.867 4.192 149 HG11 VAL 22 1HG1 VAL 22 -18.558 -14.803 2.270 150 HG12 VAL 22 2HG1 VAL 22 -17.043 -15.171 1.442 151 HG13 VAL 22 3HG1 VAL 22 -18.273 -16.422 1.631 152 HG21 VAL 22 3HG2 VAL 22 -17.195 -17.964 4.208 153 HG22 VAL 22 1HG2 VAL 22 -17.068 -17.878 2.451 154 HG23 VAL 22 2HG2 VAL 22 -15.673 -17.486 3.456 155 H ALA 23 H ALA 23 -16.280 -13.228 2.044 156 HA ALA 23 HA ALA 23 -17.718 -11.415 3.817 157 HB1 ALA 23 1HB ALA 23 -15.664 -10.514 4.310 158 HB2 ALA 23 2HB ALA 23 -14.992 -10.900 2.725 159 HB3 ALA 23 3HB ALA 23 -16.120 -9.556 2.901 160 H VAL 24 H VAL 24 -19.297 -10.373 2.771 161 HA VAL 24 HA VAL 24 -19.371 -10.581 -0.155 162 HB VAL 24 HB VAL 24 -21.661 -9.811 1.648 163 HG11 VAL 24 1HG1 VAL 24 -22.243 -9.213 -0.511 164 HG12 VAL 24 2HG1 VAL 24 -21.375 -10.571 -1.231 165 HG13 VAL 24 3HG1 VAL 24 -22.897 -10.846 -0.383 166 HG21 VAL 24 3HG2 VAL 24 -22.069 -12.423 0.767 167 HG22 VAL 24 1HG2 VAL 24 -20.395 -12.383 1.322 168 HG23 VAL 24 2HG2 VAL 24 -21.697 -11.902 2.410 169 H VAL 25 H VAL 25 -19.091 -8.843 -1.385 170 HA VAL 25 HA VAL 25 -19.805 -6.200 -0.383 171 HB VAL 25 HB VAL 25 -17.721 -5.182 -0.706 172 HG11 VAL 25 1HG1 VAL 25 -16.969 -7.867 0.434 173 HG12 VAL 25 2HG1 VAL 25 -16.251 -6.296 0.799 174 HG13 VAL 25 3HG1 VAL 25 -17.898 -6.657 1.318 175 HG21 VAL 25 3HG2 VAL 25 -17.117 -7.594 -2.342 176 HG22 VAL 25 1HG2 VAL 25 -16.844 -5.888 -2.698 177 HG23 VAL 25 2HG2 VAL 25 -15.777 -6.737 -1.580 178 H HIS 26 H HIS 26 -19.233 -4.529 -2.222 179 HA HIS 26 HA HIS 26 -20.058 -5.732 -4.783 180 HB2 HIS 26 1HB HIS 26 -21.231 -3.578 -3.231 181 HB3 HIS 26 2HB HIS 26 -20.816 -3.046 -4.858 182 HD1 HIS 26 HD1 HIS 26 -21.709 -4.945 -6.757 183 HD2 HIS 26 HD2 HIS 26 -23.716 -4.609 -3.135 184 HE1 HIS 26 HE1 HIS 26 -23.981 -5.949 -7.151 185 H TYR 27 H TYR 27 -18.610 -5.536 -6.347 186 HA TYR 27 HA TYR 27 -16.537 -3.472 -6.106 187 HB2 TYR 27 1HB TYR 27 -15.221 -4.839 -7.642 188 HB3 TYR 27 2HB TYR 27 -15.760 -5.805 -6.273 189 HD1 TYR 27 HD2 TYR 27 -16.320 -5.118 -9.859 190 HD2 TYR 27 HD1 TYR 27 -17.179 -7.692 -6.582 191 HE1 TYR 27 HE2 TYR 27 -17.295 -6.757 -11.410 192 HE2 TYR 27 HE1 TYR 27 -18.156 -9.339 -8.124 193 HH TYR 27 HH TYR 27 -17.649 -9.681 -11.012 194 H THR 28 H THR 28 -16.188 -1.968 -7.669 195 HA THR 28 HA THR 28 -17.875 -2.062 -10.075 196 HB THR 28 HB THR 28 -17.505 0.345 -8.282 197 HG1 THR 28 HG1 THR 28 -19.952 0.089 -8.464 198 HG21 THR 28 3HG2 THR 28 -19.423 0.878 -10.253 199 HG22 THR 28 1HG2 THR 28 -18.055 0.165 -11.106 200 HG23 THR 28 2HG2 THR 28 -17.819 1.596 -10.102 201 H GLY 29 H GLY 29 -16.739 -1.777 -11.880 202 HA2 GLY 29 1HA GLY 29 -13.953 -1.311 -11.854 203 HA3 GLY 29 2HA GLY 29 -14.978 -1.325 -13.281 204 H THR 30 H THR 30 -12.719 0.450 -12.325 205 HA THR 30 HA THR 30 -13.788 2.894 -13.326 206 HB THR 30 HB THR 30 -12.721 3.685 -10.783 207 HG1 THR 30 HG1 THR 30 -15.128 2.255 -10.453 208 HG21 THR 30 3HG2 THR 30 -15.084 4.156 -12.471 209 HG22 THR 30 1HG2 THR 30 -14.074 5.301 -11.589 210 HG23 THR 30 2HG2 THR 30 -15.338 4.407 -10.745 211 H LEU 31 H LEU 31 -12.195 4.275 -14.013 212 HA LEU 31 HA LEU 31 -9.458 3.263 -13.764 213 HB2 LEU 31 1HB LEU 31 -10.852 5.041 -15.728 214 HB3 LEU 31 2HB LEU 31 -9.094 5.037 -15.615 215 HG LEU 31 HG LEU 31 -10.836 2.672 -16.308 216 HD11 LEU 31 1HD1 LEU 31 -8.828 3.975 -18.101 217 HD12 LEU 31 2HD1 LEU 31 -10.474 4.599 -17.990 218 HD13 LEU 31 3HD1 LEU 31 -10.195 2.940 -18.517 219 HD21 LEU 31 3HD2 LEU 31 -9.031 1.672 -15.296 220 HD22 LEU 31 1HD2 LEU 31 -7.922 2.967 -15.746 221 HD23 LEU 31 2HD2 LEU 31 -8.456 1.804 -16.959 222 H ALA 32 H ALA 32 -7.695 4.830 -13.535 223 HA ALA 32 HA ALA 32 -7.992 6.452 -11.280 224 HB1 ALA 32 1HB ALA 32 -5.868 6.021 -13.300 225 HB2 ALA 32 2HB ALA 32 -5.753 7.469 -12.298 226 HB3 ALA 32 3HB ALA 32 -5.811 5.876 -11.543 227 H ASP 33 H ASP 33 -8.643 7.093 -14.595 228 HA ASP 33 HA ASP 33 -8.521 9.973 -14.319 229 HB2 ASP 33 1HB ASP 33 -9.465 8.200 -16.580 230 HB3 ASP 33 2HB ASP 33 -9.414 9.959 -16.657 231 H GLY 34 H GLY 34 -10.769 7.519 -13.678 232 HA2 GLY 34 1HA GLY 34 -12.745 8.157 -12.407 233 HA3 GLY 34 2HA GLY 34 -12.912 9.538 -13.480 234 H LYS 35 H LYS 35 -12.107 7.499 -15.690 235 HA LYS 35 HA LYS 35 -14.598 7.130 -16.814 236 HB2 LYS 35 1HB LYS 35 -11.908 6.266 -17.352 237 HB3 LYS 35 2HB LYS 35 -13.024 4.943 -17.662 238 HG2 LYS 35 1HG LYS 35 -13.164 7.705 -18.854 239 HG3 LYS 35 2HG LYS 35 -12.642 6.232 -19.675 240 HD2 LYS 35 1HD LYS 35 -14.916 5.278 -19.194 241 HD3 LYS 35 2HD LYS 35 -15.394 6.881 -18.630 242 HE2 LYS 35 1HE LYS 35 -14.532 7.688 -20.929 243 HE3 LYS 35 2HE LYS 35 -14.651 5.992 -21.394 244 HZ1 LYS 35 3HZ LYS 35 -16.660 7.224 -21.949 245 HZ2 LYS 35 1HZ LYS 35 -16.879 7.638 -20.323 246 HZ3 LYS 35 2HZ LYS 35 -16.986 6.020 -20.806 247 H VAL 36 H VAL 36 -16.289 5.961 -16.216 248 HA VAL 36 HA VAL 36 -16.104 3.964 -14.176 249 HB VAL 36 HB VAL 36 -18.076 5.502 -14.532 250 HG11 VAL 36 1HG1 VAL 36 -18.727 3.540 -16.729 251 HG12 VAL 36 2HG1 VAL 36 -19.761 4.851 -16.156 252 HG13 VAL 36 3HG1 VAL 36 -18.238 5.218 -16.967 253 HG21 VAL 36 3HG2 VAL 36 -17.940 2.891 -13.567 254 HG22 VAL 36 1HG2 VAL 36 -19.185 4.090 -13.218 255 HG23 VAL 36 2HG2 VAL 36 -19.411 2.943 -14.538 256 H PHE 37 H PHE 37 -16.446 1.756 -14.332 257 HA PHE 37 HA PHE 37 -16.473 0.619 -17.045 258 HB2 PHE 37 1HB PHE 37 -14.515 0.187 -14.854 259 HB3 PHE 37 2HB PHE 37 -15.002 -1.232 -15.775 260 HD1 PHE 37 HD1 PHE 37 -13.888 2.282 -16.346 261 HD2 PHE 37 HD2 PHE 37 -13.788 -1.770 -17.646 262 HE1 PHE 37 HE1 PHE 37 -12.293 2.893 -18.117 263 HE2 PHE 37 HE2 PHE 37 -12.192 -1.165 -19.418 264 HZ PHE 37 HZ PHE 37 -11.442 1.169 -19.655 265 H ASP 38 H ASP 38 -16.614 -1.991 -16.595 266 HA ASP 38 HA ASP 38 -19.256 -2.460 -15.865 267 HB2 ASP 38 1HB ASP 38 -17.477 -3.928 -17.165 268 HB3 ASP 38 2HB ASP 38 -17.258 -4.662 -15.579 269 H SER 39 H SER 39 -20.274 -2.755 -13.989 270 HA SER 39 HA SER 39 -18.645 -3.244 -11.582 271 HB2 SER 39 1HB SER 39 -19.918 -1.705 -10.328 272 HB3 SER 39 2HB SER 39 -19.627 -0.881 -11.860 273 HG SER 39 HG SER 39 -21.704 -0.759 -12.052 274 H SER 40 H SER 40 -19.593 -4.495 -9.935 275 HA SER 40 HA SER 40 -21.267 -6.593 -10.866 276 HB2 SER 40 1HB SER 40 -19.493 -6.302 -8.785 277 HB3 SER 40 2HB SER 40 -21.047 -6.328 -7.951 278 HG SER 40 HG SER 40 -21.454 -8.325 -8.752 279 H ARG 41 H ARG 41 -21.887 -3.538 -9.452 280 HA ARG 41 HA ARG 41 -24.428 -4.170 -8.296 281 HB2 ARG 41 1HB ARG 41 -23.397 -1.454 -9.122 282 HB3 ARG 41 2HB ARG 41 -24.671 -1.797 -7.960 283 HG2 ARG 41 1HG ARG 41 -23.144 -2.634 -6.375 284 HG3 ARG 41 2HG ARG 41 -21.846 -2.731 -7.567 285 HD2 ARG 41 1HD ARG 41 -21.392 -0.825 -6.239 286 HD3 ARG 41 2HD ARG 41 -22.012 -0.224 -7.777 287 HE ARG 41 HE ARG 41 -24.130 -0.509 -5.939 288 HH11 ARG 41 1HH1 ARG 41 -21.353 1.486 -6.592 289 HH12 ARG 41 2HH1 ARG 41 -22.026 2.896 -5.844 290 HH21 ARG 41 1HH2 ARG 41 -25.028 1.341 -4.950 291 HH22 ARG 41 2HH2 ARG 41 -24.116 2.812 -4.909 292 H THR 42 H THR 42 -23.295 -3.309 -11.448 293 HA THR 42 HA THR 42 -25.545 -2.187 -12.612 294 HB THR 42 HB THR 42 -23.578 -4.094 -13.894 295 HG1 THR 42 HG1 THR 42 -23.613 -1.286 -13.491 296 HG21 THR 42 3HG2 THR 42 -24.926 -3.979 -15.673 297 HG22 THR 42 1HG2 THR 42 -24.476 -2.279 -15.793 298 HG23 THR 42 2HG2 THR 42 -25.935 -2.745 -14.918 299 H ARG 43 H ARG 43 -24.781 -5.586 -12.037 300 HA ARG 43 HA ARG 43 -27.320 -6.401 -13.231 301 HB2 ARG 43 1HB ARG 43 -25.080 -7.602 -13.624 302 HB3 ARG 43 2HB ARG 43 -25.278 -8.235 -11.996 303 HG2 ARG 43 1HG ARG 43 -26.451 -9.894 -12.874 304 HG3 ARG 43 2HG ARG 43 -27.715 -8.720 -13.250 305 HD2 ARG 43 1HD ARG 43 -27.097 -8.553 -15.449 306 HD3 ARG 43 2HD ARG 43 -25.414 -8.963 -15.118 307 HE ARG 43 HE ARG 43 -26.987 -11.212 -14.585 308 HH11 ARG 43 1HH1 ARG 43 -25.992 -9.254 -17.287 309 HH12 ARG 43 2HH1 ARG 43 -26.087 -10.552 -18.430 310 HH21 ARG 43 1HH2 ARG 43 -27.116 -12.929 -16.081 311 HH22 ARG 43 2HH2 ARG 43 -26.727 -12.642 -17.744 312 H GLY 44 H GLY 44 -26.666 -5.062 -10.460 313 HA2 GLY 44 1HA GLY 44 -27.502 -5.157 -8.322 314 HA3 GLY 44 2HA GLY 44 -28.895 -5.918 -9.075 315 H LYS 45 H LYS 45 -25.616 -7.213 -8.936 316 HA LYS 45 HA LYS 45 -26.510 -9.228 -6.999 317 HB2 LYS 45 1HB LYS 45 -25.619 -9.671 -9.788 318 HB3 LYS 45 2HB LYS 45 -24.948 -10.760 -8.581 319 HG2 LYS 45 1HG LYS 45 -27.897 -10.266 -8.762 320 HG3 LYS 45 2HG LYS 45 -27.094 -11.457 -9.788 321 HD2 LYS 45 1HD LYS 45 -26.348 -12.697 -7.886 322 HD3 LYS 45 2HD LYS 45 -26.876 -11.425 -6.781 323 HE2 LYS 45 1HE LYS 45 -29.150 -11.895 -7.163 324 HE3 LYS 45 2HE LYS 45 -28.795 -12.856 -8.597 325 HZ1 LYS 45 3HZ LYS 45 -27.517 -14.330 -6.919 326 HZ2 LYS 45 1HZ LYS 45 -29.201 -14.459 -7.023 327 HZ3 LYS 45 2HZ LYS 45 -28.497 -13.578 -5.762 328 HA PRO 46 HA PRO 46 -22.571 -7.737 -5.402 329 HB2 PRO 46 1HB PRO 46 -22.908 -8.821 -2.936 330 HB3 PRO 46 2HB PRO 46 -23.668 -7.303 -3.430 331 HG2 PRO 46 1HG PRO 46 -24.835 -10.057 -3.321 332 HG3 PRO 46 2HG PRO 46 -25.552 -8.517 -2.813 333 HD2 PRO 46 1HD PRO 46 -26.161 -9.701 -5.172 334 HD3 PRO 46 2HD PRO 46 -26.140 -7.938 -4.965 335 H PHE 47 H PHE 47 -20.653 -8.777 -4.571 336 HA PHE 47 HA PHE 47 -20.577 -11.680 -5.064 337 HB2 PHE 47 1HB PHE 47 -19.502 -10.207 -6.861 338 HB3 PHE 47 2HB PHE 47 -18.276 -9.825 -5.657 339 HD1 PHE 47 HD1 PHE 47 -19.885 -12.681 -7.404 340 HD2 PHE 47 HD2 PHE 47 -16.442 -11.217 -5.375 341 HE1 PHE 47 HE1 PHE 47 -18.661 -14.726 -8.014 342 HE2 PHE 47 HE2 PHE 47 -15.211 -13.260 -5.982 343 HZ PHE 47 HZ PHE 47 -16.321 -15.017 -7.304 344 H ARG 48 H ARG 48 -19.132 -12.897 -3.802 345 HA ARG 48 HA ARG 48 -17.880 -11.499 -1.544 346 HB2 ARG 48 1HB ARG 48 -18.910 -12.764 0.075 347 HB3 ARG 48 2HB ARG 48 -20.210 -12.651 -1.104 348 HG2 ARG 48 1HG ARG 48 -18.330 -14.972 -0.726 349 HG3 ARG 48 2HG ARG 48 -20.036 -14.907 -0.278 350 HD2 ARG 48 1HD ARG 48 -20.184 -14.242 -2.893 351 HD3 ARG 48 2HD ARG 48 -18.776 -15.303 -2.911 352 HE ARG 48 HE ARG 48 -20.591 -16.718 -1.494 353 HH11 ARG 48 1HH1 ARG 48 -20.686 -15.135 -4.594 354 HH12 ARG 48 2HH1 ARG 48 -21.828 -16.246 -5.273 355 HH21 ARG 48 1HH2 ARG 48 -22.096 -18.187 -2.377 356 HH22 ARG 48 2HH2 ARG 48 -22.631 -17.982 -4.010 357 H PHE 49 H PHE 49 -16.376 -12.987 -0.323 358 HA PHE 49 HA PHE 49 -15.388 -15.350 -1.508 359 HB2 PHE 49 1HB PHE 49 -13.232 -14.513 -2.356 360 HB3 PHE 49 2HB PHE 49 -14.588 -13.840 -3.256 361 HD1 PHE 49 HD1 PHE 49 -15.193 -11.494 -3.027 362 HD2 PHE 49 HD2 PHE 49 -11.837 -13.128 -0.980 363 HE1 PHE 49 HE1 PHE 49 -14.358 -9.222 -2.588 364 HE2 PHE 49 HE2 PHE 49 -10.998 -10.858 -0.538 365 HZ PHE 49 HZ PHE 49 -12.259 -8.901 -1.341 366 H THR 50 H THR 50 -13.155 -15.910 -0.572 367 HA THR 50 HA THR 50 -13.269 -15.353 2.270 368 HB THR 50 HB THR 50 -11.441 -17.181 0.701 369 HG1 THR 50 HG1 THR 50 -13.459 -18.028 2.476 370 HG21 THR 50 3HG2 THR 50 -10.217 -16.843 2.620 371 HG22 THR 50 1HG2 THR 50 -11.254 -18.173 3.131 372 HG23 THR 50 2HG2 THR 50 -11.644 -16.519 3.603 373 H VAL 51 H VAL 51 -12.394 -13.472 2.889 374 HA VAL 51 HA VAL 51 -10.308 -12.123 1.560 375 HB VAL 51 HB VAL 51 -11.037 -11.798 4.470 376 HG11 VAL 51 1HG1 VAL 51 -9.685 -10.057 2.430 377 HG12 VAL 51 2HG1 VAL 51 -10.417 -9.390 3.891 378 HG13 VAL 51 3HG1 VAL 51 -9.099 -10.556 4.016 379 HG21 VAL 51 3HG2 VAL 51 -13.113 -11.575 3.472 380 HG22 VAL 51 1HG2 VAL 51 -12.512 -9.917 3.450 381 HG23 VAL 51 2HG2 VAL 51 -12.443 -10.900 1.987 382 H GLY 52 H GLY 52 -8.454 -13.273 1.259 383 HA2 GLY 52 1HA GLY 52 -6.262 -13.331 2.529 384 HA3 GLY 52 2HA GLY 52 -7.134 -14.338 3.675 385 H ARG 53 H ARG 53 -8.556 -15.416 1.117 386 HA ARG 53 HA ARG 53 -6.783 -17.673 0.826 387 HB2 ARG 53 1HB ARG 53 -9.571 -17.016 0.021 388 HB3 ARG 53 2HB ARG 53 -8.725 -18.238 -0.918 389 HG2 ARG 53 1HG ARG 53 -9.004 -18.334 2.075 390 HG3 ARG 53 2HG ARG 53 -10.118 -19.120 0.955 391 HD2 ARG 53 1HD ARG 53 -7.915 -20.149 -0.024 392 HD3 ARG 53 2HD ARG 53 -7.270 -19.760 1.570 393 HE ARG 53 HE ARG 53 -9.094 -21.865 0.916 394 HH11 ARG 53 1HH1 ARG 53 -8.083 -19.679 3.430 395 HH12 ARG 53 2HH1 ARG 53 -8.622 -20.705 4.718 396 HH21 ARG 53 1HH2 ARG 53 -9.807 -23.224 2.603 397 HH22 ARG 53 2HH2 ARG 53 -9.602 -22.721 4.247 398 H GLY 54 H GLY 54 -6.784 -18.572 -1.605 399 HA2 GLY 54 1HA GLY 54 -5.429 -16.469 -3.144 400 HA3 GLY 54 2HA GLY 54 -5.214 -18.200 -3.359 401 H GLU 55 H GLU 55 -8.437 -17.049 -3.008 402 HA GLU 55 HA GLU 55 -9.028 -17.854 -5.728 403 HB2 GLU 55 1HB GLU 55 -10.850 -16.894 -3.515 404 HB3 GLU 55 2HB GLU 55 -11.385 -17.526 -5.065 405 HG2 GLU 55 1HG GLU 55 -9.715 -19.103 -3.128 406 HG3 GLU 55 2HG GLU 55 -11.478 -19.131 -3.143 407 H VAL 56 H VAL 56 -8.670 -14.936 -3.892 408 HA VAL 56 HA VAL 56 -9.631 -13.359 -6.188 409 HB VAL 56 HB VAL 56 -9.702 -11.449 -4.519 410 HG11 VAL 56 1HG1 VAL 56 -11.603 -13.541 -3.601 411 HG12 VAL 56 2HG1 VAL 56 -11.903 -11.869 -4.078 412 HG13 VAL 56 3HG1 VAL 56 -11.613 -13.100 -5.308 413 HG21 VAL 56 3HG2 VAL 56 -8.412 -13.261 -2.879 414 HG22 VAL 56 1HG2 VAL 56 -9.140 -11.735 -2.379 415 HG23 VAL 56 2HG2 VAL 56 -10.061 -13.234 -2.255 416 H ILE 57 H ILE 57 -8.491 -11.021 -5.978 417 HA ILE 57 HA ILE 57 -5.654 -11.590 -6.358 418 HB ILE 57 HB ILE 57 -5.569 -9.284 -7.315 419 HG12 ILE 57 1HG1 ILE 57 -8.533 -9.230 -7.506 420 HG13 ILE 57 2HG1 ILE 57 -7.832 -8.793 -5.951 421 HG21 ILE 57 1HG2 ILE 57 -5.973 -11.382 -8.643 422 HG22 ILE 57 2HG2 ILE 57 -7.688 -10.973 -8.621 423 HG23 ILE 57 3HG2 ILE 57 -6.533 -9.889 -9.397 424 HD11 ILE 57 3HD1 ILE 57 -8.098 -6.780 -7.108 425 HD12 ILE 57 1HD1 ILE 57 -6.381 -7.161 -7.241 426 HD13 ILE 57 2HD1 ILE 57 -7.458 -7.456 -8.606 427 H ARG 58 H ARG 58 -4.026 -10.122 -5.519 428 HA ARG 58 HA ARG 58 -4.091 -9.792 -2.786 429 HB2 ARG 58 1HB ARG 58 -2.493 -8.174 -4.779 430 HB3 ARG 58 2HB ARG 58 -2.150 -8.298 -3.059 431 HG2 ARG 58 1HG ARG 58 -2.260 -10.743 -4.780 432 HG3 ARG 58 2HG ARG 58 -0.805 -9.747 -4.698 433 HD2 ARG 58 1HD ARG 58 -2.165 -10.763 -2.222 434 HD3 ARG 58 2HD ARG 58 -0.989 -11.743 -3.099 435 HE ARG 58 HE ARG 58 0.285 -9.370 -2.707 436 HH11 ARG 58 1HH1 ARG 58 -1.295 -11.667 -0.622 437 HH12 ARG 58 2HH1 ARG 58 -0.283 -11.322 0.741 438 HH21 ARG 58 1HH2 ARG 58 1.624 -8.907 -0.920 439 HH22 ARG 58 2HH2 ARG 58 1.377 -9.752 0.571 440 H GLY 59 H GLY 59 -4.818 -7.378 -5.288 441 HA2 GLY 59 1HA GLY 59 -5.169 -5.127 -3.749 442 HA3 GLY 59 2HA GLY 59 -6.109 -5.478 -5.192 443 H TRP 60 H TRP 60 -7.837 -7.301 -4.692 444 HA TRP 60 HA TRP 60 -9.775 -6.155 -3.064 445 HB2 TRP 60 1HB TRP 60 -9.456 -8.938 -4.172 446 HB3 TRP 60 2HB TRP 60 -10.848 -8.492 -3.189 447 HD1 TRP 60 HD1 TRP 60 -10.719 -5.430 -4.704 448 HE1 TRP 60 HE1 TRP 60 -11.926 -5.287 -6.972 449 HE3 TRP 60 HE3 TRP 60 -10.959 -10.415 -5.811 450 HZ2 TRP 60 HZ2 TRP 60 -12.858 -7.054 -8.967 451 HZ3 TRP 60 HZ3 TRP 60 -12.026 -11.105 -7.918 452 HH2 TRP 60 HH2 TRP 60 -12.955 -9.458 -9.462 453 H ASP 61 H ASP 61 -7.518 -8.794 -2.365 454 HA ASP 61 HA ASP 61 -8.439 -9.639 0.082 455 HB2 ASP 61 1HB ASP 61 -6.261 -10.219 -1.402 456 HB3 ASP 61 2HB ASP 61 -5.503 -9.286 -0.114 457 H GLU 62 H GLU 62 -5.854 -7.209 -0.321 458 HA GLU 62 HA GLU 62 -5.924 -6.359 2.366 459 HB2 GLU 62 1HB GLU 62 -4.753 -5.258 -0.159 460 HB3 GLU 62 2HB GLU 62 -4.778 -4.257 1.286 461 HG2 GLU 62 1HG GLU 62 -3.673 -6.274 2.439 462 HG3 GLU 62 2HG GLU 62 -3.326 -6.824 0.801 463 H GLY 63 H GLY 63 -7.375 -5.006 -0.580 464 HA2 GLY 63 1HA GLY 63 -8.446 -2.671 0.424 465 HA3 GLY 63 2HA GLY 63 -9.189 -3.622 -0.853 466 H VAL 64 H VAL 64 -10.298 -5.703 0.095 467 HA VAL 64 HA VAL 64 -12.474 -4.826 1.643 468 HB VAL 64 HB VAL 64 -12.487 -6.772 0.051 469 HG11 VAL 64 1HG1 VAL 64 -11.495 -8.771 0.510 470 HG12 VAL 64 2HG1 VAL 64 -10.360 -7.702 1.337 471 HG13 VAL 64 3HG1 VAL 64 -11.603 -8.551 2.256 472 HG21 VAL 64 3HG2 VAL 64 -14.046 -8.128 1.439 473 HG22 VAL 64 1HG2 VAL 64 -13.555 -7.177 2.841 474 HG23 VAL 64 2HG2 VAL 64 -14.375 -6.396 1.489 475 H ALA 65 H ALA 65 -9.470 -6.412 2.503 476 HA ALA 65 HA ALA 65 -10.096 -7.292 5.073 477 HB1 ALA 65 1HB ALA 65 -7.543 -6.774 5.435 478 HB2 ALA 65 2HB ALA 65 -8.065 -8.080 4.370 479 HB3 ALA 65 3HB ALA 65 -7.575 -6.529 3.688 480 H GLN 66 H GLN 66 -9.051 -4.116 3.935 481 HA GLN 66 HA GLN 66 -9.200 -3.061 6.658 482 HB2 GLN 66 1HB GLN 66 -8.252 -1.792 4.083 483 HB3 GLN 66 2HB GLN 66 -8.255 -0.993 5.650 484 HG2 GLN 66 1HG GLN 66 -6.566 -2.353 6.487 485 HG3 GLN 66 2HG GLN 66 -6.810 -3.580 5.245 486 HE21 GLN 66 2HE2 GLN 66 -6.439 -2.734 2.964 487 HE22 GLN 66 1HE2 GLN 66 -5.036 -1.752 2.737 488 H MET 67 H MET 67 -11.554 -3.874 4.996 489 HA MET 67 HA MET 67 -12.930 -1.273 4.872 490 HB2 MET 67 1HB MET 67 -13.345 -3.838 3.359 491 HB3 MET 67 2HB MET 67 -14.622 -2.634 3.475 492 HG2 MET 67 1HG MET 67 -11.930 -1.752 2.584 493 HG3 MET 67 2HG MET 67 -12.932 -2.672 1.462 494 HE1 MET 67 3HE MET 67 -15.863 -1.812 1.923 495 HE2 MET 67 1HE MET 67 -15.976 -0.426 0.837 496 HE3 MET 67 2HE MET 67 -15.061 -1.854 0.352 497 H SER 68 H SER 68 -15.150 -1.202 5.597 498 HA SER 68 HA SER 68 -15.741 -3.223 7.660 499 HB2 SER 68 1HB SER 68 -16.947 -1.299 8.839 500 HB3 SER 68 2HB SER 68 -15.185 -1.246 8.845 501 HG SER 68 HG SER 68 -16.725 0.655 8.076 502 H VAL 69 H VAL 69 -17.918 -3.777 7.994 503 HA VAL 69 HA VAL 69 -19.498 -4.086 5.746 504 HB VAL 69 HB VAL 69 -20.411 -3.998 8.626 505 HG11 VAL 69 1HG1 VAL 69 -21.770 -4.829 6.092 506 HG12 VAL 69 2HG1 VAL 69 -22.196 -5.587 7.628 507 HG13 VAL 69 3HG1 VAL 69 -22.386 -3.846 7.420 508 HG21 VAL 69 3HG2 VAL 69 -18.595 -5.639 8.038 509 HG22 VAL 69 1HG2 VAL 69 -20.078 -6.352 8.674 510 HG23 VAL 69 2HG2 VAL 69 -19.745 -6.407 6.943 511 H GLY 70 H GLY 70 -20.747 -2.764 4.599 512 HA2 GLY 70 1HA GLY 70 -22.299 -1.083 4.175 513 HA3 GLY 70 2HA GLY 70 -22.216 -0.617 5.868 514 H GLN 71 H GLN 71 -19.162 -0.926 4.446 515 HA GLN 71 HA GLN 71 -18.958 1.999 4.246 516 HB2 GLN 71 1HB GLN 71 -17.490 0.542 5.839 517 HB3 GLN 71 2HB GLN 71 -16.589 0.166 4.377 518 HG2 GLN 71 1HG GLN 71 -16.778 2.884 4.243 519 HG3 GLN 71 2HG GLN 71 -16.644 2.604 5.978 520 HE21 GLN 71 2HE2 GLN 71 -15.062 2.415 2.913 521 HE22 GLN 71 1HE2 GLN 71 -13.485 2.043 3.511 522 H ARG 72 H ARG 72 -18.268 2.980 2.412 523 HA ARG 72 HA ARG 72 -17.609 1.237 0.129 524 HB2 ARG 72 1HB ARG 72 -19.895 2.361 0.079 525 HB3 ARG 72 2HB ARG 72 -19.033 3.884 -0.094 526 HG2 ARG 72 1HG ARG 72 -18.170 3.278 -2.196 527 HG3 ARG 72 2HG ARG 72 -18.614 1.584 -1.976 528 HD2 ARG 72 1HD ARG 72 -20.092 2.924 -3.523 529 HD3 ARG 72 2HD ARG 72 -20.916 2.057 -2.228 530 HE ARG 72 HE ARG 72 -21.595 4.064 -1.372 531 HH11 ARG 72 1HH1 ARG 72 -18.972 4.611 -3.595 532 HH12 ARG 72 2HH1 ARG 72 -19.116 6.337 -3.544 533 HH21 ARG 72 1HH2 ARG 72 -21.795 6.335 -1.296 534 HH22 ARG 72 2HH2 ARG 72 -20.721 7.317 -2.236 535 H ALA 73 H ALA 73 -15.855 1.755 -1.064 536 HA ALA 73 HA ALA 73 -14.687 4.381 -1.022 537 HB1 ALA 73 1HB ALA 73 -13.892 3.417 1.122 538 HB2 ALA 73 2HB ALA 73 -13.095 2.136 0.208 539 HB3 ALA 73 3HB ALA 73 -12.589 3.813 0.001 540 H LYS 74 H LYS 74 -12.630 4.430 -2.321 541 HA LYS 74 HA LYS 74 -12.951 2.665 -4.624 542 HB2 LYS 74 1HB LYS 74 -11.033 4.973 -4.468 543 HB3 LYS 74 2HB LYS 74 -11.800 4.275 -5.888 544 HG2 LYS 74 1HG LYS 74 -13.983 5.139 -5.033 545 HG3 LYS 74 2HG LYS 74 -13.083 5.985 -3.771 546 HD2 LYS 74 1HD LYS 74 -13.367 7.592 -5.446 547 HD3 LYS 74 2HD LYS 74 -11.723 7.001 -5.695 548 HE2 LYS 74 1HE LYS 74 -12.525 6.954 -7.844 549 HE3 LYS 74 2HE LYS 74 -12.908 5.316 -7.316 550 HZ1 LYS 74 3HZ LYS 74 -14.666 7.089 -8.381 551 HZ2 LYS 74 1HZ LYS 74 -14.988 7.199 -6.724 552 HZ3 LYS 74 2HZ LYS 74 -15.079 5.702 -7.505 553 H LEU 75 H LEU 75 -11.588 1.063 -5.094 554 HA LEU 75 HA LEU 75 -9.178 0.775 -3.446 555 HB2 LEU 75 1HB LEU 75 -10.992 -1.025 -3.607 556 HB3 LEU 75 2HB LEU 75 -10.365 -1.332 -5.225 557 HG LEU 75 HG LEU 75 -8.197 -1.935 -4.282 558 HD11 LEU 75 1HD1 LEU 75 -8.139 -0.526 -2.338 559 HD12 LEU 75 2HD1 LEU 75 -7.983 -2.207 -1.828 560 HD13 LEU 75 3HD1 LEU 75 -9.521 -1.367 -1.635 561 HD21 LEU 75 3HD2 LEU 75 -10.087 -3.526 -2.639 562 HD22 LEU 75 1HD2 LEU 75 -8.808 -4.056 -3.732 563 HD23 LEU 75 2HD2 LEU 75 -10.347 -3.490 -4.383 564 H VAL 76 H VAL 76 -7.684 2.017 -4.520 565 HA VAL 76 HA VAL 76 -7.212 1.466 -7.360 566 HB VAL 76 HB VAL 76 -7.354 3.804 -6.901 567 HG11 VAL 76 1HG1 VAL 76 -5.172 4.392 -5.238 568 HG12 VAL 76 2HG1 VAL 76 -6.889 4.568 -4.868 569 HG13 VAL 76 3HG1 VAL 76 -6.045 3.075 -4.454 570 HG21 VAL 76 3HG2 VAL 76 -5.252 2.673 -8.181 571 HG22 VAL 76 1HG2 VAL 76 -5.562 4.409 -8.123 572 HG23 VAL 76 2HG2 VAL 76 -4.416 3.679 -6.998 573 H CYS 77 H CYS 77 -5.994 -0.331 -7.546 574 HA CYS 77 HA CYS 77 -3.425 -0.360 -6.108 575 HB2 CYS 77 1HB CYS 77 -3.548 -2.753 -5.875 576 HB3 CYS 77 2HB CYS 77 -5.028 -2.061 -5.223 577 HG CYS 77 HG CYS 77 -4.907 -3.276 -8.408 578 H SER 78 H SER 78 -1.746 -1.675 -7.206 579 HA SER 78 HA SER 78 -1.675 -0.993 -10.004 580 HB2 SER 78 1HB SER 78 0.243 -1.661 -7.944 581 HB3 SER 78 2HB SER 78 0.562 -2.584 -9.413 582 HG SER 78 HG SER 78 1.472 -0.806 -10.063 583 HA PRO 79 HA PRO 79 -2.676 -4.834 -11.869 584 HB2 PRO 79 1HB PRO 79 -0.743 -5.167 -13.746 585 HB3 PRO 79 2HB PRO 79 -2.020 -3.953 -13.887 586 HG2 PRO 79 1HG PRO 79 0.812 -3.626 -12.973 587 HG3 PRO 79 2HG PRO 79 -0.144 -2.589 -14.047 588 HD2 PRO 79 1HD PRO 79 0.256 -2.003 -11.434 589 HD3 PRO 79 2HD PRO 79 -1.233 -1.562 -12.294 590 H ASP 80 H ASP 80 0.568 -4.514 -10.605 591 HA ASP 80 HA ASP 80 1.410 -7.183 -10.865 592 HB2 ASP 80 1HB ASP 80 2.207 -4.875 -9.145 593 HB3 ASP 80 2HB ASP 80 2.809 -6.478 -8.732 594 H TYR 81 H TYR 81 -0.773 -5.651 -8.663 595 HA TYR 81 HA TYR 81 -0.863 -8.086 -7.013 596 HB2 TYR 81 1HB TYR 81 -1.304 -5.209 -6.434 597 HB3 TYR 81 2HB TYR 81 -2.341 -6.352 -5.587 598 HD1 TYR 81 HD2 TYR 81 1.177 -6.959 -6.560 599 HD2 TYR 81 HD1 TYR 81 -1.511 -6.061 -3.387 600 HE1 TYR 81 HE2 TYR 81 2.972 -7.373 -4.931 601 HE2 TYR 81 HE1 TYR 81 0.277 -6.471 -1.749 602 HH TYR 81 HH TYR 81 2.840 -6.405 -1.766 603 H ALA 82 H ALA 82 -2.215 -7.272 -9.678 604 HA ALA 82 HA ALA 82 -4.767 -8.485 -9.022 605 HB1 ALA 82 1HB ALA 82 -4.731 -5.825 -10.436 606 HB2 ALA 82 2HB ALA 82 -6.142 -6.763 -9.945 607 HB3 ALA 82 3HB ALA 82 -5.104 -6.029 -8.724 608 H TYR 83 H TYR 83 -6.082 -8.044 -11.409 609 HA TYR 83 HA TYR 83 -4.454 -9.652 -13.215 610 HB2 TYR 83 1HB TYR 83 -6.687 -9.767 -14.495 611 HB3 TYR 83 2HB TYR 83 -6.586 -10.593 -12.944 612 HD1 TYR 83 HD2 TYR 83 -7.404 -7.145 -14.154 613 HD2 TYR 83 HD1 TYR 83 -8.453 -10.397 -11.619 614 HE1 TYR 83 HE2 TYR 83 -9.365 -5.888 -13.364 615 HE2 TYR 83 HE1 TYR 83 -10.418 -9.150 -10.822 616 HH TYR 83 HH TYR 83 -11.013 -6.558 -10.664 617 H GLY 84 H GLY 84 -4.322 -6.604 -12.745 618 HA2 GLY 84 1HA GLY 84 -5.132 -5.370 -15.173 619 HA3 GLY 84 2HA GLY 84 -4.006 -4.703 -14.000 620 H SER 85 H SER 85 -2.354 -7.229 -14.292 621 HA SER 85 HA SER 85 -0.381 -6.293 -15.954 622 HB2 SER 85 1HB SER 85 -1.102 -9.044 -15.007 623 HB3 SER 85 2HB SER 85 0.203 -8.845 -16.176 624 HG SER 85 HG SER 85 1.426 -8.036 -14.665 625 H ARG 86 H ARG 86 -2.361 -9.108 -16.871 626 HA ARG 86 HA ARG 86 -1.779 -8.813 -19.633 627 HB2 ARG 86 1HB ARG 86 -2.333 -10.983 -18.638 628 HB3 ARG 86 2HB ARG 86 -3.954 -10.410 -18.270 629 HG2 ARG 86 1HG ARG 86 -3.788 -9.946 -20.954 630 HG3 ARG 86 2HG ARG 86 -2.842 -11.424 -20.770 631 HD2 ARG 86 1HD ARG 86 -5.695 -10.947 -19.932 632 HD3 ARG 86 2HD ARG 86 -5.112 -12.047 -21.180 633 HE ARG 86 HE ARG 86 -5.245 -12.549 -18.369 634 HH11 ARG 86 1HH1 ARG 86 -3.515 -13.311 -21.292 635 HH12 ARG 86 2HH1 ARG 86 -2.969 -14.853 -20.722 636 HH21 ARG 86 1HH2 ARG 86 -4.533 -14.578 -17.607 637 HH22 ARG 86 2HH2 ARG 86 -3.550 -15.573 -18.626 638 H GLY 87 H GLY 87 -4.867 -8.436 -17.873 639 HA2 GLY 87 1HA GLY 87 -6.653 -7.042 -18.254 640 HA3 GLY 87 2HA GLY 87 -5.555 -6.018 -19.168 641 H HIS 88 H HIS 88 -7.595 -5.730 -20.437 642 HA HIS 88 HA HIS 88 -7.490 -7.465 -22.750 643 HB2 HIS 88 1HB HIS 88 -9.713 -7.536 -20.811 644 HB3 HIS 88 2HB HIS 88 -10.197 -7.392 -22.498 645 HD1 HIS 88 HD1 HIS 88 -8.157 -9.227 -23.834 646 HD2 HIS 88 HD2 HIS 88 -10.140 -10.168 -20.306 647 HE1 HIS 88 HE1 HIS 88 -8.096 -11.736 -23.677 648 HA PRO 89 HA PRO 89 -8.442 -3.780 -24.928 649 HB2 PRO 89 1HB PRO 89 -9.913 -4.701 -27.015 650 HB3 PRO 89 2HB PRO 89 -8.173 -4.973 -26.872 651 HG2 PRO 89 1HG PRO 89 -10.438 -6.815 -26.211 652 HG3 PRO 89 2HG PRO 89 -8.914 -7.171 -27.043 653 HD2 PRO 89 1HD PRO 89 -9.316 -7.753 -24.430 654 HD3 PRO 89 2HD PRO 89 -7.724 -7.306 -25.074 655 H GLY 90 H GLY 90 -9.777 -2.298 -24.085 656 HA2 GLY 90 1HA GLY 90 -11.766 -1.127 -23.851 657 HA3 GLY 90 2HA GLY 90 -12.611 -2.475 -24.598 658 H VAL 91 H VAL 91 -10.641 -3.551 -22.107 659 HA VAL 91 HA VAL 91 -12.829 -3.372 -20.145 660 HB VAL 91 HB VAL 91 -11.128 -5.830 -20.558 661 HG11 VAL 91 1HG1 VAL 91 -13.723 -5.648 -19.067 662 HG12 VAL 91 2HG1 VAL 91 -12.462 -6.878 -18.956 663 HG13 VAL 91 3HG1 VAL 91 -12.188 -5.270 -18.286 664 HG21 VAL 91 3HG2 VAL 91 -13.604 -4.949 -21.875 665 HG22 VAL 91 1HG2 VAL 91 -12.392 -6.118 -22.398 666 HG23 VAL 91 2HG2 VAL 91 -13.636 -6.595 -21.242 667 H ILE 92 H ILE 92 -9.397 -4.227 -20.563 668 HA ILE 92 HA ILE 92 -8.746 -2.627 -18.215 669 HB ILE 92 HB ILE 92 -7.929 -5.525 -18.462 670 HG12 ILE 92 1HG1 ILE 92 -9.667 -4.120 -16.421 671 HG13 ILE 92 2HG1 ILE 92 -10.241 -5.212 -17.676 672 HG21 ILE 92 1HG2 ILE 92 -6.713 -5.224 -16.410 673 HG22 ILE 92 2HG2 ILE 92 -6.155 -4.031 -17.582 674 HG23 ILE 92 3HG2 ILE 92 -7.253 -3.549 -16.289 675 HD11 ILE 92 3HD1 ILE 92 -10.105 -6.278 -15.474 676 HD12 ILE 92 1HD1 ILE 92 -9.055 -7.052 -16.661 677 HD13 ILE 92 2HD1 ILE 92 -8.368 -5.972 -15.448 678 HA PRO 93 HA PRO 93 -5.416 -1.498 -20.896 679 HB2 PRO 93 1HB PRO 93 -3.942 -0.129 -19.072 680 HB3 PRO 93 2HB PRO 93 -5.424 0.515 -19.789 681 HG2 PRO 93 1HG PRO 93 -5.022 -0.796 -17.129 682 HG3 PRO 93 2HG PRO 93 -5.976 0.642 -17.534 683 HD2 PRO 93 1HD PRO 93 -7.099 -1.795 -17.171 684 HD3 PRO 93 2HD PRO 93 -7.756 -0.601 -18.309 685 HA PRO 94 HA PRO 94 -2.169 -4.406 -20.291 686 HB2 PRO 94 1HB PRO 94 -0.083 -3.109 -21.448 687 HB3 PRO 94 2HB PRO 94 -1.411 -3.813 -22.378 688 HG2 PRO 94 1HG PRO 94 -0.975 -0.968 -21.555 689 HG3 PRO 94 2HG PRO 94 -1.524 -1.610 -23.114 690 HD2 PRO 94 1HD PRO 94 -3.229 -0.573 -21.283 691 HD3 PRO 94 2HD PRO 94 -3.690 -1.894 -22.376 692 H ASN 95 H ASN 95 -1.795 -4.543 -18.098 693 HA ASN 95 HA ASN 95 -0.824 -4.172 -16.066 694 HB2 ASN 95 1HB ASN 95 1.589 -3.110 -17.493 695 HB3 ASN 95 2HB ASN 95 1.503 -4.187 -16.102 696 HD21 ASN 95 2HD2 ASN 95 1.170 -3.953 -19.570 697 HD22 ASN 95 1HD2 ASN 95 1.342 -5.641 -19.895 698 H ALA 96 H ALA 96 -2.474 -2.257 -16.175 699 HA ALA 96 HA ALA 96 -0.969 0.187 -15.514 700 HB1 ALA 96 1HB ALA 96 -3.685 0.609 -16.543 701 HB2 ALA 96 2HB ALA 96 -2.195 1.498 -16.864 702 HB3 ALA 96 3HB ALA 96 -2.528 -0.005 -17.725 703 H THR 97 H THR 97 -1.851 1.490 -13.868 704 HA THR 97 HA THR 97 -2.936 0.169 -11.685 705 HB THR 97 HB THR 97 -3.487 3.089 -12.014 706 HG1 THR 97 HG1 THR 97 -0.888 2.116 -11.413 707 HG21 THR 97 3HG2 THR 97 -2.404 2.953 -9.653 708 HG22 THR 97 1HG2 THR 97 -2.702 1.222 -9.808 709 HG23 THR 97 2HG2 THR 97 -4.048 2.359 -9.883 710 H LEU 98 H LEU 98 -4.963 -0.141 -10.882 711 HA LEU 98 HA LEU 98 -7.224 0.858 -12.478 712 HB2 LEU 98 1HB LEU 98 -7.280 -1.842 -11.189 713 HB3 LEU 98 2HB LEU 98 -8.294 -1.209 -12.484 714 HG LEU 98 HG LEU 98 -5.371 -1.879 -12.803 715 HD11 LEU 98 1HD1 LEU 98 -6.275 -3.969 -12.445 716 HD12 LEU 98 2HD1 LEU 98 -6.452 -3.795 -14.191 717 HD13 LEU 98 3HD1 LEU 98 -7.839 -3.529 -13.134 718 HD21 LEU 98 3HD2 LEU 98 -6.410 -1.994 -15.260 719 HD22 LEU 98 1HD2 LEU 98 -5.751 -0.511 -14.569 720 HD23 LEU 98 2HD2 LEU 98 -7.493 -0.791 -14.557 721 H THR 99 H THR 99 -9.070 1.405 -11.354 722 HA THR 99 HA THR 99 -8.866 1.304 -8.414 723 HB THR 99 HB THR 99 -10.060 3.522 -10.088 724 HG1 THR 99 HG1 THR 99 -8.305 4.720 -9.156 725 HG21 THR 99 3HG2 THR 99 -10.218 4.677 -7.852 726 HG22 THR 99 1HG2 THR 99 -9.901 3.112 -7.106 727 HG23 THR 99 2HG2 THR 99 -11.345 3.342 -8.091 728 H PHE 100 H PHE 100 -10.226 -0.322 -7.899 729 HA PHE 100 HA PHE 100 -12.893 -0.359 -9.128 730 HB2 PHE 100 1HB PHE 100 -11.267 -2.461 -7.711 731 HB3 PHE 100 2HB PHE 100 -12.996 -2.658 -7.979 732 HD1 PHE 100 HD1 PHE 100 -9.824 -1.962 -9.791 733 HD2 PHE 100 HD2 PHE 100 -13.758 -3.579 -9.958 734 HE1 PHE 100 HE1 PHE 100 -9.370 -2.825 -12.050 735 HE2 PHE 100 HE2 PHE 100 -13.309 -4.446 -12.217 736 HZ PHE 100 HZ PHE 100 -11.113 -4.070 -13.265 737 H ASP 101 H ASP 101 -14.500 0.514 -8.020 738 HA ASP 101 HA ASP 101 -14.231 1.305 -5.296 739 HB2 ASP 101 1HB ASP 101 -16.257 1.568 -7.424 740 HB3 ASP 101 2HB ASP 101 -16.898 1.547 -5.784 741 H VAL 102 H VAL 102 -14.454 0.050 -3.577 742 HA VAL 102 HA VAL 102 -16.063 -2.400 -3.804 743 HB VAL 102 HB VAL 102 -13.974 -1.699 -1.736 744 HG11 VAL 102 1HG1 VAL 102 -15.373 -4.315 -2.280 745 HG12 VAL 102 2HG1 VAL 102 -14.146 -4.017 -1.047 746 HG13 VAL 102 3HG1 VAL 102 -15.722 -3.234 -0.932 747 HG21 VAL 102 3HG2 VAL 102 -12.570 -3.349 -2.885 748 HG22 VAL 102 1HG2 VAL 102 -13.815 -3.542 -4.119 749 HG23 VAL 102 2HG2 VAL 102 -12.982 -1.998 -3.941 750 H GLU 103 H GLU 103 -17.761 -2.790 -2.473 751 HA GLU 103 HA GLU 103 -18.327 -0.844 -0.345 752 HB2 GLU 103 1HB GLU 103 -19.750 -0.064 -2.036 753 HB3 GLU 103 2HB GLU 103 -20.123 -1.687 -2.599 754 HG2 GLU 103 1HG GLU 103 -22.023 -0.689 -1.467 755 HG3 GLU 103 2HG GLU 103 -21.432 -2.101 -0.593 756 H LEU 104 H LEU 104 -18.134 -2.058 1.434 757 HA LEU 104 HA LEU 104 -18.643 -4.828 1.574 758 HB2 LEU 104 1HB LEU 104 -17.333 -3.128 3.144 759 HB3 LEU 104 2HB LEU 104 -18.860 -3.168 4.024 760 HG LEU 104 HG LEU 104 -17.500 -4.755 5.083 761 HD11 LEU 104 1HD1 LEU 104 -18.695 -6.751 4.854 762 HD12 LEU 104 2HD1 LEU 104 -18.995 -6.481 3.138 763 HD13 LEU 104 3HD1 LEU 104 -19.829 -5.500 4.343 764 HD21 LEU 104 3HD2 LEU 104 -15.711 -5.573 4.061 765 HD22 LEU 104 1HD2 LEU 104 -16.307 -5.003 2.503 766 HD23 LEU 104 2HD2 LEU 104 -16.758 -6.605 3.085 767 H LEU 105 H LEU 105 -20.447 -5.963 1.945 768 HA LEU 105 HA LEU 105 -22.901 -4.462 2.575 769 HB2 LEU 105 1HB LEU 105 -22.296 -6.629 0.678 770 HB3 LEU 105 2HB LEU 105 -23.807 -6.806 1.569 771 HG LEU 105 HG LEU 105 -24.342 -4.434 0.755 772 HD11 LEU 105 1HD1 LEU 105 -21.994 -3.994 0.007 773 HD12 LEU 105 2HD1 LEU 105 -23.234 -3.655 -1.200 774 HD13 LEU 105 3HD1 LEU 105 -22.271 -5.127 -1.316 775 HD21 LEU 105 3HD2 LEU 105 -25.267 -5.275 -1.312 776 HD22 LEU 105 1HD2 LEU 105 -25.423 -6.501 -0.053 777 HD23 LEU 105 2HD2 LEU 105 -24.165 -6.653 -1.281 778 H ARG 106 H ARG 106 -20.985 -7.308 3.296 779 HA ARG 106 HA ARG 106 -21.878 -7.475 5.952 780 HB2 ARG 106 1HB ARG 106 -23.100 -9.660 5.790 781 HB3 ARG 106 2HB ARG 106 -23.966 -8.286 5.116 782 HG2 ARG 106 1HG ARG 106 -23.032 -9.011 2.861 783 HG3 ARG 106 2HG ARG 106 -22.593 -10.520 3.664 784 HD2 ARG 106 1HD ARG 106 -24.960 -10.788 4.348 785 HD3 ARG 106 2HD ARG 106 -25.358 -9.341 3.422 786 HE ARG 106 HE ARG 106 -24.130 -10.926 1.605 787 HH11 ARG 106 1HH1 ARG 106 -26.777 -11.412 3.814 788 HH12 ARG 106 2HH1 ARG 106 -27.583 -12.563 2.800 789 HH21 ARG 106 1HH2 ARG 106 -25.182 -12.440 0.261 790 HH22 ARG 106 2HH2 ARG 106 -26.674 -13.147 0.779 791 H VAL 107 H VAL 107 -21.129 -9.555 7.011 792 HA VAL 107 HA VAL 107 -18.832 -10.701 5.568 793 HB VAL 107 HB VAL 107 -17.980 -9.057 7.154 794 HG11 VAL 107 1HG1 VAL 107 -18.319 -9.340 9.566 795 HG12 VAL 107 2HG1 VAL 107 -19.840 -9.040 8.725 796 HG13 VAL 107 3HG1 VAL 107 -19.429 -10.673 9.250 797 HG21 VAL 107 3HG2 VAL 107 -16.678 -11.089 6.752 798 HG22 VAL 107 1HG2 VAL 107 -16.459 -10.504 8.402 799 HG23 VAL 107 2HG2 VAL 107 -17.506 -11.888 8.088 800 H GLU 108 H GLU 108 -18.336 -12.846 6.012 801 HA GLU 108 HA GLU 108 -20.110 -14.286 7.850 802 HB2 GLU 108 1HB GLU 108 -19.644 -14.963 4.946 803 HB3 GLU 108 2HB GLU 108 -20.320 -16.098 6.105 804 HG2 GLU 108 1HG GLU 108 -21.577 -13.417 5.753 805 HG3 GLU 108 2HG GLU 108 -21.886 -14.697 4.581 Start of MODEL 14 1 H1 MET 1 H MET 1 3.159 -1.625 0.252 2 HA MET 1 HA MET 1 1.594 0.602 -0.869 3 HB2 MET 1 1HB MET 1 4.322 -0.413 -1.688 4 HB3 MET 1 2HB MET 1 3.467 0.930 -2.434 5 HG2 MET 1 1HG MET 1 4.357 0.831 0.439 6 HG3 MET 1 2HG MET 1 5.216 1.649 -0.865 7 HE1 MET 1 3HE MET 1 3.847 4.546 1.288 8 HE2 MET 1 1HE MET 1 5.031 3.238 1.276 9 HE3 MET 1 2HE MET 1 5.001 4.411 -0.040 10 H GLY 2 H GLY 2 1.332 0.473 -3.302 11 HA2 GLY 2 1HA GLY 2 1.115 -0.894 -5.262 12 HA3 GLY 2 2HA GLY 2 1.013 -2.305 -4.220 13 H VAL 3 H VAL 3 -0.857 -0.562 -2.483 14 HA VAL 3 HA VAL 3 -3.227 -0.466 -4.173 15 HB VAL 3 HB VAL 3 -3.286 -2.762 -3.428 16 HG11 VAL 3 1HG1 VAL 3 -3.645 -2.447 -0.611 17 HG12 VAL 3 2HG1 VAL 3 -2.447 -3.411 -1.478 18 HG13 VAL 3 3HG1 VAL 3 -2.108 -1.725 -1.085 19 HG21 VAL 3 3HG2 VAL 3 -5.322 -0.987 -3.149 20 HG22 VAL 3 1HG2 VAL 3 -5.481 -2.731 -2.941 21 HG23 VAL 3 2HG2 VAL 3 -5.260 -1.692 -1.533 22 H GLN 4 H GLN 4 -4.331 1.310 -3.698 23 HA GLN 4 HA GLN 4 -4.063 2.445 -0.993 24 HB2 GLN 4 1HB GLN 4 -3.820 3.640 -3.650 25 HB3 GLN 4 2HB GLN 4 -4.919 4.521 -2.597 26 HG2 GLN 4 1HG GLN 4 -3.015 5.565 -2.003 27 HG3 GLN 4 2HG GLN 4 -2.893 4.197 -0.898 28 HE21 GLN 4 2HE2 GLN 4 -1.259 2.770 -1.125 29 HE22 GLN 4 1HE2 GLN 4 -0.021 2.891 -2.324 30 H VAL 5 H VAL 5 -5.872 2.999 0.115 31 HA VAL 5 HA VAL 5 -8.455 2.521 -1.227 32 HB VAL 5 HB VAL 5 -8.068 0.769 0.387 33 HG11 VAL 5 1HG1 VAL 5 -6.800 2.822 1.863 34 HG12 VAL 5 2HG1 VAL 5 -8.119 2.194 2.853 35 HG13 VAL 5 3HG1 VAL 5 -6.882 1.100 2.232 36 HG21 VAL 5 3HG2 VAL 5 -10.348 1.745 0.167 37 HG22 VAL 5 1HG2 VAL 5 -10.043 0.993 1.733 38 HG23 VAL 5 2HG2 VAL 5 -10.007 2.749 1.576 39 H VAL 6 H VAL 6 -9.678 4.269 -1.400 40 HA VAL 6 HA VAL 6 -9.320 6.442 0.561 41 HB VAL 6 HB VAL 6 -10.386 6.783 -2.238 42 HG11 VAL 6 1HG1 VAL 6 -9.434 8.676 -0.102 43 HG12 VAL 6 2HG1 VAL 6 -9.660 9.159 -1.784 44 HG13 VAL 6 3HG1 VAL 6 -11.033 8.581 -0.839 45 HG21 VAL 6 3HG2 VAL 6 -7.564 6.856 -1.227 46 HG22 VAL 6 1HG2 VAL 6 -8.212 6.053 -2.657 47 HG23 VAL 6 2HG2 VAL 6 -8.058 7.810 -2.625 48 H THR 7 H THR 7 -10.941 6.448 1.969 49 HA THR 7 HA THR 7 -13.398 5.181 1.691 50 HB THR 7 HB THR 7 -13.120 7.649 3.380 51 HG1 THR 7 HG1 THR 7 -11.674 6.698 4.619 52 HG21 THR 7 3HG2 THR 7 -15.063 6.884 4.160 53 HG22 THR 7 1HG2 THR 7 -14.201 5.485 4.797 54 HG23 THR 7 2HG2 THR 7 -14.929 5.416 3.192 55 H LEU 8 H LEU 8 -15.401 5.786 0.997 56 HA LEU 8 HA LEU 8 -15.646 8.459 -0.216 57 HB2 LEU 8 1HB LEU 8 -16.919 5.953 -1.292 58 HB3 LEU 8 2HB LEU 8 -16.881 7.548 -2.042 59 HG LEU 8 HG LEU 8 -14.315 6.105 -1.538 60 HD11 LEU 8 1HD1 LEU 8 -16.117 5.612 -3.903 61 HD12 LEU 8 2HD1 LEU 8 -15.781 4.458 -2.613 62 HD13 LEU 8 3HD1 LEU 8 -14.483 4.987 -3.683 63 HD21 LEU 8 3HD2 LEU 8 -14.413 8.472 -2.328 64 HD22 LEU 8 1HD2 LEU 8 -15.204 7.892 -3.794 65 HD23 LEU 8 2HD2 LEU 8 -13.560 7.375 -3.416 66 H ALA 9 H ALA 9 -17.308 5.729 1.281 67 HA ALA 9 HA ALA 9 -19.314 7.592 2.317 68 HB1 ALA 9 1HB ALA 9 -20.582 5.096 1.653 69 HB2 ALA 9 2HB ALA 9 -21.025 6.739 1.188 70 HB3 ALA 9 3HB ALA 9 -19.865 5.831 0.219 71 H ALA 10 H ALA 10 -18.687 7.443 4.412 72 HA ALA 10 HA ALA 10 -17.677 5.264 5.765 73 HB1 ALA 10 1HB ALA 10 -17.584 7.395 6.796 74 HB2 ALA 10 2HB ALA 10 -19.340 7.563 6.766 75 HB3 ALA 10 3HB ALA 10 -18.586 6.379 7.833 76 H GLY 11 H GLY 11 -18.500 3.514 6.819 77 HA2 GLY 11 1HA GLY 11 -21.386 3.022 6.438 78 HA3 GLY 11 2HA GLY 11 -20.159 1.764 6.465 79 H ASP 12 H ASP 12 -20.436 0.550 8.209 80 HA ASP 12 HA ASP 12 -21.589 1.619 10.625 81 HB2 ASP 12 1HB ASP 12 -21.823 -0.574 11.329 82 HB3 ASP 12 2HB ASP 12 -21.855 -0.771 9.579 83 H GLU 13 H GLU 13 -18.413 0.744 9.459 84 HA GLU 13 HA GLU 13 -16.333 0.865 10.384 85 HB2 GLU 13 1HB GLU 13 -17.648 3.136 11.885 86 HB3 GLU 13 2HB GLU 13 -15.914 2.868 11.780 87 HG2 GLU 13 1HG GLU 13 -16.089 3.103 9.312 88 HG3 GLU 13 2HG GLU 13 -17.785 3.534 9.521 89 H ALA 14 H ALA 14 -17.368 -1.235 11.447 90 HA ALA 14 HA ALA 14 -16.313 -1.323 14.106 91 HB1 ALA 14 1HB ALA 14 -18.929 -2.380 14.459 92 HB2 ALA 14 2HB ALA 14 -18.150 -1.049 15.315 93 HB3 ALA 14 3HB ALA 14 -19.069 -0.733 13.843 94 H THR 15 H THR 15 -18.240 -2.912 11.610 95 HA THR 15 HA THR 15 -17.222 -5.522 12.477 96 HB THR 15 HB THR 15 -19.328 -4.953 10.384 97 HG1 THR 15 HG1 THR 15 -19.557 -5.555 13.159 98 HG21 THR 15 3HG2 THR 15 -18.111 -7.402 11.522 99 HG22 THR 15 1HG2 THR 15 -18.775 -7.109 9.915 100 HG23 THR 15 2HG2 THR 15 -19.857 -7.425 11.272 101 H TYR 16 H TYR 16 -15.456 -6.268 11.523 102 HA TYR 16 HA TYR 16 -14.987 -5.584 8.695 103 HB2 TYR 16 1HB TYR 16 -12.915 -5.897 10.878 104 HB3 TYR 16 2HB TYR 16 -12.563 -5.625 9.175 105 HD1 TYR 16 HD1 TYR 16 -14.265 -4.103 12.112 106 HD2 TYR 16 HD2 TYR 16 -12.431 -3.447 8.330 107 HE1 TYR 16 HE1 TYR 16 -14.376 -1.675 12.486 108 HE2 TYR 16 HE2 TYR 16 -12.535 -1.017 8.693 109 HH TYR 16 HH TYR 16 -13.620 0.607 9.974 110 HA PRO 17 HA PRO 17 -14.687 -9.880 7.847 111 HB2 PRO 17 1HB PRO 17 -12.868 -9.887 5.831 112 HB3 PRO 17 2HB PRO 17 -14.525 -9.306 5.628 113 HG2 PRO 17 1HG PRO 17 -12.011 -7.744 6.081 114 HG3 PRO 17 2HG PRO 17 -13.347 -7.415 4.962 115 HD2 PRO 17 1HD PRO 17 -13.088 -6.141 7.337 116 HD3 PRO 17 2HD PRO 17 -14.669 -6.497 6.611 117 H LYS 18 H LYS 18 -13.613 -11.588 8.652 118 HA LYS 18 HA LYS 18 -11.041 -11.122 9.929 119 HB2 LYS 18 1HB LYS 18 -13.107 -12.385 10.919 120 HB3 LYS 18 2HB LYS 18 -12.494 -13.744 9.986 121 HG2 LYS 18 1HG LYS 18 -10.445 -13.753 11.193 122 HG3 LYS 18 2HG LYS 18 -10.836 -12.222 11.981 123 HD2 LYS 18 1HD LYS 18 -12.759 -13.326 13.081 124 HD3 LYS 18 2HD LYS 18 -12.264 -14.856 12.352 125 HE2 LYS 18 1HE LYS 18 -11.458 -14.750 14.623 126 HE3 LYS 18 2HE LYS 18 -10.092 -14.665 13.512 127 HZ1 LYS 18 3HZ LYS 18 -9.686 -12.494 14.029 128 HZ2 LYS 18 1HZ LYS 18 -10.292 -13.026 15.516 129 HZ3 LYS 18 2HZ LYS 18 -11.288 -12.161 14.458 130 H ALA 19 H ALA 19 -9.154 -12.195 9.447 131 HA ALA 19 HA ALA 19 -8.646 -12.874 6.792 132 HB1 ALA 19 1HB ALA 19 -7.159 -13.285 9.349 133 HB2 ALA 19 2HB ALA 19 -6.563 -14.017 7.859 134 HB3 ALA 19 3HB ALA 19 -6.756 -12.267 7.965 135 H GLY 20 H GLY 20 -9.388 -14.554 5.678 136 HA2 GLY 20 1HA GLY 20 -9.307 -16.910 5.236 137 HA3 GLY 20 2HA GLY 20 -9.381 -17.198 6.968 138 H GLN 21 H GLN 21 -11.548 -14.973 6.934 139 HA GLN 21 HA GLN 21 -13.752 -16.830 6.668 140 HB2 GLN 21 1HB GLN 21 -13.418 -14.072 7.778 141 HB3 GLN 21 2HB GLN 21 -15.032 -14.649 7.384 142 HG2 GLN 21 1HG GLN 21 -14.293 -16.723 8.807 143 HG3 GLN 21 2HG GLN 21 -13.146 -15.571 9.490 144 HE21 GLN 21 2HE2 GLN 21 -14.641 -13.269 9.471 145 HE22 GLN 21 1HE2 GLN 21 -15.968 -13.434 10.565 146 H VAL 22 H VAL 22 -15.822 -15.955 5.647 147 HA VAL 22 HA VAL 22 -15.140 -14.953 2.976 148 HB VAL 22 HB VAL 22 -16.311 -17.051 2.927 149 HG11 VAL 22 1HG1 VAL 22 -18.583 -17.285 3.867 150 HG12 VAL 22 2HG1 VAL 22 -17.358 -16.999 5.106 151 HG13 VAL 22 3HG1 VAL 22 -18.421 -15.687 4.595 152 HG21 VAL 22 3HG2 VAL 22 -16.911 -15.126 1.325 153 HG22 VAL 22 1HG2 VAL 22 -17.979 -16.529 1.386 154 HG23 VAL 22 2HG2 VAL 22 -18.425 -15.043 2.226 155 H ALA 23 H ALA 23 -15.815 -13.026 2.263 156 HA ALA 23 HA ALA 23 -17.858 -11.595 3.832 157 HB1 ALA 23 1HB ALA 23 -16.637 -9.525 3.546 158 HB2 ALA 23 2HB ALA 23 -15.608 -10.726 4.329 159 HB3 ALA 23 3HB ALA 23 -15.390 -10.359 2.618 160 H VAL 24 H VAL 24 -19.211 -10.180 2.686 161 HA VAL 24 HA VAL 24 -19.188 -10.576 -0.236 162 HB VAL 24 HB VAL 24 -21.631 -9.937 1.409 163 HG11 VAL 24 1HG1 VAL 24 -22.051 -11.408 -1.027 164 HG12 VAL 24 2HG1 VAL 24 -22.696 -9.839 -0.539 165 HG13 VAL 24 3HG1 VAL 24 -21.129 -9.939 -1.343 166 HG21 VAL 24 3HG2 VAL 24 -20.218 -12.473 1.084 167 HG22 VAL 24 1HG2 VAL 24 -21.466 -12.008 2.241 168 HG23 VAL 24 2HG2 VAL 24 -21.919 -12.547 0.624 169 H VAL 25 H VAL 25 -18.871 -8.822 -1.428 170 HA VAL 25 HA VAL 25 -19.819 -6.225 -0.486 171 HB VAL 25 HB VAL 25 -17.784 -5.095 -0.678 172 HG11 VAL 25 1HG1 VAL 25 -16.838 -7.720 0.437 173 HG12 VAL 25 2HG1 VAL 25 -16.387 -6.086 0.930 174 HG13 VAL 25 3HG1 VAL 25 -18.001 -6.704 1.288 175 HG21 VAL 25 3HG2 VAL 25 -16.746 -5.697 -2.618 176 HG22 VAL 25 1HG2 VAL 25 -15.716 -6.553 -1.470 177 HG23 VAL 25 2HG2 VAL 25 -16.981 -7.423 -2.339 178 H HIS 26 H HIS 26 -19.504 -4.529 -2.240 179 HA HIS 26 HA HIS 26 -20.069 -5.770 -4.849 180 HB2 HIS 26 1HB HIS 26 -21.256 -3.508 -3.386 181 HB3 HIS 26 2HB HIS 26 -20.953 -3.194 -5.092 182 HD1 HIS 26 HD1 HIS 26 -21.936 -5.284 -6.688 183 HD2 HIS 26 HD2 HIS 26 -23.672 -4.628 -2.971 184 HE1 HIS 26 HE1 HIS 26 -24.192 -6.390 -6.795 185 H TYR 27 H TYR 27 -18.570 -5.550 -6.360 186 HA TYR 27 HA TYR 27 -16.550 -3.445 -6.059 187 HB2 TYR 27 1HB TYR 27 -15.141 -4.774 -7.501 188 HB3 TYR 27 2HB TYR 27 -15.790 -5.813 -6.237 189 HD1 TYR 27 HD2 TYR 27 -16.122 -4.891 -9.806 190 HD2 TYR 27 HD1 TYR 27 -17.117 -7.700 -6.769 191 HE1 TYR 27 HE2 TYR 27 -16.972 -6.436 -11.521 192 HE2 TYR 27 HE1 TYR 27 -17.968 -9.253 -8.476 193 HH TYR 27 HH TYR 27 -18.198 -9.651 -10.653 194 H THR 28 H THR 28 -16.108 -1.979 -7.662 195 HA THR 28 HA THR 28 -17.759 -2.060 -10.088 196 HB THR 28 HB THR 28 -17.431 0.381 -8.333 197 HG1 THR 28 HG1 THR 28 -19.040 -1.430 -7.846 198 HG21 THR 28 3HG2 THR 28 -19.410 0.830 -10.242 199 HG22 THR 28 1HG2 THR 28 -18.090 0.074 -11.134 200 HG23 THR 28 2HG2 THR 28 -17.798 1.544 -10.204 201 H GLY 29 H GLY 29 -16.613 -1.693 -11.878 202 HA2 GLY 29 1HA GLY 29 -13.822 -1.243 -11.787 203 HA3 GLY 29 2HA GLY 29 -14.820 -1.222 -13.233 204 H THR 30 H THR 30 -12.574 0.521 -12.286 205 HA THR 30 HA THR 30 -13.640 2.992 -13.206 206 HB THR 30 HB THR 30 -12.565 3.743 -10.664 207 HG1 THR 30 HG1 THR 30 -13.635 2.518 -9.293 208 HG21 THR 30 3HG2 THR 30 -14.240 4.866 -12.313 209 HG22 THR 30 1HG2 THR 30 -14.423 5.129 -10.579 210 HG23 THR 30 2HG2 THR 30 -15.456 3.965 -11.409 211 H LEU 31 H LEU 31 -12.043 4.399 -13.847 212 HA LEU 31 HA LEU 31 -9.310 3.366 -13.647 213 HB2 LEU 31 1HB LEU 31 -10.704 5.214 -15.546 214 HB3 LEU 31 2HB LEU 31 -8.945 5.193 -15.443 215 HG LEU 31 HG LEU 31 -10.706 2.860 -16.195 216 HD11 LEU 31 1HD1 LEU 31 -9.718 3.125 -18.410 217 HD12 LEU 31 2HD1 LEU 31 -8.839 4.549 -17.854 218 HD13 LEU 31 3HD1 LEU 31 -10.601 4.574 -17.927 219 HD21 LEU 31 3HD2 LEU 31 -8.901 1.804 -15.258 220 HD22 LEU 31 1HD2 LEU 31 -7.794 3.126 -15.628 221 HD23 LEU 31 2HD2 LEU 31 -8.316 2.030 -16.907 222 H ALA 32 H ALA 32 -7.540 4.938 -13.404 223 HA ALA 32 HA ALA 32 -7.805 6.474 -11.086 224 HB1 ALA 32 1HB ALA 32 -5.714 6.187 -13.180 225 HB2 ALA 32 2HB ALA 32 -5.586 7.530 -12.044 226 HB3 ALA 32 3HB ALA 32 -5.631 5.872 -11.446 227 H ASP 33 H ASP 33 -8.510 7.235 -14.366 228 HA ASP 33 HA ASP 33 -8.387 10.101 -14.001 229 HB2 ASP 33 1HB ASP 33 -8.923 10.283 -16.279 230 HB3 ASP 33 2HB ASP 33 -7.957 8.813 -16.189 231 H GLY 34 H GLY 34 -10.629 7.627 -13.386 232 HA2 GLY 34 1HA GLY 34 -12.560 8.219 -12.028 233 HA3 GLY 34 2HA GLY 34 -12.750 9.649 -13.032 234 H LYS 35 H LYS 35 -12.032 7.714 -15.359 235 HA LYS 35 HA LYS 35 -14.562 7.407 -16.413 236 HB2 LYS 35 1HB LYS 35 -12.294 7.155 -17.569 237 HB3 LYS 35 2HB LYS 35 -12.312 5.490 -17.002 238 HG2 LYS 35 1HG LYS 35 -13.163 5.284 -19.127 239 HG3 LYS 35 2HG LYS 35 -14.634 5.393 -18.157 240 HD2 LYS 35 1HD LYS 35 -14.978 6.843 -19.982 241 HD3 LYS 35 2HD LYS 35 -14.572 7.892 -18.622 242 HE2 LYS 35 1HE LYS 35 -13.275 8.749 -20.345 243 HE3 LYS 35 2HE LYS 35 -12.149 7.695 -19.491 244 HZ1 LYS 35 3HZ LYS 35 -12.114 7.475 -21.953 245 HZ2 LYS 35 1HZ LYS 35 -13.687 6.855 -21.885 246 HZ3 LYS 35 2HZ LYS 35 -12.417 6.024 -21.138 247 H VAL 36 H VAL 36 -16.236 6.232 -15.782 248 HA VAL 36 HA VAL 36 -15.981 4.124 -13.866 249 HB VAL 36 HB VAL 36 -17.953 5.686 -14.046 250 HG11 VAL 36 1HG1 VAL 36 -18.700 3.876 -16.341 251 HG12 VAL 36 2HG1 VAL 36 -19.711 5.140 -15.637 252 HG13 VAL 36 3HG1 VAL 36 -18.222 5.567 -16.481 253 HG21 VAL 36 3HG2 VAL 36 -17.801 3.034 -13.234 254 HG22 VAL 36 1HG2 VAL 36 -19.045 4.203 -12.794 255 HG23 VAL 36 2HG2 VAL 36 -19.295 3.125 -14.167 256 H PHE 37 H PHE 37 -16.369 1.929 -14.123 257 HA PHE 37 HA PHE 37 -16.497 0.940 -16.891 258 HB2 PHE 37 1HB PHE 37 -14.489 0.355 -14.780 259 HB3 PHE 37 2HB PHE 37 -15.022 -1.000 -15.770 260 HD1 PHE 37 HD1 PHE 37 -13.768 2.493 -16.091 261 HD2 PHE 37 HD2 PHE 37 -13.962 -1.412 -17.773 262 HE1 PHE 37 HE1 PHE 37 -12.208 3.183 -17.864 263 HE2 PHE 37 HE2 PHE 37 -12.402 -0.729 -19.549 264 HZ PHE 37 HZ PHE 37 -11.523 1.571 -19.596 265 H ASP 38 H ASP 38 -16.681 -1.683 -16.590 266 HA ASP 38 HA ASP 38 -19.307 -2.142 -15.792 267 HB2 ASP 38 1HB ASP 38 -17.604 -3.559 -17.249 268 HB3 ASP 38 2HB ASP 38 -17.356 -4.401 -15.722 269 H SER 39 H SER 39 -20.272 -2.712 -13.929 270 HA SER 39 HA SER 39 -18.545 -3.239 -11.600 271 HB2 SER 39 1HB SER 39 -19.808 -1.829 -10.238 272 HB3 SER 39 2HB SER 39 -19.775 -0.941 -11.761 273 HG SER 39 HG SER 39 -21.863 -1.031 -11.689 274 H SER 40 H SER 40 -19.651 -4.407 -9.830 275 HA SER 40 HA SER 40 -21.056 -6.678 -10.893 276 HB2 SER 40 1HB SER 40 -19.320 -6.392 -8.836 277 HB3 SER 40 2HB SER 40 -20.848 -6.365 -7.955 278 HG SER 40 HG SER 40 -21.342 -8.369 -8.773 279 H ARG 41 H ARG 41 -21.887 -3.762 -9.213 280 HA ARG 41 HA ARG 41 -24.352 -4.515 -8.109 281 HB2 ARG 41 1HB ARG 41 -23.644 -1.788 -9.197 282 HB3 ARG 41 2HB ARG 41 -24.840 -2.160 -7.963 283 HG2 ARG 41 1HG ARG 41 -22.246 -3.163 -7.211 284 HG3 ARG 41 2HG ARG 41 -22.182 -1.437 -7.575 285 HD2 ARG 41 1HD ARG 41 -24.128 -2.758 -5.685 286 HD3 ARG 41 2HD ARG 41 -22.675 -1.881 -5.205 287 HE ARG 41 HE ARG 41 -24.017 -0.065 -6.683 288 HH11 ARG 41 1HH1 ARG 41 -24.930 -2.095 -4.007 289 HH12 ARG 41 2HH1 ARG 41 -26.106 -0.980 -3.393 290 HH21 ARG 41 1HH2 ARG 41 -25.562 1.412 -5.885 291 HH22 ARG 41 2HH2 ARG 41 -26.465 1.014 -4.463 292 H THR 42 H THR 42 -23.428 -3.651 -11.357 293 HA THR 42 HA THR 42 -25.929 -3.025 -12.436 294 HB THR 42 HB THR 42 -23.614 -4.399 -13.817 295 HG1 THR 42 HG1 THR 42 -23.113 -2.338 -12.869 296 HG21 THR 42 3HG2 THR 42 -25.130 -4.598 -15.474 297 HG22 THR 42 1HG2 THR 42 -24.851 -2.871 -15.697 298 HG23 THR 42 2HG2 THR 42 -26.228 -3.426 -14.745 299 H ARG 43 H ARG 43 -24.588 -6.054 -11.462 300 HA ARG 43 HA ARG 43 -26.642 -7.558 -12.905 301 HB2 ARG 43 1HB ARG 43 -24.160 -8.244 -12.791 302 HB3 ARG 43 2HB ARG 43 -24.512 -8.743 -11.142 303 HG2 ARG 43 1HG ARG 43 -24.942 -10.719 -12.115 304 HG3 ARG 43 2HG ARG 43 -26.512 -9.985 -12.447 305 HD2 ARG 43 1HD ARG 43 -25.598 -11.029 -14.449 306 HD3 ARG 43 2HD ARG 43 -25.719 -9.281 -14.649 307 HE ARG 43 HE ARG 43 -23.144 -10.034 -13.717 308 HH11 ARG 43 1HH1 ARG 43 -25.145 -9.952 -16.564 309 HH12 ARG 43 2HH1 ARG 43 -23.808 -9.857 -17.661 310 HH21 ARG 43 1HH2 ARG 43 -21.374 -9.909 -15.150 311 HH22 ARG 43 2HH2 ARG 43 -21.663 -9.834 -16.855 312 H GLY 44 H GLY 44 -26.643 -5.852 -10.209 313 HA2 GLY 44 1HA GLY 44 -27.776 -5.921 -8.211 314 HA3 GLY 44 2HA GLY 44 -28.901 -6.961 -9.071 315 H LYS 45 H LYS 45 -25.528 -7.713 -8.400 316 HA LYS 45 HA LYS 45 -26.246 -9.491 -6.220 317 HB2 LYS 45 1HB LYS 45 -25.629 -10.423 -8.951 318 HB3 LYS 45 2HB LYS 45 -24.750 -11.241 -7.666 319 HG2 LYS 45 1HG LYS 45 -26.742 -11.995 -6.650 320 HG3 LYS 45 2HG LYS 45 -27.737 -10.921 -7.637 321 HD2 LYS 45 1HD LYS 45 -28.049 -12.831 -8.824 322 HD3 LYS 45 2HD LYS 45 -26.547 -12.307 -9.590 323 HE2 LYS 45 1HE LYS 45 -25.272 -13.736 -8.078 324 HE3 LYS 45 2HE LYS 45 -26.761 -14.237 -7.280 325 HZ1 LYS 45 3HZ LYS 45 -26.562 -15.935 -8.736 326 HZ2 LYS 45 1HZ LYS 45 -25.679 -15.035 -9.864 327 HZ3 LYS 45 2HZ LYS 45 -27.359 -14.861 -9.772 328 HA PRO 46 HA PRO 46 -22.254 -7.793 -5.133 329 HB2 PRO 46 1HB PRO 46 -22.238 -8.787 -2.607 330 HB3 PRO 46 2HB PRO 46 -23.164 -7.354 -3.070 331 HG2 PRO 46 1HG PRO 46 -24.091 -10.180 -2.732 332 HG3 PRO 46 2HG PRO 46 -24.870 -8.676 -2.205 333 HD2 PRO 46 1HD PRO 46 -25.632 -10.007 -4.436 334 HD3 PRO 46 2HD PRO 46 -25.729 -8.240 -4.298 335 H PHE 47 H PHE 47 -20.177 -8.606 -4.832 336 HA PHE 47 HA PHE 47 -19.880 -11.441 -5.465 337 HB2 PHE 47 1HB PHE 47 -18.667 -9.400 -6.620 338 HB3 PHE 47 2HB PHE 47 -17.555 -9.571 -5.266 339 HD1 PHE 47 HD1 PHE 47 -19.111 -11.461 -8.055 340 HD2 PHE 47 HD2 PHE 47 -15.859 -11.159 -5.326 341 HE1 PHE 47 HE1 PHE 47 -17.945 -13.269 -9.249 342 HE2 PHE 47 HE2 PHE 47 -14.687 -12.966 -6.516 343 HZ PHE 47 HZ PHE 47 -15.730 -14.023 -8.481 344 H ARG 48 H ARG 48 -19.390 -12.889 -3.964 345 HA ARG 48 HA ARG 48 -18.192 -11.944 -1.443 346 HB2 ARG 48 1HB ARG 48 -19.303 -13.805 -0.329 347 HB3 ARG 48 2HB ARG 48 -20.478 -12.809 -1.177 348 HG2 ARG 48 1HG ARG 48 -21.024 -14.447 -2.634 349 HG3 ARG 48 2HG ARG 48 -19.391 -15.115 -2.665 350 HD2 ARG 48 1HD ARG 48 -19.920 -15.817 -0.218 351 HD3 ARG 48 2HD ARG 48 -21.599 -15.590 -0.705 352 HE ARG 48 HE ARG 48 -20.193 -17.223 -2.559 353 HH11 ARG 48 1HH1 ARG 48 -21.712 -17.250 0.573 354 HH12 ARG 48 2HH1 ARG 48 -22.072 -18.944 0.528 355 HH21 ARG 48 1HH2 ARG 48 -20.661 -19.454 -2.630 356 HH22 ARG 48 2HH2 ARG 48 -21.472 -20.197 -1.294 357 H PHE 49 H PHE 49 -16.551 -13.164 -0.490 358 HA PHE 49 HA PHE 49 -15.603 -15.615 -1.565 359 HB2 PHE 49 1HB PHE 49 -13.482 -14.829 -2.503 360 HB3 PHE 49 2HB PHE 49 -14.844 -14.135 -3.376 361 HD1 PHE 49 HD2 PHE 49 -12.123 -13.448 -1.012 362 HD2 PHE 49 HD1 PHE 49 -15.277 -11.784 -3.337 363 HE1 PHE 49 HE2 PHE 49 -11.215 -11.194 -0.625 364 HE2 PHE 49 HE1 PHE 49 -14.373 -9.528 -2.955 365 HZ PHE 49 HZ PHE 49 -12.341 -9.230 -1.596 366 H THR 50 H THR 50 -13.285 -16.054 -0.674 367 HA THR 50 HA THR 50 -13.391 -15.431 2.160 368 HB THR 50 HB THR 50 -11.513 -17.249 0.637 369 HG1 THR 50 HG1 THR 50 -13.727 -17.907 2.307 370 HG21 THR 50 3HG2 THR 50 -11.252 -18.201 3.033 371 HG22 THR 50 1HG2 THR 50 -11.835 -16.620 3.550 372 HG23 THR 50 2HG2 THR 50 -10.358 -16.746 2.594 373 H VAL 51 H VAL 51 -12.469 -13.611 2.838 374 HA VAL 51 HA VAL 51 -10.513 -12.164 1.410 375 HB VAL 51 HB VAL 51 -11.049 -11.928 4.369 376 HG11 VAL 51 1HG1 VAL 51 -9.300 -10.510 3.987 377 HG12 VAL 51 2HG1 VAL 51 -9.742 -10.240 2.300 378 HG13 VAL 51 3HG1 VAL 51 -10.641 -9.437 3.588 379 HG21 VAL 51 3HG2 VAL 51 -12.630 -10.041 3.393 380 HG22 VAL 51 1HG2 VAL 51 -12.709 -11.156 2.029 381 HG23 VAL 51 2HG2 VAL 51 -13.199 -11.692 3.637 382 H GLY 52 H GLY 52 -8.646 -13.240 0.965 383 HA2 GLY 52 1HA GLY 52 -6.376 -13.290 2.054 384 HA3 GLY 52 2HA GLY 52 -7.138 -14.298 3.276 385 H ARG 53 H ARG 53 -8.728 -15.388 0.798 386 HA ARG 53 HA ARG 53 -7.010 -17.668 0.442 387 HB2 ARG 53 1HB ARG 53 -9.793 -16.937 -0.330 388 HB3 ARG 53 2HB ARG 53 -8.990 -18.197 -1.257 389 HG2 ARG 53 1HG ARG 53 -9.161 -18.267 1.739 390 HG3 ARG 53 2HG ARG 53 -10.412 -18.945 0.695 391 HD2 ARG 53 1HD ARG 53 -9.133 -20.807 0.979 392 HD3 ARG 53 2HD ARG 53 -8.315 -20.118 -0.423 393 HE ARG 53 HE ARG 53 -6.462 -19.853 0.872 394 HH11 ARG 53 1HH1 ARG 53 -9.242 -20.068 2.956 395 HH12 ARG 53 2HH1 ARG 53 -8.312 -20.044 4.417 396 HH21 ARG 53 1HH2 ARG 53 -5.226 -19.820 2.789 397 HH22 ARG 53 2HH2 ARG 53 -6.027 -19.902 4.321 398 H GLY 54 H GLY 54 -6.815 -18.579 -1.872 399 HA2 GLY 54 1HA GLY 54 -5.523 -16.504 -3.466 400 HA3 GLY 54 2HA GLY 54 -5.364 -18.240 -3.690 401 H GLU 55 H GLU 55 -8.558 -17.070 -3.299 402 HA GLU 55 HA GLU 55 -9.165 -17.781 -6.046 403 HB2 GLU 55 1HB GLU 55 -11.004 -16.895 -3.815 404 HB3 GLU 55 2HB GLU 55 -11.509 -17.547 -5.368 405 HG2 GLU 55 1HG GLU 55 -10.402 -19.666 -4.824 406 HG3 GLU 55 2HG GLU 55 -9.945 -19.010 -3.253 407 H VAL 56 H VAL 56 -8.735 -14.941 -4.131 408 HA VAL 56 HA VAL 56 -9.752 -13.278 -6.342 409 HB VAL 56 HB VAL 56 -9.832 -11.435 -4.612 410 HG11 VAL 56 1HG1 VAL 56 -11.763 -12.934 -5.440 411 HG12 VAL 56 2HG1 VAL 56 -11.658 -13.682 -3.845 412 HG13 VAL 56 3HG1 VAL 56 -12.009 -11.960 -3.991 413 HG21 VAL 56 3HG2 VAL 56 -8.515 -13.323 -3.046 414 HG22 VAL 56 1HG2 VAL 56 -9.170 -11.775 -2.514 415 HG23 VAL 56 2HG2 VAL 56 -10.144 -13.238 -2.376 416 H ILE 57 H ILE 57 -8.618 -10.945 -6.049 417 HA ILE 57 HA ILE 57 -5.779 -11.491 -6.462 418 HB ILE 57 HB ILE 57 -5.707 -9.162 -7.356 419 HG12 ILE 57 1HG1 ILE 57 -8.680 -9.127 -7.504 420 HG13 ILE 57 2HG1 ILE 57 -7.942 -8.689 -5.967 421 HG21 ILE 57 1HG2 ILE 57 -7.784 -10.922 -8.652 422 HG22 ILE 57 2HG2 ILE 57 -6.801 -9.690 -9.443 423 HG23 ILE 57 3HG2 ILE 57 -6.040 -11.142 -8.795 424 HD11 ILE 57 3HD1 ILE 57 -6.540 -7.040 -7.283 425 HD12 ILE 57 1HD1 ILE 57 -7.638 -7.345 -8.629 426 HD13 ILE 57 2HD1 ILE 57 -8.258 -6.676 -7.119 427 H ARG 58 H ARG 58 -4.155 -10.050 -5.579 428 HA ARG 58 HA ARG 58 -4.241 -9.783 -2.834 429 HB2 ARG 58 1HB ARG 58 -2.595 -8.174 -4.794 430 HB3 ARG 58 2HB ARG 58 -2.280 -8.297 -3.069 431 HG2 ARG 58 1HG ARG 58 -2.341 -10.689 -4.884 432 HG3 ARG 58 2HG ARG 58 -0.877 -9.755 -4.570 433 HD2 ARG 58 1HD ARG 58 -1.459 -10.140 -2.078 434 HD3 ARG 58 2HD ARG 58 -2.493 -11.432 -2.687 435 HE ARG 58 HE ARG 58 0.124 -11.633 -3.764 436 HH11 ARG 58 1HH1 ARG 58 -1.722 -12.199 -0.867 437 HH12 ARG 58 2HH1 ARG 58 -0.682 -13.461 -0.295 438 HH21 ARG 58 1HH2 ARG 58 1.500 -13.293 -3.021 439 HH22 ARG 58 2HH2 ARG 58 1.151 -14.082 -1.520 440 H GLY 59 H GLY 59 -4.908 -7.317 -5.302 441 HA2 GLY 59 1HA GLY 59 -5.237 -5.086 -3.728 442 HA3 GLY 59 2HA GLY 59 -6.170 -5.398 -5.185 443 H TRP 60 H TRP 60 -7.949 -7.165 -4.752 444 HA TRP 60 HA TRP 60 -9.866 -6.023 -3.097 445 HB2 TRP 60 1HB TRP 60 -9.596 -8.698 -4.415 446 HB3 TRP 60 2HB TRP 60 -10.912 -8.429 -3.276 447 HD1 TRP 60 HD1 TRP 60 -10.254 -5.273 -5.046 448 HE1 TRP 60 HE1 TRP 60 -11.959 -4.914 -6.940 449 HE3 TRP 60 HE3 TRP 60 -12.253 -9.974 -5.239 450 HZ2 TRP 60 HZ2 TRP 60 -13.897 -6.424 -8.331 451 HZ3 TRP 60 HZ3 TRP 60 -14.028 -10.434 -6.879 452 HH2 TRP 60 HH2 TRP 60 -14.832 -8.695 -8.392 453 H ASP 61 H ASP 61 -7.669 -8.727 -2.470 454 HA ASP 61 HA ASP 61 -8.627 -9.650 -0.069 455 HB2 ASP 61 1HB ASP 61 -6.542 -10.358 -1.490 456 HB3 ASP 61 2HB ASP 61 -5.674 -9.272 -0.408 457 H GLU 62 H GLU 62 -6.014 -7.232 -0.347 458 HA GLU 62 HA GLU 62 -6.126 -6.482 2.372 459 HB2 GLU 62 1HB GLU 62 -4.874 -5.315 -0.084 460 HB3 GLU 62 2HB GLU 62 -4.912 -4.369 1.397 461 HG2 GLU 62 1HG GLU 62 -3.847 -7.164 1.385 462 HG3 GLU 62 2HG GLU 62 -2.842 -5.801 0.894 463 H GLY 63 H GLY 63 -7.486 -5.011 -0.560 464 HA2 GLY 63 1HA GLY 63 -8.530 -2.683 0.482 465 HA3 GLY 63 2HA GLY 63 -9.275 -3.591 -0.825 466 H VAL 64 H VAL 64 -10.411 -5.690 0.088 467 HA VAL 64 HA VAL 64 -12.592 -4.790 1.632 468 HB VAL 64 HB VAL 64 -12.662 -6.675 -0.023 469 HG11 VAL 64 1HG1 VAL 64 -11.825 -8.574 2.091 470 HG12 VAL 64 2HG1 VAL 64 -11.691 -8.698 0.336 471 HG13 VAL 64 3HG1 VAL 64 -10.552 -7.700 1.240 472 HG21 VAL 64 3HG2 VAL 64 -14.355 -6.178 1.864 473 HG22 VAL 64 1HG2 VAL 64 -14.448 -7.728 1.027 474 HG23 VAL 64 2HG2 VAL 64 -13.699 -7.628 2.621 475 H ALA 65 H ALA 65 -9.638 -6.482 2.456 476 HA ALA 65 HA ALA 65 -10.303 -7.440 4.987 477 HB1 ALA 65 1HB ALA 65 -8.283 -8.240 4.259 478 HB2 ALA 65 2HB ALA 65 -7.751 -6.669 3.659 479 HB3 ALA 65 3HB ALA 65 -7.746 -6.999 5.392 480 H GLN 66 H GLN 66 -9.240 -4.238 3.962 481 HA GLN 66 HA GLN 66 -9.405 -3.284 6.728 482 HB2 GLN 66 1HB GLN 66 -8.287 -1.269 5.921 483 HB3 GLN 66 2HB GLN 66 -7.375 -2.706 5.480 484 HG2 GLN 66 1HG GLN 66 -8.596 -2.547 3.231 485 HG3 GLN 66 2HG GLN 66 -9.003 -0.906 3.731 486 HE21 GLN 66 2HE2 GLN 66 -6.971 -2.535 1.871 487 HE22 GLN 66 1HE2 GLN 66 -5.563 -1.538 1.967 488 H MET 67 H MET 67 -11.744 -3.966 5.042 489 HA MET 67 HA MET 67 -13.007 -1.312 4.871 490 HB2 MET 67 1HB MET 67 -13.515 -3.886 3.405 491 HB3 MET 67 2HB MET 67 -14.752 -2.639 3.497 492 HG2 MET 67 1HG MET 67 -12.079 -1.744 2.644 493 HG3 MET 67 2HG MET 67 -12.937 -2.808 1.531 494 HE1 MET 67 3HE MET 67 -15.216 -2.177 0.314 495 HE2 MET 67 1HE MET 67 -15.912 -2.165 1.934 496 HE3 MET 67 2HE MET 67 -16.220 -0.823 0.832 497 H SER 68 H SER 68 -15.215 -1.117 5.593 498 HA SER 68 HA SER 68 -15.883 -3.042 7.722 499 HB2 SER 68 1HB SER 68 -17.101 -1.025 8.753 500 HB3 SER 68 2HB SER 68 -15.339 -1.030 8.829 501 HG SER 68 HG SER 68 -16.818 0.859 7.862 502 H VAL 69 H VAL 69 -18.055 -3.589 8.031 503 HA VAL 69 HA VAL 69 -19.611 -3.969 5.776 504 HB VAL 69 HB VAL 69 -20.546 -3.796 8.644 505 HG11 VAL 69 1HG1 VAL 69 -22.330 -5.407 7.674 506 HG12 VAL 69 2HG1 VAL 69 -22.515 -3.669 7.427 507 HG13 VAL 69 3HG1 VAL 69 -21.895 -4.685 6.125 508 HG21 VAL 69 3HG2 VAL 69 -20.212 -6.142 8.770 509 HG22 VAL 69 1HG2 VAL 69 -19.899 -6.258 7.038 510 HG23 VAL 69 2HG2 VAL 69 -18.732 -5.462 8.093 511 H GLY 70 H GLY 70 -20.969 -2.746 4.624 512 HA2 GLY 70 1HA GLY 70 -22.467 -1.056 4.113 513 HA3 GLY 70 2HA GLY 70 -22.414 -0.547 5.794 514 H GLN 71 H GLN 71 -19.324 -0.860 4.485 515 HA GLN 71 HA GLN 71 -19.158 2.055 4.150 516 HB2 GLN 71 1HB GLN 71 -17.754 0.740 5.901 517 HB3 GLN 71 2HB GLN 71 -16.778 0.265 4.518 518 HG2 GLN 71 1HG GLN 71 -16.993 2.976 4.193 519 HG3 GLN 71 2HG GLN 71 -16.904 2.800 5.944 520 HE21 GLN 71 2HE2 GLN 71 -15.233 2.482 2.944 521 HE22 GLN 71 1HE2 GLN 71 -13.672 2.147 3.602 522 H ARG 72 H ARG 72 -18.361 2.951 2.310 523 HA ARG 72 HA ARG 72 -17.567 1.097 0.160 524 HB2 ARG 72 1HB ARG 72 -19.748 1.925 -0.380 525 HB3 ARG 72 2HB ARG 72 -19.281 3.576 0.007 526 HG2 ARG 72 1HG ARG 72 -17.901 3.728 -1.918 527 HG3 ARG 72 2HG ARG 72 -18.044 1.997 -2.232 528 HD2 ARG 72 1HD ARG 72 -19.455 3.464 -3.697 529 HD3 ARG 72 2HD ARG 72 -20.336 2.211 -2.823 530 HE ARG 72 HE ARG 72 -20.381 4.548 -1.290 531 HH11 ARG 72 1HH1 ARG 72 -21.621 3.338 -4.309 532 HH12 ARG 72 2HH1 ARG 72 -23.028 4.350 -4.287 533 HH21 ARG 72 1HH2 ARG 72 -22.229 5.885 -1.249 534 HH22 ARG 72 2HH2 ARG 72 -23.372 5.799 -2.546 535 H ALA 73 H ALA 73 -15.749 1.568 -0.949 536 HA ALA 73 HA ALA 73 -14.607 4.220 -0.932 537 HB1 ALA 73 1HB ALA 73 -12.525 3.638 0.133 538 HB2 ALA 73 2HB ALA 73 -13.859 3.283 1.232 539 HB3 ALA 73 3HB ALA 73 -13.064 1.974 0.358 540 H LYS 74 H LYS 74 -12.583 4.310 -2.226 541 HA LYS 74 HA LYS 74 -12.806 2.480 -4.491 542 HB2 LYS 74 1HB LYS 74 -11.803 4.119 -5.797 543 HB3 LYS 74 2HB LYS 74 -12.716 5.072 -4.634 544 HG2 LYS 74 1HG LYS 74 -10.525 5.109 -3.278 545 HG3 LYS 74 2HG LYS 74 -9.764 4.616 -4.793 546 HD2 LYS 74 1HD LYS 74 -11.215 6.635 -5.730 547 HD3 LYS 74 2HD LYS 74 -11.064 7.185 -4.059 548 HE2 LYS 74 1HE LYS 74 -9.072 8.008 -4.615 549 HE3 LYS 74 2HE LYS 74 -8.507 6.344 -4.752 550 HZ1 LYS 74 3HZ LYS 74 -8.406 8.106 -6.743 551 HZ2 LYS 74 1HZ LYS 74 -9.904 7.391 -7.069 552 HZ3 LYS 74 2HZ LYS 74 -8.511 6.435 -6.984 553 H LEU 75 H LEU 75 -11.239 1.085 -5.113 554 HA LEU 75 HA LEU 75 -8.850 0.925 -3.398 555 HB2 LEU 75 1HB LEU 75 -10.524 -0.972 -3.352 556 HB3 LEU 75 2HB LEU 75 -10.044 -1.315 -5.013 557 HG LEU 75 HG LEU 75 -7.684 -1.599 -4.121 558 HD11 LEU 75 1HD1 LEU 75 -7.753 -0.566 -2.016 559 HD12 LEU 75 2HD1 LEU 75 -7.678 -2.294 -1.674 560 HD13 LEU 75 3HD1 LEU 75 -9.213 -1.435 -1.542 561 HD21 LEU 75 3HD2 LEU 75 -8.890 -3.775 -2.778 562 HD22 LEU 75 1HD2 LEU 75 -8.218 -3.731 -4.408 563 HD23 LEU 75 2HD2 LEU 75 -9.923 -3.360 -4.147 564 H VAL 76 H VAL 76 -7.421 2.150 -4.561 565 HA VAL 76 HA VAL 76 -7.020 1.526 -7.393 566 HB VAL 76 HB VAL 76 -7.160 3.872 -6.969 567 HG11 VAL 76 1HG1 VAL 76 -4.938 4.523 -5.400 568 HG12 VAL 76 2HG1 VAL 76 -6.640 4.654 -4.954 569 HG13 VAL 76 3HG1 VAL 76 -5.735 3.191 -4.564 570 HG21 VAL 76 3HG2 VAL 76 -4.242 3.184 -7.306 571 HG22 VAL 76 1HG2 VAL 76 -5.451 3.112 -8.589 572 HG23 VAL 76 2HG2 VAL 76 -5.050 4.658 -7.841 573 H CYS 77 H CYS 77 -5.817 -0.291 -7.553 574 HA CYS 77 HA CYS 77 -3.187 -0.263 -6.230 575 HB2 CYS 77 1HB CYS 77 -3.317 -2.731 -6.075 576 HB3 CYS 77 2HB CYS 77 -4.570 -1.932 -5.132 577 HG CYS 77 HG CYS 77 -6.307 -2.298 -7.584 578 H SER 78 H SER 78 -1.560 -1.634 -7.351 579 HA SER 78 HA SER 78 -1.587 -1.032 -10.164 580 HB2 SER 78 1HB SER 78 0.622 -2.698 -9.548 581 HB3 SER 78 2HB SER 78 0.620 -0.951 -9.793 582 HG SER 78 HG SER 78 1.004 -0.762 -7.748 583 HA PRO 79 HA PRO 79 -2.728 -4.891 -11.910 584 HB2 PRO 79 1HB PRO 79 -0.844 -5.339 -13.812 585 HB3 PRO 79 2HB PRO 79 -2.084 -4.088 -13.964 586 HG2 PRO 79 1HG PRO 79 0.774 -3.829 -13.112 587 HG3 PRO 79 2HG PRO 79 -0.168 -2.791 -14.198 588 HD2 PRO 79 1HD PRO 79 0.301 -2.147 -11.610 589 HD3 PRO 79 2HD PRO 79 -1.189 -1.681 -12.454 590 H ASP 80 H ASP 80 0.523 -4.637 -10.672 591 HA ASP 80 HA ASP 80 1.305 -7.328 -10.892 592 HB2 ASP 80 1HB ASP 80 2.113 -5.163 -8.947 593 HB3 ASP 80 2HB ASP 80 2.871 -6.752 -8.990 594 H TYR 81 H TYR 81 -0.858 -5.722 -8.729 595 HA TYR 81 HA TYR 81 -1.003 -8.131 -7.042 596 HB2 TYR 81 1HB TYR 81 -1.393 -5.235 -6.499 597 HB3 TYR 81 2HB TYR 81 -2.427 -6.359 -5.624 598 HD1 TYR 81 HD2 TYR 81 1.079 -6.982 -6.639 599 HD2 TYR 81 HD1 TYR 81 -1.571 -6.072 -3.438 600 HE1 TYR 81 HE2 TYR 81 2.893 -7.390 -5.029 601 HE2 TYR 81 HE1 TYR 81 0.236 -6.476 -1.819 602 HH TYR 81 HH TYR 81 2.346 -7.686 -1.679 603 H ALA 82 H ALA 82 -2.336 -7.303 -9.717 604 HA ALA 82 HA ALA 82 -4.915 -8.450 -9.051 605 HB1 ALA 82 1HB ALA 82 -6.256 -6.706 -9.957 606 HB2 ALA 82 2HB ALA 82 -5.172 -5.971 -8.775 607 HB3 ALA 82 3HB ALA 82 -4.835 -5.811 -10.499 608 H TYR 83 H TYR 83 -6.217 -7.973 -11.448 609 HA TYR 83 HA TYR 83 -4.633 -9.639 -13.242 610 HB2 TYR 83 1HB TYR 83 -6.875 -9.685 -14.524 611 HB3 TYR 83 2HB TYR 83 -6.782 -10.530 -12.982 612 HD1 TYR 83 HD2 TYR 83 -7.507 -7.036 -14.121 613 HD2 TYR 83 HD1 TYR 83 -8.656 -10.319 -11.670 614 HE1 TYR 83 HE2 TYR 83 -9.432 -5.743 -13.302 615 HE2 TYR 83 HE1 TYR 83 -10.585 -9.035 -10.845 616 HH TYR 83 HH TYR 83 -10.920 -6.005 -10.859 617 H GLY 84 H GLY 84 -4.417 -6.594 -12.788 618 HA2 GLY 84 1HA GLY 84 -5.198 -5.342 -15.213 619 HA3 GLY 84 2HA GLY 84 -4.038 -4.712 -14.053 620 H SER 85 H SER 85 -2.474 -7.290 -14.352 621 HA SER 85 HA SER 85 -0.509 -6.412 -16.074 622 HB2 SER 85 1HB SER 85 0.155 -8.131 -14.642 623 HB3 SER 85 2HB SER 85 -1.238 -9.136 -15.040 624 HG SER 85 HG SER 85 1.134 -8.721 -16.487 625 H ARG 86 H ARG 86 -2.540 -9.236 -16.841 626 HA ARG 86 HA ARG 86 -2.006 -9.086 -19.616 627 HB2 ARG 86 1HB ARG 86 -3.876 -10.751 -19.802 628 HB3 ARG 86 2HB ARG 86 -2.598 -11.204 -18.682 629 HG2 ARG 86 1HG ARG 86 -4.273 -11.652 -17.276 630 HG3 ARG 86 2HG ARG 86 -4.328 -9.905 -17.034 631 HD2 ARG 86 1HD ARG 86 -6.462 -10.037 -17.678 632 HD3 ARG 86 2HD ARG 86 -5.830 -10.261 -19.308 633 HE ARG 86 HE ARG 86 -6.568 -12.416 -19.237 634 HH11 ARG 86 1HH1 ARG 86 -6.298 -11.226 -15.977 635 HH12 ARG 86 2HH1 ARG 86 -6.994 -12.643 -15.263 636 HH21 ARG 86 1HH2 ARG 86 -7.487 -14.287 -18.310 637 HH22 ARG 86 2HH2 ARG 86 -7.669 -14.384 -16.591 638 H GLY 87 H GLY 87 -4.851 -8.185 -17.679 639 HA2 GLY 87 1HA GLY 87 -6.622 -6.801 -18.143 640 HA3 GLY 87 2HA GLY 87 -5.506 -5.932 -19.184 641 H HIS 88 H HIS 88 -7.643 -5.630 -20.334 642 HA HIS 88 HA HIS 88 -7.756 -7.549 -22.508 643 HB2 HIS 88 1HB HIS 88 -9.931 -7.187 -20.516 644 HB3 HIS 88 2HB HIS 88 -10.409 -7.312 -22.206 645 HD1 HIS 88 HD1 HIS 88 -8.581 -9.473 -23.240 646 HD2 HIS 88 HD2 HIS 88 -10.404 -9.652 -19.511 647 HE1 HIS 88 HE1 HIS 88 -8.637 -11.914 -22.635 648 HA PRO 89 HA PRO 89 -8.476 -3.973 -24.946 649 HB2 PRO 89 1HB PRO 89 -10.001 -4.975 -26.956 650 HB3 PRO 89 2HB PRO 89 -8.277 -5.326 -26.792 651 HG2 PRO 89 1HG PRO 89 -10.633 -6.990 -25.990 652 HG3 PRO 89 2HG PRO 89 -9.132 -7.489 -26.793 653 HD2 PRO 89 1HD PRO 89 -9.555 -7.845 -24.142 654 HD3 PRO 89 2HD PRO 89 -7.944 -7.533 -24.818 655 H GLY 90 H GLY 90 -9.728 -2.361 -24.226 656 HA2 GLY 90 1HA GLY 90 -11.650 -1.073 -24.072 657 HA3 GLY 90 2HA GLY 90 -12.566 -2.421 -24.731 658 H VAL 91 H VAL 91 -10.665 -3.437 -22.164 659 HA VAL 91 HA VAL 91 -12.844 -3.006 -20.231 660 HB VAL 91 HB VAL 91 -11.275 -5.572 -20.484 661 HG11 VAL 91 1HG1 VAL 91 -13.674 -5.979 -19.114 662 HG12 VAL 91 2HG1 VAL 91 -12.046 -5.952 -18.433 663 HG13 VAL 91 3HG1 VAL 91 -13.014 -4.477 -18.465 664 HG21 VAL 91 3HG2 VAL 91 -12.592 -5.691 -22.368 665 HG22 VAL 91 1HG2 VAL 91 -13.666 -6.396 -21.160 666 HG23 VAL 91 2HG2 VAL 91 -13.881 -4.718 -21.660 667 H ILE 92 H ILE 92 -9.502 -4.237 -20.457 668 HA ILE 92 HA ILE 92 -8.793 -2.505 -18.195 669 HB ILE 92 HB ILE 92 -7.998 -5.409 -18.441 670 HG12 ILE 92 1HG1 ILE 92 -9.737 -3.987 -16.413 671 HG13 ILE 92 2HG1 ILE 92 -10.302 -5.104 -17.651 672 HG21 ILE 92 1HG2 ILE 92 -6.211 -3.936 -17.566 673 HG22 ILE 92 2HG2 ILE 92 -7.304 -3.427 -16.280 674 HG23 ILE 92 3HG2 ILE 92 -6.786 -5.109 -16.381 675 HD11 ILE 92 3HD1 ILE 92 -9.113 -6.921 -16.605 676 HD12 ILE 92 1HD1 ILE 92 -8.425 -5.820 -15.412 677 HD13 ILE 92 2HD1 ILE 92 -10.162 -6.130 -15.428 678 HA PRO 93 HA PRO 93 -5.473 -1.414 -20.904 679 HB2 PRO 93 1HB PRO 93 -3.980 -0.045 -19.096 680 HB3 PRO 93 2HB PRO 93 -5.460 0.606 -19.809 681 HG2 PRO 93 1HG PRO 93 -5.053 -0.693 -17.143 682 HG3 PRO 93 2HG PRO 93 -5.999 0.750 -17.551 683 HD2 PRO 93 1HD PRO 93 -7.137 -1.677 -17.168 684 HD3 PRO 93 2HD PRO 93 -7.792 -0.486 -18.309 685 HA PRO 94 HA PRO 94 -2.250 -4.350 -20.298 686 HB2 PRO 94 1HB PRO 94 -0.169 -3.088 -21.500 687 HB3 PRO 94 2HB PRO 94 -1.514 -3.793 -22.403 688 HG2 PRO 94 1HG PRO 94 -1.043 -0.941 -21.626 689 HG3 PRO 94 2HG PRO 94 -1.618 -1.600 -23.169 690 HD2 PRO 94 1HD PRO 94 -3.290 -0.522 -21.332 691 HD3 PRO 94 2HD PRO 94 -3.776 -1.854 -22.400 692 H ASN 95 H ASN 95 -1.846 -4.463 -18.111 693 HA ASN 95 HA ASN 95 -0.847 -4.071 -16.096 694 HB2 ASN 95 1HB ASN 95 1.555 -3.049 -17.571 695 HB3 ASN 95 2HB ASN 95 1.480 -4.103 -16.162 696 HD21 ASN 95 2HD2 ASN 95 1.095 -3.923 -19.628 697 HD22 ASN 95 1HD2 ASN 95 1.252 -5.617 -19.928 698 H ALA 96 H ALA 96 -2.478 -2.151 -16.185 699 HA ALA 96 HA ALA 96 -0.947 0.295 -15.597 700 HB1 ALA 96 1HB ALA 96 -2.217 1.601 -16.917 701 HB2 ALA 96 2HB ALA 96 -2.543 0.091 -17.769 702 HB3 ALA 96 3HB ALA 96 -3.691 0.694 -16.575 703 H THR 97 H THR 97 -1.794 1.635 -13.957 704 HA THR 97 HA THR 97 -2.812 0.355 -11.720 705 HB THR 97 HB THR 97 -3.130 3.299 -12.328 706 HG1 THR 97 HG1 THR 97 -1.017 3.296 -12.292 707 HG21 THR 97 3HG2 THR 97 -2.767 3.360 -9.773 708 HG22 THR 97 1HG2 THR 97 -3.203 1.652 -9.820 709 HG23 THR 97 2HG2 THR 97 -4.348 2.870 -10.382 710 H LEU 98 H LEU 98 -4.795 -0.133 -10.982 711 HA LEU 98 HA LEU 98 -7.116 0.894 -12.478 712 HB2 LEU 98 1HB LEU 98 -7.091 -1.815 -11.204 713 HB3 LEU 98 2HB LEU 98 -8.154 -1.192 -12.464 714 HG LEU 98 HG LEU 98 -5.233 -1.836 -12.858 715 HD11 LEU 98 1HD1 LEU 98 -6.307 -3.719 -14.264 716 HD12 LEU 98 2HD1 LEU 98 -7.716 -3.460 -13.236 717 HD13 LEU 98 3HD1 LEU 98 -6.174 -3.924 -12.517 718 HD21 LEU 98 3HD2 LEU 98 -5.845 -0.245 -14.466 719 HD22 LEU 98 1HD2 LEU 98 -7.447 -0.950 -14.683 720 HD23 LEU 98 2HD2 LEU 98 -6.022 -1.797 -15.286 721 H THR 99 H THR 99 -8.947 1.400 -11.308 722 HA THR 99 HA THR 99 -8.689 1.261 -8.375 723 HB THR 99 HB THR 99 -10.013 3.510 -9.898 724 HG1 THR 99 HG1 THR 99 -8.155 4.623 -9.685 725 HG21 THR 99 3HG2 THR 99 -9.469 4.516 -7.479 726 HG22 THR 99 1HG2 THR 99 -9.670 2.822 -7.036 727 HG23 THR 99 2HG2 THR 99 -10.979 3.682 -7.845 728 H PHE 100 H PHE 100 -10.057 -0.359 -7.870 729 HA PHE 100 HA PHE 100 -12.735 -0.362 -9.072 730 HB2 PHE 100 1HB PHE 100 -11.099 -2.481 -7.699 731 HB3 PHE 100 2HB PHE 100 -12.837 -2.666 -7.911 732 HD1 PHE 100 HD1 PHE 100 -9.788 -1.839 -9.890 733 HD2 PHE 100 HD2 PHE 100 -13.603 -3.724 -9.801 734 HE1 PHE 100 HE1 PHE 100 -9.412 -2.699 -12.165 735 HE2 PHE 100 HE2 PHE 100 -13.234 -4.587 -12.075 736 HZ PHE 100 HZ PHE 100 -11.136 -4.076 -13.260 737 H ASP 101 H ASP 101 -14.383 0.407 -7.944 738 HA ASP 101 HA ASP 101 -14.064 1.164 -5.189 739 HB2 ASP 101 1HB ASP 101 -15.357 2.709 -6.337 740 HB3 ASP 101 2HB ASP 101 -16.217 1.469 -7.246 741 H VAL 102 H VAL 102 -14.391 -0.131 -3.517 742 HA VAL 102 HA VAL 102 -16.161 -2.460 -3.856 743 HB VAL 102 HB VAL 102 -14.930 -3.240 -1.713 744 HG11 VAL 102 1HG1 VAL 102 -13.039 -4.127 -3.115 745 HG12 VAL 102 2HG1 VAL 102 -14.656 -4.419 -3.758 746 HG13 VAL 102 3HG1 VAL 102 -13.654 -3.137 -4.438 747 HG21 VAL 102 3HG2 VAL 102 -12.801 -2.345 -1.264 748 HG22 VAL 102 1HG2 VAL 102 -12.785 -1.418 -2.764 749 HG23 VAL 102 2HG2 VAL 102 -13.857 -0.944 -1.446 750 H GLU 103 H GLU 103 -17.842 -2.801 -2.485 751 HA GLU 103 HA GLU 103 -18.207 -0.903 -0.268 752 HB2 GLU 103 1HB GLU 103 -19.607 -0.124 -2.077 753 HB3 GLU 103 2HB GLU 103 -20.271 -1.735 -2.310 754 HG2 GLU 103 1HG GLU 103 -21.290 -1.622 -0.081 755 HG3 GLU 103 2HG GLU 103 -20.658 0.012 0.109 756 H LEU 104 H LEU 104 -18.136 -2.078 1.529 757 HA LEU 104 HA LEU 104 -18.632 -4.849 1.662 758 HB2 LEU 104 1HB LEU 104 -17.364 -3.155 3.259 759 HB3 LEU 104 2HB LEU 104 -18.915 -3.168 4.095 760 HG LEU 104 HG LEU 104 -17.562 -4.750 5.199 761 HD11 LEU 104 1HD1 LEU 104 -18.849 -6.678 5.065 762 HD12 LEU 104 2HD1 LEU 104 -19.092 -6.515 3.326 763 HD13 LEU 104 3HD1 LEU 104 -19.928 -5.431 4.438 764 HD21 LEU 104 3HD2 LEU 104 -15.840 -5.744 4.216 765 HD22 LEU 104 1HD2 LEU 104 -16.334 -5.041 2.676 766 HD23 LEU 104 2HD2 LEU 104 -16.928 -6.634 3.149 767 H LEU 105 H LEU 105 -20.436 -5.997 1.998 768 HA LEU 105 HA LEU 105 -22.916 -4.508 2.555 769 HB2 LEU 105 1HB LEU 105 -22.257 -6.713 0.706 770 HB3 LEU 105 2HB LEU 105 -23.810 -6.831 1.531 771 HG LEU 105 HG LEU 105 -24.087 -5.823 -0.653 772 HD11 LEU 105 1HD1 LEU 105 -24.373 -3.636 1.388 773 HD12 LEU 105 2HD1 LEU 105 -25.422 -5.052 1.353 774 HD13 LEU 105 3HD1 LEU 105 -25.378 -3.955 -0.026 775 HD21 LEU 105 3HD2 LEU 105 -23.089 -3.473 -0.938 776 HD22 LEU 105 1HD2 LEU 105 -22.032 -4.862 -1.187 777 HD23 LEU 105 2HD2 LEU 105 -21.954 -3.955 0.323 778 H ARG 106 H ARG 106 -21.021 -7.364 3.315 779 HA ARG 106 HA ARG 106 -22.022 -7.521 5.951 780 HB2 ARG 106 1HB ARG 106 -23.205 -9.678 5.798 781 HB3 ARG 106 2HB ARG 106 -24.021 -8.411 4.892 782 HG2 ARG 106 1HG ARG 106 -23.738 -9.456 2.930 783 HG3 ARG 106 2HG ARG 106 -22.103 -9.986 3.333 784 HD2 ARG 106 1HD ARG 106 -23.555 -11.905 3.090 785 HD3 ARG 106 2HD ARG 106 -23.052 -11.742 4.772 786 HE ARG 106 HE ARG 106 -25.407 -10.441 4.739 787 HH11 ARG 106 1HH1 ARG 106 -24.435 -13.579 3.587 788 HH12 ARG 106 2HH1 ARG 106 -25.989 -14.299 3.844 789 HH21 ARG 106 1HH2 ARG 106 -27.458 -11.377 5.082 790 HH22 ARG 106 2HH2 ARG 106 -27.708 -13.046 4.694 791 H VAL 107 H VAL 107 -21.135 -9.386 7.139 792 HA VAL 107 HA VAL 107 -18.806 -10.580 5.787 793 HB VAL 107 HB VAL 107 -18.864 -9.488 8.603 794 HG11 VAL 107 1HG1 VAL 107 -16.639 -10.843 7.083 795 HG12 VAL 107 2HG1 VAL 107 -16.496 -10.107 8.681 796 HG13 VAL 107 3HG1 VAL 107 -17.527 -11.519 8.448 797 HG21 VAL 107 3HG2 VAL 107 -18.709 -7.832 6.699 798 HG22 VAL 107 1HG2 VAL 107 -17.384 -7.794 7.864 799 HG23 VAL 107 2HG2 VAL 107 -17.159 -8.573 6.297 800 H GLU 108 H GLU 108 -18.269 -12.670 6.366 801 HA GLU 108 HA GLU 108 -19.870 -14.002 8.416 802 HB2 GLU 108 1HB GLU 108 -19.875 -14.666 5.491 803 HB3 GLU 108 2HB GLU 108 -20.122 -15.935 6.682 804 HG2 GLU 108 1HG GLU 108 -21.950 -14.372 7.622 805 HG3 GLU 108 2HG GLU 108 -21.848 -13.581 6.050 Start of MODEL 15 1 H1 MET 1 H MET 1 0.407 -0.989 0.584 2 HA MET 1 HA MET 1 1.894 0.828 -1.028 3 HB2 MET 1 1HB MET 1 3.719 0.013 0.411 4 HB3 MET 1 2HB MET 1 3.343 -1.641 -0.055 5 HG2 MET 1 1HG MET 1 5.207 -0.983 -1.337 6 HG3 MET 1 2HG MET 1 3.820 -0.978 -2.424 7 HE1 MET 1 3HE MET 1 3.949 0.227 -4.063 8 HE2 MET 1 1HE MET 1 3.268 1.842 -3.866 9 HE3 MET 1 2HE MET 1 4.959 1.649 -4.328 10 H GLY 2 H GLY 2 1.168 0.497 -3.021 11 HA2 GLY 2 1HA GLY 2 0.841 -0.786 -4.976 12 HA3 GLY 2 2HA GLY 2 0.807 -2.240 -3.989 13 H VAL 3 H VAL 3 -1.099 -0.635 -2.159 14 HA VAL 3 HA VAL 3 -3.499 -0.615 -3.820 15 HB VAL 3 HB VAL 3 -3.448 -2.902 -3.044 16 HG11 VAL 3 1HG1 VAL 3 -3.320 -3.526 -0.737 17 HG12 VAL 3 2HG1 VAL 3 -1.954 -2.467 -1.093 18 HG13 VAL 3 3HG1 VAL 3 -3.356 -1.838 -0.226 19 HG21 VAL 3 3HG2 VAL 3 -5.578 -1.374 -2.932 20 HG22 VAL 3 1HG2 VAL 3 -5.619 -3.021 -2.303 21 HG23 VAL 3 2HG2 VAL 3 -5.433 -1.659 -1.198 22 H GLN 4 H GLN 4 -4.738 1.068 -3.317 23 HA GLN 4 HA GLN 4 -4.499 2.227 -0.619 24 HB2 GLN 4 1HB GLN 4 -4.130 3.449 -3.237 25 HB3 GLN 4 2HB GLN 4 -5.324 4.301 -2.267 26 HG2 GLN 4 1HG GLN 4 -3.440 5.388 -1.615 27 HG3 GLN 4 2HG GLN 4 -3.475 4.101 -0.411 28 HE21 GLN 4 2HE2 GLN 4 -1.561 3.262 -0.061 29 HE22 GLN 4 1HE2 GLN 4 -0.309 3.037 -1.230 30 H VAL 5 H VAL 5 -6.367 3.072 0.321 31 HA VAL 5 HA VAL 5 -8.884 2.353 -1.038 32 HB VAL 5 HB VAL 5 -8.555 0.830 0.796 33 HG11 VAL 5 1HG1 VAL 5 -8.679 2.584 3.050 34 HG12 VAL 5 2HG1 VAL 5 -7.449 1.387 2.639 35 HG13 VAL 5 3HG1 VAL 5 -7.313 3.038 2.032 36 HG21 VAL 5 3HG2 VAL 5 -10.827 1.860 0.374 37 HG22 VAL 5 1HG2 VAL 5 -10.587 1.143 1.967 38 HG23 VAL 5 2HG2 VAL 5 -10.518 2.894 1.769 39 H VAL 6 H VAL 6 -10.051 4.076 -1.539 40 HA VAL 6 HA VAL 6 -9.696 6.548 0.000 41 HB VAL 6 HB VAL 6 -11.128 6.213 -2.635 42 HG11 VAL 6 1HG1 VAL 6 -10.597 8.694 -2.760 43 HG12 VAL 6 2HG1 VAL 6 -11.839 8.209 -1.604 44 HG13 VAL 6 3HG1 VAL 6 -10.211 8.592 -1.043 45 HG21 VAL 6 3HG2 VAL 6 -9.010 5.682 -3.309 46 HG22 VAL 6 1HG2 VAL 6 -8.909 7.441 -3.380 47 HG23 VAL 6 2HG2 VAL 6 -8.247 6.575 -1.993 48 H THR 7 H THR 7 -11.022 6.351 1.748 49 HA THR 7 HA THR 7 -13.512 5.149 1.880 50 HB THR 7 HB THR 7 -12.906 7.633 3.462 51 HG1 THR 7 HG1 THR 7 -11.109 6.664 4.037 52 HG21 THR 7 3HG2 THR 7 -13.861 5.374 4.946 53 HG22 THR 7 1HG2 THR 7 -14.903 5.646 3.550 54 HG23 THR 7 2HG2 THR 7 -14.621 6.948 4.707 55 H LEU 8 H LEU 8 -15.331 5.570 0.828 56 HA LEU 8 HA LEU 8 -15.788 8.264 -0.226 57 HB2 LEU 8 1HB LEU 8 -17.196 5.668 -0.831 58 HB3 LEU 8 2HB LEU 8 -17.507 7.213 -1.619 59 HG LEU 8 HG LEU 8 -14.746 6.117 -1.744 60 HD11 LEU 8 1HD1 LEU 8 -16.487 4.271 -2.237 61 HD12 LEU 8 2HD1 LEU 8 -15.181 4.546 -3.389 62 HD13 LEU 8 3HD1 LEU 8 -16.793 5.183 -3.715 63 HD21 LEU 8 3HD2 LEU 8 -14.723 8.021 -2.942 64 HD22 LEU 8 1HD2 LEU 8 -16.468 8.006 -3.198 65 HD23 LEU 8 2HD2 LEU 8 -15.420 7.009 -4.208 66 H ALA 9 H ALA 9 -17.506 5.701 1.545 67 HA ALA 9 HA ALA 9 -18.997 7.760 2.983 68 HB1 ALA 9 1HB ALA 9 -20.369 7.073 1.019 69 HB2 ALA 9 2HB ALA 9 -20.406 5.438 1.679 70 HB3 ALA 9 3HB ALA 9 -21.137 6.769 2.577 71 H ALA 10 H ALA 10 -18.573 7.354 5.047 72 HA ALA 10 HA ALA 10 -17.526 5.045 6.130 73 HB1 ALA 10 1HB ALA 10 -18.277 5.909 8.319 74 HB2 ALA 10 2HB ALA 10 -17.489 7.139 7.329 75 HB3 ALA 10 3HB ALA 10 -19.246 7.121 7.480 76 H GLY 11 H GLY 11 -18.421 3.375 7.446 77 HA2 GLY 11 1HA GLY 11 -21.287 2.860 6.946 78 HA3 GLY 11 2HA GLY 11 -20.077 1.601 6.748 79 H ASP 12 H ASP 12 -20.160 0.193 8.354 80 HA ASP 12 HA ASP 12 -21.283 0.871 10.908 81 HB2 ASP 12 1HB ASP 12 -20.023 -1.647 9.819 82 HB3 ASP 12 2HB ASP 12 -20.627 -1.517 11.469 83 H GLU 13 H GLU 13 -18.099 0.621 9.553 84 HA GLU 13 HA GLU 13 -16.000 0.690 10.495 85 HB2 GLU 13 1HB GLU 13 -15.633 2.723 11.783 86 HB3 GLU 13 2HB GLU 13 -16.719 3.042 10.438 87 HG2 GLU 13 1HG GLU 13 -18.580 3.235 11.829 88 HG3 GLU 13 2HG GLU 13 -17.771 2.432 13.174 89 H ALA 14 H ALA 14 -17.476 -1.348 11.681 90 HA ALA 14 HA ALA 14 -16.206 -1.435 14.302 91 HB1 ALA 14 1HB ALA 14 -18.971 -0.932 14.019 92 HB2 ALA 14 2HB ALA 14 -18.795 -2.580 14.622 93 HB3 ALA 14 3HB ALA 14 -18.061 -1.238 15.499 94 H THR 15 H THR 15 -18.105 -3.125 11.841 95 HA THR 15 HA THR 15 -16.913 -5.670 12.692 96 HB THR 15 HB THR 15 -19.021 -5.517 10.577 97 HG1 THR 15 HG1 THR 15 -20.077 -4.354 12.087 98 HG21 THR 15 3HG2 THR 15 -18.399 -7.475 12.790 99 HG22 THR 15 1HG2 THR 15 -18.019 -7.674 11.080 100 HG23 THR 15 2HG2 THR 15 -19.700 -7.652 11.614 101 H TYR 16 H TYR 16 -15.107 -6.216 11.670 102 HA TYR 16 HA TYR 16 -14.834 -5.507 8.823 103 HB2 TYR 16 1HB TYR 16 -12.695 -5.883 10.927 104 HB3 TYR 16 2HB TYR 16 -12.371 -5.643 9.214 105 HD1 TYR 16 HD1 TYR 16 -14.066 -4.037 12.118 106 HD2 TYR 16 HD2 TYR 16 -12.124 -3.485 8.374 107 HE1 TYR 16 HE1 TYR 16 -14.118 -1.602 12.457 108 HE2 TYR 16 HE2 TYR 16 -12.169 -1.048 8.703 109 HH TYR 16 HH TYR 16 -12.723 0.405 11.605 110 HA PRO 17 HA PRO 17 -14.587 -9.756 7.750 111 HB2 PRO 17 1HB PRO 17 -12.839 -9.676 5.674 112 HB3 PRO 17 2HB PRO 17 -14.497 -9.074 5.558 113 HG2 PRO 17 1HG PRO 17 -11.956 -7.553 5.998 114 HG3 PRO 17 2HG PRO 17 -13.327 -7.160 4.944 115 HD2 PRO 17 1HD PRO 17 -12.976 -6.007 7.368 116 HD3 PRO 17 2HD PRO 17 -14.583 -6.316 6.682 117 H LYS 18 H LYS 18 -13.602 -11.309 8.863 118 HA LYS 18 HA LYS 18 -10.957 -10.980 9.921 119 HB2 LYS 18 1HB LYS 18 -13.039 -12.281 10.881 120 HB3 LYS 18 2HB LYS 18 -12.379 -13.612 9.940 121 HG2 LYS 18 1HG LYS 18 -10.360 -13.605 11.177 122 HG3 LYS 18 2HG LYS 18 -10.761 -12.069 11.949 123 HD2 LYS 18 1HD LYS 18 -12.527 -14.468 12.288 124 HD3 LYS 18 2HD LYS 18 -11.085 -14.259 13.283 125 HE2 LYS 18 1HE LYS 18 -12.605 -13.207 14.615 126 HE3 LYS 18 2HE LYS 18 -12.114 -11.842 13.614 127 HZ1 LYS 18 3HZ LYS 18 -14.214 -13.240 12.352 128 HZ2 LYS 18 1HZ LYS 18 -14.180 -11.635 12.889 129 HZ3 LYS 18 2HZ LYS 18 -14.670 -12.868 13.938 130 H ALA 19 H ALA 19 -9.097 -12.115 9.405 131 HA ALA 19 HA ALA 19 -8.646 -12.701 6.707 132 HB1 ALA 19 1HB ALA 19 -6.928 -12.077 8.439 133 HB2 ALA 19 2HB ALA 19 -6.991 -13.752 8.990 134 HB3 ALA 19 3HB ALA 19 -6.469 -13.383 7.346 135 H GLY 20 H GLY 20 -9.505 -14.326 5.590 136 HA2 GLY 20 1HA GLY 20 -9.456 -16.667 5.061 137 HA3 GLY 20 2HA GLY 20 -9.437 -17.015 6.783 138 H GLN 21 H GLN 21 -11.601 -14.648 6.633 139 HA GLN 21 HA GLN 21 -13.831 -16.523 6.565 140 HB2 GLN 21 1HB GLN 21 -13.245 -14.022 7.924 141 HB3 GLN 21 2HB GLN 21 -14.838 -14.002 7.180 142 HG2 GLN 21 1HG GLN 21 -15.497 -15.959 8.390 143 HG3 GLN 21 2HG GLN 21 -13.864 -16.173 9.018 144 HE21 GLN 21 2HE2 GLN 21 -15.892 -13.286 8.735 145 HE22 GLN 21 1HE2 GLN 21 -15.886 -12.903 10.420 146 H VAL 22 H VAL 22 -15.845 -15.920 5.479 147 HA VAL 22 HA VAL 22 -15.286 -14.874 2.822 148 HB VAL 22 HB VAL 22 -17.873 -16.040 3.851 149 HG11 VAL 22 1HG1 VAL 22 -16.927 -15.033 1.259 150 HG12 VAL 22 2HG1 VAL 22 -17.748 -16.594 1.199 151 HG13 VAL 22 3HG1 VAL 22 -18.567 -15.191 1.887 152 HG21 VAL 22 3HG2 VAL 22 -16.817 -17.991 2.314 153 HG22 VAL 22 1HG2 VAL 22 -15.351 -17.320 3.027 154 HG23 VAL 22 2HG2 VAL 22 -16.643 -17.920 4.067 155 H ALA 23 H ALA 23 -15.644 -12.826 2.313 156 HA ALA 23 HA ALA 23 -17.643 -11.314 3.864 157 HB1 ALA 23 1HB ALA 23 -16.133 -9.382 2.712 158 HB2 ALA 23 2HB ALA 23 -15.851 -10.039 4.324 159 HB3 ALA 23 3HB ALA 23 -14.932 -10.652 2.950 160 H VAL 24 H VAL 24 -19.116 -10.021 2.796 161 HA VAL 24 HA VAL 24 -19.285 -10.445 -0.116 162 HB VAL 24 HB VAL 24 -21.573 -9.783 1.739 163 HG11 VAL 24 1HG1 VAL 24 -21.415 -9.489 -0.962 164 HG12 VAL 24 2HG1 VAL 24 -22.072 -11.121 -0.821 165 HG13 VAL 24 3HG1 VAL 24 -22.908 -9.764 -0.065 166 HG21 VAL 24 3HG2 VAL 24 -21.513 -11.899 2.426 167 HG22 VAL 24 1HG2 VAL 24 -21.891 -12.381 0.772 168 HG23 VAL 24 2HG2 VAL 24 -20.211 -12.287 1.301 169 H VAL 25 H VAL 25 -18.971 -8.721 -1.347 170 HA VAL 25 HA VAL 25 -19.876 -6.097 -0.445 171 HB VAL 25 HB VAL 25 -17.849 -4.983 -0.662 172 HG11 VAL 25 1HG1 VAL 25 -16.354 -6.023 0.850 173 HG12 VAL 25 2HG1 VAL 25 -17.970 -6.567 1.304 174 HG13 VAL 25 3HG1 VAL 25 -16.901 -7.636 0.395 175 HG21 VAL 25 3HG2 VAL 25 -15.797 -6.349 -1.562 176 HG22 VAL 25 1HG2 VAL 25 -17.051 -7.315 -2.338 177 HG23 VAL 25 2HG2 VAL 25 -16.930 -5.589 -2.679 178 H HIS 26 H HIS 26 -19.321 -4.444 -2.307 179 HA HIS 26 HA HIS 26 -20.017 -5.748 -4.857 180 HB2 HIS 26 1HB HIS 26 -21.192 -3.438 -3.449 181 HB3 HIS 26 2HB HIS 26 -20.924 -3.199 -5.174 182 HD1 HIS 26 HD1 HIS 26 -22.170 -4.911 -6.786 183 HD2 HIS 26 HD2 HIS 26 -23.356 -4.997 -2.805 184 HE1 HIS 26 HE1 HIS 26 -24.362 -6.142 -6.764 185 H TYR 27 H TYR 27 -18.556 -5.532 -6.407 186 HA TYR 27 HA TYR 27 -16.528 -3.426 -6.152 187 HB2 TYR 27 1HB TYR 27 -15.130 -4.775 -7.584 188 HB3 TYR 27 2HB TYR 27 -15.768 -5.796 -6.300 189 HD1 TYR 27 HD2 TYR 27 -15.977 -5.001 -9.888 190 HD2 TYR 27 HD1 TYR 27 -17.250 -7.619 -6.785 191 HE1 TYR 27 HE2 TYR 27 -16.838 -6.571 -11.574 192 HE2 TYR 27 HE1 TYR 27 -18.114 -9.197 -8.462 193 HH TYR 27 HH TYR 27 -18.330 -8.370 -11.823 194 H THR 28 H THR 28 -16.232 -1.892 -7.681 195 HA THR 28 HA THR 28 -17.871 -2.041 -10.121 196 HB THR 28 HB THR 28 -17.540 0.380 -8.340 197 HG1 THR 28 HG1 THR 28 -19.203 -0.802 -7.548 198 HG21 THR 28 3HG2 THR 28 -18.034 0.191 -11.168 199 HG22 THR 28 1HG2 THR 28 -17.850 1.627 -10.162 200 HG23 THR 28 2HG2 THR 28 -19.436 0.878 -10.348 201 H GLY 29 H GLY 29 -16.751 -1.709 -11.933 202 HA2 GLY 29 1HA GLY 29 -13.963 -1.270 -11.910 203 HA3 GLY 29 2HA GLY 29 -14.995 -1.233 -13.332 204 H THR 30 H THR 30 -12.709 0.487 -12.339 205 HA THR 30 HA THR 30 -13.739 2.968 -13.280 206 HB THR 30 HB THR 30 -12.691 3.701 -10.719 207 HG1 THR 30 HG1 THR 30 -15.089 2.238 -10.437 208 HG21 THR 30 3HG2 THR 30 -14.040 5.317 -11.564 209 HG22 THR 30 1HG2 THR 30 -15.269 4.460 -10.636 210 HG23 THR 30 2HG2 THR 30 -15.103 4.162 -12.367 211 H LEU 31 H LEU 31 -12.124 4.324 -13.945 212 HA LEU 31 HA LEU 31 -9.399 3.286 -13.667 213 HB2 LEU 31 1HB LEU 31 -10.749 5.092 -15.638 214 HB3 LEU 31 2HB LEU 31 -8.992 5.061 -15.504 215 HG LEU 31 HG LEU 31 -10.758 2.722 -16.226 216 HD11 LEU 31 1HD1 LEU 31 -10.015 2.967 -18.433 217 HD12 LEU 31 2HD1 LEU 31 -8.744 4.099 -17.974 218 HD13 LEU 31 3HD1 LEU 31 -10.434 4.601 -17.918 219 HD21 LEU 31 3HD2 LEU 31 -7.869 2.977 -15.578 220 HD22 LEU 31 1HD2 LEU 31 -8.337 1.888 -16.884 221 HD23 LEU 31 2HD2 LEU 31 -8.989 1.651 -15.262 222 H ALA 32 H ALA 32 -7.628 4.889 -13.477 223 HA ALA 32 HA ALA 32 -7.935 6.484 -11.192 224 HB1 ALA 32 1HB ALA 32 -5.686 7.499 -12.227 225 HB2 ALA 32 2HB ALA 32 -5.752 5.932 -11.419 226 HB3 ALA 32 3HB ALA 32 -5.798 6.019 -13.180 227 H ASP 33 H ASP 33 -8.638 7.125 -14.479 228 HA ASP 33 HA ASP 33 -8.450 10.003 -14.239 229 HB2 ASP 33 1HB ASP 33 -9.597 8.290 -16.455 230 HB3 ASP 33 2HB ASP 33 -9.325 10.029 -16.540 231 H GLY 34 H GLY 34 -10.736 7.595 -13.525 232 HA2 GLY 34 1HA GLY 34 -12.654 8.270 -12.189 233 HA3 GLY 34 2HA GLY 34 -12.817 9.669 -13.242 234 H LYS 35 H LYS 35 -12.154 7.679 -15.520 235 HA LYS 35 HA LYS 35 -14.703 7.367 -16.533 236 HB2 LYS 35 1HB LYS 35 -12.038 6.341 -17.164 237 HB3 LYS 35 2HB LYS 35 -13.326 5.241 -17.636 238 HG2 LYS 35 1HG LYS 35 -13.221 8.147 -18.411 239 HG3 LYS 35 2HG LYS 35 -12.625 6.824 -19.416 240 HD2 LYS 35 1HD LYS 35 -15.368 6.492 -18.407 241 HD3 LYS 35 2HD LYS 35 -15.142 7.828 -19.537 242 HE2 LYS 35 1HE LYS 35 -14.037 6.233 -21.097 243 HE3 LYS 35 2HE LYS 35 -14.452 4.927 -19.988 244 HZ1 LYS 35 3HZ LYS 35 -16.188 6.494 -21.747 245 HZ2 LYS 35 1HZ LYS 35 -16.834 5.955 -20.279 246 HZ3 LYS 35 2HZ LYS 35 -16.220 4.840 -21.392 247 H VAL 36 H VAL 36 -16.353 6.039 -16.141 248 HA VAL 36 HA VAL 36 -16.109 4.035 -14.080 249 HB VAL 36 HB VAL 36 -18.104 5.558 -14.341 250 HG11 VAL 36 1HG1 VAL 36 -19.817 4.945 -15.952 251 HG12 VAL 36 2HG1 VAL 36 -18.315 5.360 -16.782 252 HG13 VAL 36 3HG1 VAL 36 -18.783 3.669 -16.593 253 HG21 VAL 36 3HG2 VAL 36 -19.418 2.991 -14.410 254 HG22 VAL 36 1HG2 VAL 36 -17.923 2.914 -13.477 255 HG23 VAL 36 2HG2 VAL 36 -19.168 4.088 -13.052 256 H PHE 37 H PHE 37 -16.433 1.829 -14.294 257 HA PHE 37 HA PHE 37 -16.483 0.776 -17.042 258 HB2 PHE 37 1HB PHE 37 -14.526 0.270 -14.864 259 HB3 PHE 37 2HB PHE 37 -15.012 -1.115 -15.837 260 HD1 PHE 37 HD1 PHE 37 -13.842 2.401 -16.236 261 HD2 PHE 37 HD2 PHE 37 -13.850 -1.570 -17.768 262 HE1 PHE 37 HE1 PHE 37 -12.245 3.075 -17.982 263 HE2 PHE 37 HE2 PHE 37 -12.252 -0.903 -19.515 264 HZ PHE 37 HZ PHE 37 -11.446 1.422 -19.624 265 H ASP 38 H ASP 38 -16.613 -1.853 -16.658 266 HA ASP 38 HA ASP 38 -19.255 -2.357 -15.978 267 HB2 ASP 38 1HB ASP 38 -17.460 -3.799 -17.261 268 HB3 ASP 38 2HB ASP 38 -17.220 -4.528 -15.675 269 H SER 39 H SER 39 -20.313 -2.661 -14.127 270 HA SER 39 HA SER 39 -18.736 -3.155 -11.686 271 HB2 SER 39 1HB SER 39 -21.311 -1.726 -11.391 272 HB3 SER 39 2HB SER 39 -19.779 -1.476 -10.555 273 HG SER 39 HG SER 39 -20.295 -0.715 -13.241 274 H SER 40 H SER 40 -19.543 -4.603 -10.215 275 HA SER 40 HA SER 40 -21.293 -6.605 -11.185 276 HB2 SER 40 1HB SER 40 -20.063 -7.665 -9.627 277 HB3 SER 40 2HB SER 40 -19.659 -6.156 -8.809 278 HG SER 40 HG SER 40 -20.982 -6.829 -7.330 279 H ARG 41 H ARG 41 -21.780 -3.718 -9.331 280 HA ARG 41 HA ARG 41 -24.198 -4.321 -8.063 281 HB2 ARG 41 1HB ARG 41 -23.349 -1.636 -9.162 282 HB3 ARG 41 2HB ARG 41 -24.530 -1.922 -7.892 283 HG2 ARG 41 1HG ARG 41 -22.880 -2.597 -6.361 284 HG3 ARG 41 2HG ARG 41 -21.666 -2.774 -7.629 285 HD2 ARG 41 1HD ARG 41 -21.235 -0.755 -6.383 286 HD3 ARG 41 2HD ARG 41 -21.761 -0.337 -8.012 287 HE ARG 41 HE ARG 41 -23.879 -0.397 -6.059 288 HH11 ARG 41 1HH1 ARG 41 -21.418 1.534 -7.587 289 HH12 ARG 41 2HH1 ARG 41 -22.199 3.041 -7.238 290 HH21 ARG 41 1HH2 ARG 41 -24.918 1.580 -5.595 291 HH22 ARG 41 2HH2 ARG 41 -24.190 3.066 -6.104 292 H THR 42 H THR 42 -23.522 -3.151 -11.321 293 HA THR 42 HA THR 42 -26.134 -2.546 -12.112 294 HB THR 42 HB THR 42 -25.368 -2.729 -14.398 295 HG1 THR 42 HG1 THR 42 -23.848 -4.100 -14.933 296 HG21 THR 42 3HG2 THR 42 -23.234 -1.654 -12.553 297 HG22 THR 42 1HG2 THR 42 -24.601 -0.766 -13.224 298 HG23 THR 42 2HG2 THR 42 -23.312 -1.334 -14.285 299 H ARG 43 H ARG 43 -24.558 -5.587 -11.649 300 HA ARG 43 HA ARG 43 -26.550 -7.060 -13.171 301 HB2 ARG 43 1HB ARG 43 -24.042 -7.641 -12.993 302 HB3 ARG 43 2HB ARG 43 -24.443 -8.278 -11.403 303 HG2 ARG 43 1HG ARG 43 -24.715 -10.188 -12.560 304 HG3 ARG 43 2HG ARG 43 -26.319 -9.516 -12.861 305 HD2 ARG 43 1HD ARG 43 -25.733 -8.795 -15.015 306 HD3 ARG 43 2HD ARG 43 -24.008 -8.963 -14.694 307 HE ARG 43 HE ARG 43 -25.043 -11.491 -14.436 308 HH11 ARG 43 1HH1 ARG 43 -24.939 -9.069 -16.935 309 HH12 ARG 43 2HH1 ARG 43 -24.953 -10.219 -18.231 310 HH21 ARG 43 1HH2 ARG 43 -25.062 -13.015 -16.134 311 HH22 ARG 43 2HH2 ARG 43 -25.024 -12.463 -17.774 312 H GLY 44 H GLY 44 -26.656 -5.576 -10.316 313 HA2 GLY 44 1HA GLY 44 -27.853 -5.841 -8.373 314 HA3 GLY 44 2HA GLY 44 -28.939 -6.806 -9.362 315 H LYS 45 H LYS 45 -25.575 -7.521 -8.552 316 HA LYS 45 HA LYS 45 -26.375 -9.558 -6.646 317 HB2 LYS 45 1HB LYS 45 -26.551 -10.697 -8.829 318 HB3 LYS 45 2HB LYS 45 -24.876 -10.282 -9.172 319 HG2 LYS 45 1HG LYS 45 -24.244 -11.583 -7.116 320 HG3 LYS 45 2HG LYS 45 -25.915 -12.150 -7.058 321 HD2 LYS 45 1HD LYS 45 -25.686 -13.437 -8.943 322 HD3 LYS 45 2HD LYS 45 -24.414 -12.415 -9.616 323 HE2 LYS 45 1HE LYS 45 -23.425 -14.493 -8.975 324 HE3 LYS 45 2HE LYS 45 -22.892 -13.265 -7.828 325 HZ1 LYS 45 3HZ LYS 45 -25.134 -15.149 -7.341 326 HZ2 LYS 45 1HZ LYS 45 -24.473 -14.054 -6.233 327 HZ3 LYS 45 2HZ LYS 45 -23.558 -15.371 -6.770 328 HA PRO 46 HA PRO 46 -22.561 -7.821 -5.071 329 HB2 PRO 46 1HB PRO 46 -22.715 -9.044 -2.652 330 HB3 PRO 46 2HB PRO 46 -23.655 -7.605 -3.062 331 HG2 PRO 46 1HG PRO 46 -24.494 -10.478 -3.059 332 HG3 PRO 46 2HG PRO 46 -25.373 -9.056 -2.468 333 HD2 PRO 46 1HD PRO 46 -25.895 -10.197 -4.868 334 HD3 PRO 46 2HD PRO 46 -26.073 -8.454 -4.581 335 H PHE 47 H PHE 47 -20.485 -8.592 -4.667 336 HA PHE 47 HA PHE 47 -20.066 -11.408 -5.383 337 HB2 PHE 47 1HB PHE 47 -18.990 -9.402 -6.655 338 HB3 PHE 47 2HB PHE 47 -17.878 -9.356 -5.291 339 HD1 PHE 47 HD1 PHE 47 -19.060 -11.356 -8.136 340 HD2 PHE 47 HD2 PHE 47 -16.197 -11.021 -5.005 341 HE1 PHE 47 HE1 PHE 47 -17.715 -13.132 -9.181 342 HE2 PHE 47 HE2 PHE 47 -14.846 -12.795 -6.045 343 HZ PHE 47 HZ PHE 47 -15.604 -13.852 -8.137 344 H ARG 48 H ARG 48 -19.447 -12.803 -3.877 345 HA ARG 48 HA ARG 48 -18.223 -11.750 -1.412 346 HB2 ARG 48 1HB ARG 48 -19.242 -13.622 -0.215 347 HB3 ARG 48 2HB ARG 48 -20.467 -12.656 -1.026 348 HG2 ARG 48 1HG ARG 48 -21.074 -14.331 -2.401 349 HG3 ARG 48 2HG ARG 48 -19.426 -14.944 -2.558 350 HD2 ARG 48 1HD ARG 48 -19.637 -15.807 -0.206 351 HD3 ARG 48 2HD ARG 48 -21.346 -15.382 -0.279 352 HE ARG 48 HE ARG 48 -21.709 -17.246 -1.549 353 HH11 ARG 48 1HH1 ARG 48 -18.309 -16.497 -1.593 354 HH12 ARG 48 2HH1 ARG 48 -17.869 -17.944 -2.438 355 HH21 ARG 48 1HH2 ARG 48 -21.142 -19.154 -2.662 356 HH22 ARG 48 2HH2 ARG 48 -19.481 -19.454 -3.046 357 H PHE 49 H PHE 49 -16.505 -12.877 -0.497 358 HA PHE 49 HA PHE 49 -15.530 -15.331 -1.592 359 HB2 PHE 49 1HB PHE 49 -13.438 -14.487 -2.520 360 HB3 PHE 49 2HB PHE 49 -14.807 -13.766 -3.360 361 HD1 PHE 49 HD2 PHE 49 -12.080 -13.158 -0.982 362 HD2 PHE 49 HD1 PHE 49 -15.251 -11.422 -3.228 363 HE1 PHE 49 HE2 PHE 49 -11.181 -10.917 -0.511 364 HE2 PHE 49 HE1 PHE 49 -14.357 -9.177 -2.761 365 HZ PHE 49 HZ PHE 49 -12.320 -8.923 -1.400 366 H THR 50 H THR 50 -13.347 -15.889 -0.631 367 HA THR 50 HA THR 50 -13.416 -15.208 2.185 368 HB THR 50 HB THR 50 -11.611 -17.129 0.701 369 HG1 THR 50 HG1 THR 50 -13.696 -17.907 0.643 370 HG21 THR 50 3HG2 THR 50 -11.549 -18.046 3.181 371 HG22 THR 50 1HG2 THR 50 -11.868 -16.355 3.565 372 HG23 THR 50 2HG2 THR 50 -10.433 -16.793 2.639 373 H VAL 51 H VAL 51 -12.440 -13.388 2.799 374 HA VAL 51 HA VAL 51 -10.398 -12.075 1.373 375 HB VAL 51 HB VAL 51 -10.985 -11.763 4.318 376 HG11 VAL 51 1HG1 VAL 51 -9.007 -10.598 3.770 377 HG12 VAL 51 2HG1 VAL 51 -9.684 -10.007 2.251 378 HG13 VAL 51 3HG1 VAL 51 -10.287 -9.385 3.787 379 HG21 VAL 51 3HG2 VAL 51 -12.404 -10.665 1.907 380 HG22 VAL 51 1HG2 VAL 51 -13.085 -11.519 3.293 381 HG23 VAL 51 2HG2 VAL 51 -12.479 -9.873 3.481 382 H GLY 52 H GLY 52 -8.497 -13.056 1.001 383 HA2 GLY 52 1HA GLY 52 -6.274 -13.251 2.087 384 HA3 GLY 52 2HA GLY 52 -7.081 -14.188 3.336 385 H ARG 53 H ARG 53 -8.718 -15.324 0.935 386 HA ARG 53 HA ARG 53 -7.118 -17.682 0.660 387 HB2 ARG 53 1HB ARG 53 -9.834 -16.816 -0.157 388 HB3 ARG 53 2HB ARG 53 -9.091 -18.083 -1.125 389 HG2 ARG 53 1HG ARG 53 -9.280 -18.244 1.867 390 HG3 ARG 53 2HG ARG 53 -10.556 -18.827 0.795 391 HD2 ARG 53 1HD ARG 53 -8.593 -20.108 -0.360 392 HD3 ARG 53 2HD ARG 53 -7.779 -19.856 1.184 393 HE ARG 53 HE ARG 53 -10.314 -20.897 1.707 394 HH11 ARG 53 1HH1 ARG 53 -7.328 -21.866 0.202 395 HH12 ARG 53 2HH1 ARG 53 -7.538 -23.547 0.566 396 HH21 ARG 53 1HH2 ARG 53 -10.603 -23.108 2.192 397 HH22 ARG 53 2HH2 ARG 53 -9.402 -24.252 1.697 398 H GLY 54 H GLY 54 -7.145 -18.648 -1.739 399 HA2 GLY 54 1HA GLY 54 -5.622 -16.696 -3.324 400 HA3 GLY 54 2HA GLY 54 -5.506 -18.444 -3.464 401 H GLU 55 H GLU 55 -8.602 -16.863 -3.274 402 HA GLU 55 HA GLU 55 -9.154 -17.739 -6.015 403 HB2 GLU 55 1HB GLU 55 -11.135 -16.790 -3.943 404 HB3 GLU 55 2HB GLU 55 -11.485 -17.640 -5.442 405 HG2 GLU 55 1HG GLU 55 -10.510 -19.651 -4.618 406 HG3 GLU 55 2HG GLU 55 -9.886 -18.826 -3.191 407 H VAL 56 H VAL 56 -8.744 -14.912 -4.095 408 HA VAL 56 HA VAL 56 -9.756 -13.231 -6.293 409 HB VAL 56 HB VAL 56 -9.759 -11.387 -4.567 410 HG11 VAL 56 1HG1 VAL 56 -11.931 -11.829 -4.002 411 HG12 VAL 56 2HG1 VAL 56 -11.710 -13.004 -5.300 412 HG13 VAL 56 3HG1 VAL 56 -11.604 -13.518 -3.616 413 HG21 VAL 56 3HG2 VAL 56 -10.020 -13.172 -2.312 414 HG22 VAL 56 1HG2 VAL 56 -8.416 -13.286 -3.037 415 HG23 VAL 56 2HG2 VAL 56 -9.029 -11.725 -2.491 416 H ILE 57 H ILE 57 -8.567 -10.922 -6.031 417 HA ILE 57 HA ILE 57 -5.747 -11.528 -6.502 418 HB ILE 57 HB ILE 57 -5.655 -9.209 -7.432 419 HG12 ILE 57 1HG1 ILE 57 -8.630 -9.154 -7.545 420 HG13 ILE 57 2HG1 ILE 57 -7.868 -8.688 -6.028 421 HG21 ILE 57 1HG2 ILE 57 -5.894 -10.435 -9.276 422 HG22 ILE 57 2HG2 ILE 57 -7.055 -11.510 -8.498 423 HG23 ILE 57 3HG2 ILE 57 -7.603 -10.003 -9.232 424 HD11 ILE 57 3HD1 ILE 57 -6.481 -7.069 -7.378 425 HD12 ILE 57 1HD1 ILE 57 -7.568 -7.409 -8.724 426 HD13 ILE 57 2HD1 ILE 57 -8.200 -6.703 -7.236 427 H ARG 58 H ARG 58 -4.087 -10.073 -5.688 428 HA ARG 58 HA ARG 58 -4.091 -9.775 -2.949 429 HB2 ARG 58 1HB ARG 58 -2.518 -8.141 -4.949 430 HB3 ARG 58 2HB ARG 58 -2.137 -8.314 -3.241 431 HG2 ARG 58 1HG ARG 58 -2.370 -10.781 -4.875 432 HG3 ARG 58 2HG ARG 58 -0.943 -9.765 -5.088 433 HD2 ARG 58 1HD ARG 58 -0.336 -9.986 -2.808 434 HD3 ARG 58 2HD ARG 58 -1.896 -10.695 -2.391 435 HE ARG 58 HE ARG 58 0.390 -12.063 -3.410 436 HH11 ARG 58 1HH1 ARG 58 -3.091 -12.067 -3.363 437 HH12 ARG 58 2HH1 ARG 58 -3.223 -13.771 -3.648 438 HH21 ARG 58 1HH2 ARG 58 0.230 -14.307 -3.785 439 HH22 ARG 58 2HH2 ARG 58 -1.333 -15.044 -3.887 440 H GLY 59 H GLY 59 -4.804 -7.308 -5.408 441 HA2 GLY 59 1HA GLY 59 -5.117 -5.082 -3.826 442 HA3 GLY 59 2HA GLY 59 -6.070 -5.392 -5.270 443 H TRP 60 H TRP 60 -7.840 -7.165 -4.815 444 HA TRP 60 HA TRP 60 -9.749 -6.034 -3.156 445 HB2 TRP 60 1HB TRP 60 -9.449 -8.716 -4.443 446 HB3 TRP 60 2HB TRP 60 -10.740 -8.479 -3.269 447 HD1 TRP 60 HD1 TRP 60 -10.145 -5.347 -5.154 448 HE1 TRP 60 HE1 TRP 60 -11.944 -5.036 -6.968 449 HE3 TRP 60 HE3 TRP 60 -12.200 -10.027 -5.071 450 HZ2 TRP 60 HZ2 TRP 60 -13.967 -6.571 -8.200 451 HZ3 TRP 60 HZ3 TRP 60 -14.064 -10.524 -6.598 452 HH2 TRP 60 HH2 TRP 60 -14.928 -8.831 -8.129 453 H ASP 61 H ASP 61 -7.513 -8.698 -2.494 454 HA ASP 61 HA ASP 61 -8.440 -9.566 -0.055 455 HB2 ASP 61 1HB ASP 61 -6.339 -10.252 -1.520 456 HB3 ASP 61 2HB ASP 61 -5.493 -9.216 -0.375 457 H GLU 62 H GLU 62 -5.827 -7.163 -0.437 458 HA GLU 62 HA GLU 62 -5.872 -6.345 2.259 459 HB2 GLU 62 1HB GLU 62 -4.761 -5.122 -0.253 460 HB3 GLU 62 2HB GLU 62 -4.667 -4.277 1.286 461 HG2 GLU 62 1HG GLU 62 -3.561 -6.388 2.186 462 HG3 GLU 62 2HG GLU 62 -3.388 -6.871 0.500 463 H GLY 63 H GLY 63 -7.311 -4.914 -0.660 464 HA2 GLY 63 1HA GLY 63 -8.364 -2.596 0.395 465 HA3 GLY 63 2HA GLY 63 -9.117 -3.513 -0.901 466 H VAL 64 H VAL 64 -10.256 -5.594 -0.008 467 HA VAL 64 HA VAL 64 -12.421 -4.737 1.556 468 HB VAL 64 HB VAL 64 -12.424 -6.665 -0.068 469 HG11 VAL 64 1HG1 VAL 64 -11.475 -8.686 0.399 470 HG12 VAL 64 2HG1 VAL 64 -10.330 -7.632 1.233 471 HG13 VAL 64 3HG1 VAL 64 -11.592 -8.462 2.145 472 HG21 VAL 64 3HG2 VAL 64 -14.293 -6.215 1.450 473 HG22 VAL 64 1HG2 VAL 64 -14.081 -7.945 1.182 474 HG23 VAL 64 2HG2 VAL 64 -13.527 -7.211 2.688 475 H ALA 65 H ALA 65 -9.427 -6.347 2.399 476 HA ALA 65 HA ALA 65 -10.075 -7.253 4.961 477 HB1 ALA 65 1HB ALA 65 -7.497 -6.747 5.305 478 HB2 ALA 65 2HB ALA 65 -8.060 -8.082 4.299 479 HB3 ALA 65 3HB ALA 65 -7.555 -6.566 3.552 480 H GLN 66 H GLN 66 -9.033 -4.080 3.835 481 HA GLN 66 HA GLN 66 -9.103 -3.046 6.569 482 HB2 GLN 66 1HB GLN 66 -8.307 -1.637 4.016 483 HB3 GLN 66 2HB GLN 66 -8.093 -1.031 5.653 484 HG2 GLN 66 1HG GLN 66 -6.445 -2.650 6.140 485 HG3 GLN 66 2HG GLN 66 -6.817 -3.569 4.683 486 HE21 GLN 66 2HE2 GLN 66 -6.575 -2.233 2.620 487 HE22 GLN 66 1HE2 GLN 66 -5.147 -1.268 2.510 488 H MET 67 H MET 67 -11.498 -3.840 4.940 489 HA MET 67 HA MET 67 -12.877 -1.239 4.894 490 HB2 MET 67 1HB MET 67 -13.338 -3.784 3.358 491 HB3 MET 67 2HB MET 67 -14.601 -2.570 3.514 492 HG2 MET 67 1HG MET 67 -11.903 -1.756 2.550 493 HG3 MET 67 2HG MET 67 -13.008 -2.579 1.452 494 HE1 MET 67 3HE MET 67 -14.885 -1.264 0.097 495 HE2 MET 67 1HE MET 67 -15.653 -1.820 1.584 496 HE3 MET 67 2HE MET 67 -15.930 -0.175 1.011 497 H SER 68 H SER 68 -15.109 -1.209 5.635 498 HA SER 68 HA SER 68 -15.629 -3.239 7.709 499 HB2 SER 68 1HB SER 68 -16.874 -1.306 8.877 500 HB3 SER 68 2HB SER 68 -15.111 -1.286 8.919 501 HG SER 68 HG SER 68 -16.569 0.657 8.147 502 H VAL 69 H VAL 69 -17.783 -3.844 8.068 503 HA VAL 69 HA VAL 69 -19.398 -4.170 5.849 504 HB VAL 69 HB VAL 69 -20.249 -4.119 8.748 505 HG11 VAL 69 1HG1 VAL 69 -22.047 -5.707 7.787 506 HG12 VAL 69 2HG1 VAL 69 -22.253 -3.966 7.583 507 HG13 VAL 69 3HG1 VAL 69 -21.663 -4.949 6.242 508 HG21 VAL 69 3HG2 VAL 69 -20.167 -6.676 8.283 509 HG22 VAL 69 1HG2 VAL 69 -19.089 -6.219 6.964 510 HG23 VAL 69 2HG2 VAL 69 -18.670 -5.808 8.627 511 H GLY 70 H GLY 70 -20.700 -2.871 4.734 512 HA2 GLY 70 1HA GLY 70 -22.274 -1.210 4.331 513 HA3 GLY 70 2HA GLY 70 -22.199 -0.768 6.031 514 H GLN 71 H GLN 71 -19.143 -0.985 4.590 515 HA GLN 71 HA GLN 71 -19.011 1.947 4.427 516 HB2 GLN 71 1HB GLN 71 -17.519 0.518 6.023 517 HB3 GLN 71 2HB GLN 71 -16.595 0.179 4.566 518 HG2 GLN 71 1HG GLN 71 -16.800 2.865 4.405 519 HG3 GLN 71 2HG GLN 71 -16.792 2.639 6.154 520 HE21 GLN 71 2HE2 GLN 71 -14.987 2.353 3.215 521 HE22 GLN 71 1HE2 GLN 71 -13.450 2.048 3.942 522 H ARG 72 H ARG 72 -18.416 2.948 2.585 523 HA ARG 72 HA ARG 72 -17.726 1.234 0.289 524 HB2 ARG 72 1HB ARG 72 -19.977 2.494 0.314 525 HB3 ARG 72 2HB ARG 72 -19.014 3.942 0.053 526 HG2 ARG 72 1HG ARG 72 -18.267 3.196 -2.047 527 HG3 ARG 72 2HG ARG 72 -18.815 1.546 -1.742 528 HD2 ARG 72 1HD ARG 72 -20.998 2.042 -2.194 529 HD3 ARG 72 2HD ARG 72 -20.839 3.717 -1.667 530 HE ARG 72 HE ARG 72 -19.396 3.093 -4.081 531 HH11 ARG 72 1HH1 ARG 72 -22.429 4.132 -2.724 532 HH12 ARG 72 2HH1 ARG 72 -22.959 4.916 -4.175 533 HH21 ARG 72 1HH2 ARG 72 -20.082 4.123 -5.997 534 HH22 ARG 72 2HH2 ARG 72 -21.624 4.910 -6.036 535 H ALA 73 H ALA 73 -15.962 1.724 -0.905 536 HA ALA 73 HA ALA 73 -14.702 4.306 -0.797 537 HB1 ALA 73 1HB ALA 73 -12.608 3.613 0.180 538 HB2 ALA 73 2HB ALA 73 -13.921 3.282 1.311 539 HB3 ALA 73 3HB ALA 73 -13.208 1.966 0.378 540 H LYS 74 H LYS 74 -12.677 4.340 -2.124 541 HA LYS 74 HA LYS 74 -13.057 2.631 -4.460 542 HB2 LYS 74 1HB LYS 74 -11.127 4.932 -4.237 543 HB3 LYS 74 2HB LYS 74 -11.831 4.237 -5.692 544 HG2 LYS 74 1HG LYS 74 -14.049 5.075 -4.942 545 HG3 LYS 74 2HG LYS 74 -13.234 5.892 -3.606 546 HD2 LYS 74 1HD LYS 74 -12.252 6.359 -6.380 547 HD3 LYS 74 2HD LYS 74 -13.747 7.145 -5.868 548 HE2 LYS 74 1HE LYS 74 -12.587 8.150 -3.978 549 HE3 LYS 74 2HE LYS 74 -11.097 7.327 -4.437 550 HZ1 LYS 74 3HZ LYS 74 -11.309 9.715 -5.147 551 HZ2 LYS 74 1HZ LYS 74 -12.495 9.212 -6.243 552 HZ3 LYS 74 2HZ LYS 74 -10.916 8.621 -6.375 553 H LEU 75 H LEU 75 -11.777 0.962 -4.895 554 HA LEU 75 HA LEU 75 -9.353 0.598 -3.298 555 HB2 LEU 75 1HB LEU 75 -11.340 -1.127 -3.802 556 HB3 LEU 75 2HB LEU 75 -10.280 -1.509 -5.157 557 HG LEU 75 HG LEU 75 -9.584 -1.690 -2.227 558 HD11 LEU 75 1HD1 LEU 75 -10.774 -3.525 -4.091 559 HD12 LEU 75 2HD1 LEU 75 -10.461 -3.722 -2.367 560 HD13 LEU 75 3HD1 LEU 75 -9.211 -4.129 -3.542 561 HD21 LEU 75 3HD2 LEU 75 -7.613 -1.024 -3.369 562 HD22 LEU 75 1HD2 LEU 75 -7.933 -2.130 -4.705 563 HD23 LEU 75 2HD2 LEU 75 -7.493 -2.766 -3.120 564 H VAL 76 H VAL 76 -7.813 1.826 -4.309 565 HA VAL 76 HA VAL 76 -7.338 1.368 -7.168 566 HB VAL 76 HB VAL 76 -7.451 3.694 -6.640 567 HG11 VAL 76 1HG1 VAL 76 -5.285 4.223 -4.951 568 HG12 VAL 76 2HG1 VAL 76 -7.002 4.372 -4.571 569 HG13 VAL 76 3HG1 VAL 76 -6.145 2.872 -4.213 570 HG21 VAL 76 3HG2 VAL 76 -5.630 2.871 -8.181 571 HG22 VAL 76 1HG2 VAL 76 -5.373 4.468 -7.479 572 HG23 VAL 76 2HG2 VAL 76 -4.511 3.072 -6.833 573 H CYS 77 H CYS 77 -6.111 -0.401 -7.444 574 HA CYS 77 HA CYS 77 -3.579 -0.537 -5.947 575 HB2 CYS 77 1HB CYS 77 -3.727 -2.967 -5.931 576 HB3 CYS 77 2HB CYS 77 -5.150 -2.274 -5.161 577 HG CYS 77 HG CYS 77 -5.384 -3.034 -8.449 578 H SER 78 H SER 78 -1.879 -1.790 -7.078 579 HA SER 78 HA SER 78 -1.740 -0.955 -9.832 580 HB2 SER 78 1HB SER 78 0.477 -2.591 -9.251 581 HB3 SER 78 2HB SER 78 0.425 -0.828 -9.270 582 HG SER 78 HG SER 78 1.075 -1.323 -7.252 583 HA PRO 79 HA PRO 79 -2.713 -4.687 -11.920 584 HB2 PRO 79 1HB PRO 79 -0.757 -4.903 -13.790 585 HB3 PRO 79 2HB PRO 79 -2.039 -3.689 -13.876 586 HG2 PRO 79 1HG PRO 79 0.780 -3.401 -12.912 587 HG3 PRO 79 2HG PRO 79 -0.169 -2.308 -13.936 588 HD2 PRO 79 1HD PRO 79 0.198 -1.872 -11.289 589 HD3 PRO 79 2HD PRO 79 -1.283 -1.389 -12.140 590 H ASP 80 H ASP 80 0.569 -4.429 -10.698 591 HA ASP 80 HA ASP 80 1.358 -7.105 -11.059 592 HB2 ASP 80 1HB ASP 80 3.021 -6.611 -9.251 593 HB3 ASP 80 2HB ASP 80 3.015 -5.435 -10.563 594 H TYR 81 H TYR 81 -0.713 -5.590 -8.738 595 HA TYR 81 HA TYR 81 -0.763 -8.044 -7.118 596 HB2 TYR 81 1HB TYR 81 -1.168 -5.179 -6.518 597 HB3 TYR 81 2HB TYR 81 -2.264 -6.286 -5.698 598 HD1 TYR 81 HD2 TYR 81 1.258 -6.991 -6.602 599 HD2 TYR 81 HD1 TYR 81 -1.478 -6.063 -3.479 600 HE1 TYR 81 HE2 TYR 81 3.002 -7.477 -4.938 601 HE2 TYR 81 HE1 TYR 81 0.259 -6.546 -1.806 602 HH TYR 81 HH TYR 81 2.332 -7.261 -1.457 603 H ALA 82 H ALA 82 -2.177 -7.247 -9.755 604 HA ALA 82 HA ALA 82 -4.702 -8.487 -9.047 605 HB1 ALA 82 1HB ALA 82 -4.724 -5.843 -10.488 606 HB2 ALA 82 2HB ALA 82 -6.112 -6.788 -9.950 607 HB3 ALA 82 3HB ALA 82 -5.052 -6.027 -8.765 608 H TYR 83 H TYR 83 -6.065 -8.094 -11.408 609 HA TYR 83 HA TYR 83 -4.460 -9.706 -13.226 610 HB2 TYR 83 1HB TYR 83 -6.694 -9.851 -14.476 611 HB3 TYR 83 2HB TYR 83 -6.604 -10.624 -12.898 612 HD1 TYR 83 HD2 TYR 83 -7.421 -7.237 -14.269 613 HD2 TYR 83 HD1 TYR 83 -8.439 -10.340 -11.542 614 HE1 TYR 83 HE2 TYR 83 -9.372 -5.936 -13.527 615 HE2 TYR 83 HE1 TYR 83 -10.394 -9.049 -10.793 616 HH TYR 83 HH TYR 83 -11.842 -7.279 -11.581 617 H GLY 84 H GLY 84 -4.324 -6.650 -12.782 618 HA2 GLY 84 1HA GLY 84 -5.148 -5.446 -15.223 619 HA3 GLY 84 2HA GLY 84 -4.026 -4.759 -14.057 620 H SER 85 H SER 85 -2.352 -7.268 -14.316 621 HA SER 85 HA SER 85 -0.388 -6.342 -15.992 622 HB2 SER 85 1HB SER 85 0.325 -8.808 -16.138 623 HB3 SER 85 2HB SER 85 0.201 -8.099 -14.528 624 HG SER 85 HG SER 85 -1.312 -9.477 -14.078 625 H ARG 86 H ARG 86 -2.350 -9.182 -16.870 626 HA ARG 86 HA ARG 86 -1.768 -8.930 -19.634 627 HB2 ARG 86 1HB ARG 86 -2.280 -11.103 -18.840 628 HB3 ARG 86 2HB ARG 86 -3.776 -10.560 -18.092 629 HG2 ARG 86 1HG ARG 86 -4.107 -11.884 -20.157 630 HG3 ARG 86 2HG ARG 86 -4.815 -10.269 -20.227 631 HD2 ARG 86 1HD ARG 86 -3.466 -9.625 -21.900 632 HD3 ARG 86 2HD ARG 86 -2.054 -10.398 -21.181 633 HE ARG 86 HE ARG 86 -3.609 -12.451 -22.139 634 HH11 ARG 86 1HH1 ARG 86 -2.064 -9.630 -23.473 635 HH12 ARG 86 2HH1 ARG 86 -1.821 -10.341 -25.034 636 HH21 ARG 86 1HH2 ARG 86 -3.294 -13.398 -24.190 637 HH22 ARG 86 2HH2 ARG 86 -2.522 -12.484 -25.441 638 H GLY 87 H GLY 87 -4.859 -8.519 -17.887 639 HA2 GLY 87 1HA GLY 87 -6.654 -7.149 -18.307 640 HA3 GLY 87 2HA GLY 87 -5.545 -6.117 -19.197 641 H HIS 88 H HIS 88 -7.524 -5.815 -20.528 642 HA HIS 88 HA HIS 88 -7.398 -7.583 -22.818 643 HB2 HIS 88 1HB HIS 88 -9.685 -7.544 -20.946 644 HB3 HIS 88 2HB HIS 88 -10.102 -7.440 -22.654 645 HD1 HIS 88 HD1 HIS 88 -8.076 -9.367 -23.864 646 HD2 HIS 88 HD2 HIS 88 -10.187 -10.148 -20.372 647 HE1 HIS 88 HE1 HIS 88 -8.084 -11.871 -23.629 648 HA PRO 89 HA PRO 89 -8.163 -3.894 -25.063 649 HB2 PRO 89 1HB PRO 89 -9.555 -4.810 -27.206 650 HB3 PRO 89 2HB PRO 89 -7.828 -5.112 -26.981 651 HG2 PRO 89 1HG PRO 89 -10.156 -6.905 -26.406 652 HG3 PRO 89 2HG PRO 89 -8.602 -7.297 -27.165 653 HD2 PRO 89 1HD PRO 89 -9.134 -7.845 -24.567 654 HD3 PRO 89 2HD PRO 89 -7.505 -7.434 -25.142 655 H GLY 90 H GLY 90 -9.507 -2.373 -24.312 656 HA2 GLY 90 1HA GLY 90 -11.492 -1.165 -24.222 657 HA3 GLY 90 2HA GLY 90 -12.329 -2.543 -24.921 658 H VAL 91 H VAL 91 -10.457 -3.558 -22.349 659 HA VAL 91 HA VAL 91 -12.675 -3.225 -20.441 660 HB VAL 91 HB VAL 91 -11.041 -5.748 -20.725 661 HG11 VAL 91 1HG1 VAL 91 -12.393 -6.682 -19.082 662 HG12 VAL 91 2HG1 VAL 91 -12.129 -5.040 -18.491 663 HG13 VAL 91 3HG1 VAL 91 -13.649 -5.461 -19.281 664 HG21 VAL 91 3HG2 VAL 91 -12.456 -5.411 -22.698 665 HG22 VAL 91 1HG2 VAL 91 -13.022 -6.763 -21.717 666 HG23 VAL 91 2HG2 VAL 91 -13.863 -5.214 -21.654 667 H ILE 92 H ILE 92 -9.314 -4.417 -20.617 668 HA ILE 92 HA ILE 92 -8.659 -2.689 -18.337 669 HB ILE 92 HB ILE 92 -7.886 -5.601 -18.553 670 HG12 ILE 92 1HG1 ILE 92 -9.607 -4.154 -16.526 671 HG13 ILE 92 2HG1 ILE 92 -10.205 -5.218 -17.795 672 HG21 ILE 92 1HG2 ILE 92 -7.194 -3.618 -16.391 673 HG22 ILE 92 2HG2 ILE 92 -6.693 -5.305 -16.484 674 HG23 ILE 92 3HG2 ILE 92 -6.091 -4.141 -17.664 675 HD11 ILE 92 3HD1 ILE 92 -8.318 -6.098 -15.628 676 HD12 ILE 92 1HD1 ILE 92 -10.072 -6.250 -15.535 677 HD13 ILE 92 2HD1 ILE 92 -9.176 -7.112 -16.787 678 HA PRO 93 HA PRO 93 -5.266 -1.620 -20.963 679 HB2 PRO 93 1HB PRO 93 -3.811 -0.255 -19.122 680 HB3 PRO 93 2HB PRO 93 -5.271 0.402 -19.872 681 HG2 PRO 93 1HG PRO 93 -4.936 -0.894 -17.194 682 HG3 PRO 93 2HG PRO 93 -5.865 0.553 -17.629 683 HD2 PRO 93 1HD PRO 93 -7.023 -1.868 -17.269 684 HD3 PRO 93 2HD PRO 93 -7.644 -0.676 -18.428 685 HA PRO 94 HA PRO 94 -2.063 -4.558 -20.276 686 HB2 PRO 94 1HB PRO 94 0.061 -3.290 -21.392 687 HB3 PRO 94 2HB PRO 94 -1.254 -3.984 -22.348 688 HG2 PRO 94 1HG PRO 94 -0.803 -1.140 -21.528 689 HG3 PRO 94 2HG PRO 94 -1.326 -1.783 -23.095 690 HD2 PRO 94 1HD PRO 94 -3.058 -0.718 -21.307 691 HD3 PRO 94 2HD PRO 94 -3.510 -2.039 -22.404 692 H ASN 95 H ASN 95 -1.715 -4.710 -18.086 693 HA ASN 95 HA ASN 95 -0.784 -4.343 -16.034 694 HB2 ASN 95 1HB ASN 95 1.661 -3.277 -17.396 695 HB3 ASN 95 2HB ASN 95 1.538 -4.381 -16.029 696 HD21 ASN 95 2HD2 ASN 95 1.301 -4.077 -19.497 697 HD22 ASN 95 1HD2 ASN 95 1.468 -5.759 -19.851 698 H ALA 96 H ALA 96 -2.424 -2.430 -16.146 699 HA ALA 96 HA ALA 96 -0.927 0.013 -15.468 700 HB1 ALA 96 1HB ALA 96 -3.630 0.456 -16.509 701 HB2 ALA 96 2HB ALA 96 -2.126 1.317 -16.842 702 HB3 ALA 96 3HB ALA 96 -2.486 -0.187 -17.689 703 H THR 97 H THR 97 -1.796 1.292 -13.809 704 HA THR 97 HA THR 97 -2.930 -0.043 -11.656 705 HB THR 97 HB THR 97 -3.241 2.925 -12.094 706 HG1 THR 97 HG1 THR 97 -1.129 2.942 -12.238 707 HG21 THR 97 3HG2 THR 97 -2.793 1.274 -9.604 708 HG22 THR 97 1HG2 THR 97 -4.333 1.964 -10.113 709 HG23 THR 97 2HG2 THR 97 -2.996 3.024 -9.667 710 H LEU 98 H LEU 98 -4.984 -0.168 -10.789 711 HA LEU 98 HA LEU 98 -7.199 0.866 -12.414 712 HB2 LEU 98 1HB LEU 98 -7.135 -1.910 -11.249 713 HB3 LEU 98 2HB LEU 98 -8.393 -1.210 -12.265 714 HG LEU 98 HG LEU 98 -5.577 -1.781 -13.184 715 HD11 LEU 98 1HD1 LEU 98 -6.630 -3.647 -14.434 716 HD12 LEU 98 2HD1 LEU 98 -8.116 -3.368 -13.527 717 HD13 LEU 98 3HD1 LEU 98 -6.650 -3.868 -12.684 718 HD21 LEU 98 3HD2 LEU 98 -7.025 0.038 -14.298 719 HD22 LEU 98 1HD2 LEU 98 -7.982 -1.312 -14.909 720 HD23 LEU 98 2HD2 LEU 98 -6.271 -1.185 -15.322 721 H THR 99 H THR 99 -9.109 1.309 -11.286 722 HA THR 99 HA THR 99 -8.893 1.190 -8.348 723 HB THR 99 HB THR 99 -10.128 3.447 -9.938 724 HG1 THR 99 HG1 THR 99 -8.295 4.571 -9.494 725 HG21 THR 99 3HG2 THR 99 -9.973 2.785 -7.040 726 HG22 THR 99 1HG2 THR 99 -11.273 3.547 -7.954 727 HG23 THR 99 2HG2 THR 99 -9.841 4.477 -7.516 728 H PHE 100 H PHE 100 -10.274 -0.427 -7.867 729 HA PHE 100 HA PHE 100 -12.925 -0.435 -9.123 730 HB2 PHE 100 1HB PHE 100 -11.508 -2.561 -7.504 731 HB3 PHE 100 2HB PHE 100 -13.125 -2.725 -8.180 732 HD1 PHE 100 HD1 PHE 100 -9.548 -2.447 -8.988 733 HD2 PHE 100 HD2 PHE 100 -13.459 -3.209 -10.484 734 HE1 PHE 100 HE1 PHE 100 -8.578 -3.283 -11.089 735 HE2 PHE 100 HE2 PHE 100 -12.495 -4.046 -12.587 736 HZ PHE 100 HZ PHE 100 -10.052 -4.085 -12.891 737 H ASP 101 H ASP 101 -14.503 0.533 -8.051 738 HA ASP 101 HA ASP 101 -14.288 1.327 -5.336 739 HB2 ASP 101 1HB ASP 101 -16.237 1.613 -7.511 740 HB3 ASP 101 2HB ASP 101 -16.967 1.528 -5.910 741 H VAL 102 H VAL 102 -14.447 0.029 -3.641 742 HA VAL 102 HA VAL 102 -16.093 -2.393 -3.839 743 HB VAL 102 HB VAL 102 -13.983 -1.651 -1.807 744 HG11 VAL 102 1HG1 VAL 102 -14.988 -3.166 -0.516 745 HG12 VAL 102 2HG1 VAL 102 -16.041 -3.702 -1.827 746 HG13 VAL 102 3HG1 VAL 102 -14.417 -4.373 -1.668 747 HG21 VAL 102 3HG2 VAL 102 -13.116 -2.134 -4.071 748 HG22 VAL 102 1HG2 VAL 102 -12.612 -3.331 -2.877 749 HG23 VAL 102 2HG2 VAL 102 -13.907 -3.709 -4.013 750 H GLU 103 H GLU 103 -17.819 -2.753 -2.542 751 HA GLU 103 HA GLU 103 -18.410 -0.771 -0.452 752 HB2 GLU 103 1HB GLU 103 -19.782 -0.121 -2.298 753 HB3 GLU 103 2HB GLU 103 -20.267 -1.783 -2.603 754 HG2 GLU 103 1HG GLU 103 -22.091 -0.664 -1.574 755 HG3 GLU 103 2HG GLU 103 -21.413 -1.787 -0.397 756 H LEU 104 H LEU 104 -18.137 -1.975 1.336 757 HA LEU 104 HA LEU 104 -18.688 -4.736 1.533 758 HB2 LEU 104 1HB LEU 104 -17.268 -3.066 3.020 759 HB3 LEU 104 2HB LEU 104 -18.760 -3.017 3.956 760 HG LEU 104 HG LEU 104 -17.532 -4.649 5.039 761 HD11 LEU 104 1HD1 LEU 104 -19.793 -5.434 4.304 762 HD12 LEU 104 2HD1 LEU 104 -18.637 -6.720 4.653 763 HD13 LEU 104 3HD1 LEU 104 -18.996 -6.288 2.981 764 HD21 LEU 104 3HD2 LEU 104 -15.686 -5.448 4.106 765 HD22 LEU 104 1HD2 LEU 104 -16.209 -4.883 2.519 766 HD23 LEU 104 2HD2 LEU 104 -16.674 -6.489 3.081 767 H LEU 105 H LEU 105 -20.527 -5.802 1.873 768 HA LEU 105 HA LEU 105 -22.894 -4.255 2.698 769 HB2 LEU 105 1HB LEU 105 -22.474 -6.371 0.676 770 HB3 LEU 105 2HB LEU 105 -23.980 -6.440 1.589 771 HG LEU 105 HG LEU 105 -24.370 -4.042 0.865 772 HD11 LEU 105 1HD1 LEU 105 -23.178 -3.226 -1.052 773 HD12 LEU 105 2HD1 LEU 105 -22.227 -4.708 -1.146 774 HD13 LEU 105 3HD1 LEU 105 -22.015 -3.610 0.217 775 HD21 LEU 105 3HD2 LEU 105 -25.072 -4.749 -1.441 776 HD22 LEU 105 1HD2 LEU 105 -25.651 -5.778 -0.131 777 HD23 LEU 105 2HD2 LEU 105 -24.291 -6.300 -1.127 778 H ARG 106 H ARG 106 -21.390 -7.472 2.885 779 HA ARG 106 HA ARG 106 -22.430 -7.734 5.607 780 HB2 ARG 106 1HB ARG 106 -22.708 -9.904 3.519 781 HB3 ARG 106 2HB ARG 106 -23.187 -10.019 5.207 782 HG2 ARG 106 1HG ARG 106 -25.212 -9.443 4.479 783 HG3 ARG 106 2HG ARG 106 -24.557 -7.808 4.376 784 HD2 ARG 106 1HD ARG 106 -23.835 -8.381 2.024 785 HD3 ARG 106 2HD ARG 106 -24.802 -9.848 2.177 786 HE ARG 106 HE ARG 106 -25.763 -7.219 1.674 787 HH11 ARG 106 1HH1 ARG 106 -26.548 -10.207 3.279 788 HH12 ARG 106 2HH1 ARG 106 -28.260 -9.960 3.182 789 HH21 ARG 106 1HH2 ARG 106 -28.015 -6.883 1.540 790 HH22 ARG 106 2HH2 ARG 106 -29.093 -8.070 2.192 791 H VAL 107 H VAL 107 -21.387 -9.556 6.785 792 HA VAL 107 HA VAL 107 -18.760 -10.295 5.713 793 HB VAL 107 HB VAL 107 -18.442 -8.291 7.129 794 HG11 VAL 107 1HG1 VAL 107 -19.177 -9.930 9.522 795 HG12 VAL 107 2HG1 VAL 107 -19.027 -8.178 9.368 796 HG13 VAL 107 3HG1 VAL 107 -20.408 -9.013 8.656 797 HG21 VAL 107 3HG2 VAL 107 -17.287 -10.633 8.598 798 HG22 VAL 107 1HG2 VAL 107 -16.809 -10.280 6.938 799 HG23 VAL 107 2HG2 VAL 107 -16.539 -9.085 8.207 800 H GLU 108 H GLU 108 -18.186 -12.344 6.142 801 HA GLU 108 HA GLU 108 -19.495 -13.773 8.336 802 HB2 GLU 108 1HB GLU 108 -19.430 -14.753 5.476 803 HB3 GLU 108 2HB GLU 108 -19.957 -15.704 6.857 804 HG2 GLU 108 1HG GLU 108 -21.256 -13.089 6.206 805 HG3 GLU 108 2HG GLU 108 -21.727 -14.573 5.380 Start of MODEL 16 1 H1 MET 1 H MET 1 2.928 -1.906 0.469 2 HA MET 1 HA MET 1 1.406 0.470 -0.381 3 HB2 MET 1 1HB MET 1 4.199 -0.410 -1.103 4 HB3 MET 1 2HB MET 1 3.317 0.794 -2.032 5 HG2 MET 1 1HG MET 1 3.036 1.968 0.272 6 HG3 MET 1 2HG MET 1 4.408 0.964 0.736 7 HE1 MET 1 3HE MET 1 4.376 4.649 -1.916 8 HE2 MET 1 1HE MET 1 3.401 3.289 -2.474 9 HE3 MET 1 2HE MET 1 3.092 4.004 -0.892 10 H GLY 2 H GLY 2 1.369 0.553 -2.916 11 HA2 GLY 2 1HA GLY 2 1.161 -0.687 -4.955 12 HA3 GLY 2 2HA GLY 2 0.903 -2.141 -4.002 13 H VAL 3 H VAL 3 -0.945 -0.369 -2.273 14 HA VAL 3 HA VAL 3 -3.212 -0.103 -4.100 15 HB VAL 3 HB VAL 3 -3.457 -2.365 -3.290 16 HG11 VAL 3 1HG1 VAL 3 -2.618 -1.156 -0.760 17 HG12 VAL 3 2HG1 VAL 3 -3.957 -2.295 -0.608 18 HG13 VAL 3 3HG1 VAL 3 -2.438 -2.810 -1.343 19 HG21 VAL 3 3HG2 VAL 3 -5.671 -2.244 -2.629 20 HG22 VAL 3 1HG2 VAL 3 -5.399 -0.826 -1.616 21 HG23 VAL 3 2HG2 VAL 3 -5.423 -0.665 -3.372 22 H GLN 4 H GLN 4 -4.743 1.386 -3.461 23 HA GLN 4 HA GLN 4 -4.285 2.751 -0.898 24 HB2 GLN 4 1HB GLN 4 -3.960 3.826 -3.560 25 HB3 GLN 4 2HB GLN 4 -5.206 4.706 -2.684 26 HG2 GLN 4 1HG GLN 4 -3.533 5.902 -1.842 27 HG3 GLN 4 2HG GLN 4 -3.217 4.501 -0.820 28 HE21 GLN 4 2HE2 GLN 4 -1.786 2.822 -1.848 29 HE22 GLN 4 1HE2 GLN 4 -0.421 3.399 -2.735 30 H VAL 5 H VAL 5 -6.079 3.276 0.229 31 HA VAL 5 HA VAL 5 -8.663 2.581 -0.995 32 HB VAL 5 HB VAL 5 -8.149 1.243 0.961 33 HG11 VAL 5 1HG1 VAL 5 -7.065 2.043 2.727 34 HG12 VAL 5 2HG1 VAL 5 -7.002 3.616 1.930 35 HG13 VAL 5 3HG1 VAL 5 -8.335 3.230 3.020 36 HG21 VAL 5 3HG2 VAL 5 -10.488 1.966 0.539 37 HG22 VAL 5 1HG2 VAL 5 -10.151 1.630 2.237 38 HG23 VAL 5 2HG2 VAL 5 -10.242 3.297 1.669 39 H VAL 6 H VAL 6 -10.067 4.149 -1.412 40 HA VAL 6 HA VAL 6 -9.676 6.763 -0.108 41 HB VAL 6 HB VAL 6 -11.056 6.240 -2.742 42 HG11 VAL 6 1HG1 VAL 6 -10.191 8.772 -1.352 43 HG12 VAL 6 2HG1 VAL 6 -10.763 8.695 -3.020 44 HG13 VAL 6 3HG1 VAL 6 -11.841 8.254 -1.696 45 HG21 VAL 6 3HG2 VAL 6 -8.223 7.045 -2.130 46 HG22 VAL 6 1HG2 VAL 6 -8.788 5.688 -3.105 47 HG23 VAL 6 2HG2 VAL 6 -8.982 7.339 -3.694 48 H THR 7 H THR 7 -11.001 6.521 1.658 49 HA THR 7 HA THR 7 -13.482 5.301 1.780 50 HB THR 7 HB THR 7 -12.920 7.804 3.346 51 HG1 THR 7 HG1 THR 7 -11.849 5.222 3.906 52 HG21 THR 7 3HG2 THR 7 -13.840 5.564 4.863 53 HG22 THR 7 1HG2 THR 7 -14.868 5.755 3.443 54 HG23 THR 7 2HG2 THR 7 -14.649 7.102 4.561 55 H LEU 8 H LEU 8 -15.342 5.710 0.799 56 HA LEU 8 HA LEU 8 -15.806 8.391 -0.301 57 HB2 LEU 8 1HB LEU 8 -17.169 5.775 -0.923 58 HB3 LEU 8 2HB LEU 8 -17.496 7.317 -1.712 59 HG LEU 8 HG LEU 8 -14.718 6.260 -1.812 60 HD11 LEU 8 1HD1 LEU 8 -15.113 4.675 -3.444 61 HD12 LEU 8 2HD1 LEU 8 -16.715 5.307 -3.821 62 HD13 LEU 8 3HD1 LEU 8 -16.453 4.401 -2.331 63 HD21 LEU 8 3HD2 LEU 8 -16.464 8.108 -3.306 64 HD22 LEU 8 1HD2 LEU 8 -15.343 7.150 -4.273 65 HD23 LEU 8 2HD2 LEU 8 -14.731 8.187 -2.984 66 H ALA 9 H ALA 9 -17.495 5.802 1.458 67 HA ALA 9 HA ALA 9 -19.031 7.836 2.884 68 HB1 ALA 9 1HB ALA 9 -20.513 5.483 1.782 69 HB2 ALA 9 2HB ALA 9 -21.135 7.037 2.339 70 HB3 ALA 9 3HB ALA 9 -20.277 6.930 0.802 71 H ALA 10 H ALA 10 -18.500 7.423 4.930 72 HA ALA 10 HA ALA 10 -17.507 5.074 5.987 73 HB1 ALA 10 1HB ALA 10 -17.478 7.318 7.078 74 HB2 ALA 10 2HB ALA 10 -19.168 7.067 7.518 75 HB3 ALA 10 3HB ALA 10 -17.923 5.993 8.153 76 H GLY 11 H GLY 11 -18.407 3.403 7.254 77 HA2 GLY 11 1HA GLY 11 -21.311 3.017 6.864 78 HA3 GLY 11 2HA GLY 11 -20.153 1.710 6.670 79 H ASP 12 H ASP 12 -20.176 0.345 8.313 80 HA ASP 12 HA ASP 12 -21.266 1.098 10.868 81 HB2 ASP 12 1HB ASP 12 -21.398 -1.201 9.609 82 HB3 ASP 12 2HB ASP 12 -19.850 -1.500 10.395 83 H GLU 13 H GLU 13 -18.082 0.457 9.527 84 HA GLU 13 HA GLU 13 -15.979 0.647 10.385 85 HB2 GLU 13 1HB GLU 13 -17.490 2.849 11.755 86 HB3 GLU 13 2HB GLU 13 -15.793 2.572 12.126 87 HG2 GLU 13 1HG GLU 13 -15.547 2.652 9.512 88 HG3 GLU 13 2HG GLU 13 -17.053 3.562 9.624 89 H ALA 14 H ALA 14 -17.776 -1.276 11.654 90 HA ALA 14 HA ALA 14 -16.310 -1.568 14.178 91 HB1 ALA 14 1HB ALA 14 -19.081 -2.501 14.323 92 HB2 ALA 14 2HB ALA 14 -18.118 -1.607 15.501 93 HB3 ALA 14 3HB ALA 14 -18.910 -0.751 14.178 94 H THR 15 H THR 15 -18.349 -3.076 11.715 95 HA THR 15 HA THR 15 -17.359 -5.721 12.485 96 HB THR 15 HB THR 15 -19.401 -5.110 10.348 97 HG1 THR 15 HG1 THR 15 -20.055 -4.312 12.441 98 HG21 THR 15 3HG2 THR 15 -20.007 -7.387 10.516 99 HG22 THR 15 1HG2 THR 15 -19.089 -7.604 12.005 100 HG23 THR 15 2HG2 THR 15 -18.244 -7.376 10.473 101 H TYR 16 H TYR 16 -15.514 -6.338 11.574 102 HA TYR 16 HA TYR 16 -15.044 -5.635 8.750 103 HB2 TYR 16 1HB TYR 16 -13.015 -6.013 10.961 104 HB3 TYR 16 2HB TYR 16 -12.617 -5.751 9.266 105 HD1 TYR 16 HD1 TYR 16 -14.355 -4.188 12.160 106 HD2 TYR 16 HD2 TYR 16 -12.417 -3.579 8.422 107 HE1 TYR 16 HE1 TYR 16 -14.422 -1.757 12.528 108 HE2 TYR 16 HE2 TYR 16 -12.477 -1.146 8.780 109 HH TYR 16 HH TYR 16 -13.039 0.270 11.698 110 HA PRO 17 HA PRO 17 -14.783 -9.907 7.777 111 HB2 PRO 17 1HB PRO 17 -12.931 -9.881 5.793 112 HB3 PRO 17 2HB PRO 17 -14.575 -9.270 5.580 113 HG2 PRO 17 1HG PRO 17 -12.048 -7.759 6.120 114 HG3 PRO 17 2HG PRO 17 -13.360 -7.377 4.989 115 HD2 PRO 17 1HD PRO 17 -13.124 -6.178 7.405 116 HD3 PRO 17 2HD PRO 17 -14.697 -6.490 6.643 117 H LYS 18 H LYS 18 -13.769 -11.627 8.615 118 HA LYS 18 HA LYS 18 -11.233 -11.249 9.962 119 HB2 LYS 18 1HB LYS 18 -13.323 -12.574 10.797 120 HB3 LYS 18 2HB LYS 18 -12.678 -13.872 9.800 121 HG2 LYS 18 1HG LYS 18 -10.533 -13.671 11.060 122 HG3 LYS 18 2HG LYS 18 -11.343 -12.532 12.139 123 HD2 LYS 18 1HD LYS 18 -13.086 -14.366 12.484 124 HD3 LYS 18 2HD LYS 18 -11.922 -15.452 11.722 125 HE2 LYS 18 1HE LYS 18 -11.352 -13.751 14.146 126 HE3 LYS 18 2HE LYS 18 -11.814 -15.451 14.203 127 HZ1 LYS 18 3HZ LYS 18 -9.781 -15.629 12.553 128 HZ2 LYS 18 1HZ LYS 18 -9.573 -15.672 14.232 129 HZ3 LYS 18 2HZ LYS 18 -9.289 -14.238 13.382 130 H ALA 19 H ALA 19 -9.316 -12.255 9.479 131 HA ALA 19 HA ALA 19 -8.736 -12.816 6.800 132 HB1 ALA 19 1HB ALA 19 -7.259 -13.319 9.359 133 HB2 ALA 19 2HB ALA 19 -6.608 -13.846 7.807 134 HB3 ALA 19 3HB ALA 19 -6.924 -12.135 8.096 135 H GLY 20 H GLY 20 -9.413 -14.490 5.637 136 HA2 GLY 20 1HA GLY 20 -9.251 -16.822 5.119 137 HA3 GLY 20 2HA GLY 20 -9.284 -17.170 6.841 138 H GLN 21 H GLN 21 -11.554 -14.954 6.715 139 HA GLN 21 HA GLN 21 -13.681 -16.929 6.487 140 HB2 GLN 21 1HB GLN 21 -13.402 -14.240 7.736 141 HB3 GLN 21 2HB GLN 21 -15.011 -14.751 7.243 142 HG2 GLN 21 1HG GLN 21 -14.306 -16.941 8.557 143 HG3 GLN 21 2HG GLN 21 -13.258 -15.793 9.390 144 HE21 GLN 21 2HE2 GLN 21 -14.792 -13.551 9.454 145 HE22 GLN 21 1HE2 GLN 21 -16.205 -13.825 10.408 146 H VAL 22 H VAL 22 -15.777 -16.159 5.480 147 HA VAL 22 HA VAL 22 -15.167 -15.121 2.820 148 HB VAL 22 HB VAL 22 -17.708 -16.385 3.859 149 HG11 VAL 22 1HG1 VAL 22 -16.928 -15.205 1.253 150 HG12 VAL 22 2HG1 VAL 22 -17.888 -16.686 1.225 151 HG13 VAL 22 3HG1 VAL 22 -18.499 -15.252 2.052 152 HG21 VAL 22 3HG2 VAL 22 -15.296 -17.490 2.473 153 HG22 VAL 22 1HG2 VAL 22 -16.169 -18.119 3.870 154 HG23 VAL 22 2HG2 VAL 22 -16.875 -18.246 2.258 155 H ALA 23 H ALA 23 -15.496 -13.056 2.363 156 HA ALA 23 HA ALA 23 -17.495 -11.562 3.929 157 HB1 ALA 23 1HB ALA 23 -14.909 -10.976 3.844 158 HB2 ALA 23 2HB ALA 23 -15.412 -10.119 2.387 159 HB3 ALA 23 3HB ALA 23 -16.150 -9.727 3.940 160 H VAL 24 H VAL 24 -18.930 -10.186 2.879 161 HA VAL 24 HA VAL 24 -19.147 -10.607 -0.031 162 HB VAL 24 HB VAL 24 -21.411 -9.915 1.841 163 HG11 VAL 24 1HG1 VAL 24 -22.012 -9.264 -0.322 164 HG12 VAL 24 2HG1 VAL 24 -21.230 -10.663 -1.060 165 HG13 VAL 24 3HG1 VAL 24 -22.723 -10.867 -0.142 166 HG21 VAL 24 3HG2 VAL 24 -21.834 -12.493 0.958 167 HG22 VAL 24 1HG2 VAL 24 -20.109 -12.464 1.323 168 HG23 VAL 24 2HG2 VAL 24 -21.281 -12.025 2.566 169 H VAL 25 H VAL 25 -18.833 -8.879 -1.257 170 HA VAL 25 HA VAL 25 -19.685 -6.249 -0.324 171 HB VAL 25 HB VAL 25 -17.630 -5.156 -0.651 172 HG11 VAL 25 1HG1 VAL 25 -17.845 -6.595 1.422 173 HG12 VAL 25 2HG1 VAL 25 -16.773 -7.744 0.620 174 HG13 VAL 25 3HG1 VAL 25 -16.210 -6.110 0.976 175 HG21 VAL 25 3HG2 VAL 25 -16.979 -7.543 -2.254 176 HG22 VAL 25 1HG2 VAL 25 -16.553 -5.850 -2.508 177 HG23 VAL 25 2HG2 VAL 25 -15.637 -6.827 -1.361 178 H HIS 26 H HIS 26 -19.217 -4.586 -2.160 179 HA HIS 26 HA HIS 26 -19.934 -5.863 -4.717 180 HB2 HIS 26 1HB HIS 26 -21.106 -3.614 -3.249 181 HB3 HIS 26 2HB HIS 26 -20.786 -3.255 -4.943 182 HD1 HIS 26 HD1 HIS 26 -21.810 -5.196 -6.639 183 HD2 HIS 26 HD2 HIS 26 -23.483 -4.836 -2.853 184 HE1 HIS 26 HE1 HIS 26 -24.057 -6.315 -6.787 185 H TYR 27 H TYR 27 -18.538 -5.612 -6.326 186 HA TYR 27 HA TYR 27 -16.449 -3.568 -6.064 187 HB2 TYR 27 1HB TYR 27 -15.168 -4.902 -7.655 188 HB3 TYR 27 2HB TYR 27 -15.699 -5.904 -6.309 189 HD1 TYR 27 HD2 TYR 27 -16.384 -5.061 -9.850 190 HD2 TYR 27 HD1 TYR 27 -17.053 -7.808 -6.670 191 HE1 TYR 27 HE2 TYR 27 -17.396 -6.644 -11.438 192 HE2 TYR 27 HE1 TYR 27 -18.066 -9.399 -8.250 193 HH TYR 27 HH TYR 27 -18.807 -8.519 -11.522 194 H THR 28 H THR 28 -16.040 -2.079 -7.654 195 HA THR 28 HA THR 28 -17.802 -2.068 -10.004 196 HB THR 28 HB THR 28 -17.396 0.219 -8.078 197 HG1 THR 28 HG1 THR 28 -19.182 -0.935 -7.527 198 HG21 THR 28 3HG2 THR 28 -18.044 0.242 -10.971 199 HG22 THR 28 1HG2 THR 28 -17.240 1.460 -9.981 200 HG23 THR 28 2HG2 THR 28 -18.996 1.299 -9.929 201 H GLY 29 H GLY 29 -16.660 -1.854 -11.811 202 HA2 GLY 29 1HA GLY 29 -13.872 -1.386 -11.814 203 HA3 GLY 29 2HA GLY 29 -14.907 -1.434 -13.233 204 H THR 30 H THR 30 -12.645 0.359 -12.411 205 HA THR 30 HA THR 30 -13.711 2.773 -13.446 206 HB THR 30 HB THR 30 -12.694 3.699 -10.952 207 HG1 THR 30 HG1 THR 30 -13.931 2.658 -9.489 208 HG21 THR 30 3HG2 THR 30 -14.385 4.683 -12.640 209 HG22 THR 30 1HG2 THR 30 -14.643 4.983 -10.922 210 HG23 THR 30 2HG2 THR 30 -15.586 3.745 -11.752 211 H LEU 31 H LEU 31 -12.111 4.177 -14.108 212 HA LEU 31 HA LEU 31 -9.378 3.163 -13.831 213 HB2 LEU 31 1HB LEU 31 -10.751 4.938 -15.813 214 HB3 LEU 31 2HB LEU 31 -8.993 4.928 -15.684 215 HG LEU 31 HG LEU 31 -10.732 2.560 -16.376 216 HD11 LEU 31 1HD1 LEU 31 -8.834 4.158 -18.088 217 HD12 LEU 31 2HD1 LEU 31 -10.593 4.258 -18.150 218 HD13 LEU 31 3HD1 LEU 31 -9.780 2.757 -18.591 219 HD21 LEU 31 3HD2 LEU 31 -8.982 1.412 -15.570 220 HD22 LEU 31 1HD2 LEU 31 -7.923 2.823 -15.577 221 HD23 LEU 31 2HD2 LEU 31 -8.183 1.908 -17.063 222 H ALA 32 H ALA 32 -7.616 4.738 -13.603 223 HA ALA 32 HA ALA 32 -7.926 6.360 -11.350 224 HB1 ALA 32 1HB ALA 32 -5.690 7.389 -12.410 225 HB2 ALA 32 2HB ALA 32 -5.739 5.833 -11.580 226 HB3 ALA 32 3HB ALA 32 -5.796 5.895 -13.342 227 H ASP 33 H ASP 33 -8.574 6.997 -14.665 228 HA ASP 33 HA ASP 33 -8.455 9.876 -14.400 229 HB2 ASP 33 1HB ASP 33 -9.641 8.281 -16.675 230 HB3 ASP 33 2HB ASP 33 -9.095 9.955 -16.710 231 H GLY 34 H GLY 34 -10.701 7.427 -13.733 232 HA2 GLY 34 1HA GLY 34 -12.666 8.071 -12.448 233 HA3 GLY 34 2HA GLY 34 -12.840 9.451 -13.523 234 H LYS 35 H LYS 35 -12.047 7.381 -15.722 235 HA LYS 35 HA LYS 35 -14.545 7.024 -16.837 236 HB2 LYS 35 1HB LYS 35 -11.858 6.081 -17.348 237 HB3 LYS 35 2HB LYS 35 -13.038 4.830 -17.714 238 HG2 LYS 35 1HG LYS 35 -13.176 5.827 -19.705 239 HG3 LYS 35 2HG LYS 35 -14.180 7.014 -18.870 240 HD2 LYS 35 1HD LYS 35 -11.218 7.357 -18.850 241 HD3 LYS 35 2HD LYS 35 -12.115 7.765 -20.315 242 HE2 LYS 35 1HE LYS 35 -13.367 8.819 -17.914 243 HE3 LYS 35 2HE LYS 35 -11.716 9.400 -18.120 244 HZ1 LYS 35 3HZ LYS 35 -12.319 10.681 -19.820 245 HZ2 LYS 35 1HZ LYS 35 -13.919 10.417 -19.338 246 HZ3 LYS 35 2HZ LYS 35 -13.233 9.460 -20.552 247 H VAL 36 H VAL 36 -16.238 5.985 -16.026 248 HA VAL 36 HA VAL 36 -16.015 3.926 -14.066 249 HB VAL 36 HB VAL 36 -17.943 5.539 -14.276 250 HG11 VAL 36 1HG1 VAL 36 -18.786 3.664 -16.484 251 HG12 VAL 36 2HG1 VAL 36 -19.741 4.991 -15.819 252 HG13 VAL 36 3HG1 VAL 36 -18.252 5.330 -16.703 253 HG21 VAL 36 3HG2 VAL 36 -19.369 3.025 -14.274 254 HG22 VAL 36 1HG2 VAL 36 -17.856 2.908 -13.375 255 HG23 VAL 36 2HG2 VAL 36 -19.046 4.136 -12.942 256 H PHE 37 H PHE 37 -16.450 1.735 -14.237 257 HA PHE 37 HA PHE 37 -16.654 0.651 -16.965 258 HB2 PHE 37 1HB PHE 37 -14.646 0.069 -14.850 259 HB3 PHE 37 2HB PHE 37 -15.224 -1.291 -15.806 260 HD1 PHE 37 HD1 PHE 37 -13.757 2.106 -16.130 261 HD2 PHE 37 HD2 PHE 37 -14.300 -1.733 -17.886 262 HE1 PHE 37 HE1 PHE 37 -12.188 2.710 -17.926 263 HE2 PHE 37 HE2 PHE 37 -12.730 -1.136 -19.684 264 HZ PHE 37 HZ PHE 37 -11.671 1.088 -19.705 265 H ASP 38 H ASP 38 -16.914 -1.952 -16.566 266 HA ASP 38 HA ASP 38 -19.543 -2.301 -15.723 267 HB2 ASP 38 1HB ASP 38 -17.933 -3.820 -17.159 268 HB3 ASP 38 2HB ASP 38 -17.636 -4.603 -15.609 269 H SER 39 H SER 39 -20.504 -2.800 -13.833 270 HA SER 39 HA SER 39 -18.764 -3.279 -11.504 271 HB2 SER 39 1HB SER 39 -20.854 -2.103 -10.315 272 HB3 SER 39 2HB SER 39 -19.490 -1.179 -10.943 273 HG SER 39 HG SER 39 -21.625 -0.430 -11.596 274 H SER 40 H SER 40 -19.744 -4.475 -9.751 275 HA SER 40 HA SER 40 -21.324 -6.668 -10.726 276 HB2 SER 40 1HB SER 40 -19.429 -6.445 -8.780 277 HB3 SER 40 2HB SER 40 -20.904 -6.449 -7.813 278 HG SER 40 HG SER 40 -21.382 -8.442 -8.515 279 H ARG 41 H ARG 41 -21.983 -3.670 -9.256 280 HA ARG 41 HA ARG 41 -24.415 -4.419 -7.935 281 HB2 ARG 41 1HB ARG 41 -24.769 -1.942 -7.785 282 HB3 ARG 41 2HB ARG 41 -23.249 -2.503 -7.102 283 HG2 ARG 41 1HG ARG 41 -21.988 -1.514 -8.731 284 HG3 ARG 41 2HG ARG 41 -23.281 -1.587 -9.930 285 HD2 ARG 41 1HD ARG 41 -23.392 0.187 -7.502 286 HD3 ARG 41 2HD ARG 41 -22.707 0.711 -9.041 287 HE ARG 41 HE ARG 41 -25.178 -0.219 -9.700 288 HH11 ARG 41 1HH1 ARG 41 -23.983 2.127 -7.421 289 HH12 ARG 41 2HH1 ARG 41 -25.406 3.113 -7.492 290 HH21 ARG 41 1HH2 ARG 41 -27.056 1.072 -9.801 291 HH22 ARG 41 2HH2 ARG 41 -27.153 2.512 -8.845 292 H THR 42 H THR 42 -23.516 -3.574 -11.148 293 HA THR 42 HA THR 42 -25.876 -2.495 -12.155 294 HB THR 42 HB THR 42 -23.957 -4.331 -13.601 295 HG1 THR 42 HG1 THR 42 -22.805 -2.578 -12.889 296 HG21 THR 42 3HG2 THR 42 -26.284 -2.715 -14.455 297 HG22 THR 42 1HG2 THR 42 -25.616 -4.193 -15.146 298 HG23 THR 42 2HG2 THR 42 -24.853 -2.639 -15.482 299 H ARG 43 H ARG 43 -25.149 -5.721 -11.172 300 HA ARG 43 HA ARG 43 -27.627 -6.706 -12.413 301 HB2 ARG 43 1HB ARG 43 -25.411 -8.362 -11.204 302 HB3 ARG 43 2HB ARG 43 -26.746 -8.929 -12.198 303 HG2 ARG 43 1HG ARG 43 -24.650 -7.023 -13.199 304 HG3 ARG 43 2HG ARG 43 -24.515 -8.777 -13.339 305 HD2 ARG 43 1HD ARG 43 -26.763 -7.100 -14.451 306 HD3 ARG 43 2HD ARG 43 -25.407 -7.735 -15.383 307 HE ARG 43 HE ARG 43 -26.547 -9.920 -14.172 308 HH11 ARG 43 1HH1 ARG 43 -27.609 -7.416 -16.346 309 HH12 ARG 43 2HH1 ARG 43 -28.791 -8.415 -17.126 310 HH21 ARG 43 1HH2 ARG 43 -28.100 -11.244 -15.192 311 HH22 ARG 43 2HH2 ARG 43 -29.070 -10.591 -16.468 312 H GLY 44 H GLY 44 -26.742 -5.330 -9.648 313 HA2 GLY 44 1HA GLY 44 -27.563 -5.325 -7.504 314 HA3 GLY 44 2HA GLY 44 -28.971 -6.134 -8.177 315 H LYS 45 H LYS 45 -25.633 -7.303 -8.019 316 HA LYS 45 HA LYS 45 -26.400 -9.256 -5.985 317 HB2 LYS 45 1HB LYS 45 -25.714 -9.858 -8.806 318 HB3 LYS 45 2HB LYS 45 -24.975 -10.888 -7.586 319 HG2 LYS 45 1HG LYS 45 -26.854 -12.086 -7.827 320 HG3 LYS 45 2HG LYS 45 -27.534 -10.882 -6.731 321 HD2 LYS 45 1HD LYS 45 -28.748 -9.879 -8.370 322 HD3 LYS 45 2HD LYS 45 -27.548 -10.221 -9.618 323 HE2 LYS 45 1HE LYS 45 -28.250 -12.593 -9.584 324 HE3 LYS 45 2HE LYS 45 -29.502 -12.179 -8.414 325 HZ1 LYS 45 3HZ LYS 45 -30.378 -10.594 -10.103 326 HZ2 LYS 45 1HZ LYS 45 -30.494 -12.221 -10.552 327 HZ3 LYS 45 2HZ LYS 45 -29.286 -11.244 -11.220 328 HA PRO 46 HA PRO 46 -22.361 -7.751 -4.730 329 HB2 PRO 46 1HB PRO 46 -22.459 -8.859 -2.253 330 HB3 PRO 46 2HB PRO 46 -23.293 -7.356 -2.667 331 HG2 PRO 46 1HG PRO 46 -24.383 -10.138 -2.482 332 HG3 PRO 46 2HG PRO 46 -25.089 -8.618 -1.901 333 HD2 PRO 46 1HD PRO 46 -25.871 -9.800 -4.208 334 HD3 PRO 46 2HD PRO 46 -25.874 -8.039 -3.990 335 H PHE 47 H PHE 47 -20.349 -8.679 -4.589 336 HA PHE 47 HA PHE 47 -20.225 -11.540 -5.180 337 HB2 PHE 47 1HB PHE 47 -19.025 -9.638 -6.521 338 HB3 PHE 47 2HB PHE 47 -17.841 -9.722 -5.221 339 HD1 PHE 47 HD1 PHE 47 -19.612 -11.871 -7.688 340 HD2 PHE 47 HD2 PHE 47 -16.115 -11.254 -5.341 341 HE1 PHE 47 HE1 PHE 47 -18.528 -13.776 -8.807 342 HE2 PHE 47 HE2 PHE 47 -15.026 -13.157 -6.457 343 HZ PHE 47 HZ PHE 47 -16.232 -14.420 -8.193 344 H ARG 48 H ARG 48 -19.538 -12.993 -3.748 345 HA ARG 48 HA ARG 48 -18.239 -12.009 -1.293 346 HB2 ARG 48 1HB ARG 48 -19.240 -13.897 -0.119 347 HB3 ARG 48 2HB ARG 48 -20.483 -12.930 -0.902 348 HG2 ARG 48 1HG ARG 48 -21.139 -14.618 -2.211 349 HG3 ARG 48 2HG ARG 48 -19.484 -15.129 -2.545 350 HD2 ARG 48 1HD ARG 48 -19.454 -16.070 -0.189 351 HD3 ARG 48 2HD ARG 48 -21.197 -15.805 -0.168 352 HE ARG 48 HE ARG 48 -19.805 -17.914 -1.482 353 HH11 ARG 48 1HH1 ARG 48 -22.606 -15.857 -1.695 354 HH12 ARG 48 2HH1 ARG 48 -23.528 -16.990 -2.627 355 HH21 ARG 48 1HH2 ARG 48 -21.009 -19.413 -2.709 356 HH22 ARG 48 2HH2 ARG 48 -22.619 -19.012 -3.203 357 H PHE 49 H PHE 49 -16.508 -13.165 -0.438 358 HA PHE 49 HA PHE 49 -15.555 -15.588 -1.611 359 HB2 PHE 49 1HB PHE 49 -13.479 -14.719 -2.563 360 HB3 PHE 49 2HB PHE 49 -14.870 -13.999 -3.366 361 HD1 PHE 49 HD2 PHE 49 -12.089 -13.399 -1.055 362 HD2 PHE 49 HD1 PHE 49 -15.344 -11.660 -3.175 363 HE1 PHE 49 HE2 PHE 49 -11.200 -11.156 -0.572 364 HE2 PHE 49 HE1 PHE 49 -14.460 -9.414 -2.696 365 HZ PHE 49 HZ PHE 49 -12.387 -9.160 -1.393 366 H THR 50 H THR 50 -13.354 -16.169 -0.711 367 HA THR 50 HA THR 50 -13.365 -15.588 2.119 368 HB THR 50 HB THR 50 -11.432 -17.333 0.584 369 HG1 THR 50 HG1 THR 50 -12.890 -19.024 1.417 370 HG21 THR 50 3HG2 THR 50 -10.482 -16.998 2.679 371 HG22 THR 50 1HG2 THR 50 -11.423 -18.470 2.919 372 HG23 THR 50 2HG2 THR 50 -12.046 -16.921 3.488 373 H VAL 51 H VAL 51 -12.490 -13.706 2.728 374 HA VAL 51 HA VAL 51 -10.488 -12.302 1.339 375 HB VAL 51 HB VAL 51 -11.101 -12.057 4.285 376 HG11 VAL 51 1HG1 VAL 51 -10.559 -9.586 3.583 377 HG12 VAL 51 2HG1 VAL 51 -9.262 -10.724 3.956 378 HG13 VAL 51 3HG1 VAL 51 -9.678 -10.377 2.277 379 HG21 VAL 51 3HG2 VAL 51 -12.550 -10.991 1.881 380 HG22 VAL 51 1HG2 VAL 51 -13.203 -11.863 3.268 381 HG23 VAL 51 2HG2 VAL 51 -12.649 -10.199 3.453 382 H GLY 52 H GLY 52 -8.583 -13.291 0.941 383 HA2 GLY 52 1HA GLY 52 -6.350 -13.379 2.084 384 HA3 GLY 52 2HA GLY 52 -7.140 -14.417 3.261 385 H ARG 53 H ARG 53 -8.691 -15.543 0.835 386 HA ARG 53 HA ARG 53 -6.906 -17.753 0.413 387 HB2 ARG 53 1HB ARG 53 -9.709 -17.092 -0.402 388 HB3 ARG 53 2HB ARG 53 -8.861 -18.396 -1.221 389 HG2 ARG 53 1HG ARG 53 -9.165 -18.252 1.765 390 HG3 ARG 53 2HG ARG 53 -10.309 -19.080 0.708 391 HD2 ARG 53 1HD ARG 53 -7.362 -19.686 0.722 392 HD3 ARG 53 2HD ARG 53 -8.513 -20.515 1.770 393 HE ARG 53 HE ARG 53 -9.522 -20.729 -0.786 394 HH11 ARG 53 1HH1 ARG 53 -6.617 -21.675 0.883 395 HH12 ARG 53 2HH1 ARG 53 -6.346 -23.069 -0.108 396 HH21 ARG 53 1HH2 ARG 53 -9.176 -22.562 -2.098 397 HH22 ARG 53 2HH2 ARG 53 -7.801 -23.572 -1.805 398 H GLY 54 H GLY 54 -6.844 -18.633 -1.970 399 HA2 GLY 54 1HA GLY 54 -5.570 -16.516 -3.535 400 HA3 GLY 54 2HA GLY 54 -5.406 -18.246 -3.800 401 H GLU 55 H GLU 55 -8.596 -17.096 -3.308 402 HA GLU 55 HA GLU 55 -9.281 -17.778 -6.038 403 HB2 GLU 55 1HB GLU 55 -11.073 -16.829 -3.796 404 HB3 GLU 55 2HB GLU 55 -11.593 -17.550 -5.312 405 HG2 GLU 55 1HG GLU 55 -10.462 -19.639 -4.686 406 HG3 GLU 55 2HG GLU 55 -10.007 -18.911 -3.146 407 H VAL 56 H VAL 56 -8.779 -14.940 -4.131 408 HA VAL 56 HA VAL 56 -9.786 -13.270 -6.343 409 HB VAL 56 HB VAL 56 -9.893 -11.427 -4.631 410 HG11 VAL 56 1HG1 VAL 56 -11.804 -12.993 -5.415 411 HG12 VAL 56 2HG1 VAL 56 -11.683 -13.673 -3.791 412 HG13 VAL 56 3HG1 VAL 56 -12.059 -11.963 -4.006 413 HG21 VAL 56 3HG2 VAL 56 -10.058 -13.374 -2.433 414 HG22 VAL 56 1HG2 VAL 56 -8.437 -13.083 -3.062 415 HG23 VAL 56 2HG2 VAL 56 -9.402 -11.737 -2.455 416 H ILE 57 H ILE 57 -8.640 -10.944 -6.042 417 HA ILE 57 HA ILE 57 -5.798 -11.509 -6.417 418 HB ILE 57 HB ILE 57 -5.706 -9.190 -7.342 419 HG12 ILE 57 1HG1 ILE 57 -8.662 -9.133 -7.586 420 HG13 ILE 57 2HG1 ILE 57 -7.998 -8.735 -6.005 421 HG21 ILE 57 1HG2 ILE 57 -6.738 -11.533 -8.477 422 HG22 ILE 57 2HG2 ILE 57 -7.768 -10.223 -9.052 423 HG23 ILE 57 3HG2 ILE 57 -6.026 -10.155 -9.317 424 HD11 ILE 57 3HD1 ILE 57 -7.680 -7.306 -8.603 425 HD12 ILE 57 1HD1 ILE 57 -8.160 -6.678 -7.027 426 HD13 ILE 57 2HD1 ILE 57 -6.478 -7.116 -7.327 427 H ARG 58 H ARG 58 -4.192 -10.010 -5.557 428 HA ARG 58 HA ARG 58 -4.294 -9.725 -2.812 429 HB2 ARG 58 1HB ARG 58 -2.662 -8.124 -4.791 430 HB3 ARG 58 2HB ARG 58 -2.361 -8.192 -3.060 431 HG2 ARG 58 1HG ARG 58 -2.453 -10.734 -4.604 432 HG3 ARG 58 2HG ARG 58 -1.024 -9.705 -4.721 433 HD2 ARG 58 1HD ARG 58 -1.156 -9.693 -2.122 434 HD3 ARG 58 2HD ARG 58 -2.145 -11.135 -2.346 435 HE ARG 58 HE ARG 58 0.303 -11.275 -3.804 436 HH11 ARG 58 1HH1 ARG 58 -1.109 -11.669 -0.647 437 HH12 ARG 58 2HH1 ARG 58 0.097 -12.788 -0.103 438 HH21 ARG 58 1HH2 ARG 58 1.898 -12.747 -3.100 439 HH22 ARG 58 2HH2 ARG 58 1.808 -13.399 -1.499 440 H GLY 59 H GLY 59 -4.987 -7.290 -5.303 441 HA2 GLY 59 1HA GLY 59 -5.359 -5.052 -3.750 442 HA3 GLY 59 2HA GLY 59 -6.279 -5.390 -5.209 443 H TRP 60 H TRP 60 -7.966 -7.298 -4.695 444 HA TRP 60 HA TRP 60 -9.935 -6.136 -3.077 445 HB2 TRP 60 1HB TRP 60 -9.615 -8.815 -4.381 446 HB3 TRP 60 2HB TRP 60 -10.943 -8.554 -3.254 447 HD1 TRP 60 HD1 TRP 60 -10.260 -5.425 -5.095 448 HE1 TRP 60 HE1 TRP 60 -11.977 -5.096 -6.985 449 HE3 TRP 60 HE3 TRP 60 -12.321 -10.103 -5.143 450 HZ2 TRP 60 HZ2 TRP 60 -13.945 -6.618 -8.319 451 HZ3 TRP 60 HZ3 TRP 60 -14.116 -10.585 -6.756 452 HH2 TRP 60 HH2 TRP 60 -14.910 -8.876 -8.310 453 H ASP 61 H ASP 61 -7.664 -8.772 -2.439 454 HA ASP 61 HA ASP 61 -8.614 -9.716 -0.035 455 HB2 ASP 61 1HB ASP 61 -6.535 -10.419 -1.442 456 HB3 ASP 61 2HB ASP 61 -5.668 -9.281 -0.415 457 H GLU 62 H GLU 62 -6.042 -7.255 -0.323 458 HA GLU 62 HA GLU 62 -6.202 -6.491 2.399 459 HB2 GLU 62 1HB GLU 62 -4.794 -4.562 1.699 460 HB3 GLU 62 2HB GLU 62 -4.163 -6.117 1.175 461 HG2 GLU 62 1HG GLU 62 -5.613 -5.468 -0.986 462 HG3 GLU 62 2HG GLU 62 -5.195 -3.857 -0.407 463 H GLY 63 H GLY 63 -7.455 -5.018 -0.583 464 HA2 GLY 63 1HA GLY 63 -8.517 -2.683 0.395 465 HA3 GLY 63 2HA GLY 63 -9.246 -3.611 -0.907 466 H VAL 64 H VAL 64 -10.307 -5.760 0.141 467 HA VAL 64 HA VAL 64 -12.539 -4.785 1.612 468 HB VAL 64 HB VAL 64 -12.565 -6.701 -0.047 469 HG11 VAL 64 1HG1 VAL 64 -11.879 -8.519 2.206 470 HG12 VAL 64 2HG1 VAL 64 -11.752 -8.778 0.465 471 HG13 VAL 64 3HG1 VAL 64 -10.566 -7.772 1.297 472 HG21 VAL 64 3HG2 VAL 64 -13.827 -7.780 2.383 473 HG22 VAL 64 1HG2 VAL 64 -14.221 -6.103 2.003 474 HG23 VAL 64 2HG2 VAL 64 -14.534 -7.373 0.820 475 H ALA 65 H ALA 65 -9.598 -6.477 2.461 476 HA ALA 65 HA ALA 65 -10.285 -7.435 4.988 477 HB1 ALA 65 1HB ALA 65 -8.261 -8.225 4.205 478 HB2 ALA 65 2HB ALA 65 -7.701 -6.623 3.725 479 HB3 ALA 65 3HB ALA 65 -7.753 -7.064 5.432 480 H GLN 66 H GLN 66 -9.280 -4.229 3.950 481 HA GLN 66 HA GLN 66 -9.418 -3.271 6.718 482 HB2 GLN 66 1HB GLN 66 -8.396 -1.902 4.224 483 HB3 GLN 66 2HB GLN 66 -8.376 -1.210 5.841 484 HG2 GLN 66 1HG GLN 66 -6.725 -2.659 6.580 485 HG3 GLN 66 2HG GLN 66 -7.027 -3.819 5.287 486 HE21 GLN 66 2HE2 GLN 66 -6.669 -2.845 3.038 487 HE22 GLN 66 1HE2 GLN 66 -5.219 -1.925 2.843 488 H MET 67 H MET 67 -11.763 -3.984 5.051 489 HA MET 67 HA MET 67 -13.062 -1.345 4.906 490 HB2 MET 67 1HB MET 67 -13.509 -3.899 3.391 491 HB3 MET 67 2HB MET 67 -14.792 -2.703 3.523 492 HG2 MET 67 1HG MET 67 -12.130 -1.755 2.642 493 HG3 MET 67 2HG MET 67 -13.066 -2.733 1.514 494 HE1 MET 67 3HE MET 67 -15.216 -2.116 0.441 495 HE2 MET 67 1HE MET 67 -16.106 -1.906 1.949 496 HE3 MET 67 2HE MET 67 -16.149 -0.644 0.717 497 H SER 68 H SER 68 -15.258 -1.181 5.649 498 HA SER 68 HA SER 68 -15.920 -3.171 7.720 499 HB2 SER 68 1HB SER 68 -17.105 -1.185 8.842 500 HB3 SER 68 2HB SER 68 -15.343 -1.208 8.898 501 HG SER 68 HG SER 68 -16.772 0.748 8.061 502 H VAL 69 H VAL 69 -18.075 -3.750 7.993 503 HA VAL 69 HA VAL 69 -19.657 -4.015 5.750 504 HB VAL 69 HB VAL 69 -20.563 -3.938 8.631 505 HG11 VAL 69 1HG1 VAL 69 -22.476 -3.642 7.221 506 HG12 VAL 69 2HG1 VAL 69 -21.950 -4.942 6.150 507 HG13 VAL 69 3HG1 VAL 69 -22.471 -5.309 7.796 508 HG21 VAL 69 3HG2 VAL 69 -18.777 -5.637 7.716 509 HG22 VAL 69 1HG2 VAL 69 -20.068 -6.171 8.791 510 HG23 VAL 69 2HG2 VAL 69 -20.201 -6.440 7.053 511 H GLY 70 H GLY 70 -20.863 -2.663 4.595 512 HA2 GLY 70 1HA GLY 70 -22.391 -0.962 4.163 513 HA3 GLY 70 2HA GLY 70 -22.336 -0.517 5.862 514 H GLN 71 H GLN 71 -19.272 -0.842 4.429 515 HA GLN 71 HA GLN 71 -19.035 2.085 4.289 516 HB2 GLN 71 1HB GLN 71 -17.608 0.606 5.896 517 HB3 GLN 71 2HB GLN 71 -16.685 0.229 4.447 518 HG2 GLN 71 1HG GLN 71 -16.797 2.926 4.287 519 HG3 GLN 71 2HG GLN 71 -16.791 2.693 6.034 520 HE21 GLN 71 2HE2 GLN 71 -15.002 2.380 3.094 521 HE22 GLN 71 1HE2 GLN 71 -13.477 2.005 3.814 522 H ARG 72 H ARG 72 -18.389 3.072 2.457 523 HA ARG 72 HA ARG 72 -17.696 1.345 0.171 524 HB2 ARG 72 1HB ARG 72 -19.956 2.636 0.201 525 HB3 ARG 72 2HB ARG 72 -18.964 4.046 -0.147 526 HG2 ARG 72 1HG ARG 72 -18.396 3.301 -2.244 527 HG3 ARG 72 2HG ARG 72 -18.668 1.606 -1.831 528 HD2 ARG 72 1HD ARG 72 -21.095 2.066 -1.717 529 HD3 ARG 72 2HD ARG 72 -20.779 3.723 -2.231 530 HE ARG 72 HE ARG 72 -19.718 1.755 -4.029 531 HH11 ARG 72 1HH1 ARG 72 -22.553 3.572 -3.142 532 HH12 ARG 72 2HH1 ARG 72 -23.276 3.460 -4.712 533 HH21 ARG 72 1HH2 ARG 72 -20.660 1.601 -6.101 534 HH22 ARG 72 2HH2 ARG 72 -22.199 2.338 -6.395 535 H ALA 73 H ALA 73 -15.913 1.830 -0.991 536 HA ALA 73 HA ALA 73 -14.678 4.423 -0.907 537 HB1 ALA 73 1HB ALA 73 -13.939 3.430 1.241 538 HB2 ALA 73 2HB ALA 73 -13.169 2.127 0.334 539 HB3 ALA 73 3HB ALA 73 -12.608 3.787 0.140 540 H LYS 74 H LYS 74 -12.628 4.451 -2.193 541 HA LYS 74 HA LYS 74 -12.941 2.688 -4.499 542 HB2 LYS 74 1HB LYS 74 -11.006 4.980 -4.332 543 HB3 LYS 74 2HB LYS 74 -11.776 4.291 -5.755 544 HG2 LYS 74 1HG LYS 74 -13.939 5.194 -4.978 545 HG3 LYS 74 2HG LYS 74 -13.099 5.958 -3.625 546 HD2 LYS 74 1HD LYS 74 -13.098 7.705 -5.092 547 HD3 LYS 74 2HD LYS 74 -11.597 6.919 -5.588 548 HE2 LYS 74 1HE LYS 74 -14.129 6.049 -6.880 549 HE3 LYS 74 2HE LYS 74 -13.463 7.616 -7.336 550 HZ1 LYS 74 3HZ LYS 74 -12.488 4.955 -7.920 551 HZ2 LYS 74 1HZ LYS 74 -11.292 6.060 -7.459 552 HZ3 LYS 74 2HZ LYS 74 -12.289 6.396 -8.783 553 H LEU 75 H LEU 75 -11.430 1.251 -5.179 554 HA LEU 75 HA LEU 75 -9.076 0.900 -3.445 555 HB2 LEU 75 1HB LEU 75 -10.880 -0.908 -3.577 556 HB3 LEU 75 2HB LEU 75 -10.275 -1.219 -5.203 557 HG LEU 75 HG LEU 75 -8.049 -1.721 -4.219 558 HD11 LEU 75 1HD1 LEU 75 -8.289 -0.425 -2.159 559 HD12 LEU 75 2HD1 LEU 75 -7.872 -2.105 -1.823 560 HD13 LEU 75 3HD1 LEU 75 -9.530 -1.546 -1.598 561 HD21 LEU 75 3HD2 LEU 75 -8.591 -3.899 -3.939 562 HD22 LEU 75 1HD2 LEU 75 -10.159 -3.345 -4.529 563 HD23 LEU 75 2HD2 LEU 75 -9.889 -3.544 -2.797 564 H VAL 76 H VAL 76 -7.589 2.136 -4.534 565 HA VAL 76 HA VAL 76 -7.130 1.553 -7.373 566 HB VAL 76 HB VAL 76 -7.309 3.896 -6.969 567 HG11 VAL 76 1HG1 VAL 76 -5.178 4.606 -5.318 568 HG12 VAL 76 2HG1 VAL 76 -6.897 4.670 -4.924 569 HG13 VAL 76 3HG1 VAL 76 -5.949 3.241 -4.510 570 HG21 VAL 76 3HG2 VAL 76 -5.451 3.040 -8.460 571 HG22 VAL 76 1HG2 VAL 76 -5.269 4.690 -7.863 572 HG23 VAL 76 2HG2 VAL 76 -4.348 3.380 -7.126 573 H CYS 77 H CYS 77 -5.889 -0.235 -7.515 574 HA CYS 77 HA CYS 77 -3.305 -0.178 -6.106 575 HB2 CYS 77 1HB CYS 77 -3.431 -2.693 -6.062 576 HB3 CYS 77 2HB CYS 77 -4.590 -1.877 -5.019 577 HG CYS 77 HG CYS 77 -6.787 -2.339 -6.587 578 H SER 78 H SER 78 -1.621 -1.512 -7.180 579 HA SER 78 HA SER 78 -1.537 -0.880 -9.975 580 HB2 SER 78 1HB SER 78 0.346 -1.678 -7.917 581 HB3 SER 78 2HB SER 78 0.626 -2.563 -9.416 582 HG SER 78 HG SER 78 1.489 -0.814 -10.165 583 HA PRO 79 HA PRO 79 -2.715 -4.663 -11.856 584 HB2 PRO 79 1HB PRO 79 -0.793 -5.087 -13.726 585 HB3 PRO 79 2HB PRO 79 -2.008 -3.811 -13.869 586 HG2 PRO 79 1HG PRO 79 0.833 -3.626 -12.942 587 HG3 PRO 79 2HG PRO 79 -0.066 -2.540 -14.018 588 HD2 PRO 79 1HD PRO 79 0.351 -1.982 -11.401 589 HD3 PRO 79 2HD PRO 79 -1.110 -1.465 -12.267 590 H ASP 80 H ASP 80 0.512 -4.503 -10.539 591 HA ASP 80 HA ASP 80 1.239 -7.208 -10.816 592 HB2 ASP 80 1HB ASP 80 2.071 -5.274 -8.642 593 HB3 ASP 80 2HB ASP 80 2.909 -6.756 -9.096 594 H TYR 81 H TYR 81 -0.895 -5.588 -8.628 595 HA TYR 81 HA TYR 81 -1.092 -8.002 -6.962 596 HB2 TYR 81 1HB TYR 81 -1.611 -5.106 -6.466 597 HB3 TYR 81 2HB TYR 81 -2.562 -6.286 -5.570 598 HD1 TYR 81 HD2 TYR 81 0.955 -6.762 -6.600 599 HD2 TYR 81 HD1 TYR 81 -1.695 -5.844 -3.400 600 HE1 TYR 81 HE2 TYR 81 2.803 -7.030 -4.999 601 HE2 TYR 81 HE1 TYR 81 0.146 -6.109 -1.791 602 HH TYR 81 HH TYR 81 3.374 -7.125 -2.845 603 H ALA 82 H ALA 82 -2.366 -7.162 -9.684 604 HA ALA 82 HA ALA 82 -4.941 -8.368 -9.093 605 HB1 ALA 82 1HB ALA 82 -4.938 -5.795 -10.637 606 HB2 ALA 82 2HB ALA 82 -6.301 -6.655 -9.920 607 HB3 ALA 82 3HB ALA 82 -5.139 -5.825 -8.885 608 H TYR 83 H TYR 83 -6.178 -7.937 -11.526 609 HA TYR 83 HA TYR 83 -4.512 -9.583 -13.263 610 HB2 TYR 83 1HB TYR 83 -6.699 -9.701 -14.609 611 HB3 TYR 83 2HB TYR 83 -6.667 -10.493 -13.037 612 HD1 TYR 83 HD2 TYR 83 -7.408 -7.075 -14.376 613 HD2 TYR 83 HD1 TYR 83 -8.564 -10.229 -11.765 614 HE1 TYR 83 HE2 TYR 83 -9.380 -5.775 -13.688 615 HE2 TYR 83 HE1 TYR 83 -10.540 -8.939 -11.071 616 HH TYR 83 HH TYR 83 -11.978 -7.060 -12.138 617 H GLY 84 H GLY 84 -4.360 -6.532 -12.821 618 HA2 GLY 84 1HA GLY 84 -5.082 -5.314 -15.285 619 HA3 GLY 84 2HA GLY 84 -3.983 -4.649 -14.086 620 H SER 85 H SER 85 -2.345 -7.185 -14.296 621 HA SER 85 HA SER 85 -0.320 -6.291 -15.918 622 HB2 SER 85 1HB SER 85 0.159 -8.912 -16.099 623 HB3 SER 85 2HB SER 85 0.400 -8.023 -14.596 624 HG SER 85 HG SER 85 -0.826 -9.748 -14.045 625 H ARG 86 H ARG 86 -2.300 -9.106 -16.839 626 HA ARG 86 HA ARG 86 -1.635 -8.882 -19.585 627 HB2 ARG 86 1HB ARG 86 -2.480 -10.933 -18.204 628 HB3 ARG 86 2HB ARG 86 -4.078 -10.331 -18.626 629 HG2 ARG 86 1HG ARG 86 -2.046 -10.734 -20.771 630 HG3 ARG 86 2HG ARG 86 -2.914 -12.121 -20.110 631 HD2 ARG 86 1HD ARG 86 -5.045 -11.015 -20.637 632 HD3 ARG 86 2HD ARG 86 -4.157 -9.660 -21.331 633 HE ARG 86 HE ARG 86 -4.710 -12.160 -22.579 634 HH11 ARG 86 1HH1 ARG 86 -2.366 -9.594 -22.382 635 HH12 ARG 86 2HH1 ARG 86 -1.735 -9.872 -23.971 636 HH21 ARG 86 1HH2 ARG 86 -3.888 -12.536 -24.673 637 HH22 ARG 86 2HH2 ARG 86 -2.602 -11.545 -25.274 638 H GLY 87 H GLY 87 -4.768 -8.398 -17.934 639 HA2 GLY 87 1HA GLY 87 -6.510 -6.977 -18.406 640 HA3 GLY 87 2HA GLY 87 -5.360 -5.995 -19.301 641 H HIS 88 H HIS 88 -7.383 -5.708 -20.623 642 HA HIS 88 HA HIS 88 -7.242 -7.518 -22.888 643 HB2 HIS 88 1HB HIS 88 -9.508 -7.442 -21.021 644 HB3 HIS 88 2HB HIS 88 -9.965 -7.248 -22.711 645 HD1 HIS 88 HD1 HIS 88 -8.138 -9.678 -20.456 646 HD2 HIS 88 HD2 HIS 88 -10.009 -9.563 -24.163 647 HE1 HIS 88 HE1 HIS 88 -8.216 -12.065 -21.243 648 HA PRO 89 HA PRO 89 -7.870 -3.856 -25.218 649 HB2 PRO 89 1HB PRO 89 -9.212 -4.795 -27.383 650 HB3 PRO 89 2HB PRO 89 -7.497 -5.118 -27.102 651 HG2 PRO 89 1HG PRO 89 -9.868 -6.864 -26.560 652 HG3 PRO 89 2HG PRO 89 -8.298 -7.295 -27.265 653 HD2 PRO 89 1HD PRO 89 -8.914 -7.781 -24.673 654 HD3 PRO 89 2HD PRO 89 -7.263 -7.406 -25.208 655 H GLY 90 H GLY 90 -9.212 -2.303 -24.533 656 HA2 GLY 90 1HA GLY 90 -11.183 -1.065 -24.536 657 HA3 GLY 90 2HA GLY 90 -12.021 -2.450 -25.218 658 H VAL 91 H VAL 91 -10.233 -3.430 -22.578 659 HA VAL 91 HA VAL 91 -12.485 -3.001 -20.729 660 HB VAL 91 HB VAL 91 -10.918 -5.572 -20.976 661 HG11 VAL 91 1HG1 VAL 91 -12.315 -4.543 -18.816 662 HG12 VAL 91 2HG1 VAL 91 -13.445 -5.673 -19.564 663 HG13 VAL 91 3HG1 VAL 91 -11.848 -6.226 -19.061 664 HG21 VAL 91 3HG2 VAL 91 -13.253 -4.604 -22.397 665 HG22 VAL 91 1HG2 VAL 91 -12.265 -6.035 -22.691 666 HG23 VAL 91 2HG2 VAL 91 -13.583 -6.098 -21.521 667 H ILE 92 H ILE 92 -9.166 -4.318 -20.776 668 HA ILE 92 HA ILE 92 -8.522 -2.556 -18.514 669 HB ILE 92 HB ILE 92 -7.772 -5.476 -18.706 670 HG12 ILE 92 1HG1 ILE 92 -9.531 -4.007 -16.729 671 HG13 ILE 92 2HG1 ILE 92 -10.101 -5.084 -17.999 672 HG21 ILE 92 1HG2 ILE 92 -7.111 -3.492 -16.535 673 HG22 ILE 92 2HG2 ILE 92 -6.622 -5.184 -16.612 674 HG23 ILE 92 3HG2 ILE 92 -5.985 -4.029 -17.782 675 HD11 ILE 92 3HD1 ILE 92 -9.040 -6.963 -16.948 676 HD12 ILE 92 1HD1 ILE 92 -8.301 -5.915 -15.738 677 HD13 ILE 92 2HD1 ILE 92 -10.051 -6.129 -15.769 678 HA PRO 93 HA PRO 93 -5.071 -1.532 -21.081 679 HB2 PRO 93 1HB PRO 93 -3.636 -0.175 -19.218 680 HB3 PRO 93 2HB PRO 93 -5.075 0.494 -19.997 681 HG2 PRO 93 1HG PRO 93 -4.803 -0.796 -17.310 682 HG3 PRO 93 2HG PRO 93 -5.708 0.659 -17.766 683 HD2 PRO 93 1HD PRO 93 -6.898 -1.748 -17.419 684 HD3 PRO 93 2HD PRO 93 -7.485 -0.554 -18.594 685 HA PRO 94 HA PRO 94 -1.916 -4.504 -20.324 686 HB2 PRO 94 1HB PRO 94 0.240 -3.267 -21.417 687 HB3 PRO 94 2HB PRO 94 -1.068 -3.953 -22.387 688 HG2 PRO 94 1HG PRO 94 -0.598 -1.109 -21.580 689 HG3 PRO 94 2HG PRO 94 -1.104 -1.757 -23.151 690 HD2 PRO 94 1HD PRO 94 -2.851 -0.661 -21.397 691 HD3 PRO 94 2HD PRO 94 -3.301 -1.983 -22.492 692 H ASN 95 H ASN 95 -1.615 -4.634 -18.123 693 HA ASN 95 HA ASN 95 -0.710 -4.265 -16.060 694 HB2 ASN 95 1HB ASN 95 1.765 -3.253 -17.419 695 HB3 ASN 95 2HB ASN 95 1.620 -4.303 -16.013 696 HD21 ASN 95 2HD2 ASN 95 1.394 -4.129 -19.493 697 HD22 ASN 95 1HD2 ASN 95 1.556 -5.825 -19.782 698 H ALA 96 H ALA 96 -2.317 -2.343 -16.173 699 HA ALA 96 HA ALA 96 -0.800 0.095 -15.523 700 HB1 ALA 96 1HB ALA 96 -2.005 1.406 -16.891 701 HB2 ALA 96 2HB ALA 96 -2.341 -0.101 -17.745 702 HB3 ALA 96 3HB ALA 96 -3.504 0.530 -16.579 703 H THR 97 H THR 97 -1.688 1.419 -13.896 704 HA THR 97 HA THR 97 -2.801 0.120 -11.712 705 HB THR 97 HB THR 97 -3.328 3.041 -12.056 706 HG1 THR 97 HG1 THR 97 -0.737 2.122 -11.393 707 HG21 THR 97 3HG2 THR 97 -3.908 2.150 -9.936 708 HG22 THR 97 1HG2 THR 97 -2.386 3.009 -9.704 709 HG23 THR 97 2HG2 THR 97 -2.396 1.249 -9.821 710 H LEU 98 H LEU 98 -4.850 -0.041 -10.852 711 HA LEU 98 HA LEU 98 -7.083 0.935 -12.492 712 HB2 LEU 98 1HB LEU 98 -7.112 -1.783 -11.220 713 HB3 LEU 98 2HB LEU 98 -8.211 -1.127 -12.432 714 HG LEU 98 HG LEU 98 -5.313 -1.746 -12.975 715 HD11 LEU 98 1HD1 LEU 98 -5.782 -3.894 -13.305 716 HD12 LEU 98 2HD1 LEU 98 -7.256 -3.514 -14.195 717 HD13 LEU 98 3HD1 LEU 98 -7.288 -3.606 -12.434 718 HD21 LEU 98 3HD2 LEU 98 -5.766 -1.318 -15.194 719 HD22 LEU 98 1HD2 LEU 98 -6.755 -0.099 -14.389 720 HD23 LEU 98 2HD2 LEU 98 -7.500 -1.576 -15.002 721 H THR 99 H THR 99 -8.952 1.465 -11.374 722 HA THR 99 HA THR 99 -8.750 1.381 -8.434 723 HB THR 99 HB THR 99 -10.082 3.587 -10.010 724 HG1 THR 99 HG1 THR 99 -7.893 3.777 -10.397 725 HG21 THR 99 3HG2 THR 99 -11.012 3.576 -7.868 726 HG22 THR 99 1HG2 THR 99 -9.701 4.748 -7.735 727 HG23 THR 99 2HG2 THR 99 -9.490 3.114 -7.106 728 H PHE 100 H PHE 100 -10.119 -0.238 -7.922 729 HA PHE 100 HA PHE 100 -12.788 -0.249 -9.148 730 HB2 PHE 100 1HB PHE 100 -11.128 -2.372 -7.823 731 HB3 PHE 100 2HB PHE 100 -12.872 -2.561 -7.961 732 HD1 PHE 100 HD1 PHE 100 -10.101 -1.434 -10.198 733 HD2 PHE 100 HD2 PHE 100 -13.527 -3.907 -9.686 734 HE1 PHE 100 HE1 PHE 100 -9.822 -2.289 -12.488 735 HE2 PHE 100 HE2 PHE 100 -13.253 -4.767 -11.975 736 HZ PHE 100 HZ PHE 100 -11.398 -3.958 -13.379 737 H ASP 101 H ASP 101 -14.434 0.523 -8.019 738 HA ASP 101 HA ASP 101 -14.135 1.320 -5.289 739 HB2 ASP 101 1HB ASP 101 -16.174 1.598 -7.403 740 HB3 ASP 101 2HB ASP 101 -16.806 1.557 -5.759 741 H VAL 102 H VAL 102 -14.516 0.167 -3.521 742 HA VAL 102 HA VAL 102 -16.046 -2.336 -3.785 743 HB VAL 102 HB VAL 102 -14.848 -2.873 -1.550 744 HG11 VAL 102 1HG1 VAL 102 -14.371 -4.173 -3.459 745 HG12 VAL 102 2HG1 VAL 102 -13.517 -2.845 -4.247 746 HG13 VAL 102 3HG1 VAL 102 -12.807 -3.642 -2.842 747 HG21 VAL 102 3HG2 VAL 102 -12.785 -0.980 -2.628 748 HG22 VAL 102 1HG2 VAL 102 -13.983 -0.458 -1.443 749 HG23 VAL 102 2HG2 VAL 102 -12.858 -1.757 -1.046 750 H GLU 103 H GLU 103 -17.735 -2.759 -2.439 751 HA GLU 103 HA GLU 103 -18.346 -0.801 -0.337 752 HB2 GLU 103 1HB GLU 103 -19.769 -0.046 -2.036 753 HB3 GLU 103 2HB GLU 103 -20.109 -1.675 -2.603 754 HG2 GLU 103 1HG GLU 103 -21.999 -0.563 -1.427 755 HG3 GLU 103 2HG GLU 103 -21.521 -2.118 -0.747 756 H LEU 104 H LEU 104 -18.189 -1.981 1.463 757 HA LEU 104 HA LEU 104 -18.628 -4.759 1.626 758 HB2 LEU 104 1HB LEU 104 -17.406 -3.011 3.209 759 HB3 LEU 104 2HB LEU 104 -18.957 -3.068 4.045 760 HG LEU 104 HG LEU 104 -17.624 -4.614 5.177 761 HD11 LEU 104 1HD1 LEU 104 -19.878 -5.450 4.355 762 HD12 LEU 104 2HD1 LEU 104 -18.720 -6.669 4.884 763 HD13 LEU 104 3HD1 LEU 104 -18.975 -6.385 3.163 764 HD21 LEU 104 3HD2 LEU 104 -16.719 -6.448 3.226 765 HD22 LEU 104 1HD2 LEU 104 -15.760 -5.392 4.263 766 HD23 LEU 104 2HD2 LEU 104 -16.280 -4.831 2.674 767 H LEU 105 H LEU 105 -20.417 -5.932 1.916 768 HA LEU 105 HA LEU 105 -22.921 -4.497 2.507 769 HB2 LEU 105 1HB LEU 105 -22.203 -6.433 0.478 770 HB3 LEU 105 2HB LEU 105 -23.591 -6.969 1.423 771 HG LEU 105 HG LEU 105 -24.371 -5.834 -0.542 772 HD11 LEU 105 1HD1 LEU 105 -26.000 -4.726 0.523 773 HD12 LEU 105 2HD1 LEU 105 -24.871 -3.649 1.344 774 HD13 LEU 105 3HD1 LEU 105 -25.180 -5.261 1.990 775 HD21 LEU 105 3HD2 LEU 105 -23.834 -3.403 -0.856 776 HD22 LEU 105 1HD2 LEU 105 -22.493 -4.509 -1.151 777 HD23 LEU 105 2HD2 LEU 105 -22.567 -3.595 0.356 778 H ARG 106 H ARG 106 -21.221 -7.582 2.971 779 HA ARG 106 HA ARG 106 -22.284 -7.765 5.660 780 HB2 ARG 106 1HB ARG 106 -22.891 -9.850 3.560 781 HB3 ARG 106 2HB ARG 106 -23.092 -10.109 5.287 782 HG2 ARG 106 1HG ARG 106 -24.754 -8.355 5.392 783 HG3 ARG 106 2HG ARG 106 -24.510 -7.993 3.682 784 HD2 ARG 106 1HD ARG 106 -26.303 -9.360 3.461 785 HD3 ARG 106 2HD ARG 106 -25.051 -10.601 3.488 786 HE ARG 106 HE ARG 106 -25.775 -10.192 6.117 787 HH11 ARG 106 1HH1 ARG 106 -27.341 -11.202 3.176 788 HH12 ARG 106 2HH1 ARG 106 -28.501 -12.204 3.985 789 HH21 ARG 106 1HH2 ARG 106 -27.297 -11.507 7.192 790 HH22 ARG 106 2HH2 ARG 106 -28.476 -12.375 6.269 791 H VAL 107 H VAL 107 -21.384 -9.766 6.779 792 HA VAL 107 HA VAL 107 -18.808 -10.607 5.660 793 HB VAL 107 HB VAL 107 -19.158 -9.460 8.434 794 HG11 VAL 107 1HG1 VAL 107 -16.654 -9.813 8.535 795 HG12 VAL 107 2HG1 VAL 107 -17.648 -11.267 8.638 796 HG13 VAL 107 3HG1 VAL 107 -16.837 -10.857 7.126 797 HG21 VAL 107 3HG2 VAL 107 -17.330 -8.477 6.259 798 HG22 VAL 107 1HG2 VAL 107 -18.977 -7.877 6.452 799 HG23 VAL 107 2HG2 VAL 107 -17.802 -7.659 7.748 800 H GLU 108 H GLU 108 -18.286 -12.685 6.080 801 HA GLU 108 HA GLU 108 -19.722 -14.118 8.189 802 HB2 GLU 108 1HB GLU 108 -19.640 -14.946 5.285 803 HB3 GLU 108 2HB GLU 108 -20.127 -16.015 6.594 804 HG2 GLU 108 1HG GLU 108 -21.503 -13.398 6.339 805 HG3 GLU 108 2HG GLU 108 -21.884 -14.663 5.172 Start of MODEL 17 1 H1 MET 1 H MET 1 1.844 -1.511 1.297 2 HA MET 1 HA MET 1 1.509 0.782 -0.484 3 HB2 MET 1 1HB MET 1 3.751 -1.018 0.244 4 HB3 MET 1 2HB MET 1 3.739 -0.407 -1.405 5 HG2 MET 1 1HG MET 1 4.992 1.181 -0.332 6 HG3 MET 1 2HG MET 1 3.384 1.899 -0.270 7 HE1 MET 1 3HE MET 1 4.631 3.189 3.044 8 HE2 MET 1 1HE MET 1 4.617 3.431 1.297 9 HE3 MET 1 2HE MET 1 3.097 3.310 2.182 10 H GLY 2 H GLY 2 1.332 0.579 -2.734 11 HA2 GLY 2 1HA GLY 2 1.114 -0.632 -4.756 12 HA3 GLY 2 2HA GLY 2 0.912 -2.107 -3.822 13 H VAL 3 H VAL 3 -1.042 -0.436 -2.105 14 HA VAL 3 HA VAL 3 -3.292 -0.245 -3.959 15 HB VAL 3 HB VAL 3 -3.446 -2.534 -3.213 16 HG11 VAL 3 1HG1 VAL 3 -3.967 -2.188 -0.421 17 HG12 VAL 3 2HG1 VAL 3 -2.755 -3.199 -1.210 18 HG13 VAL 3 3HG1 VAL 3 -2.382 -1.521 -0.811 19 HG21 VAL 3 3HG2 VAL 3 -5.470 -0.803 -3.166 20 HG22 VAL 3 1HG2 VAL 3 -5.669 -2.502 -2.733 21 HG23 VAL 3 2HG2 VAL 3 -5.494 -1.284 -1.469 22 H GLN 4 H GLN 4 -4.570 1.434 -3.501 23 HA GLN 4 HA GLN 4 -4.338 2.656 -0.829 24 HB2 GLN 4 1HB GLN 4 -4.131 3.804 -3.521 25 HB3 GLN 4 2HB GLN 4 -5.214 4.687 -2.454 26 HG2 GLN 4 1HG GLN 4 -3.045 5.654 -2.291 27 HG3 GLN 4 2HG GLN 4 -3.385 4.805 -0.784 28 HE21 GLN 4 2HE2 GLN 4 -1.687 3.791 -0.024 29 HE22 GLN 4 1HE2 GLN 4 -0.455 3.014 -0.953 30 H VAL 5 H VAL 5 -6.198 3.474 0.136 31 HA VAL 5 HA VAL 5 -8.733 2.691 -1.151 32 HB VAL 5 HB VAL 5 -8.312 1.202 0.704 33 HG11 VAL 5 1HG1 VAL 5 -7.239 1.824 2.545 34 HG12 VAL 5 2HG1 VAL 5 -7.117 3.454 1.879 35 HG13 VAL 5 3HG1 VAL 5 -8.480 3.022 2.913 36 HG21 VAL 5 3HG2 VAL 5 -10.623 2.049 0.299 37 HG22 VAL 5 1HG2 VAL 5 -10.330 1.524 1.957 38 HG23 VAL 5 2HG2 VAL 5 -10.356 3.244 1.568 39 H VAL 6 H VAL 6 -10.042 4.336 -1.560 40 HA VAL 6 HA VAL 6 -9.693 6.832 -0.039 41 HB VAL 6 HB VAL 6 -11.036 6.514 -2.724 42 HG11 VAL 6 1HG1 VAL 6 -10.036 9.102 -2.366 43 HG12 VAL 6 2HG1 VAL 6 -11.725 8.593 -2.343 44 HG13 VAL 6 3HG1 VAL 6 -10.807 8.675 -0.839 45 HG21 VAL 6 3HG2 VAL 6 -8.687 5.895 -2.908 46 HG22 VAL 6 1HG2 VAL 6 -8.985 7.447 -3.690 47 HG23 VAL 6 2HG2 VAL 6 -8.216 7.392 -2.104 48 H THR 7 H THR 7 -11.090 6.736 1.631 49 HA THR 7 HA THR 7 -13.509 5.426 1.788 50 HB THR 7 HB THR 7 -13.146 8.079 3.147 51 HG1 THR 7 HG1 THR 7 -11.784 7.057 4.638 52 HG21 THR 7 3HG2 THR 7 -13.948 5.865 4.796 53 HG22 THR 7 1HG2 THR 7 -14.977 5.960 3.368 54 HG23 THR 7 2HG2 THR 7 -14.817 7.356 4.433 55 H LEU 8 H LEU 8 -15.487 5.730 0.980 56 HA LEU 8 HA LEU 8 -16.066 8.307 -0.328 57 HB2 LEU 8 1HB LEU 8 -16.961 5.532 -1.087 58 HB3 LEU 8 2HB LEU 8 -17.570 7.010 -1.828 59 HG LEU 8 HG LEU 8 -14.635 6.489 -1.875 60 HD11 LEU 8 1HD1 LEU 8 -16.374 5.364 -4.027 61 HD12 LEU 8 2HD1 LEU 8 -16.018 4.408 -2.589 62 HD13 LEU 8 3HD1 LEU 8 -14.702 4.979 -3.616 63 HD21 LEU 8 3HD2 LEU 8 -16.475 7.645 -3.959 64 HD22 LEU 8 1HD2 LEU 8 -14.718 7.772 -3.870 65 HD23 LEU 8 2HD2 LEU 8 -15.724 8.608 -2.686 66 H ALA 9 H ALA 9 -17.526 5.527 1.331 67 HA ALA 9 HA ALA 9 -19.476 7.351 2.534 68 HB1 ALA 9 1HB ALA 9 -21.073 6.587 1.173 69 HB2 ALA 9 2HB ALA 9 -20.080 5.237 0.621 70 HB3 ALA 9 3HB ALA 9 -20.995 5.103 2.123 71 H ALA 10 H ALA 10 -18.710 7.194 4.580 72 HA ALA 10 HA ALA 10 -17.572 5.014 5.833 73 HB1 ALA 10 1HB ALA 10 -18.601 6.145 7.964 74 HB2 ALA 10 2HB ALA 10 -17.334 6.952 7.038 75 HB3 ALA 10 3HB ALA 10 -19.020 7.423 6.822 76 H GLY 11 H GLY 11 -18.299 3.257 6.953 77 HA2 GLY 11 1HA GLY 11 -21.183 2.692 6.706 78 HA3 GLY 11 2HA GLY 11 -19.921 1.470 6.757 79 H ASP 12 H ASP 12 -20.219 0.314 8.545 80 HA ASP 12 HA ASP 12 -21.229 1.541 10.966 81 HB2 ASP 12 1HB ASP 12 -21.478 -0.652 11.813 82 HB3 ASP 12 2HB ASP 12 -21.879 -0.775 10.102 83 H GLU 13 H GLU 13 -18.193 0.783 9.594 84 HA GLU 13 HA GLU 13 -16.065 0.620 10.454 85 HB2 GLU 13 1HB GLU 13 -15.409 2.616 11.683 86 HB3 GLU 13 2HB GLU 13 -16.505 3.040 10.376 87 HG2 GLU 13 1HG GLU 13 -18.273 3.470 11.835 88 HG3 GLU 13 2HG GLU 13 -17.504 2.604 13.164 89 H ALA 14 H ALA 14 -17.732 -1.204 11.741 90 HA ALA 14 HA ALA 14 -16.442 -1.317 14.368 91 HB1 ALA 14 1HB ALA 14 -19.168 -0.727 14.026 92 HB2 ALA 14 2HB ALA 14 -19.085 -2.394 14.598 93 HB3 ALA 14 3HB ALA 14 -18.321 -1.103 15.527 94 H THR 15 H THR 15 -18.276 -2.995 11.857 95 HA THR 15 HA THR 15 -17.163 -5.553 12.783 96 HB THR 15 HB THR 15 -19.411 -5.082 10.816 97 HG1 THR 15 HG1 THR 15 -19.926 -4.510 13.008 98 HG21 THR 15 3HG2 THR 15 -19.841 -7.541 11.370 99 HG22 THR 15 1HG2 THR 15 -18.199 -7.561 12.012 100 HG23 THR 15 2HG2 THR 15 -18.477 -7.182 10.312 101 H TYR 16 H TYR 16 -15.341 -6.128 11.805 102 HA TYR 16 HA TYR 16 -15.007 -5.467 8.953 103 HB2 TYR 16 1HB TYR 16 -12.918 -5.859 11.104 104 HB3 TYR 16 2HB TYR 16 -12.553 -5.656 9.394 105 HD1 TYR 16 HD1 TYR 16 -14.320 -3.960 12.208 106 HD2 TYR 16 HD2 TYR 16 -12.192 -3.523 8.550 107 HE1 TYR 16 HE1 TYR 16 -14.323 -1.519 12.505 108 HE2 TYR 16 HE2 TYR 16 -12.188 -1.080 8.837 109 HH TYR 16 HH TYR 16 -13.113 0.637 10.002 110 HA PRO 17 HA PRO 17 -14.829 -9.731 7.928 111 HB2 PRO 17 1HB PRO 17 -13.041 -9.710 5.886 112 HB3 PRO 17 2HB PRO 17 -14.683 -9.074 5.731 113 HG2 PRO 17 1HG PRO 17 -12.119 -7.604 6.206 114 HG3 PRO 17 2HG PRO 17 -13.460 -7.193 5.121 115 HD2 PRO 17 1HD PRO 17 -13.131 -6.021 7.540 116 HD3 PRO 17 2HD PRO 17 -14.732 -6.304 6.825 117 H LYS 18 H LYS 18 -13.818 -11.469 8.727 118 HA LYS 18 HA LYS 18 -11.234 -11.141 9.993 119 HB2 LYS 18 1HB LYS 18 -13.350 -12.471 10.833 120 HB3 LYS 18 2HB LYS 18 -12.661 -13.766 9.861 121 HG2 LYS 18 1HG LYS 18 -11.722 -14.220 11.889 122 HG3 LYS 18 2HG LYS 18 -10.479 -13.179 11.192 123 HD2 LYS 18 1HD LYS 18 -12.658 -11.877 12.730 124 HD3 LYS 18 2HD LYS 18 -11.453 -12.793 13.638 125 HE2 LYS 18 1HE LYS 18 -9.783 -11.430 12.116 126 HE3 LYS 18 2HE LYS 18 -11.143 -10.313 12.019 127 HZ1 LYS 18 3HZ LYS 18 -9.365 -10.137 13.920 128 HZ2 LYS 18 1HZ LYS 18 -10.353 -11.294 14.661 129 HZ3 LYS 18 2HZ LYS 18 -10.995 -9.794 14.215 130 H ALA 19 H ALA 19 -9.345 -12.153 9.433 131 HA ALA 19 HA ALA 19 -8.858 -12.699 6.735 132 HB1 ALA 19 1HB ALA 19 -6.901 -14.036 8.292 133 HB2 ALA 19 2HB ALA 19 -6.774 -12.485 7.460 134 HB3 ALA 19 3HB ALA 19 -7.341 -12.547 9.129 135 H GLY 20 H GLY 20 -9.230 -14.430 5.512 136 HA2 GLY 20 1HA GLY 20 -9.255 -16.715 4.978 137 HA3 GLY 20 2HA GLY 20 -9.195 -17.094 6.693 138 H GLN 21 H GLN 21 -11.492 -14.835 6.570 139 HA GLN 21 HA GLN 21 -13.616 -16.841 6.448 140 HB2 GLN 21 1HB GLN 21 -13.110 -14.533 8.069 141 HB3 GLN 21 2HB GLN 21 -14.648 -14.327 7.242 142 HG2 GLN 21 1HG GLN 21 -15.479 -16.382 8.152 143 HG3 GLN 21 2HG GLN 21 -13.905 -16.756 8.853 144 HE21 GLN 21 2HE2 GLN 21 -15.719 -13.722 8.797 145 HE22 GLN 21 1HE2 GLN 21 -15.836 -13.555 10.512 146 H VAL 22 H VAL 22 -15.725 -16.149 5.509 147 HA VAL 22 HA VAL 22 -15.281 -15.109 2.850 148 HB VAL 22 HB VAL 22 -17.875 -16.004 4.112 149 HG11 VAL 22 1HG1 VAL 22 -18.161 -16.496 1.495 150 HG12 VAL 22 2HG1 VAL 22 -18.630 -14.968 2.244 151 HG13 VAL 22 3HG1 VAL 22 -17.082 -15.104 1.410 152 HG21 VAL 22 3HG2 VAL 22 -15.886 -17.568 2.468 153 HG22 VAL 22 1HG2 VAL 22 -16.244 -17.802 4.179 154 HG23 VAL 22 2HG2 VAL 22 -17.478 -18.142 2.966 155 H ALA 23 H ALA 23 -15.995 -13.205 2.018 156 HA ALA 23 HA ALA 23 -17.553 -11.426 3.759 157 HB1 ALA 23 1HB ALA 23 -16.040 -9.549 2.844 158 HB2 ALA 23 2HB ALA 23 -15.431 -10.566 4.150 159 HB3 ALA 23 3HB ALA 23 -14.902 -10.850 2.492 160 H VAL 24 H VAL 24 -19.131 -10.332 2.742 161 HA VAL 24 HA VAL 24 -19.289 -10.600 -0.183 162 HB VAL 24 HB VAL 24 -21.554 -9.961 1.705 163 HG11 VAL 24 1HG1 VAL 24 -22.206 -9.261 -0.412 164 HG12 VAL 24 2HG1 VAL 24 -21.354 -10.580 -1.218 165 HG13 VAL 24 3HG1 VAL 24 -22.841 -10.904 -0.325 166 HG21 VAL 24 3HG2 VAL 24 -21.456 -12.089 2.363 167 HG22 VAL 24 1HG2 VAL 24 -21.943 -12.523 0.724 168 HG23 VAL 24 2HG2 VAL 24 -20.234 -12.482 1.154 169 H VAL 25 H VAL 25 -18.895 -8.845 -1.343 170 HA VAL 25 HA VAL 25 -19.795 -6.238 -0.378 171 HB VAL 25 HB VAL 25 -17.745 -5.135 -0.620 172 HG11 VAL 25 1HG1 VAL 25 -17.974 -6.743 1.360 173 HG12 VAL 25 2HG1 VAL 25 -16.801 -7.750 0.509 174 HG13 VAL 25 3HG1 VAL 25 -16.368 -6.112 0.999 175 HG21 VAL 25 3HG2 VAL 25 -15.709 -6.618 -1.424 176 HG22 VAL 25 1HG2 VAL 25 -16.991 -7.505 -2.248 177 HG23 VAL 25 2HG2 VAL 25 -16.756 -5.789 -2.575 178 H HIS 26 H HIS 26 -19.402 -4.536 -2.150 179 HA HIS 26 HA HIS 26 -20.058 -5.761 -4.747 180 HB2 HIS 26 1HB HIS 26 -21.240 -3.552 -3.240 181 HB3 HIS 26 2HB HIS 26 -20.878 -3.127 -4.910 182 HD1 HIS 26 HD1 HIS 26 -21.669 -5.503 -6.486 183 HD2 HIS 26 HD2 HIS 26 -23.841 -4.255 -3.171 184 HE1 HIS 26 HE1 HIS 26 -23.971 -6.467 -6.788 185 H TYR 27 H TYR 27 -18.571 -5.561 -6.273 186 HA TYR 27 HA TYR 27 -16.532 -3.467 -6.000 187 HB2 TYR 27 1HB TYR 27 -15.139 -4.819 -7.439 188 HB3 TYR 27 2HB TYR 27 -15.780 -5.837 -6.155 189 HD1 TYR 27 HD2 TYR 27 -16.103 -4.983 -9.736 190 HD2 TYR 27 HD1 TYR 27 -17.155 -7.711 -6.645 191 HE1 TYR 27 HE2 TYR 27 -16.973 -6.549 -11.422 192 HE2 TYR 27 HE1 TYR 27 -18.027 -9.285 -8.322 193 HH TYR 27 HH TYR 27 -17.406 -9.601 -11.046 194 H THR 28 H THR 28 -16.106 -2.011 -7.612 195 HA THR 28 HA THR 28 -17.766 -2.116 -10.032 196 HB THR 28 HB THR 28 -17.439 0.319 -8.268 197 HG1 THR 28 HG1 THR 28 -19.164 -0.593 -7.416 198 HG21 THR 28 3HG2 THR 28 -17.705 1.496 -10.150 199 HG22 THR 28 1HG2 THR 28 -19.346 0.853 -10.211 200 HG23 THR 28 2HG2 THR 28 -18.049 0.046 -11.093 201 H GLY 29 H GLY 29 -16.636 -1.757 -11.835 202 HA2 GLY 29 1HA GLY 29 -13.841 -1.325 -11.767 203 HA3 GLY 29 2HA GLY 29 -14.850 -1.305 -13.206 204 H THR 30 H THR 30 -12.587 0.429 -12.292 205 HA THR 30 HA THR 30 -13.647 2.902 -13.212 206 HB THR 30 HB THR 30 -12.539 3.648 -10.678 207 HG1 THR 30 HG1 THR 30 -13.558 2.383 -9.321 208 HG21 THR 30 3HG2 THR 30 -13.916 5.178 -11.800 209 HG22 THR 30 1HG2 THR 30 -14.905 4.621 -10.450 210 HG23 THR 30 2HG2 THR 30 -15.181 3.979 -12.070 211 H LEU 31 H LEU 31 -12.050 4.271 -13.908 212 HA LEU 31 HA LEU 31 -9.319 3.235 -13.705 213 HB2 LEU 31 1HB LEU 31 -10.720 5.049 -15.631 214 HB3 LEU 31 2HB LEU 31 -8.961 5.019 -15.543 215 HG LEU 31 HG LEU 31 -10.740 2.679 -16.227 216 HD11 LEU 31 1HD1 LEU 31 -10.405 4.622 -17.898 217 HD12 LEU 31 2HD1 LEU 31 -10.149 2.966 -18.447 218 HD13 LEU 31 3HD1 LEU 31 -8.766 3.989 -18.055 219 HD21 LEU 31 3HD2 LEU 31 -8.078 2.197 -16.954 220 HD22 LEU 31 1HD2 LEU 31 -9.008 1.402 -15.684 221 HD23 LEU 31 2HD2 LEU 31 -8.024 2.815 -15.303 222 H ALA 32 H ALA 32 -7.541 4.788 -13.485 223 HA ALA 32 HA ALA 32 -7.797 6.388 -11.208 224 HB1 ALA 32 1HB ALA 32 -5.611 5.957 -11.412 225 HB2 ALA 32 2HB ALA 32 -5.707 5.804 -13.167 226 HB3 ALA 32 3HB ALA 32 -5.573 7.399 -12.428 227 H ASP 33 H ASP 33 -8.476 7.070 -14.511 228 HA ASP 33 HA ASP 33 -8.325 9.944 -14.215 229 HB2 ASP 33 1HB ASP 33 -7.857 8.652 -16.367 230 HB3 ASP 33 2HB ASP 33 -9.601 8.441 -16.498 231 H GLY 34 H GLY 34 -10.588 7.513 -13.542 232 HA2 GLY 34 1HA GLY 34 -12.529 8.165 -12.226 233 HA3 GLY 34 2HA GLY 34 -12.702 9.558 -13.284 234 H LYS 35 H LYS 35 -11.970 7.529 -15.528 235 HA LYS 35 HA LYS 35 -14.489 7.200 -16.600 236 HB2 LYS 35 1HB LYS 35 -11.829 6.353 -17.227 237 HB3 LYS 35 2HB LYS 35 -12.923 4.999 -17.474 238 HG2 LYS 35 1HG LYS 35 -13.286 7.739 -18.668 239 HG3 LYS 35 2HG LYS 35 -12.576 6.355 -19.502 240 HD2 LYS 35 1HD LYS 35 -15.213 5.905 -18.253 241 HD3 LYS 35 2HD LYS 35 -15.188 7.002 -19.636 242 HE2 LYS 35 1HE LYS 35 -14.021 4.220 -19.619 243 HE3 LYS 35 2HE LYS 35 -15.610 4.640 -20.258 244 HZ1 LYS 35 3HZ LYS 35 -13.276 4.644 -21.656 245 HZ2 LYS 35 1HZ LYS 35 -13.521 6.284 -21.322 246 HZ3 LYS 35 2HZ LYS 35 -14.713 5.399 -22.131 247 H VAL 36 H VAL 36 -16.179 6.015 -16.025 248 HA VAL 36 HA VAL 36 -15.966 3.997 -13.996 249 HB VAL 36 HB VAL 36 -17.924 5.576 -14.279 250 HG11 VAL 36 1HG1 VAL 36 -19.665 4.969 -15.852 251 HG12 VAL 36 2HG1 VAL 36 -18.161 5.299 -16.715 252 HG13 VAL 36 3HG1 VAL 36 -18.686 3.634 -16.458 253 HG21 VAL 36 3HG2 VAL 36 -19.286 3.028 -14.259 254 HG22 VAL 36 1HG2 VAL 36 -17.790 2.964 -13.327 255 HG23 VAL 36 2HG2 VAL 36 -19.018 4.170 -12.942 256 H PHE 37 H PHE 37 -16.208 1.805 -14.182 257 HA PHE 37 HA PHE 37 -16.341 0.718 -16.917 258 HB2 PHE 37 1HB PHE 37 -14.390 0.218 -14.743 259 HB3 PHE 37 2HB PHE 37 -14.928 -1.195 -15.645 260 HD1 PHE 37 HD1 PHE 37 -13.796 2.297 -16.328 261 HD2 PHE 37 HD2 PHE 37 -13.665 -1.805 -17.454 262 HE1 PHE 37 HE1 PHE 37 -12.201 2.843 -18.120 263 HE2 PHE 37 HE2 PHE 37 -12.069 -1.266 -19.246 264 HZ PHE 37 HZ PHE 37 -11.334 1.060 -19.581 265 H ASP 38 H ASP 38 -16.565 -1.889 -16.537 266 HA ASP 38 HA ASP 38 -19.219 -2.295 -15.803 267 HB2 ASP 38 1HB ASP 38 -17.530 -3.774 -17.182 268 HB3 ASP 38 2HB ASP 38 -17.264 -4.554 -15.625 269 H SER 39 H SER 39 -20.242 -2.751 -13.946 270 HA SER 39 HA SER 39 -18.594 -3.263 -11.557 271 HB2 SER 39 1HB SER 39 -19.892 -1.796 -10.259 272 HB3 SER 39 2HB SER 39 -19.682 -0.927 -11.779 273 HG SER 39 HG SER 39 -21.752 -1.065 -12.133 274 H SER 40 H SER 40 -19.662 -4.442 -9.841 275 HA SER 40 HA SER 40 -21.230 -6.615 -10.878 276 HB2 SER 40 1HB SER 40 -20.012 -7.592 -9.254 277 HB3 SER 40 2HB SER 40 -19.691 -6.051 -8.459 278 HG SER 40 HG SER 40 -21.496 -7.966 -7.828 279 H ARG 41 H ARG 41 -21.833 -3.700 -9.089 280 HA ARG 41 HA ARG 41 -24.331 -4.383 -7.971 281 HB2 ARG 41 1HB ARG 41 -24.674 -1.882 -7.892 282 HB3 ARG 41 2HB ARG 41 -23.213 -2.470 -7.110 283 HG2 ARG 41 1HG ARG 41 -21.849 -1.721 -8.899 284 HG3 ARG 41 2HG ARG 41 -23.254 -1.391 -9.914 285 HD2 ARG 41 1HD ARG 41 -23.848 0.157 -7.805 286 HD3 ARG 41 2HD ARG 41 -22.088 0.187 -7.704 287 HE ARG 41 HE ARG 41 -22.028 1.462 -9.611 288 HH11 ARG 41 1HH1 ARG 41 -25.214 0.115 -9.215 289 HH12 ARG 41 2HH1 ARG 41 -25.915 1.065 -10.483 290 HH21 ARG 41 1HH2 ARG 41 -22.940 2.718 -11.283 291 HH22 ARG 41 2HH2 ARG 41 -24.620 2.544 -11.659 292 H THR 42 H THR 42 -23.390 -3.111 -11.109 293 HA THR 42 HA THR 42 -25.907 -2.341 -12.055 294 HB THR 42 HB THR 42 -23.675 -3.515 -13.722 295 HG1 THR 42 HG1 THR 42 -24.106 -0.786 -13.021 296 HG21 THR 42 3HG2 THR 42 -26.251 -2.503 -14.376 297 HG22 THR 42 1HG2 THR 42 -24.979 -3.051 -15.466 298 HG23 THR 42 2HG2 THR 42 -25.046 -1.361 -14.968 299 H ARG 43 H ARG 43 -24.572 -5.466 -11.519 300 HA ARG 43 HA ARG 43 -26.537 -6.777 -13.232 301 HB2 ARG 43 1HB ARG 43 -24.044 -7.472 -12.931 302 HB3 ARG 43 2HB ARG 43 -24.608 -8.220 -11.443 303 HG2 ARG 43 1HG ARG 43 -24.620 -9.916 -13.070 304 HG3 ARG 43 2HG ARG 43 -26.307 -9.446 -12.853 305 HD2 ARG 43 1HD ARG 43 -25.704 -9.739 -15.223 306 HD3 ARG 43 2HD ARG 43 -26.225 -8.095 -14.856 307 HE ARG 43 HE ARG 43 -23.439 -8.211 -14.632 308 HH11 ARG 43 1HH1 ARG 43 -25.919 -8.440 -17.064 309 HH12 ARG 43 2HH1 ARG 43 -24.911 -7.833 -18.336 310 HH21 ARG 43 1HH2 ARG 43 -22.101 -7.411 -16.298 311 HH22 ARG 43 2HH2 ARG 43 -22.739 -7.250 -17.899 312 H GLY 44 H GLY 44 -26.224 -5.729 -10.032 313 HA2 GLY 44 1HA GLY 44 -27.712 -5.881 -8.276 314 HA3 GLY 44 2HA GLY 44 -28.756 -6.848 -9.307 315 H LYS 45 H LYS 45 -25.412 -7.628 -8.572 316 HA LYS 45 HA LYS 45 -26.225 -9.658 -6.646 317 HB2 LYS 45 1HB LYS 45 -25.365 -10.216 -9.403 318 HB3 LYS 45 2HB LYS 45 -24.494 -11.125 -8.174 319 HG2 LYS 45 1HG LYS 45 -26.844 -11.684 -7.257 320 HG3 LYS 45 2HG LYS 45 -27.404 -11.179 -8.854 321 HD2 LYS 45 1HD LYS 45 -25.183 -13.172 -8.553 322 HD3 LYS 45 2HD LYS 45 -26.873 -13.674 -8.460 323 HE2 LYS 45 1HE LYS 45 -26.403 -13.970 -10.702 324 HE3 LYS 45 2HE LYS 45 -27.114 -12.357 -10.685 325 HZ1 LYS 45 3HZ LYS 45 -24.686 -13.046 -11.735 326 HZ2 LYS 45 1HZ LYS 45 -24.291 -12.283 -10.277 327 HZ3 LYS 45 2HZ LYS 45 -25.232 -11.475 -11.428 328 HA PRO 46 HA PRO 46 -22.437 -7.937 -4.998 329 HB2 PRO 46 1HB PRO 46 -22.607 -9.209 -2.606 330 HB3 PRO 46 2HB PRO 46 -23.552 -7.767 -2.997 331 HG2 PRO 46 1HG PRO 46 -24.373 -10.645 -3.060 332 HG3 PRO 46 2HG PRO 46 -25.266 -9.240 -2.450 333 HD2 PRO 46 1HD PRO 46 -25.757 -10.337 -4.877 334 HD3 PRO 46 2HD PRO 46 -25.949 -8.601 -4.557 335 H PHE 47 H PHE 47 -20.360 -8.702 -4.596 336 HA PHE 47 HA PHE 47 -19.903 -11.479 -5.413 337 HB2 PHE 47 1HB PHE 47 -18.768 -9.344 -6.461 338 HB3 PHE 47 2HB PHE 47 -17.688 -9.496 -5.079 339 HD1 PHE 47 HD1 PHE 47 -19.169 -11.613 -7.770 340 HD2 PHE 47 HD2 PHE 47 -15.785 -10.750 -5.337 341 HE1 PHE 47 HE1 PHE 47 -17.867 -13.313 -8.982 342 HE2 PHE 47 HE2 PHE 47 -14.478 -12.448 -6.545 343 HZ PHE 47 HZ PHE 47 -15.518 -13.732 -8.371 344 H ARG 48 H ARG 48 -19.446 -12.952 -3.929 345 HA ARG 48 HA ARG 48 -18.325 -12.056 -1.356 346 HB2 ARG 48 1HB ARG 48 -19.350 -14.114 -0.400 347 HB3 ARG 48 2HB ARG 48 -20.527 -12.977 -1.044 348 HG2 ARG 48 1HG ARG 48 -21.238 -14.406 -2.621 349 HG3 ARG 48 2HG ARG 48 -19.616 -15.022 -2.942 350 HD2 ARG 48 1HD ARG 48 -20.388 -16.881 -1.937 351 HD3 ARG 48 2HD ARG 48 -20.039 -15.994 -0.454 352 HE ARG 48 HE ARG 48 -22.642 -15.374 -1.313 353 HH11 ARG 48 1HH1 ARG 48 -20.809 -18.013 0.027 354 HH12 ARG 48 2HH1 ARG 48 -22.173 -18.728 0.821 355 HH21 ARG 48 1HH2 ARG 48 -24.445 -16.306 -0.273 356 HH22 ARG 48 2HH2 ARG 48 -24.240 -17.757 0.649 357 H PHE 49 H PHE 49 -16.503 -12.994 -0.584 358 HA PHE 49 HA PHE 49 -15.487 -15.468 -1.626 359 HB2 PHE 49 1HB PHE 49 -13.449 -14.603 -2.611 360 HB3 PHE 49 2HB PHE 49 -14.833 -13.862 -3.408 361 HD1 PHE 49 HD2 PHE 49 -12.052 -13.305 -1.080 362 HD2 PHE 49 HD1 PHE 49 -15.259 -11.518 -3.232 363 HE1 PHE 49 HE2 PHE 49 -11.131 -11.076 -0.594 364 HE2 PHE 49 HE1 PHE 49 -14.343 -9.285 -2.750 365 HZ PHE 49 HZ PHE 49 -12.277 -9.063 -1.428 366 H THR 50 H THR 50 -13.378 -16.043 -0.620 367 HA THR 50 HA THR 50 -13.417 -15.284 2.167 368 HB THR 50 HB THR 50 -11.626 -17.223 0.691 369 HG1 THR 50 HG1 THR 50 -13.485 -18.279 0.761 370 HG21 THR 50 3HG2 THR 50 -11.812 -16.410 3.560 371 HG22 THR 50 1HG2 THR 50 -10.386 -16.753 2.582 372 HG23 THR 50 2HG2 THR 50 -11.400 -18.076 3.157 373 H VAL 51 H VAL 51 -12.424 -13.487 2.803 374 HA VAL 51 HA VAL 51 -10.444 -12.124 1.341 375 HB VAL 51 HB VAL 51 -10.916 -11.866 4.310 376 HG11 VAL 51 1HG1 VAL 51 -10.411 -9.394 3.528 377 HG12 VAL 51 2HG1 VAL 51 -9.110 -10.526 3.902 378 HG13 VAL 51 3HG1 VAL 51 -9.569 -10.231 2.224 379 HG21 VAL 51 3HG2 VAL 51 -12.538 -10.931 1.984 380 HG22 VAL 51 1HG2 VAL 51 -13.068 -11.594 3.530 381 HG23 VAL 51 2HG2 VAL 51 -12.455 -9.943 3.442 382 H GLY 52 H GLY 52 -8.552 -13.094 0.885 383 HA2 GLY 52 1HA GLY 52 -6.293 -13.258 1.941 384 HA3 GLY 52 2HA GLY 52 -7.062 -14.282 3.145 385 H ARG 53 H ARG 53 -8.708 -15.319 0.708 386 HA ARG 53 HA ARG 53 -7.030 -17.604 0.260 387 HB2 ARG 53 1HB ARG 53 -9.804 -16.805 -0.489 388 HB3 ARG 53 2HB ARG 53 -9.029 -18.082 -1.416 389 HG2 ARG 53 1HG ARG 53 -9.247 -18.131 1.581 390 HG3 ARG 53 2HG ARG 53 -10.455 -18.836 0.506 391 HD2 ARG 53 1HD ARG 53 -7.583 -19.573 0.172 392 HD3 ARG 53 2HD ARG 53 -8.516 -20.302 1.478 393 HE ARG 53 HE ARG 53 -9.931 -20.516 -0.954 394 HH11 ARG 53 1HH1 ARG 53 -7.165 -21.821 0.710 395 HH12 ARG 53 2HH1 ARG 53 -7.238 -23.351 -0.098 396 HH21 ARG 53 1HH2 ARG 53 -10.037 -22.527 -2.024 397 HH22 ARG 53 2HH2 ARG 53 -8.871 -23.752 -1.654 398 H GLY 54 H GLY 54 -6.942 -18.464 -2.105 399 HA2 GLY 54 1HA GLY 54 -5.615 -16.374 -3.661 400 HA3 GLY 54 2HA GLY 54 -5.477 -18.107 -3.920 401 H GLU 55 H GLU 55 -8.647 -16.874 -3.468 402 HA GLU 55 HA GLU 55 -9.305 -17.546 -6.214 403 HB2 GLU 55 1HB GLU 55 -11.099 -16.647 -3.952 404 HB3 GLU 55 2HB GLU 55 -11.633 -17.279 -5.503 405 HG2 GLU 55 1HG GLU 55 -9.885 -18.882 -3.674 406 HG3 GLU 55 2HG GLU 55 -11.639 -18.855 -3.498 407 H VAL 56 H VAL 56 -8.808 -14.737 -4.266 408 HA VAL 56 HA VAL 56 -9.817 -13.029 -6.446 409 HB VAL 56 HB VAL 56 -9.847 -11.205 -4.700 410 HG11 VAL 56 1HG1 VAL 56 -12.015 -11.712 -4.031 411 HG12 VAL 56 2HG1 VAL 56 -11.812 -12.681 -5.492 412 HG13 VAL 56 3HG1 VAL 56 -11.677 -13.438 -3.905 413 HG21 VAL 56 3HG2 VAL 56 -8.433 -12.974 -3.182 414 HG22 VAL 56 1HG2 VAL 56 -9.291 -11.566 -2.556 415 HG23 VAL 56 2HG2 VAL 56 -10.059 -13.154 -2.522 416 H ILE 57 H ILE 57 -8.633 -10.722 -6.144 417 HA ILE 57 HA ILE 57 -5.807 -11.321 -6.584 418 HB ILE 57 HB ILE 57 -5.704 -8.992 -7.486 419 HG12 ILE 57 1HG1 ILE 57 -8.673 -8.921 -7.649 420 HG13 ILE 57 2HG1 ILE 57 -7.945 -8.502 -6.101 421 HG21 ILE 57 1HG2 ILE 57 -7.033 -9.511 -9.540 422 HG22 ILE 57 2HG2 ILE 57 -5.946 -10.799 -9.024 423 HG23 ILE 57 3HG2 ILE 57 -7.674 -10.921 -8.697 424 HD11 ILE 57 3HD1 ILE 57 -7.284 -7.198 -8.730 425 HD12 ILE 57 1HD1 ILE 57 -8.382 -6.546 -7.514 426 HD13 ILE 57 2HD1 ILE 57 -6.668 -6.740 -7.143 427 H ARG 58 H ARG 58 -4.169 -9.823 -5.757 428 HA ARG 58 HA ARG 58 -4.185 -9.582 -3.009 429 HB2 ARG 58 1HB ARG 58 -2.634 -7.886 -4.975 430 HB3 ARG 58 2HB ARG 58 -2.256 -8.081 -3.269 431 HG2 ARG 58 1HG ARG 58 -2.263 -10.304 -5.299 432 HG3 ARG 58 2HG ARG 58 -0.829 -9.448 -4.730 433 HD2 ARG 58 1HD ARG 58 -2.714 -11.104 -3.057 434 HD3 ARG 58 2HD ARG 58 -1.083 -11.555 -3.551 435 HE ARG 58 HE ARG 58 -0.740 -9.211 -2.216 436 HH11 ARG 58 1HH1 ARG 58 -2.255 -12.250 -1.450 437 HH12 ARG 58 2HH1 ARG 58 -1.925 -12.135 0.247 438 HH21 ARG 58 1HH2 ARG 58 -0.300 -9.048 0.016 439 HH22 ARG 58 2HH2 ARG 58 -0.814 -10.313 1.080 440 H GLY 59 H GLY 59 -4.974 -7.106 -5.431 441 HA2 GLY 59 1HA GLY 59 -5.312 -4.900 -3.825 442 HA3 GLY 59 2HA GLY 59 -6.277 -5.219 -5.259 443 H TRP 60 H TRP 60 -7.992 -7.050 -4.788 444 HA TRP 60 HA TRP 60 -9.895 -5.966 -3.075 445 HB2 TRP 60 1HB TRP 60 -9.600 -8.675 -4.344 446 HB3 TRP 60 2HB TRP 60 -10.946 -8.329 -3.262 447 HD1 TRP 60 HD1 TRP 60 -10.567 -5.163 -4.823 448 HE1 TRP 60 HE1 TRP 60 -12.047 -4.897 -6.911 449 HE3 TRP 60 HE3 TRP 60 -11.699 -10.080 -5.647 450 HZ2 TRP 60 HZ2 TRP 60 -13.503 -6.552 -8.675 451 HZ3 TRP 60 HZ3 TRP 60 -13.142 -10.654 -7.556 452 HH2 TRP 60 HH2 TRP 60 -14.025 -8.925 -9.037 453 H ASP 61 H ASP 61 -7.610 -8.613 -2.530 454 HA ASP 61 HA ASP 61 -8.482 -9.574 -0.107 455 HB2 ASP 61 1HB ASP 61 -6.398 -10.185 -1.616 456 HB3 ASP 61 2HB ASP 61 -5.547 -9.149 -0.473 457 H GLU 62 H GLU 62 -5.922 -7.108 -0.447 458 HA GLU 62 HA GLU 62 -5.962 -6.375 2.277 459 HB2 GLU 62 1HB GLU 62 -4.843 -5.119 -0.207 460 HB3 GLU 62 2HB GLU 62 -4.804 -4.248 1.319 461 HG2 GLU 62 1HG GLU 62 -3.751 -7.033 1.192 462 HG3 GLU 62 2HG GLU 62 -2.778 -5.701 0.571 463 H GLY 63 H GLY 63 -7.458 -4.921 -0.595 464 HA2 GLY 63 1HA GLY 63 -8.516 -2.623 0.504 465 HA3 GLY 63 2HA GLY 63 -9.279 -3.532 -0.792 466 H VAL 64 H VAL 64 -10.351 -5.659 0.119 467 HA VAL 64 HA VAL 64 -12.504 -4.832 1.735 468 HB VAL 64 HB VAL 64 -12.560 -6.708 0.064 469 HG11 VAL 64 1HG1 VAL 64 -11.559 -8.723 0.410 470 HG12 VAL 64 2HG1 VAL 64 -10.407 -7.696 1.266 471 HG13 VAL 64 3HG1 VAL 64 -11.636 -8.586 2.166 472 HG21 VAL 64 3HG2 VAL 64 -14.388 -7.608 1.069 473 HG22 VAL 64 1HG2 VAL 64 -13.552 -7.873 2.599 474 HG23 VAL 64 2HG2 VAL 64 -14.129 -6.261 2.178 475 H ALA 65 H ALA 65 -9.489 -6.461 2.465 476 HA ALA 65 HA ALA 65 -10.063 -7.450 5.006 477 HB1 ALA 65 1HB ALA 65 -7.562 -6.604 3.623 478 HB2 ALA 65 2HB ALA 65 -7.510 -6.971 5.348 479 HB3 ALA 65 3HB ALA 65 -8.047 -8.198 4.201 480 H GLN 66 H GLN 66 -9.061 -4.223 3.983 481 HA GLN 66 HA GLN 66 -9.192 -3.292 6.757 482 HB2 GLN 66 1HB GLN 66 -8.059 -1.305 6.007 483 HB3 GLN 66 2HB GLN 66 -7.204 -2.706 5.377 484 HG2 GLN 66 1HG GLN 66 -8.507 -2.370 3.236 485 HG3 GLN 66 2HG GLN 66 -9.001 -0.813 3.899 486 HE21 GLN 66 2HE2 GLN 66 -6.810 -2.308 1.968 487 HE22 GLN 66 1HE2 GLN 66 -5.530 -1.150 2.027 488 H MET 67 H MET 67 -11.543 -3.990 5.067 489 HA MET 67 HA MET 67 -12.852 -1.356 4.959 490 HB2 MET 67 1HB MET 67 -13.312 -3.916 3.462 491 HB3 MET 67 2HB MET 67 -14.607 -2.736 3.619 492 HG2 MET 67 1HG MET 67 -11.976 -1.753 2.684 493 HG3 MET 67 2HG MET 67 -12.917 -2.750 1.576 494 HE1 MET 67 3HE MET 67 -15.895 -2.065 2.032 495 HE2 MET 67 1HE MET 67 -16.100 -0.706 0.926 496 HE3 MET 67 2HE MET 67 -15.101 -2.082 0.457 497 H SER 68 H SER 68 -15.134 -1.289 5.616 498 HA SER 68 HA SER 68 -15.731 -3.233 7.749 499 HB2 SER 68 1HB SER 68 -16.879 -1.280 8.917 500 HB3 SER 68 2HB SER 68 -15.116 -1.233 8.882 501 HG SER 68 HG SER 68 -16.768 0.610 8.024 502 H VAL 69 H VAL 69 -17.908 -3.757 8.086 503 HA VAL 69 HA VAL 69 -19.506 -4.052 5.848 504 HB VAL 69 HB VAL 69 -20.385 -3.948 8.737 505 HG11 VAL 69 1HG1 VAL 69 -21.803 -4.766 6.227 506 HG12 VAL 69 2HG1 VAL 69 -22.238 -5.464 7.788 507 HG13 VAL 69 3HG1 VAL 69 -22.365 -3.723 7.532 508 HG21 VAL 69 3HG2 VAL 69 -19.543 -5.996 8.984 509 HG22 VAL 69 1HG2 VAL 69 -20.286 -6.552 7.484 510 HG23 VAL 69 2HG2 VAL 69 -18.713 -5.757 7.446 511 H GLY 70 H GLY 70 -20.842 -2.768 4.742 512 HA2 GLY 70 1HA GLY 70 -22.355 -1.056 4.325 513 HA3 GLY 70 2HA GLY 70 -22.217 -0.565 6.007 514 H GLN 71 H GLN 71 -19.187 -0.928 4.600 515 HA GLN 71 HA GLN 71 -18.975 1.983 4.263 516 HB2 GLN 71 1HB GLN 71 -17.534 0.603 5.950 517 HB3 GLN 71 2HB GLN 71 -16.607 0.164 4.522 518 HG2 GLN 71 1HG GLN 71 -16.835 2.891 4.293 519 HG3 GLN 71 2HG GLN 71 -16.657 2.647 6.030 520 HE21 GLN 71 2HE2 GLN 71 -15.148 2.422 2.933 521 HE22 GLN 71 1HE2 GLN 71 -13.554 2.068 3.498 522 H ARG 72 H ARG 72 -18.160 2.874 2.415 523 HA ARG 72 HA ARG 72 -17.423 1.028 0.245 524 HB2 ARG 72 1HB ARG 72 -19.677 1.736 -0.210 525 HB3 ARG 72 2HB ARG 72 -19.260 3.418 0.091 526 HG2 ARG 72 1HG ARG 72 -18.015 3.574 -1.901 527 HG3 ARG 72 2HG ARG 72 -18.007 1.823 -2.120 528 HD2 ARG 72 1HD ARG 72 -19.592 2.729 -3.651 529 HD3 ARG 72 2HD ARG 72 -20.494 1.928 -2.365 530 HE ARG 72 HE ARG 72 -20.256 4.581 -1.622 531 HH11 ARG 72 1HH1 ARG 72 -21.670 2.766 -4.235 532 HH12 ARG 72 2HH1 ARG 72 -22.934 3.915 -4.523 533 HH21 ARG 72 1HH2 ARG 72 -21.915 6.102 -1.992 534 HH22 ARG 72 2HH2 ARG 72 -23.072 5.813 -3.247 535 H ALA 73 H ALA 73 -15.678 1.589 -0.940 536 HA ALA 73 HA ALA 73 -14.689 4.299 -0.998 537 HB1 ALA 73 1HB ALA 73 -13.790 3.570 1.135 538 HB2 ALA 73 2HB ALA 73 -13.072 2.152 0.369 539 HB3 ALA 73 3HB ALA 73 -12.491 3.765 -0.043 540 H LYS 74 H LYS 74 -12.640 4.437 -2.305 541 HA LYS 74 HA LYS 74 -12.870 2.613 -4.572 542 HB2 LYS 74 1HB LYS 74 -11.835 5.367 -4.162 543 HB3 LYS 74 2HB LYS 74 -11.064 4.405 -5.416 544 HG2 LYS 74 1HG LYS 74 -12.883 4.441 -6.759 545 HG3 LYS 74 2HG LYS 74 -14.019 4.456 -5.408 546 HD2 LYS 74 1HD LYS 74 -14.304 6.594 -6.154 547 HD3 LYS 74 2HD LYS 74 -12.965 6.861 -5.035 548 HE2 LYS 74 1HE LYS 74 -11.398 7.001 -6.760 549 HE3 LYS 74 2HE LYS 74 -12.467 6.214 -7.920 550 HZ1 LYS 74 3HZ LYS 74 -12.127 8.749 -8.046 551 HZ2 LYS 74 1HZ LYS 74 -13.212 8.812 -6.750 552 HZ3 LYS 74 2HZ LYS 74 -13.692 8.129 -8.220 553 H LEU 75 H LEU 75 -11.471 1.023 -4.926 554 HA LEU 75 HA LEU 75 -9.020 0.929 -3.324 555 HB2 LEU 75 1HB LEU 75 -10.673 -0.967 -3.301 556 HB3 LEU 75 2HB LEU 75 -10.233 -1.273 -4.980 557 HG LEU 75 HG LEU 75 -7.871 -1.631 -4.183 558 HD11 LEU 75 1HD1 LEU 75 -7.691 -2.252 -1.753 559 HD12 LEU 75 2HD1 LEU 75 -9.251 -1.465 -1.515 560 HD13 LEU 75 3HD1 LEU 75 -7.870 -0.529 -2.085 561 HD21 LEU 75 3HD2 LEU 75 -10.164 -3.339 -4.012 562 HD22 LEU 75 1HD2 LEU 75 -9.005 -3.769 -2.754 563 HD23 LEU 75 2HD2 LEU 75 -8.501 -3.742 -4.444 564 H VAL 76 H VAL 76 -7.577 2.173 -4.451 565 HA VAL 76 HA VAL 76 -7.121 1.547 -7.280 566 HB VAL 76 HB VAL 76 -7.356 3.893 -6.897 567 HG11 VAL 76 1HG1 VAL 76 -5.965 3.303 -4.453 568 HG12 VAL 76 2HG1 VAL 76 -5.184 4.641 -5.297 569 HG13 VAL 76 3HG1 VAL 76 -6.898 4.733 -4.892 570 HG21 VAL 76 3HG2 VAL 76 -5.404 2.932 -8.330 571 HG22 VAL 76 1HG2 VAL 76 -5.470 4.661 -7.988 572 HG23 VAL 76 2HG2 VAL 76 -4.384 3.621 -7.067 573 H CYS 77 H CYS 77 -5.820 -0.190 -7.438 574 HA CYS 77 HA CYS 77 -3.242 -0.069 -6.021 575 HB2 CYS 77 1HB CYS 77 -3.291 -2.574 -5.962 576 HB3 CYS 77 2HB CYS 77 -4.516 -1.807 -4.958 577 HG CYS 77 HG CYS 77 -4.943 -3.514 -7.872 578 H SER 78 H SER 78 -1.513 -1.328 -7.098 579 HA SER 78 HA SER 78 -1.327 -0.614 -9.831 580 HB2 SER 78 1HB SER 78 0.417 -1.682 -7.795 581 HB3 SER 78 2HB SER 78 0.645 -2.556 -9.310 582 HG SER 78 HG SER 78 1.675 -0.267 -8.714 583 HA PRO 79 HA PRO 79 -2.800 -4.110 -12.032 584 HB2 PRO 79 1HB PRO 79 -0.893 -4.525 -13.920 585 HB3 PRO 79 2HB PRO 79 -1.999 -3.147 -13.959 586 HG2 PRO 79 1HG PRO 79 0.834 -3.275 -13.002 587 HG3 PRO 79 2HG PRO 79 0.040 -2.031 -13.985 588 HD2 PRO 79 1HD PRO 79 0.466 -1.735 -11.327 589 HD3 PRO 79 2HD PRO 79 -0.938 -1.029 -12.154 590 H ASP 80 H ASP 80 0.476 -4.335 -10.799 591 HA ASP 80 HA ASP 80 0.893 -7.085 -11.256 592 HB2 ASP 80 1HB ASP 80 2.045 -5.339 -9.069 593 HB3 ASP 80 2HB ASP 80 2.677 -6.901 -9.582 594 H TYR 81 H TYR 81 -0.987 -5.381 -8.923 595 HA TYR 81 HA TYR 81 -1.321 -7.825 -7.324 596 HB2 TYR 81 1HB TYR 81 -1.572 -4.914 -6.717 597 HB3 TYR 81 2HB TYR 81 -2.585 -6.040 -5.820 598 HD1 TYR 81 HD2 TYR 81 0.842 -6.754 -7.009 599 HD2 TYR 81 HD1 TYR 81 -1.607 -5.767 -3.673 600 HE1 TYR 81 HE2 TYR 81 2.721 -7.231 -5.496 601 HE2 TYR 81 HE1 TYR 81 0.265 -6.241 -2.150 602 HH TYR 81 HH TYR 81 3.485 -6.926 -3.356 603 H ALA 82 H ALA 82 -2.628 -6.754 -9.960 604 HA ALA 82 HA ALA 82 -5.311 -7.663 -9.236 605 HB1 ALA 82 1HB ALA 82 -5.076 -5.078 -9.286 606 HB2 ALA 82 2HB ALA 82 -5.072 -5.290 -11.037 607 HB3 ALA 82 3HB ALA 82 -6.450 -5.841 -10.085 608 H TYR 83 H TYR 83 -6.520 -7.212 -11.704 609 HA TYR 83 HA TYR 83 -5.355 -9.354 -13.236 610 HB2 TYR 83 1HB TYR 83 -7.649 -7.710 -14.233 611 HB3 TYR 83 2HB TYR 83 -7.362 -9.439 -14.394 612 HD1 TYR 83 HD1 TYR 83 -7.758 -10.937 -12.435 613 HD2 TYR 83 HD2 TYR 83 -8.883 -6.834 -12.404 614 HE1 TYR 83 HE1 TYR 83 -9.252 -11.367 -10.529 615 HE2 TYR 83 HE2 TYR 83 -10.379 -7.252 -10.497 616 HH TYR 83 HH TYR 83 -10.583 -8.918 -8.648 617 H GLY 84 H GLY 84 -4.612 -6.185 -13.040 618 HA2 GLY 84 1HA GLY 84 -4.542 -5.121 -15.575 619 HA3 GLY 84 2HA GLY 84 -3.306 -4.828 -14.360 620 H SER 85 H SER 85 -2.546 -7.676 -14.269 621 HA SER 85 HA SER 85 -0.396 -7.670 -15.986 622 HB2 SER 85 1HB SER 85 -0.601 -9.223 -14.095 623 HB3 SER 85 2HB SER 85 -1.884 -10.091 -14.939 624 HG SER 85 HG SER 85 0.856 -9.913 -15.610 625 H ARG 86 H ARG 86 -3.141 -9.890 -16.457 626 HA ARG 86 HA ARG 86 -2.576 -10.486 -19.118 627 HB2 ARG 86 1HB ARG 86 -4.057 -11.945 -18.034 628 HB3 ARG 86 2HB ARG 86 -5.085 -10.633 -17.474 629 HG2 ARG 86 1HG ARG 86 -6.095 -11.998 -19.272 630 HG3 ARG 86 2HG ARG 86 -5.952 -10.287 -19.680 631 HD2 ARG 86 1HD ARG 86 -4.650 -10.734 -21.431 632 HD3 ARG 86 2HD ARG 86 -3.591 -11.759 -20.461 633 HE ARG 86 HE ARG 86 -5.670 -12.616 -22.228 634 HH11 ARG 86 1HH1 ARG 86 -3.909 -13.428 -19.336 635 HH12 ARG 86 2HH1 ARG 86 -4.181 -15.132 -19.493 636 HH21 ARG 86 1HH2 ARG 86 -6.035 -14.857 -22.445 637 HH22 ARG 86 2HH2 ARG 86 -5.390 -15.943 -21.262 638 H GLY 87 H GLY 87 -5.126 -8.297 -17.900 639 HA2 GLY 87 1HA GLY 87 -6.022 -6.386 -18.810 640 HA3 GLY 87 2HA GLY 87 -4.583 -6.280 -19.814 641 H HIS 88 H HIS 88 -7.507 -5.857 -20.364 642 HA HIS 88 HA HIS 88 -7.601 -7.509 -22.785 643 HB2 HIS 88 1HB HIS 88 -9.617 -7.385 -20.610 644 HB3 HIS 88 2HB HIS 88 -10.233 -7.379 -22.260 645 HD1 HIS 88 HD1 HIS 88 -8.560 -9.392 -23.670 646 HD2 HIS 88 HD2 HIS 88 -9.825 -9.932 -19.750 647 HE1 HIS 88 HE1 HIS 88 -8.472 -11.874 -23.271 648 HA PRO 89 HA PRO 89 -8.617 -3.794 -24.887 649 HB2 PRO 89 1HB PRO 89 -10.258 -4.703 -26.849 650 HB3 PRO 89 2HB PRO 89 -8.515 -5.001 -26.839 651 HG2 PRO 89 1HG PRO 89 -10.750 -6.805 -25.994 652 HG3 PRO 89 2HG PRO 89 -9.300 -7.188 -26.940 653 HD2 PRO 89 1HD PRO 89 -9.508 -7.751 -24.300 654 HD3 PRO 89 2HD PRO 89 -7.964 -7.332 -25.067 655 H GLY 90 H GLY 90 -9.860 -2.288 -23.953 656 HA2 GLY 90 1HA GLY 90 -11.787 -1.090 -23.510 657 HA3 GLY 90 2HA GLY 90 -12.712 -2.370 -24.281 658 H VAL 91 H VAL 91 -10.638 -3.586 -21.923 659 HA VAL 91 HA VAL 91 -12.763 -3.503 -19.883 660 HB VAL 91 HB VAL 91 -11.021 -5.906 -20.436 661 HG11 VAL 91 1HG1 VAL 91 -13.578 -6.033 -18.934 662 HG12 VAL 91 2HG1 VAL 91 -12.098 -6.973 -18.735 663 HG13 VAL 91 3HG1 VAL 91 -12.183 -5.321 -18.124 664 HG21 VAL 91 3HG2 VAL 91 -13.236 -6.895 -21.240 665 HG22 VAL 91 1HG2 VAL 91 -13.790 -5.226 -21.378 666 HG23 VAL 91 2HG2 VAL 91 -12.408 -5.777 -22.325 667 H ILE 92 H ILE 92 -9.344 -4.407 -20.360 668 HA ILE 92 HA ILE 92 -8.639 -2.807 -18.020 669 HB ILE 92 HB ILE 92 -7.822 -5.699 -18.322 670 HG12 ILE 92 1HG1 ILE 92 -9.570 -4.328 -16.268 671 HG13 ILE 92 2HG1 ILE 92 -10.120 -5.445 -17.512 672 HG21 ILE 92 1HG2 ILE 92 -6.052 -4.202 -17.431 673 HG22 ILE 92 2HG2 ILE 92 -7.142 -3.761 -16.118 674 HG23 ILE 92 3HG2 ILE 92 -6.587 -5.427 -16.281 675 HD11 ILE 92 3HD1 ILE 92 -8.563 -5.998 -15.028 676 HD12 ILE 92 1HD1 ILE 92 -10.029 -6.770 -15.629 677 HD13 ILE 92 2HD1 ILE 92 -8.478 -7.102 -16.400 678 HA PRO 93 HA PRO 93 -5.354 -1.649 -20.743 679 HB2 PRO 93 1HB PRO 93 -3.838 -0.320 -18.925 680 HB3 PRO 93 2HB PRO 93 -5.330 0.344 -19.601 681 HG2 PRO 93 1HG PRO 93 -4.882 -1.016 -16.972 682 HG3 PRO 93 2HG PRO 93 -5.837 0.435 -17.333 683 HD2 PRO 93 1HD PRO 93 -6.964 -2.003 -16.990 684 HD3 PRO 93 2HD PRO 93 -7.637 -0.786 -18.094 685 HA PRO 94 HA PRO 94 -2.117 -4.590 -20.252 686 HB2 PRO 94 1HB PRO 94 -0.052 -3.292 -21.445 687 HB3 PRO 94 2HB PRO 94 -1.407 -3.977 -22.350 688 HG2 PRO 94 1HG PRO 94 -0.932 -1.144 -21.505 689 HG3 PRO 94 2HG PRO 94 -1.524 -1.764 -23.057 690 HD2 PRO 94 1HD PRO 94 -3.176 -0.739 -21.173 691 HD3 PRO 94 2HD PRO 94 -3.672 -2.043 -22.269 692 H ASN 95 H ASN 95 -1.664 -4.777 -18.085 693 HA ASN 95 HA ASN 95 -0.652 -4.425 -16.067 694 HB2 ASN 95 1HB ASN 95 1.713 -3.408 -17.623 695 HB3 ASN 95 2HB ASN 95 1.697 -4.381 -16.155 696 HD21 ASN 95 2HD2 ASN 95 1.353 -4.388 -19.607 697 HD22 ASN 95 1HD2 ASN 95 1.456 -6.100 -19.818 698 H ALA 96 H ALA 96 -2.296 -2.463 -16.207 699 HA ALA 96 HA ALA 96 -0.745 -0.062 -15.497 700 HB1 ALA 96 1HB ALA 96 -1.945 1.294 -16.830 701 HB2 ALA 96 2HB ALA 96 -2.275 -0.190 -17.724 702 HB3 ALA 96 3HB ALA 96 -3.447 0.412 -16.552 703 H THR 97 H THR 97 -1.623 1.250 -13.852 704 HA THR 97 HA THR 97 -2.746 -0.072 -11.687 705 HB THR 97 HB THR 97 -3.189 2.873 -12.046 706 HG1 THR 97 HG1 THR 97 -1.114 3.197 -12.242 707 HG21 THR 97 3HG2 THR 97 -2.615 2.918 -9.667 708 HG22 THR 97 1HG2 THR 97 -2.309 1.182 -9.702 709 HG23 THR 97 2HG2 THR 97 -3.940 1.797 -9.976 710 H LEU 98 H LEU 98 -4.800 -0.168 -10.796 711 HA LEU 98 HA LEU 98 -7.021 0.821 -12.442 712 HB2 LEU 98 1HB LEU 98 -7.008 -1.911 -11.185 713 HB3 LEU 98 2HB LEU 98 -8.198 -1.240 -12.297 714 HG LEU 98 HG LEU 98 -5.345 -1.867 -13.046 715 HD11 LEU 98 1HD1 LEU 98 -5.998 -3.923 -13.859 716 HD12 LEU 98 2HD1 LEU 98 -7.703 -3.480 -13.915 717 HD13 LEU 98 3HD1 LEU 98 -6.930 -3.812 -12.365 718 HD21 LEU 98 3HD2 LEU 98 -6.889 -0.136 -14.298 719 HD22 LEU 98 1HD2 LEU 98 -7.594 -1.604 -14.976 720 HD23 LEU 98 2HD2 LEU 98 -5.875 -1.272 -15.190 721 H THR 99 H THR 99 -8.960 1.226 -11.314 722 HA THR 99 HA THR 99 -8.716 1.217 -8.378 723 HB THR 99 HB THR 99 -10.047 3.398 -9.993 724 HG1 THR 99 HG1 THR 99 -7.938 3.799 -10.313 725 HG21 THR 99 3HG2 THR 99 -9.532 4.461 -7.570 726 HG22 THR 99 1HG2 THR 99 -9.800 2.779 -7.115 727 HG23 THR 99 2HG2 THR 99 -11.053 3.669 -7.981 728 H PHE 100 H PHE 100 -10.067 -0.405 -7.834 729 HA PHE 100 HA PHE 100 -12.741 -0.464 -9.050 730 HB2 PHE 100 1HB PHE 100 -11.256 -2.580 -7.480 731 HB3 PHE 100 2HB PHE 100 -12.886 -2.762 -8.119 732 HD1 PHE 100 HD1 PHE 100 -9.330 -2.527 -8.970 733 HD2 PHE 100 HD2 PHE 100 -13.272 -3.141 -10.455 734 HE1 PHE 100 HE1 PHE 100 -8.399 -3.337 -11.099 735 HE2 PHE 100 HE2 PHE 100 -12.347 -3.953 -12.585 736 HZ PHE 100 HZ PHE 100 -9.908 -4.053 -12.909 737 H ASP 101 H ASP 101 -14.336 0.416 -7.932 738 HA ASP 101 HA ASP 101 -14.039 1.159 -5.185 739 HB2 ASP 101 1HB ASP 101 -15.351 2.679 -6.342 740 HB3 ASP 101 2HB ASP 101 -16.197 1.422 -7.241 741 H VAL 102 H VAL 102 -14.332 -0.129 -3.503 742 HA VAL 102 HA VAL 102 -16.109 -2.459 -3.796 743 HB VAL 102 HB VAL 102 -14.828 -3.229 -1.673 744 HG11 VAL 102 1HG1 VAL 102 -14.609 -4.463 -3.672 745 HG12 VAL 102 2HG1 VAL 102 -13.682 -3.180 -4.453 746 HG13 VAL 102 3HG1 VAL 102 -12.963 -4.117 -3.143 747 HG21 VAL 102 3HG2 VAL 102 -13.720 -0.874 -1.594 748 HG22 VAL 102 1HG2 VAL 102 -12.765 -2.303 -1.199 749 HG23 VAL 102 2HG2 VAL 102 -12.616 -1.555 -2.789 750 H GLU 103 H GLU 103 -17.778 -2.765 -2.412 751 HA GLU 103 HA GLU 103 -18.061 -0.900 -0.157 752 HB2 GLU 103 1HB GLU 103 -19.464 -0.001 -1.882 753 HB3 GLU 103 2HB GLU 103 -20.142 -1.585 -2.233 754 HG2 GLU 103 1HG GLU 103 -21.273 -1.625 -0.110 755 HG3 GLU 103 2HG GLU 103 -20.505 -0.111 0.364 756 H LEU 104 H LEU 104 -18.019 -2.116 1.612 757 HA LEU 104 HA LEU 104 -18.601 -4.873 1.686 758 HB2 LEU 104 1HB LEU 104 -17.273 -3.253 3.314 759 HB3 LEU 104 2HB LEU 104 -18.820 -3.241 4.159 760 HG LEU 104 HG LEU 104 -17.591 -4.899 5.239 761 HD11 LEU 104 1HD1 LEU 104 -19.880 -5.588 4.387 762 HD12 LEU 104 2HD1 LEU 104 -18.788 -6.887 4.866 763 HD13 LEU 104 3HD1 LEU 104 -19.026 -6.521 3.157 764 HD21 LEU 104 3HD2 LEU 104 -15.773 -5.770 4.316 765 HD22 LEU 104 1HD2 LEU 104 -16.228 -5.090 2.754 766 HD23 LEU 104 2HD2 LEU 104 -16.779 -6.703 3.207 767 H LEU 105 H LEU 105 -20.453 -5.950 1.911 768 HA LEU 105 HA LEU 105 -22.865 -4.418 2.627 769 HB2 LEU 105 1HB LEU 105 -22.397 -6.626 0.669 770 HB3 LEU 105 2HB LEU 105 -23.995 -6.409 1.379 771 HG LEU 105 HG LEU 105 -23.312 -3.878 0.469 772 HD11 LEU 105 1HD1 LEU 105 -22.441 -4.040 -1.681 773 HD12 LEU 105 2HD1 LEU 105 -22.731 -5.777 -1.774 774 HD13 LEU 105 3HD1 LEU 105 -21.439 -5.152 -0.748 775 HD21 LEU 105 3HD2 LEU 105 -25.491 -5.180 0.404 776 HD22 LEU 105 1HD2 LEU 105 -24.900 -5.893 -1.097 777 HD23 LEU 105 2HD2 LEU 105 -25.143 -4.149 -0.985 778 H ARG 106 H ARG 106 -21.453 -7.685 2.757 779 HA ARG 106 HA ARG 106 -22.569 -8.001 5.440 780 HB2 ARG 106 1HB ARG 106 -22.891 -10.114 3.304 781 HB3 ARG 106 2HB ARG 106 -23.479 -10.190 4.960 782 HG2 ARG 106 1HG ARG 106 -25.411 -9.538 4.025 783 HG3 ARG 106 2HG ARG 106 -24.688 -7.931 4.127 784 HD2 ARG 106 1HD ARG 106 -25.223 -7.887 1.929 785 HD3 ARG 106 2HD ARG 106 -23.672 -8.713 1.780 786 HE ARG 106 HE ARG 106 -24.783 -10.599 1.116 787 HH11 ARG 106 1HH1 ARG 106 -27.046 -8.412 2.606 788 HH12 ARG 106 2HH1 ARG 106 -28.436 -9.352 2.179 789 HH21 ARG 106 1HH2 ARG 106 -26.607 -11.846 0.548 790 HH22 ARG 106 2HH2 ARG 106 -28.186 -11.306 1.009 791 H VAL 107 H VAL 107 -21.684 -10.019 6.502 792 HA VAL 107 HA VAL 107 -19.056 -10.800 5.474 793 HB VAL 107 HB VAL 107 -19.513 -9.726 8.261 794 HG11 VAL 107 1HG1 VAL 107 -17.965 -11.401 8.613 795 HG12 VAL 107 2HG1 VAL 107 -17.244 -11.217 7.013 796 HG13 VAL 107 3HG1 VAL 107 -16.925 -10.020 8.269 797 HG21 VAL 107 3HG2 VAL 107 -17.716 -8.675 6.080 798 HG22 VAL 107 1HG2 VAL 107 -19.318 -8.032 6.443 799 HG23 VAL 107 2HG2 VAL 107 -18.036 -7.938 7.650 800 H GLU 108 H GLU 108 -18.436 -12.855 5.998 801 HA GLU 108 HA GLU 108 -20.038 -14.354 7.933 802 HB2 GLU 108 1HB GLU 108 -19.588 -15.205 5.068 803 HB3 GLU 108 2HB GLU 108 -20.249 -16.243 6.323 804 HG2 GLU 108 1HG GLU 108 -21.544 -13.626 5.699 805 HG3 GLU 108 2HG GLU 108 -21.845 -15.037 4.688 Start of MODEL 18 1 H1 MET 1 H MET 1 2.122 -2.040 0.579 2 HA MET 1 HA MET 1 1.131 0.481 -0.475 3 HB2 MET 1 1HB MET 1 3.080 0.759 -1.975 4 HB3 MET 1 2HB MET 1 3.499 0.944 -0.277 5 HG2 MET 1 1HG MET 1 5.211 -0.387 -0.885 6 HG3 MET 1 2HG MET 1 4.030 -1.648 -0.541 7 HE1 MET 1 3HE MET 1 6.041 -3.119 -3.233 8 HE2 MET 1 1HE MET 1 6.725 -1.507 -3.452 9 HE3 MET 1 2HE MET 1 6.431 -2.126 -1.827 10 H GLY 2 H GLY 2 0.967 0.378 -2.917 11 HA2 GLY 2 1HA GLY 2 0.807 -0.966 -4.898 12 HA3 GLY 2 2HA GLY 2 0.643 -2.386 -3.875 13 H VAL 3 H VAL 3 -1.270 -0.631 -2.196 14 HA VAL 3 HA VAL 3 -3.562 -0.417 -3.963 15 HB VAL 3 HB VAL 3 -3.678 -2.766 -3.391 16 HG11 VAL 3 1HG1 VAL 3 -4.201 -2.647 -0.587 17 HG12 VAL 3 2HG1 VAL 3 -2.958 -3.558 -1.446 18 HG13 VAL 3 3HG1 VAL 3 -2.634 -1.908 -0.914 19 HG21 VAL 3 3HG2 VAL 3 -5.736 -1.672 -1.559 20 HG22 VAL 3 1HG2 VAL 3 -5.717 -1.059 -3.213 21 HG23 VAL 3 2HG2 VAL 3 -5.902 -2.788 -2.915 22 H GLN 4 H GLN 4 -4.661 1.337 -3.403 23 HA GLN 4 HA GLN 4 -4.526 2.242 -0.602 24 HB2 GLN 4 1HB GLN 4 -3.597 3.588 -2.813 25 HB3 GLN 4 2HB GLN 4 -5.198 4.281 -2.596 26 HG2 GLN 4 1HG GLN 4 -3.430 5.546 -1.446 27 HG3 GLN 4 2HG GLN 4 -4.671 4.939 -0.350 28 HE21 GLN 4 2HE2 GLN 4 -1.826 3.412 -1.811 29 HE22 GLN 4 1HE2 GLN 4 -1.099 2.937 -0.318 30 H VAL 5 H VAL 5 -6.390 3.092 0.340 31 HA VAL 5 HA VAL 5 -8.885 2.561 -1.140 32 HB VAL 5 HB VAL 5 -8.655 0.935 0.628 33 HG11 VAL 5 1HG1 VAL 5 -7.438 3.066 2.025 34 HG12 VAL 5 2HG1 VAL 5 -8.846 2.563 2.962 35 HG13 VAL 5 3HG1 VAL 5 -7.606 1.385 2.530 36 HG21 VAL 5 3HG2 VAL 5 -10.592 2.738 1.932 37 HG22 VAL 5 1HG2 VAL 5 -10.844 2.443 0.212 38 HG23 VAL 5 2HG2 VAL 5 -10.795 1.089 1.341 39 H VAL 6 H VAL 6 -10.045 4.317 -1.536 40 HA VAL 6 HA VAL 6 -9.625 6.703 0.125 41 HB VAL 6 HB VAL 6 -10.991 6.560 -2.563 42 HG11 VAL 6 1HG1 VAL 6 -9.764 9.068 -1.919 43 HG12 VAL 6 2HG1 VAL 6 -11.457 8.711 -2.266 44 HG13 VAL 6 3HG1 VAL 6 -10.847 8.583 -0.616 45 HG21 VAL 6 3HG2 VAL 6 -8.109 6.967 -1.839 46 HG22 VAL 6 1HG2 VAL 6 -8.808 5.903 -3.058 47 HG23 VAL 6 2HG2 VAL 6 -8.785 7.647 -3.319 48 H THR 7 H THR 7 -11.021 6.624 1.794 49 HA THR 7 HA THR 7 -13.500 5.423 1.915 50 HB THR 7 HB THR 7 -12.921 8.002 3.361 51 HG1 THR 7 HG1 THR 7 -11.891 5.394 3.859 52 HG21 THR 7 3HG2 THR 7 -14.733 7.468 4.539 53 HG22 THR 7 1HG2 THR 7 -14.033 5.903 4.953 54 HG23 THR 7 2HG2 THR 7 -14.990 6.080 3.482 55 H LEU 8 H LEU 8 -15.407 5.808 1.003 56 HA LEU 8 HA LEU 8 -15.877 8.461 -0.187 57 HB2 LEU 8 1HB LEU 8 -16.920 5.751 -0.993 58 HB3 LEU 8 2HB LEU 8 -17.470 7.272 -1.694 59 HG LEU 8 HG LEU 8 -14.563 6.613 -1.791 60 HD11 LEU 8 1HD1 LEU 8 -14.727 5.154 -3.569 61 HD12 LEU 8 2HD1 LEU 8 -16.382 5.631 -3.947 62 HD13 LEU 8 3HD1 LEU 8 -16.055 4.621 -2.538 63 HD21 LEU 8 3HD2 LEU 8 -16.271 7.838 -3.925 64 HD22 LEU 8 1HD2 LEU 8 -14.543 8.033 -3.630 65 HD23 LEU 8 2HD2 LEU 8 -15.713 8.792 -2.550 66 H ALA 9 H ALA 9 -17.500 5.730 1.406 67 HA ALA 9 HA ALA 9 -19.313 7.637 2.689 68 HB1 ALA 9 1HB ALA 9 -20.348 5.115 1.412 69 HB2 ALA 9 2HB ALA 9 -21.281 6.422 2.143 70 HB3 ALA 9 3HB ALA 9 -20.409 6.697 0.634 71 H ALA 10 H ALA 10 -18.727 7.347 4.756 72 HA ALA 10 HA ALA 10 -17.642 5.104 5.938 73 HB1 ALA 10 1HB ALA 10 -18.138 7.572 6.809 74 HB2 ALA 10 2HB ALA 10 -19.461 6.729 7.616 75 HB3 ALA 10 3HB ALA 10 -17.793 6.230 7.901 76 H GLY 11 H GLY 11 -18.535 3.537 7.417 77 HA2 GLY 11 1HA GLY 11 -21.403 2.989 7.032 78 HA3 GLY 11 2HA GLY 11 -20.224 1.727 6.708 79 H ASP 12 H ASP 12 -20.302 0.271 8.278 80 HA ASP 12 HA ASP 12 -21.175 0.897 10.926 81 HB2 ASP 12 1HB ASP 12 -19.972 -1.604 9.730 82 HB3 ASP 12 2HB ASP 12 -20.541 -1.494 11.393 83 H GLU 13 H GLU 13 -18.098 0.651 9.335 84 HA GLU 13 HA GLU 13 -15.937 0.693 10.122 85 HB2 GLU 13 1HB GLU 13 -15.460 2.702 11.410 86 HB3 GLU 13 2HB GLU 13 -16.639 3.050 10.154 87 HG2 GLU 13 1HG GLU 13 -18.392 3.232 11.681 88 HG3 GLU 13 2HG GLU 13 -17.491 2.406 12.951 89 H ALA 14 H ALA 14 -17.346 -1.351 11.384 90 HA ALA 14 HA ALA 14 -15.854 -1.529 13.872 91 HB1 ALA 14 1HB ALA 14 -18.472 -2.527 14.434 92 HB2 ALA 14 2HB ALA 14 -17.557 -1.272 15.269 93 HB3 ALA 14 3HB ALA 14 -18.587 -0.849 13.901 94 H THR 15 H THR 15 -18.099 -3.076 11.615 95 HA THR 15 HA THR 15 -17.109 -5.716 12.378 96 HB THR 15 HB THR 15 -19.187 -5.140 10.271 97 HG1 THR 15 HG1 THR 15 -20.173 -4.277 11.992 98 HG21 THR 15 3HG2 THR 15 -19.783 -7.370 10.462 99 HG22 THR 15 1HG2 THR 15 -19.084 -7.527 12.073 100 HG23 THR 15 2HG2 THR 15 -18.033 -7.445 10.660 101 H TYR 16 H TYR 16 -15.280 -6.346 11.436 102 HA TYR 16 HA TYR 16 -14.900 -5.736 8.578 103 HB2 TYR 16 1HB TYR 16 -12.812 -6.077 10.740 104 HB3 TYR 16 2HB TYR 16 -12.456 -5.889 9.026 105 HD1 TYR 16 HD1 TYR 16 -13.979 -4.186 11.949 106 HD2 TYR 16 HD2 TYR 16 -12.348 -3.750 8.044 107 HE1 TYR 16 HE1 TYR 16 -13.993 -1.742 12.223 108 HE2 TYR 16 HE2 TYR 16 -12.356 -1.305 8.307 109 HH TYR 16 HH TYR 16 -12.315 0.342 10.211 110 HA PRO 17 HA PRO 17 -14.728 -10.034 7.706 111 HB2 PRO 17 1HB PRO 17 -12.935 -10.087 5.668 112 HB3 PRO 17 2HB PRO 17 -14.577 -9.456 5.488 113 HG2 PRO 17 1HG PRO 17 -12.012 -7.971 5.915 114 HG3 PRO 17 2HG PRO 17 -13.351 -7.598 4.814 115 HD2 PRO 17 1HD PRO 17 -13.026 -6.342 7.190 116 HD3 PRO 17 2HD PRO 17 -14.625 -6.648 6.483 117 H LYS 18 H LYS 18 -13.766 -11.658 8.741 118 HA LYS 18 HA LYS 18 -11.193 -11.315 9.968 119 HB2 LYS 18 1HB LYS 18 -13.352 -12.704 10.708 120 HB3 LYS 18 2HB LYS 18 -12.493 -13.990 9.871 121 HG2 LYS 18 1HG LYS 18 -10.482 -13.250 11.333 122 HG3 LYS 18 2HG LYS 18 -11.722 -12.494 12.336 123 HD2 LYS 18 1HD LYS 18 -12.753 -14.556 12.801 124 HD3 LYS 18 2HD LYS 18 -11.902 -15.371 11.486 125 HE2 LYS 18 1HE LYS 18 -10.310 -14.144 13.685 126 HE3 LYS 18 2HE LYS 18 -11.150 -15.662 13.995 127 HZ1 LYS 18 3HZ LYS 18 -8.959 -16.153 13.247 128 HZ2 LYS 18 1HZ LYS 18 -9.115 -15.143 11.899 129 HZ3 LYS 18 2HZ LYS 18 -10.022 -16.567 11.998 130 H ALA 19 H ALA 19 -9.278 -12.328 9.486 131 HA ALA 19 HA ALA 19 -8.681 -12.881 6.821 132 HB1 ALA 19 1HB ALA 19 -7.234 -13.574 9.364 133 HB2 ALA 19 2HB ALA 19 -6.572 -13.908 7.764 134 HB3 ALA 19 3HB ALA 19 -6.909 -12.247 8.249 135 H GLY 20 H GLY 20 -9.402 -14.510 5.619 136 HA2 GLY 20 1HA GLY 20 -9.338 -16.816 5.028 137 HA3 GLY 20 2HA GLY 20 -9.301 -17.223 6.737 138 H GLN 21 H GLN 21 -11.550 -14.901 6.591 139 HA GLN 21 HA GLN 21 -13.714 -16.862 6.459 140 HB2 GLN 21 1HB GLN 21 -13.187 -14.511 8.036 141 HB3 GLN 21 2HB GLN 21 -14.737 -14.351 7.222 142 HG2 GLN 21 1HG GLN 21 -15.558 -16.345 8.218 143 HG3 GLN 21 2HG GLN 21 -13.963 -16.761 8.841 144 HE21 GLN 21 2HE2 GLN 21 -15.796 -13.730 8.877 145 HE22 GLN 21 1HE2 GLN 21 -15.787 -13.543 10.594 146 H VAL 22 H VAL 22 -15.806 -16.109 5.503 147 HA VAL 22 HA VAL 22 -15.300 -15.089 2.841 148 HB VAL 22 HB VAL 22 -17.917 -15.987 4.052 149 HG11 VAL 22 1HG1 VAL 22 -18.148 -16.461 1.420 150 HG12 VAL 22 2HG1 VAL 22 -18.651 -14.950 2.180 151 HG13 VAL 22 3HG1 VAL 22 -17.084 -15.056 1.376 152 HG21 VAL 22 3HG2 VAL 22 -16.290 -17.789 4.133 153 HG22 VAL 22 1HG2 VAL 22 -17.501 -18.116 2.893 154 HG23 VAL 22 2HG2 VAL 22 -15.899 -17.540 2.431 155 H ALA 23 H ALA 23 -16.066 -13.205 1.974 156 HA ALA 23 HA ALA 23 -17.654 -11.430 3.682 157 HB1 ALA 23 1HB ALA 23 -16.185 -9.534 3.194 158 HB2 ALA 23 2HB ALA 23 -15.331 -10.807 4.068 159 HB3 ALA 23 3HB ALA 23 -15.084 -10.610 2.333 160 H VAL 24 H VAL 24 -19.141 -10.249 2.604 161 HA VAL 24 HA VAL 24 -19.170 -10.501 -0.330 162 HB VAL 24 HB VAL 24 -21.529 -9.898 1.453 163 HG11 VAL 24 1HG1 VAL 24 -22.547 -10.983 -0.786 164 HG12 VAL 24 2HG1 VAL 24 -22.304 -9.248 -0.568 165 HG13 VAL 24 3HG1 VAL 24 -21.113 -10.203 -1.452 166 HG21 VAL 24 3HG2 VAL 24 -21.941 -12.420 0.487 167 HG22 VAL 24 1HG2 VAL 24 -20.209 -12.431 0.819 168 HG23 VAL 24 2HG2 VAL 24 -21.350 -12.038 2.104 169 H VAL 25 H VAL 25 -18.823 -8.726 -1.479 170 HA VAL 25 HA VAL 25 -19.716 -6.136 -0.469 171 HB VAL 25 HB VAL 25 -17.659 -5.032 -0.684 172 HG11 VAL 25 1HG1 VAL 25 -17.913 -6.633 1.285 173 HG12 VAL 25 2HG1 VAL 25 -16.765 -7.671 0.438 174 HG13 VAL 25 3HG1 VAL 25 -16.289 -6.045 0.929 175 HG21 VAL 25 3HG2 VAL 25 -16.683 -7.500 -2.106 176 HG22 VAL 25 1HG2 VAL 25 -16.867 -5.873 -2.760 177 HG23 VAL 25 2HG2 VAL 25 -15.614 -6.206 -1.566 178 H HIS 26 H HIS 26 -19.511 -4.420 -2.165 179 HA HIS 26 HA HIS 26 -20.074 -5.589 -4.803 180 HB2 HIS 26 1HB HIS 26 -21.198 -3.318 -3.286 181 HB3 HIS 26 2HB HIS 26 -20.964 -3.031 -5.008 182 HD1 HIS 26 HD1 HIS 26 -21.969 -5.262 -6.476 183 HD2 HIS 26 HD2 HIS 26 -23.663 -4.286 -2.810 184 HE1 HIS 26 HE1 HIS 26 -24.250 -6.320 -6.487 185 H TYR 27 H TYR 27 -18.631 -5.311 -6.361 186 HA TYR 27 HA TYR 27 -16.627 -3.180 -6.055 187 HB2 TYR 27 1HB TYR 27 -15.131 -4.510 -7.365 188 HB3 TYR 27 2HB TYR 27 -15.837 -5.569 -6.150 189 HD1 TYR 27 HD2 TYR 27 -15.849 -4.679 -9.728 190 HD2 TYR 27 HD1 TYR 27 -17.215 -7.421 -6.774 191 HE1 TYR 27 HE2 TYR 27 -16.566 -6.225 -11.502 192 HE2 TYR 27 HE1 TYR 27 -17.934 -8.975 -8.540 193 HH TYR 27 HH TYR 27 -17.003 -8.630 -11.781 194 H THR 28 H THR 28 -16.280 -1.706 -7.648 195 HA THR 28 HA THR 28 -17.903 -1.928 -10.093 196 HB THR 28 HB THR 28 -17.565 0.566 -8.417 197 HG1 THR 28 HG1 THR 28 -19.162 -0.852 -7.617 198 HG21 THR 28 3HG2 THR 28 -17.924 1.712 -10.295 199 HG22 THR 28 1HG2 THR 28 -19.511 0.951 -10.399 200 HG23 THR 28 2HG2 THR 28 -18.129 0.224 -11.219 201 H GLY 29 H GLY 29 -16.803 -1.589 -11.922 202 HA2 GLY 29 1HA GLY 29 -14.005 -1.190 -11.901 203 HA3 GLY 29 2HA GLY 29 -15.035 -1.164 -13.324 204 H THR 30 H THR 30 -12.732 0.543 -12.418 205 HA THR 30 HA THR 30 -13.732 3.017 -13.380 206 HB THR 30 HB THR 30 -12.702 3.832 -10.854 207 HG1 THR 30 HG1 THR 30 -15.056 2.343 -10.449 208 HG21 THR 30 3HG2 THR 30 -14.674 5.116 -10.748 209 HG22 THR 30 1HG2 THR 30 -15.576 3.965 -11.733 210 HG23 THR 30 2HG2 THR 30 -14.323 4.965 -12.469 211 H LEU 31 H LEU 31 -12.098 4.375 -14.023 212 HA LEU 31 HA LEU 31 -9.388 3.300 -13.738 213 HB2 LEU 31 1HB LEU 31 -10.709 5.120 -15.714 214 HB3 LEU 31 2HB LEU 31 -8.953 5.074 -15.573 215 HG LEU 31 HG LEU 31 -10.733 2.747 -16.299 216 HD11 LEU 31 1HD1 LEU 31 -10.092 3.025 -18.500 217 HD12 LEU 31 2HD1 LEU 31 -8.690 4.008 -18.079 218 HD13 LEU 31 3HD1 LEU 31 -10.312 4.690 -17.963 219 HD21 LEU 31 3HD2 LEU 31 -7.857 2.982 -15.616 220 HD22 LEU 31 1HD2 LEU 31 -8.294 1.926 -16.959 221 HD23 LEU 31 2HD2 LEU 31 -8.980 1.646 -15.359 222 H ALA 32 H ALA 32 -7.596 4.844 -13.491 223 HA ALA 32 HA ALA 32 -7.887 6.448 -11.223 224 HB1 ALA 32 1HB ALA 32 -5.628 7.447 -12.274 225 HB2 ALA 32 2HB ALA 32 -5.708 5.894 -11.443 226 HB3 ALA 32 3HB ALA 32 -5.757 5.954 -13.205 227 H ASP 33 H ASP 33 -8.511 7.128 -14.534 228 HA ASP 33 HA ASP 33 -8.345 10.003 -14.234 229 HB2 ASP 33 1HB ASP 33 -9.547 8.474 -16.544 230 HB3 ASP 33 2HB ASP 33 -8.933 10.125 -16.547 231 H GLY 34 H GLY 34 -10.634 7.580 -13.622 232 HA2 GLY 34 1HA GLY 34 -12.603 8.236 -12.350 233 HA3 GLY 34 2HA GLY 34 -12.744 9.634 -13.406 234 H LYS 35 H LYS 35 -11.963 7.595 -15.633 235 HA LYS 35 HA LYS 35 -14.457 7.289 -16.773 236 HB2 LYS 35 1HB LYS 35 -12.000 6.854 -17.672 237 HB3 LYS 35 2HB LYS 35 -12.404 5.186 -17.288 238 HG2 LYS 35 1HG LYS 35 -14.105 5.102 -18.867 239 HG3 LYS 35 2HG LYS 35 -14.241 6.860 -18.955 240 HD2 LYS 35 1HD LYS 35 -11.698 5.511 -19.770 241 HD3 LYS 35 2HD LYS 35 -13.070 5.553 -20.880 242 HE2 LYS 35 1HE LYS 35 -13.131 8.045 -20.534 243 HE3 LYS 35 2HE LYS 35 -11.602 7.889 -19.671 244 HZ1 LYS 35 3HZ LYS 35 -11.394 6.537 -22.119 245 HZ2 LYS 35 1HZ LYS 35 -10.545 7.905 -21.599 246 HZ3 LYS 35 2HZ LYS 35 -12.010 8.083 -22.425 247 H VAL 36 H VAL 36 -16.173 6.198 -16.100 248 HA VAL 36 HA VAL 36 -16.019 4.148 -14.121 249 HB VAL 36 HB VAL 36 -17.952 5.744 -14.429 250 HG11 VAL 36 1HG1 VAL 36 -19.667 5.181 -16.045 251 HG12 VAL 36 2HG1 VAL 36 -18.140 5.490 -16.874 252 HG13 VAL 36 3HG1 VAL 36 -18.698 3.833 -16.640 253 HG21 VAL 36 3HG2 VAL 36 -19.104 4.341 -13.138 254 HG22 VAL 36 1HG2 VAL 36 -19.337 3.205 -14.467 255 HG23 VAL 36 2HG2 VAL 36 -17.871 3.130 -13.489 256 H PHE 37 H PHE 37 -16.410 1.953 -14.308 257 HA PHE 37 HA PHE 37 -16.508 0.861 -17.038 258 HB2 PHE 37 1HB PHE 37 -14.531 0.338 -14.880 259 HB3 PHE 37 2HB PHE 37 -15.061 -1.045 -15.832 260 HD1 PHE 37 HD1 PHE 37 -13.792 2.431 -16.262 261 HD2 PHE 37 HD2 PHE 37 -13.962 -1.537 -17.794 262 HE1 PHE 37 HE1 PHE 37 -12.203 3.051 -18.036 263 HE2 PHE 37 HE2 PHE 37 -12.373 -0.924 -19.569 264 HZ PHE 37 HZ PHE 37 -11.491 1.373 -19.692 265 H ASP 38 H ASP 38 -16.724 -1.743 -16.649 266 HA ASP 38 HA ASP 38 -19.360 -2.148 -15.852 267 HB2 ASP 38 1HB ASP 38 -17.696 -3.625 -17.272 268 HB3 ASP 38 2HB ASP 38 -17.414 -4.414 -15.723 269 H SER 39 H SER 39 -20.339 -2.659 -13.978 270 HA SER 39 HA SER 39 -18.625 -3.129 -11.627 271 HB2 SER 39 1HB SER 39 -19.898 -1.681 -10.309 272 HB3 SER 39 2HB SER 39 -19.831 -0.829 -11.852 273 HG SER 39 HG SER 39 -21.941 -0.808 -11.350 274 H SER 40 H SER 40 -19.634 -4.331 -9.882 275 HA SER 40 HA SER 40 -21.145 -6.558 -10.893 276 HB2 SER 40 1HB SER 40 -20.274 -7.654 -9.132 277 HB3 SER 40 2HB SER 40 -19.340 -6.193 -8.813 278 HG SER 40 HG SER 40 -20.387 -6.326 -6.972 279 H ARG 41 H ARG 41 -21.806 -3.669 -9.077 280 HA ARG 41 HA ARG 41 -24.244 -4.410 -7.894 281 HB2 ARG 41 1HB ARG 41 -23.424 -1.662 -8.851 282 HB3 ARG 41 2HB ARG 41 -24.662 -2.025 -7.657 283 HG2 ARG 41 1HG ARG 41 -23.136 -2.530 -6.022 284 HG3 ARG 41 2HG ARG 41 -21.880 -2.970 -7.181 285 HD2 ARG 41 1HD ARG 41 -21.395 -0.855 -6.012 286 HD3 ARG 41 2HD ARG 41 -21.545 -0.647 -7.757 287 HE ARG 41 HE ARG 41 -23.301 0.754 -7.377 288 HH11 ARG 41 1HH1 ARG 41 -22.861 -1.256 -4.568 289 HH12 ARG 41 2HH1 ARG 41 -24.069 -0.439 -3.633 290 HH21 ARG 41 1HH2 ARG 41 -24.894 1.837 -6.156 291 HH22 ARG 41 2HH2 ARG 41 -25.226 1.320 -4.538 292 H THR 42 H THR 42 -23.419 -3.542 -11.143 293 HA THR 42 HA THR 42 -25.884 -2.674 -12.118 294 HB THR 42 HB THR 42 -23.820 -4.305 -13.611 295 HG1 THR 42 HG1 THR 42 -22.802 -2.484 -12.876 296 HG21 THR 42 3HG2 THR 42 -24.944 -2.538 -15.377 297 HG22 THR 42 1HG2 THR 42 -26.326 -3.006 -14.388 298 HG23 THR 42 2HG2 THR 42 -25.383 -4.239 -15.225 299 H ARG 43 H ARG 43 -24.847 -5.814 -11.152 300 HA ARG 43 HA ARG 43 -27.187 -7.050 -12.431 301 HB2 ARG 43 1HB ARG 43 -24.562 -8.125 -11.463 302 HB3 ARG 43 2HB ARG 43 -25.950 -9.197 -11.590 303 HG2 ARG 43 1HG ARG 43 -26.099 -8.900 -13.919 304 HG3 ARG 43 2HG ARG 43 -25.016 -7.507 -13.887 305 HD2 ARG 43 1HD ARG 43 -23.198 -9.025 -13.116 306 HD3 ARG 43 2HD ARG 43 -24.298 -10.384 -13.344 307 HE ARG 43 HE ARG 43 -22.853 -8.987 -15.371 308 HH11 ARG 43 1HH1 ARG 43 -25.784 -10.747 -14.716 309 HH12 ARG 43 2HH1 ARG 43 -26.005 -11.247 -16.360 310 HH21 ARG 43 1HH2 ARG 43 -23.133 -9.638 -17.538 311 HH22 ARG 43 2HH2 ARG 43 -24.496 -10.617 -17.965 312 H GLY 44 H GLY 44 -26.726 -5.468 -9.749 313 HA2 GLY 44 1HA GLY 44 -27.571 -5.525 -7.613 314 HA3 GLY 44 2HA GLY 44 -28.850 -6.503 -8.318 315 H LYS 45 H LYS 45 -25.530 -7.562 -8.332 316 HA LYS 45 HA LYS 45 -26.064 -9.376 -6.088 317 HB2 LYS 45 1HB LYS 45 -25.450 -10.105 -8.906 318 HB3 LYS 45 2HB LYS 45 -24.680 -11.055 -7.642 319 HG2 LYS 45 1HG LYS 45 -26.893 -11.540 -6.685 320 HG3 LYS 45 2HG LYS 45 -27.640 -10.638 -8.006 321 HD2 LYS 45 1HD LYS 45 -27.726 -12.973 -8.545 322 HD3 LYS 45 2HD LYS 45 -26.544 -12.203 -9.606 323 HE2 LYS 45 1HE LYS 45 -24.728 -13.094 -8.390 324 HE3 LYS 45 2HE LYS 45 -25.760 -13.556 -7.038 325 HZ1 LYS 45 3HZ LYS 45 -25.522 -15.553 -8.072 326 HZ2 LYS 45 1HZ LYS 45 -25.371 -14.883 -9.618 327 HZ3 LYS 45 2HZ LYS 45 -26.894 -14.999 -8.892 328 HA PRO 46 HA PRO 46 -22.037 -7.609 -5.163 329 HB2 PRO 46 1HB PRO 46 -21.964 -8.531 -2.610 330 HB3 PRO 46 2HB PRO 46 -22.879 -7.096 -3.087 331 HG2 PRO 46 1HG PRO 46 -23.842 -9.895 -2.642 332 HG3 PRO 46 2HG PRO 46 -24.581 -8.364 -2.136 333 HD2 PRO 46 1HD PRO 46 -25.429 -9.745 -4.306 334 HD3 PRO 46 2HD PRO 46 -25.493 -7.973 -4.217 335 H PHE 47 H PHE 47 -19.966 -8.448 -4.912 336 HA PHE 47 HA PHE 47 -19.707 -11.269 -5.556 337 HB2 PHE 47 1HB PHE 47 -18.397 -9.203 -6.567 338 HB3 PHE 47 2HB PHE 47 -17.339 -9.486 -5.188 339 HD1 PHE 47 HD1 PHE 47 -18.752 -11.023 -8.233 340 HD2 PHE 47 HD2 PHE 47 -15.806 -11.274 -5.171 341 HE1 PHE 47 HE1 PHE 47 -17.608 -12.806 -9.484 342 HE2 PHE 47 HE2 PHE 47 -14.657 -13.056 -6.418 343 HZ PHE 47 HZ PHE 47 -15.557 -13.824 -8.578 344 H ARG 48 H ARG 48 -19.278 -12.793 -4.110 345 HA ARG 48 HA ARG 48 -18.224 -11.972 -1.484 346 HB2 ARG 48 1HB ARG 48 -19.315 -14.017 -0.599 347 HB3 ARG 48 2HB ARG 48 -20.457 -12.873 -1.291 348 HG2 ARG 48 1HG ARG 48 -21.094 -14.289 -2.912 349 HG3 ARG 48 2HG ARG 48 -19.463 -14.918 -3.149 350 HD2 ARG 48 1HD ARG 48 -19.831 -16.049 -0.848 351 HD3 ARG 48 2HD ARG 48 -21.540 -15.744 -1.157 352 HE ARG 48 HE ARG 48 -20.625 -16.963 -3.428 353 HH11 ARG 48 1HH1 ARG 48 -20.682 -17.755 -0.039 354 HH12 ARG 48 2HH1 ARG 48 -20.773 -19.464 -0.306 355 HH21 ARG 48 1HH2 ARG 48 -20.745 -19.211 -3.793 356 HH22 ARG 48 2HH2 ARG 48 -20.808 -20.292 -2.442 357 H PHE 49 H PHE 49 -16.472 -12.999 -0.638 358 HA PHE 49 HA PHE 49 -15.446 -15.448 -1.708 359 HB2 PHE 49 1HB PHE 49 -13.348 -14.583 -2.587 360 HB3 PHE 49 2HB PHE 49 -14.700 -13.852 -3.445 361 HD1 PHE 49 HD2 PHE 49 -12.033 -13.274 -0.989 362 HD2 PHE 49 HD1 PHE 49 -15.142 -11.510 -3.301 363 HE1 PHE 49 HE2 PHE 49 -11.148 -11.039 -0.467 364 HE2 PHE 49 HE1 PHE 49 -14.262 -9.272 -2.783 365 HZ PHE 49 HZ PHE 49 -12.263 -9.034 -1.364 366 H THR 50 H THR 50 -13.312 -16.012 -0.677 367 HA THR 50 HA THR 50 -13.452 -15.326 2.134 368 HB THR 50 HB THR 50 -11.635 -17.256 0.677 369 HG1 THR 50 HG1 THR 50 -13.832 -17.894 0.692 370 HG21 THR 50 3HG2 THR 50 -11.385 -18.173 3.062 371 HG22 THR 50 1HG2 THR 50 -11.977 -16.598 3.590 372 HG23 THR 50 2HG2 THR 50 -10.488 -16.712 2.650 373 H VAL 51 H VAL 51 -12.482 -13.524 2.800 374 HA VAL 51 HA VAL 51 -10.429 -12.178 1.427 375 HB VAL 51 HB VAL 51 -11.019 -11.925 4.375 376 HG11 VAL 51 1HG1 VAL 51 -10.401 -9.504 3.812 377 HG12 VAL 51 2HG1 VAL 51 -9.095 -10.688 3.886 378 HG13 VAL 51 3HG1 VAL 51 -9.721 -10.162 2.324 379 HG21 VAL 51 3HG2 VAL 51 -12.530 -10.951 1.988 380 HG22 VAL 51 1HG2 VAL 51 -13.135 -11.640 3.495 381 HG23 VAL 51 2HG2 VAL 51 -12.509 -9.991 3.467 382 H GLY 52 H GLY 52 -8.516 -13.132 1.054 383 HA2 GLY 52 1HA GLY 52 -6.303 -13.349 2.147 384 HA3 GLY 52 2HA GLY 52 -7.115 -14.304 3.378 385 H ARG 53 H ARG 53 -8.744 -15.430 0.981 386 HA ARG 53 HA ARG 53 -7.146 -17.779 0.680 387 HB2 ARG 53 1HB ARG 53 -9.847 -16.891 -0.142 388 HB3 ARG 53 2HB ARG 53 -9.100 -18.119 -1.155 389 HG2 ARG 53 1HG ARG 53 -9.356 -18.376 1.829 390 HG3 ARG 53 2HG ARG 53 -10.563 -18.975 0.691 391 HD2 ARG 53 1HD ARG 53 -8.627 -20.232 -0.414 392 HD3 ARG 53 2HD ARG 53 -7.720 -19.868 1.054 393 HE ARG 53 HE ARG 53 -10.162 -21.012 1.790 394 HH11 ARG 53 1HH1 ARG 53 -7.207 -21.886 0.172 395 HH12 ARG 53 2HH1 ARG 53 -7.292 -23.553 0.635 396 HH21 ARG 53 1HH2 ARG 53 -10.286 -23.205 2.407 397 HH22 ARG 53 2HH2 ARG 53 -9.045 -24.302 1.906 398 H GLY 54 H GLY 54 -7.049 -18.728 -1.687 399 HA2 GLY 54 1HA GLY 54 -5.522 -16.758 -3.234 400 HA3 GLY 54 2HA GLY 54 -5.408 -18.504 -3.392 401 H GLU 55 H GLU 55 -8.519 -16.970 -3.238 402 HA GLU 55 HA GLU 55 -9.009 -17.796 -6.003 403 HB2 GLU 55 1HB GLU 55 -11.028 -16.870 -3.958 404 HB3 GLU 55 2HB GLU 55 -11.353 -17.695 -5.476 405 HG2 GLU 55 1HG GLU 55 -9.890 -19.584 -4.450 406 HG3 GLU 55 2HG GLU 55 -10.269 -18.787 -2.923 407 H VAL 56 H VAL 56 -8.617 -14.990 -4.055 408 HA VAL 56 HA VAL 56 -9.592 -13.285 -6.252 409 HB VAL 56 HB VAL 56 -9.623 -11.458 -4.508 410 HG11 VAL 56 1HG1 VAL 56 -11.574 -13.001 -5.307 411 HG12 VAL 56 2HG1 VAL 56 -11.484 -13.632 -3.662 412 HG13 VAL 56 3HG1 VAL 56 -11.804 -11.919 -3.934 413 HG21 VAL 56 3HG2 VAL 56 -8.941 -11.820 -2.418 414 HG22 VAL 56 1HG2 VAL 56 -9.930 -13.274 -2.281 415 HG23 VAL 56 2HG2 VAL 56 -8.311 -13.372 -2.971 416 H ILE 57 H ILE 57 -8.403 -10.981 -5.946 417 HA ILE 57 HA ILE 57 -5.573 -11.590 -6.355 418 HB ILE 57 HB ILE 57 -5.466 -9.262 -7.280 419 HG12 ILE 57 1HG1 ILE 57 -8.441 -9.258 -7.476 420 HG13 ILE 57 2HG1 ILE 57 -7.716 -8.747 -5.956 421 HG21 ILE 57 1HG2 ILE 57 -7.324 -11.295 -8.484 422 HG22 ILE 57 2HG2 ILE 57 -6.822 -9.839 -9.341 423 HG23 ILE 57 3HG2 ILE 57 -5.617 -11.025 -8.839 424 HD11 ILE 57 3HD1 ILE 57 -6.318 -7.147 -7.342 425 HD12 ILE 57 1HD1 ILE 57 -7.417 -7.514 -8.671 426 HD13 ILE 57 2HD1 ILE 57 -8.037 -6.786 -7.188 427 H ARG 58 H ARG 58 -3.941 -10.100 -5.520 428 HA ARG 58 HA ARG 58 -3.993 -9.811 -2.781 429 HB2 ARG 58 1HB ARG 58 -2.421 -8.091 -4.707 430 HB3 ARG 58 2HB ARG 58 -2.042 -8.376 -3.014 431 HG2 ARG 58 1HG ARG 58 -2.091 -10.909 -3.894 432 HG3 ARG 58 2HG ARG 58 -1.594 -10.083 -5.372 433 HD2 ARG 58 1HD ARG 58 0.388 -10.684 -4.206 434 HD3 ARG 58 2HD ARG 58 0.185 -8.942 -4.024 435 HE ARG 58 HE ARG 58 -0.036 -9.246 -1.769 436 HH11 ARG 58 1HH1 ARG 58 -0.516 -12.298 -3.374 437 HH12 ARG 58 2HH1 ARG 58 -0.571 -13.211 -1.902 438 HH21 ARG 58 1HH2 ARG 58 -0.107 -10.437 0.175 439 HH22 ARG 58 2HH2 ARG 58 -0.340 -12.151 0.116 440 H GLY 59 H GLY 59 -4.702 -7.342 -5.240 441 HA2 GLY 59 1HA GLY 59 -5.084 -5.134 -3.647 442 HA3 GLY 59 2HA GLY 59 -5.998 -5.446 -5.115 443 H TRP 60 H TRP 60 -7.751 -7.247 -4.718 444 HA TRP 60 HA TRP 60 -9.720 -6.163 -3.106 445 HB2 TRP 60 1HB TRP 60 -9.331 -8.850 -4.365 446 HB3 TRP 60 2HB TRP 60 -10.667 -8.618 -3.240 447 HD1 TRP 60 HD1 TRP 60 -10.120 -5.470 -5.067 448 HE1 TRP 60 HE1 TRP 60 -11.828 -5.214 -6.976 449 HE3 TRP 60 HE3 TRP 60 -11.938 -10.247 -5.174 450 HZ2 TRP 60 HZ2 TRP 60 -13.699 -6.825 -8.345 451 HZ3 TRP 60 HZ3 TRP 60 -13.686 -10.807 -6.813 452 HH2 TRP 60 HH2 TRP 60 -14.547 -9.130 -8.364 453 H ASP 61 H ASP 61 -7.458 -8.792 -2.383 454 HA ASP 61 HA ASP 61 -8.430 -9.660 0.039 455 HB2 ASP 61 1HB ASP 61 -6.304 -10.351 -1.370 456 HB3 ASP 61 2HB ASP 61 -5.479 -9.277 -0.243 457 H GLU 62 H GLU 62 -5.867 -7.200 -0.327 458 HA GLU 62 HA GLU 62 -5.931 -6.383 2.367 459 HB2 GLU 62 1HB GLU 62 -4.800 -5.257 -0.156 460 HB3 GLU 62 2HB GLU 62 -4.876 -4.224 1.264 461 HG2 GLU 62 1HG GLU 62 -3.645 -6.946 1.406 462 HG3 GLU 62 2HG GLU 62 -2.730 -5.559 0.817 463 H GLY 63 H GLY 63 -7.433 -4.999 -0.542 464 HA2 GLY 63 1HA GLY 63 -8.568 -2.728 0.562 465 HA3 GLY 63 2HA GLY 63 -9.259 -3.627 -0.781 466 H VAL 64 H VAL 64 -10.393 -5.733 -0.029 467 HA VAL 64 HA VAL 64 -12.629 -5.048 1.466 468 HB VAL 64 HB VAL 64 -12.422 -7.000 -0.112 469 HG11 VAL 64 1HG1 VAL 64 -10.322 -7.791 1.284 470 HG12 VAL 64 2HG1 VAL 64 -11.553 -8.687 2.176 471 HG13 VAL 64 3HG1 VAL 64 -11.358 -8.943 0.442 472 HG21 VAL 64 3HG2 VAL 64 -14.296 -7.905 0.765 473 HG22 VAL 64 1HG2 VAL 64 -13.562 -8.152 2.349 474 HG23 VAL 64 2HG2 VAL 64 -14.165 -6.558 1.896 475 H ALA 65 H ALA 65 -9.577 -6.437 2.487 476 HA ALA 65 HA ALA 65 -10.327 -7.289 5.056 477 HB1 ALA 65 1HB ALA 65 -7.811 -6.855 5.529 478 HB2 ALA 65 2HB ALA 65 -8.276 -8.103 4.371 479 HB3 ALA 65 3HB ALA 65 -7.725 -6.528 3.798 480 H GLN 66 H GLN 66 -9.290 -4.152 3.832 481 HA GLN 66 HA GLN 66 -9.428 -3.000 6.512 482 HB2 GLN 66 1HB GLN 66 -8.636 -1.737 3.881 483 HB3 GLN 66 2HB GLN 66 -8.530 -0.967 5.459 484 HG2 GLN 66 1HG GLN 66 -6.818 -2.428 6.166 485 HG3 GLN 66 2HG GLN 66 -7.077 -3.508 4.797 486 HE21 GLN 66 2HE2 GLN 66 -6.297 -2.932 2.772 487 HE22 GLN 66 1HE2 GLN 66 -5.121 -1.684 2.559 488 H MET 67 H MET 67 -11.728 -3.893 4.630 489 HA MET 67 HA MET 67 -13.207 -1.362 4.541 490 HB2 MET 67 1HB MET 67 -13.693 -4.035 3.229 491 HB3 MET 67 2HB MET 67 -14.867 -2.726 3.199 492 HG2 MET 67 1HG MET 67 -12.479 -1.568 2.361 493 HG3 MET 67 2HG MET 67 -12.531 -3.142 1.570 494 HE1 MET 67 3HE MET 67 -16.279 -0.850 1.804 495 HE2 MET 67 1HE MET 67 -14.882 -0.634 2.860 496 HE3 MET 67 2HE MET 67 -15.104 0.422 1.465 497 H SER 68 H SER 68 -15.254 -1.155 5.488 498 HA SER 68 HA SER 68 -15.831 -3.152 7.578 499 HB2 SER 68 1HB SER 68 -16.988 -1.165 8.727 500 HB3 SER 68 2HB SER 68 -15.224 -1.165 8.702 501 HG SER 68 HG SER 68 -16.832 0.705 7.801 502 H VAL 69 H VAL 69 -17.930 -3.827 7.891 503 HA VAL 69 HA VAL 69 -19.614 -4.083 5.730 504 HB VAL 69 HB VAL 69 -20.403 -4.073 8.647 505 HG11 VAL 69 1HG1 VAL 69 -21.853 -4.902 6.159 506 HG12 VAL 69 2HG1 VAL 69 -22.214 -5.652 7.715 507 HG13 VAL 69 3HG1 VAL 69 -22.424 -3.913 7.503 508 HG21 VAL 69 3HG2 VAL 69 -19.829 -6.462 6.915 509 HG22 VAL 69 1HG2 VAL 69 -18.582 -5.670 7.877 510 HG23 VAL 69 2HG2 VAL 69 -19.982 -6.392 8.670 511 H GLY 70 H GLY 70 -20.907 -2.742 4.659 512 HA2 GLY 70 1HA GLY 70 -22.513 -1.083 4.347 513 HA3 GLY 70 2HA GLY 70 -22.357 -0.648 6.043 514 H GLN 71 H GLN 71 -19.371 -0.888 4.466 515 HA GLN 71 HA GLN 71 -19.240 2.044 4.259 516 HB2 GLN 71 1HB GLN 71 -17.729 0.676 5.883 517 HB3 GLN 71 2HB GLN 71 -16.822 0.277 4.429 518 HG2 GLN 71 1HG GLN 71 -17.100 2.997 4.236 519 HG3 GLN 71 2HG GLN 71 -16.904 2.744 5.969 520 HE21 GLN 71 2HE2 GLN 71 -15.454 2.245 2.823 521 HE22 GLN 71 1HE2 GLN 71 -13.834 2.044 3.388 522 H ARG 72 H ARG 72 -18.179 3.001 2.493 523 HA ARG 72 HA ARG 72 -17.607 1.231 0.218 524 HB2 ARG 72 1HB ARG 72 -19.847 2.099 -0.135 525 HB3 ARG 72 2HB ARG 72 -19.289 3.742 0.150 526 HG2 ARG 72 1HG ARG 72 -17.999 3.723 -1.865 527 HG3 ARG 72 2HG ARG 72 -18.331 2.007 -2.113 528 HD2 ARG 72 1HD ARG 72 -19.720 3.465 -3.539 529 HD3 ARG 72 2HD ARG 72 -20.677 2.467 -2.445 530 HE ARG 72 HE ARG 72 -20.178 4.970 -1.252 531 HH11 ARG 72 1HH1 ARG 72 -22.033 3.511 -3.812 532 HH12 ARG 72 2HH1 ARG 72 -23.297 4.694 -3.747 533 HH21 ARG 72 1HH2 ARG 72 -21.836 6.534 -1.157 534 HH22 ARG 72 2HH2 ARG 72 -23.183 6.414 -2.237 535 H ALA 73 H ALA 73 -15.868 1.788 -0.990 536 HA ALA 73 HA ALA 73 -14.747 4.437 -0.930 537 HB1 ALA 73 1HB ALA 73 -12.569 3.767 -0.003 538 HB2 ALA 73 2HB ALA 73 -13.875 3.609 1.173 539 HB3 ALA 73 3HB ALA 73 -13.233 2.176 0.369 540 H LYS 74 H LYS 74 -12.674 4.518 -2.221 541 HA LYS 74 HA LYS 74 -12.991 2.796 -4.557 542 HB2 LYS 74 1HB LYS 74 -11.883 5.491 -4.044 543 HB3 LYS 74 2HB LYS 74 -11.056 4.547 -5.276 544 HG2 LYS 74 1HG LYS 74 -13.545 4.162 -6.110 545 HG3 LYS 74 2HG LYS 74 -13.783 5.700 -5.277 546 HD2 LYS 74 1HD LYS 74 -11.592 6.343 -6.624 547 HD3 LYS 74 2HD LYS 74 -12.177 5.072 -7.700 548 HE2 LYS 74 1HE LYS 74 -14.433 6.304 -7.578 549 HE3 LYS 74 2HE LYS 74 -13.499 7.655 -6.937 550 HZ1 LYS 74 3HZ LYS 74 -12.109 6.848 -9.147 551 HZ2 LYS 74 1HZ LYS 74 -13.126 8.197 -9.044 552 HZ3 LYS 74 2HZ LYS 74 -13.727 6.727 -9.627 553 H LEU 75 H LEU 75 -11.689 1.134 -4.941 554 HA LEU 75 HA LEU 75 -9.257 0.849 -3.338 555 HB2 LEU 75 1HB LEU 75 -11.086 -0.942 -3.537 556 HB3 LEU 75 2HB LEU 75 -10.429 -1.240 -5.145 557 HG LEU 75 HG LEU 75 -8.265 -1.822 -4.141 558 HD11 LEU 75 1HD1 LEU 75 -8.341 -0.465 -2.149 559 HD12 LEU 75 2HD1 LEU 75 -8.131 -2.157 -1.701 560 HD13 LEU 75 3HD1 LEU 75 -9.710 -1.390 -1.531 561 HD21 LEU 75 3HD2 LEU 75 -8.869 -3.969 -3.689 562 HD22 LEU 75 1HD2 LEU 75 -10.385 -3.400 -4.388 563 HD23 LEU 75 2HD2 LEU 75 -10.203 -3.492 -2.636 564 H VAL 76 H VAL 76 -7.743 2.080 -4.386 565 HA VAL 76 HA VAL 76 -7.278 1.579 -7.237 566 HB VAL 76 HB VAL 76 -7.387 3.909 -6.731 567 HG11 VAL 76 1HG1 VAL 76 -6.064 3.112 -4.305 568 HG12 VAL 76 2HG1 VAL 76 -5.212 4.459 -5.062 569 HG13 VAL 76 3HG1 VAL 76 -6.926 4.606 -4.672 570 HG21 VAL 76 3HG2 VAL 76 -5.344 4.669 -7.629 571 HG22 VAL 76 1HG2 VAL 76 -4.444 3.328 -6.920 572 HG23 VAL 76 2HG2 VAL 76 -5.553 3.035 -8.259 573 H CYS 77 H CYS 77 -6.072 -0.218 -7.475 574 HA CYS 77 HA CYS 77 -3.512 -0.318 -6.025 575 HB2 CYS 77 1HB CYS 77 -3.665 -2.728 -5.889 576 HB3 CYS 77 2HB CYS 77 -5.110 -2.023 -5.175 577 HG CYS 77 HG CYS 77 -6.039 -2.433 -8.165 578 H SER 78 H SER 78 -1.840 -1.613 -7.151 579 HA SER 78 HA SER 78 -1.774 -0.878 -9.941 580 HB2 SER 78 1HB SER 78 0.479 -2.467 -9.315 581 HB3 SER 78 2HB SER 78 0.408 -0.711 -9.464 582 HG SER 78 HG SER 78 1.184 -1.540 -7.399 583 HA PRO 79 HA PRO 79 -2.734 -4.713 -11.840 584 HB2 PRO 79 1HB PRO 79 -0.821 -4.978 -13.748 585 HB3 PRO 79 2HB PRO 79 -2.125 -3.790 -13.854 586 HG2 PRO 79 1HG PRO 79 0.711 -3.415 -12.975 587 HG3 PRO 79 2HG PRO 79 -0.281 -2.383 -14.021 588 HD2 PRO 79 1HD PRO 79 0.143 -1.826 -11.405 589 HD3 PRO 79 2HD PRO 79 -1.367 -1.405 -12.239 590 H ASP 80 H ASP 80 0.527 -4.342 -10.629 591 HA ASP 80 HA ASP 80 1.419 -6.988 -10.935 592 HB2 ASP 80 1HB ASP 80 2.165 -4.805 -8.993 593 HB3 ASP 80 2HB ASP 80 2.956 -6.379 -8.985 594 H TYR 81 H TYR 81 -0.735 -5.520 -8.652 595 HA TYR 81 HA TYR 81 -0.766 -7.992 -7.056 596 HB2 TYR 81 1HB TYR 81 -1.208 -5.133 -6.404 597 HB3 TYR 81 2HB TYR 81 -2.235 -6.293 -5.568 598 HD1 TYR 81 HD2 TYR 81 1.290 -6.804 -6.604 599 HD2 TYR 81 HD1 TYR 81 -1.395 -6.131 -3.373 600 HE1 TYR 81 HE2 TYR 81 3.106 -7.256 -5.009 601 HE2 TYR 81 HE1 TYR 81 0.415 -6.580 -1.768 602 HH TYR 81 HH TYR 81 2.745 -6.677 -1.602 603 H ALA 82 H ALA 82 -2.180 -7.165 -9.674 604 HA ALA 82 HA ALA 82 -4.725 -8.371 -8.957 605 HB1 ALA 82 1HB ALA 82 -5.050 -5.913 -8.708 606 HB2 ALA 82 2HB ALA 82 -4.682 -5.740 -10.424 607 HB3 ALA 82 3HB ALA 82 -6.097 -6.661 -9.914 608 H TYR 83 H TYR 83 -6.073 -7.998 -11.328 609 HA TYR 83 HA TYR 83 -4.478 -9.653 -13.119 610 HB2 TYR 83 1HB TYR 83 -6.716 -9.808 -14.363 611 HB3 TYR 83 2HB TYR 83 -6.623 -10.560 -12.774 612 HD1 TYR 83 HD2 TYR 83 -7.432 -7.188 -14.186 613 HD2 TYR 83 HD1 TYR 83 -8.457 -10.255 -11.422 614 HE1 TYR 83 HE2 TYR 83 -9.377 -5.872 -13.456 615 HE2 TYR 83 HE1 TYR 83 -10.406 -8.948 -10.685 616 HH TYR 83 HH TYR 83 -11.647 -7.134 -11.039 617 H GLY 84 H GLY 84 -4.327 -6.593 -12.724 618 HA2 GLY 84 1HA GLY 84 -5.156 -5.418 -15.176 619 HA3 GLY 84 2HA GLY 84 -4.019 -4.724 -14.030 620 H SER 85 H SER 85 -2.364 -7.247 -14.263 621 HA SER 85 HA SER 85 -0.410 -6.361 -15.971 622 HB2 SER 85 1HB SER 85 -1.094 -9.212 -15.221 623 HB3 SER 85 2HB SER 85 0.405 -8.731 -16.015 624 HG SER 85 HG SER 85 -0.372 -8.448 -13.392 625 H ARG 86 H ARG 86 -2.402 -9.200 -16.784 626 HA ARG 86 HA ARG 86 -1.839 -9.007 -19.555 627 HB2 ARG 86 1HB ARG 86 -2.630 -11.041 -18.108 628 HB3 ARG 86 2HB ARG 86 -4.241 -10.456 -18.504 629 HG2 ARG 86 1HG ARG 86 -2.238 -10.911 -20.673 630 HG3 ARG 86 2HG ARG 86 -3.134 -12.267 -19.984 631 HD2 ARG 86 1HD ARG 86 -5.215 -10.776 -20.417 632 HD3 ARG 86 2HD ARG 86 -4.149 -9.910 -21.523 633 HE ARG 86 HE ARG 86 -4.360 -11.642 -22.990 634 HH11 ARG 86 1HH1 ARG 86 -5.217 -12.770 -19.810 635 HH12 ARG 86 2HH1 ARG 86 -5.723 -14.333 -20.358 636 HH21 ARG 86 1HH2 ARG 86 -5.024 -13.697 -23.725 637 HH22 ARG 86 2HH2 ARG 86 -5.612 -14.860 -22.585 638 H GLY 87 H GLY 87 -4.910 -8.514 -17.793 639 HA2 GLY 87 1HA GLY 87 -6.683 -7.119 -18.223 640 HA3 GLY 87 2HA GLY 87 -5.569 -6.132 -19.159 641 H HIS 88 H HIS 88 -7.625 -5.865 -20.426 642 HA HIS 88 HA HIS 88 -7.543 -7.689 -22.681 643 HB2 HIS 88 1HB HIS 88 -9.756 -7.614 -20.748 644 HB3 HIS 88 2HB HIS 88 -10.259 -7.447 -22.427 645 HD1 HIS 88 HD1 HIS 88 -8.395 -9.833 -20.164 646 HD2 HIS 88 HD2 HIS 88 -10.268 -9.776 -23.872 647 HE1 HIS 88 HE1 HIS 88 -8.456 -12.230 -20.923 648 HA PRO 89 HA PRO 89 -8.278 -4.045 -25.011 649 HB2 PRO 89 1HB PRO 89 -9.684 -5.007 -27.125 650 HB3 PRO 89 2HB PRO 89 -7.958 -5.316 -26.899 651 HG2 PRO 89 1HG PRO 89 -10.296 -7.076 -26.269 652 HG3 PRO 89 2HG PRO 89 -8.748 -7.499 -27.023 653 HD2 PRO 89 1HD PRO 89 -9.273 -7.975 -24.410 654 HD3 PRO 89 2HD PRO 89 -7.644 -7.591 -25.001 655 H GLY 90 H GLY 90 -9.608 -2.500 -24.284 656 HA2 GLY 90 1HA GLY 90 -11.586 -1.276 -24.231 657 HA3 GLY 90 2HA GLY 90 -12.437 -2.672 -24.877 658 H VAL 91 H VAL 91 -10.553 -3.621 -22.292 659 HA VAL 91 HA VAL 91 -12.746 -3.201 -20.372 660 HB VAL 91 HB VAL 91 -11.159 -5.757 -20.624 661 HG11 VAL 91 1HG1 VAL 91 -12.618 -4.702 -18.490 662 HG12 VAL 91 2HG1 VAL 91 -13.662 -5.928 -19.211 663 HG13 VAL 91 3HG1 VAL 91 -12.038 -6.357 -18.673 664 HG21 VAL 91 3HG2 VAL 91 -12.488 -6.110 -22.407 665 HG22 VAL 91 1HG2 VAL 91 -13.719 -6.445 -21.189 666 HG23 VAL 91 2HG2 VAL 91 -13.628 -4.850 -21.937 667 H ILE 92 H ILE 92 -9.418 -4.484 -20.523 668 HA ILE 92 HA ILE 92 -8.714 -2.700 -18.297 669 HB ILE 92 HB ILE 92 -7.957 -5.618 -18.483 670 HG12 ILE 92 1HG1 ILE 92 -9.627 -4.146 -16.433 671 HG13 ILE 92 2HG1 ILE 92 -10.269 -5.188 -17.699 672 HG21 ILE 92 1HG2 ILE 92 -6.147 -4.145 -17.640 673 HG22 ILE 92 2HG2 ILE 92 -7.229 -3.614 -16.354 674 HG23 ILE 92 3HG2 ILE 92 -6.728 -5.302 -16.442 675 HD11 ILE 92 3HD1 ILE 92 -8.335 -6.148 -15.614 676 HD12 ILE 92 1HD1 ILE 92 -10.086 -6.212 -15.416 677 HD13 ILE 92 2HD1 ILE 92 -9.311 -7.112 -16.720 678 HA PRO 93 HA PRO 93 -5.353 -1.682 -20.982 679 HB2 PRO 93 1HB PRO 93 -3.866 -0.301 -19.179 680 HB3 PRO 93 2HB PRO 93 -5.332 0.354 -19.917 681 HG2 PRO 93 1HG PRO 93 -4.966 -0.910 -17.228 682 HG3 PRO 93 2HG PRO 93 -5.894 0.536 -17.667 683 HD2 PRO 93 1HD PRO 93 -7.059 -1.875 -17.261 684 HD3 PRO 93 2HD PRO 93 -7.690 -0.693 -18.426 685 HA PRO 94 HA PRO 94 -2.159 -4.631 -20.302 686 HB2 PRO 94 1HB PRO 94 -0.046 -3.392 -21.474 687 HB3 PRO 94 2HB PRO 94 -1.381 -4.093 -22.396 688 HG2 PRO 94 1HG PRO 94 -0.900 -1.240 -21.629 689 HG3 PRO 94 2HG PRO 94 -1.453 -1.904 -23.177 690 HD2 PRO 94 1HD PRO 94 -3.149 -0.801 -21.376 691 HD3 PRO 94 2HD PRO 94 -3.626 -2.136 -22.445 692 H ASN 95 H ASN 95 -1.775 -4.749 -18.115 693 HA ASN 95 HA ASN 95 -0.809 -4.356 -16.085 694 HB2 ASN 95 1HB ASN 95 1.615 -3.335 -17.526 695 HB3 ASN 95 2HB ASN 95 1.519 -4.386 -16.116 696 HD21 ASN 95 2HD2 ASN 95 1.187 -4.212 -19.587 697 HD22 ASN 95 1HD2 ASN 95 1.348 -5.907 -19.882 698 H ALA 96 H ALA 96 -2.440 -2.431 -16.214 699 HA ALA 96 HA ALA 96 -0.917 0.010 -15.589 700 HB1 ALA 96 1HB ALA 96 -2.489 -0.207 -17.794 701 HB2 ALA 96 2HB ALA 96 -3.627 0.451 -16.617 702 HB3 ALA 96 3HB ALA 96 -2.125 1.307 -16.965 703 H THR 97 H THR 97 -1.735 1.302 -13.925 704 HA THR 97 HA THR 97 -2.882 0.005 -11.756 705 HB THR 97 HB THR 97 -3.251 2.961 -12.090 706 HG1 THR 97 HG1 THR 97 -1.165 3.271 -12.246 707 HG21 THR 97 3HG2 THR 97 -3.992 1.963 -10.012 708 HG22 THR 97 1HG2 THR 97 -2.556 2.942 -9.713 709 HG23 THR 97 2HG2 THR 97 -2.425 1.185 -9.791 710 H LEU 98 H LEU 98 -4.932 -0.078 -10.878 711 HA LEU 98 HA LEU 98 -7.134 1.018 -12.481 712 HB2 LEU 98 1HB LEU 98 -7.081 -1.775 -11.351 713 HB3 LEU 98 2HB LEU 98 -8.385 -1.040 -12.282 714 HG LEU 98 HG LEU 98 -5.631 -1.632 -13.361 715 HD11 LEU 98 1HD1 LEU 98 -6.521 -3.550 -14.403 716 HD12 LEU 98 2HD1 LEU 98 -8.172 -3.122 -13.959 717 HD13 LEU 98 3HD1 LEU 98 -7.031 -3.638 -12.717 718 HD21 LEU 98 3HD2 LEU 98 -7.231 0.228 -14.318 719 HD22 LEU 98 1HD2 LEU 98 -8.043 -1.162 -15.038 720 HD23 LEU 98 2HD2 LEU 98 -6.343 -0.855 -15.391 721 H THR 99 H THR 99 -9.055 1.441 -11.331 722 HA THR 99 HA THR 99 -8.815 1.308 -8.398 723 HB THR 99 HB THR 99 -10.040 3.625 -9.901 724 HG1 THR 99 HG1 THR 99 -8.069 4.697 -9.032 725 HG21 THR 99 3HG2 THR 99 -9.996 4.734 -7.730 726 HG22 THR 99 1HG2 THR 99 -9.280 3.301 -6.995 727 HG23 THR 99 2HG2 THR 99 -10.922 3.236 -7.637 728 H PHE 100 H PHE 100 -10.247 -0.279 -7.952 729 HA PHE 100 HA PHE 100 -12.909 -0.151 -9.183 730 HB2 PHE 100 1HB PHE 100 -11.597 -2.390 -7.627 731 HB3 PHE 100 2HB PHE 100 -13.189 -2.463 -8.375 732 HD1 PHE 100 HD1 PHE 100 -9.573 -2.323 -9.011 733 HD2 PHE 100 HD2 PHE 100 -13.441 -2.811 -10.720 734 HE1 PHE 100 HE1 PHE 100 -8.546 -3.111 -11.104 735 HE2 PHE 100 HE2 PHE 100 -12.420 -3.600 -12.814 736 HZ PHE 100 HZ PHE 100 -9.970 -3.752 -13.008 737 H ASP 101 H ASP 101 -14.501 0.728 -8.057 738 HA ASP 101 HA ASP 101 -14.213 1.475 -5.327 739 HB2 ASP 101 1HB ASP 101 -15.600 2.950 -6.414 740 HB3 ASP 101 2HB ASP 101 -16.352 1.691 -7.390 741 H VAL 102 H VAL 102 -14.322 0.107 -3.681 742 HA VAL 102 HA VAL 102 -16.087 -2.236 -3.889 743 HB VAL 102 HB VAL 102 -13.839 -1.772 -1.925 744 HG11 VAL 102 1HG1 VAL 102 -14.059 -4.184 -1.501 745 HG12 VAL 102 2HG1 VAL 102 -15.533 -3.302 -1.097 746 HG13 VAL 102 3HG1 VAL 102 -15.445 -4.238 -2.589 747 HG21 VAL 102 3HG2 VAL 102 -12.805 -1.939 -4.037 748 HG22 VAL 102 1HG2 VAL 102 -12.696 -3.552 -3.331 749 HG23 VAL 102 2HG2 VAL 102 -13.908 -3.210 -4.565 750 H GLU 103 H GLU 103 -17.663 -2.632 -2.398 751 HA GLU 103 HA GLU 103 -17.940 -0.786 -0.139 752 HB2 GLU 103 1HB GLU 103 -19.339 0.173 -1.857 753 HB3 GLU 103 2HB GLU 103 -20.081 -1.387 -2.182 754 HG2 GLU 103 1HG GLU 103 -21.198 -1.383 -0.082 755 HG3 GLU 103 2HG GLU 103 -20.298 0.034 0.457 756 H LEU 104 H LEU 104 -18.006 -2.001 1.623 757 HA LEU 104 HA LEU 104 -18.551 -4.770 1.623 758 HB2 LEU 104 1HB LEU 104 -17.299 -3.155 3.325 759 HB3 LEU 104 2HB LEU 104 -18.869 -3.204 4.124 760 HG LEU 104 HG LEU 104 -17.588 -4.853 5.186 761 HD11 LEU 104 1HD1 LEU 104 -18.993 -6.495 3.109 762 HD12 LEU 104 2HD1 LEU 104 -19.889 -5.526 4.278 763 HD13 LEU 104 3HD1 LEU 104 -18.811 -6.806 4.836 764 HD21 LEU 104 3HD2 LEU 104 -15.767 -5.680 4.229 765 HD22 LEU 104 1HD2 LEU 104 -16.257 -5.009 2.673 766 HD23 LEU 104 2HD2 LEU 104 -16.778 -6.629 3.138 767 H LEU 105 H LEU 105 -20.384 -5.894 1.868 768 HA LEU 105 HA LEU 105 -22.849 -4.379 2.421 769 HB2 LEU 105 1HB LEU 105 -22.193 -6.557 0.530 770 HB3 LEU 105 2HB LEU 105 -23.782 -6.621 1.290 771 HG LEU 105 HG LEU 105 -23.883 -5.553 -0.898 772 HD11 LEU 105 1HD1 LEU 105 -24.298 -3.216 0.837 773 HD12 LEU 105 2HD1 LEU 105 -25.084 -4.703 1.365 774 HD13 LEU 105 3HD1 LEU 105 -25.419 -4.051 -0.239 775 HD21 LEU 105 3HD2 LEU 105 -21.690 -4.648 -1.123 776 HD22 LEU 105 1HD2 LEU 105 -21.899 -3.630 0.302 777 HD23 LEU 105 2HD2 LEU 105 -22.825 -3.297 -1.162 778 H ARG 106 H ARG 106 -21.021 -7.290 3.133 779 HA ARG 106 HA ARG 106 -22.058 -7.522 5.737 780 HB2 ARG 106 1HB ARG 106 -23.340 -9.614 5.499 781 HB3 ARG 106 2HB ARG 106 -24.091 -8.278 4.637 782 HG2 ARG 106 1HG ARG 106 -23.032 -9.129 2.546 783 HG3 ARG 106 2HG ARG 106 -22.498 -10.541 3.460 784 HD2 ARG 106 1HD ARG 106 -25.375 -9.674 3.245 785 HD3 ARG 106 2HD ARG 106 -24.625 -10.849 2.165 786 HE ARG 106 HE ARG 106 -24.151 -11.723 4.750 787 HH11 ARG 106 1HH1 ARG 106 -26.897 -11.122 2.697 788 HH12 ARG 106 2HH1 ARG 106 -27.887 -12.329 3.447 789 HH21 ARG 106 1HH2 ARG 106 -25.444 -13.316 5.746 790 HH22 ARG 106 2HH2 ARG 106 -27.060 -13.576 5.182 791 H VAL 107 H VAL 107 -21.370 -9.621 6.781 792 HA VAL 107 HA VAL 107 -18.997 -10.737 5.437 793 HB VAL 107 HB VAL 107 -18.365 -9.091 7.204 794 HG11 VAL 107 1HG1 VAL 107 -20.222 -9.478 8.736 795 HG12 VAL 107 2HG1 VAL 107 -19.629 -11.108 9.058 796 HG13 VAL 107 3HG1 VAL 107 -18.675 -9.709 9.552 797 HG21 VAL 107 3HG2 VAL 107 -17.583 -11.917 7.900 798 HG22 VAL 107 1HG2 VAL 107 -16.936 -11.023 6.525 799 HG23 VAL 107 2HG2 VAL 107 -16.645 -10.448 8.166 800 H GLU 108 H GLU 108 -18.430 -12.883 6.020 801 HA GLU 108 HA GLU 108 -20.323 -14.381 7.655 802 HB2 GLU 108 1HB GLU 108 -19.746 -15.034 4.761 803 HB3 GLU 108 2HB GLU 108 -20.573 -16.111 5.877 804 HG2 GLU 108 1HG GLU 108 -22.294 -14.325 6.192 805 HG3 GLU 108 2HG GLU 108 -21.513 -13.434 4.887 Start of MODEL 19 1 H1 MET 1 H MET 1 3.121 -0.917 0.597 2 HA MET 1 HA MET 1 1.036 0.873 -0.365 3 HB2 MET 1 1HB MET 1 3.911 0.410 -1.088 4 HB3 MET 1 2HB MET 1 2.851 1.278 -2.190 5 HG2 MET 1 1HG MET 1 2.972 2.129 0.658 6 HG3 MET 1 2HG MET 1 4.302 2.546 -0.421 7 HE1 MET 1 3HE MET 1 3.965 3.919 -2.691 8 HE2 MET 1 1HE MET 1 3.116 5.437 -2.398 9 HE3 MET 1 2HE MET 1 4.341 4.877 -1.259 10 H GLY 2 H GLY 2 1.024 0.858 -2.968 11 HA2 GLY 2 1HA GLY 2 0.864 -0.491 -4.928 12 HA3 GLY 2 2HA GLY 2 0.777 -1.916 -3.903 13 H VAL 3 H VAL 3 -1.203 -0.259 -2.207 14 HA VAL 3 HA VAL 3 -3.521 -0.203 -3.966 15 HB VAL 3 HB VAL 3 -3.507 -2.525 -3.272 16 HG11 VAL 3 1HG1 VAL 3 -4.023 -2.245 -0.467 17 HG12 VAL 3 2HG1 VAL 3 -2.776 -3.191 -1.283 18 HG13 VAL 3 3HG1 VAL 3 -2.474 -1.503 -0.868 19 HG21 VAL 3 3HG2 VAL 3 -5.722 -2.670 -2.628 20 HG22 VAL 3 1HG2 VAL 3 -5.604 -1.288 -1.539 21 HG23 VAL 3 2HG2 VAL 3 -5.642 -1.035 -3.284 22 H GLN 4 H GLN 4 -4.725 1.502 -3.470 23 HA GLN 4 HA GLN 4 -4.577 2.572 -0.729 24 HB2 GLN 4 1HB GLN 4 -3.868 3.834 -3.106 25 HB3 GLN 4 2HB GLN 4 -5.456 4.489 -2.728 26 HG2 GLN 4 1HG GLN 4 -4.126 5.969 -1.622 27 HG3 GLN 4 2HG GLN 4 -4.418 4.792 -0.342 28 HE21 GLN 4 2HE2 GLN 4 -2.769 3.055 -0.151 29 HE22 GLN 4 1HE2 GLN 4 -1.115 3.491 -0.393 30 H VAL 5 H VAL 5 -6.465 3.351 0.224 31 HA VAL 5 HA VAL 5 -8.963 2.607 -1.157 32 HB VAL 5 HB VAL 5 -8.508 2.512 1.826 33 HG11 VAL 5 1HG1 VAL 5 -10.794 2.792 1.484 34 HG12 VAL 5 2HG1 VAL 5 -10.796 1.799 0.025 35 HG13 VAL 5 3HG1 VAL 5 -10.613 1.042 1.608 36 HG21 VAL 5 3HG2 VAL 5 -8.896 -0.074 1.019 37 HG22 VAL 5 1HG2 VAL 5 -7.887 0.576 -0.273 38 HG23 VAL 5 2HG2 VAL 5 -7.334 0.651 1.400 39 H VAL 6 H VAL 6 -9.946 4.425 -1.757 40 HA VAL 6 HA VAL 6 -9.717 6.830 -0.121 41 HB VAL 6 HB VAL 6 -11.112 6.497 -2.778 42 HG11 VAL 6 1HG1 VAL 6 -11.111 8.600 -0.908 43 HG12 VAL 6 2HG1 VAL 6 -10.090 9.117 -2.252 44 HG13 VAL 6 3HG1 VAL 6 -11.753 8.610 -2.551 45 HG21 VAL 6 3HG2 VAL 6 -8.880 7.893 -3.354 46 HG22 VAL 6 1HG2 VAL 6 -8.270 6.841 -2.076 47 HG23 VAL 6 2HG2 VAL 6 -9.008 6.141 -3.517 48 H THR 7 H THR 7 -11.042 6.570 1.624 49 HA THR 7 HA THR 7 -13.502 5.339 1.763 50 HB THR 7 HB THR 7 -12.949 7.864 3.303 51 HG1 THR 7 HG1 THR 7 -11.478 6.822 4.506 52 HG21 THR 7 3HG2 THR 7 -14.941 5.883 3.408 53 HG22 THR 7 1HG2 THR 7 -14.659 7.187 4.562 54 HG23 THR 7 2HG2 THR 7 -13.905 5.612 4.809 55 H LEU 8 H LEU 8 -15.414 5.721 0.870 56 HA LEU 8 HA LEU 8 -15.934 8.391 -0.247 57 HB2 LEU 8 1HB LEU 8 -17.125 5.710 -0.934 58 HB3 LEU 8 2HB LEU 8 -17.628 7.241 -1.646 59 HG LEU 8 HG LEU 8 -14.781 6.342 -1.867 60 HD11 LEU 8 1HD1 LEU 8 -15.201 4.723 -3.334 61 HD12 LEU 8 2HD1 LEU 8 -16.410 5.691 -4.176 62 HD13 LEU 8 3HD1 LEU 8 -16.865 4.758 -2.750 63 HD21 LEU 8 3HD2 LEU 8 -16.460 8.453 -2.923 64 HD22 LEU 8 1HD2 LEU 8 -15.656 7.546 -4.204 65 HD23 LEU 8 2HD2 LEU 8 -14.702 8.299 -2.925 66 H ALA 9 H ALA 9 -17.557 5.711 1.439 67 HA ALA 9 HA ALA 9 -19.184 7.672 2.874 68 HB1 ALA 9 1HB ALA 9 -21.233 6.832 2.271 69 HB2 ALA 9 2HB ALA 9 -20.340 6.640 0.761 70 HB3 ALA 9 3HB ALA 9 -20.579 5.255 1.827 71 H ALA 10 H ALA 10 -18.615 7.285 4.917 72 HA ALA 10 HA ALA 10 -17.528 4.985 5.981 73 HB1 ALA 10 1HB ALA 10 -17.691 5.991 8.030 74 HB2 ALA 10 2HB ALA 10 -17.896 7.391 6.978 75 HB3 ALA 10 3HB ALA 10 -19.305 6.627 7.714 76 H GLY 11 H GLY 11 -18.416 3.392 7.454 77 HA2 GLY 11 1HA GLY 11 -21.281 2.844 7.013 78 HA3 GLY 11 2HA GLY 11 -20.081 1.583 6.771 79 H ASP 12 H ASP 12 -20.194 0.170 8.377 80 HA ASP 12 HA ASP 12 -21.189 0.858 10.969 81 HB2 ASP 12 1HB ASP 12 -21.506 -1.376 9.888 82 HB3 ASP 12 2HB ASP 12 -19.787 -1.684 10.122 83 H GLU 13 H GLU 13 -18.007 0.250 9.584 84 HA GLU 13 HA GLU 13 -15.897 0.469 10.419 85 HB2 GLU 13 1HB GLU 13 -17.008 2.840 10.614 86 HB3 GLU 13 2HB GLU 13 -16.911 2.527 12.341 87 HG2 GLU 13 1HG GLU 13 -14.494 2.190 12.136 88 HG3 GLU 13 2HG GLU 13 -14.601 2.540 10.412 89 H ALA 14 H ALA 14 -17.662 -1.447 11.737 90 HA ALA 14 HA ALA 14 -16.186 -1.666 14.264 91 HB1 ALA 14 1HB ALA 14 -18.892 -1.014 14.136 92 HB2 ALA 14 2HB ALA 14 -18.851 -2.728 14.553 93 HB3 ALA 14 3HB ALA 14 -17.992 -1.556 15.553 94 H THR 15 H THR 15 -18.182 -3.266 11.823 95 HA THR 15 HA THR 15 -17.094 -5.866 12.628 96 HB THR 15 HB THR 15 -19.162 -5.486 10.482 97 HG1 THR 15 HG1 THR 15 -19.601 -4.479 12.728 98 HG21 THR 15 3HG2 THR 15 -18.026 -7.705 10.938 99 HG22 THR 15 1HG2 THR 15 -19.787 -7.713 11.003 100 HG23 THR 15 2HG2 THR 15 -18.850 -7.703 12.497 101 H TYR 16 H TYR 16 -15.243 -6.403 11.677 102 HA TYR 16 HA TYR 16 -14.858 -5.684 8.846 103 HB2 TYR 16 1HB TYR 16 -12.832 -6.100 11.047 104 HB3 TYR 16 2HB TYR 16 -12.402 -5.942 9.348 105 HD1 TYR 16 HD1 TYR 16 -14.280 -4.147 12.030 106 HD2 TYR 16 HD2 TYR 16 -11.926 -3.839 8.499 107 HE1 TYR 16 HE1 TYR 16 -14.248 -1.700 12.272 108 HE2 TYR 16 HE2 TYR 16 -11.886 -1.391 8.733 109 HH TYR 16 HH TYR 16 -12.545 0.210 11.434 110 HA PRO 17 HA PRO 17 -14.680 -9.923 7.723 111 HB2 PRO 17 1HB PRO 17 -12.839 -9.870 5.729 112 HB3 PRO 17 2HB PRO 17 -14.471 -9.217 5.547 113 HG2 PRO 17 1HG PRO 17 -11.908 -7.780 6.121 114 HG3 PRO 17 2HG PRO 17 -13.218 -7.332 5.013 115 HD2 PRO 17 1HD PRO 17 -12.942 -6.220 7.466 116 HD3 PRO 17 2HD PRO 17 -14.526 -6.472 6.704 117 H LYS 18 H LYS 18 -13.765 -11.588 8.732 118 HA LYS 18 HA LYS 18 -11.204 -11.341 10.004 119 HB2 LYS 18 1HB LYS 18 -13.359 -12.688 10.721 120 HB3 LYS 18 2HB LYS 18 -12.623 -13.961 9.758 121 HG2 LYS 18 1HG LYS 18 -11.910 -14.359 11.949 122 HG3 LYS 18 2HG LYS 18 -10.531 -13.600 11.152 123 HD2 LYS 18 1HD LYS 18 -10.566 -12.357 13.061 124 HD3 LYS 18 2HD LYS 18 -11.691 -11.401 12.094 125 HE2 LYS 18 1HE LYS 18 -12.659 -11.720 14.256 126 HE3 LYS 18 2HE LYS 18 -13.557 -12.710 13.107 127 HZ1 LYS 18 3HZ LYS 18 -11.328 -13.847 14.671 128 HZ2 LYS 18 1HZ LYS 18 -12.615 -14.650 13.922 129 HZ3 LYS 18 2HZ LYS 18 -12.884 -13.747 15.326 130 H ALA 19 H ALA 19 -9.284 -12.248 9.445 131 HA ALA 19 HA ALA 19 -8.727 -12.791 6.764 132 HB1 ALA 19 1HB ALA 19 -7.008 -12.054 8.296 133 HB2 ALA 19 2HB ALA 19 -7.152 -13.549 9.221 134 HB3 ALA 19 3HB ALA 19 -6.539 -13.590 7.568 135 H GLY 20 H GLY 20 -9.200 -14.497 5.552 136 HA2 GLY 20 1HA GLY 20 -9.113 -16.791 5.001 137 HA3 GLY 20 2HA GLY 20 -9.045 -17.175 6.715 138 H GLN 21 H GLN 21 -11.407 -14.906 6.343 139 HA GLN 21 HA GLN 21 -13.484 -16.985 6.244 140 HB2 GLN 21 1HB GLN 21 -13.049 -14.708 7.958 141 HB3 GLN 21 2HB GLN 21 -14.614 -14.581 7.166 142 HG2 GLN 21 1HG GLN 21 -14.710 -17.145 7.939 143 HG3 GLN 21 2HG GLN 21 -13.662 -16.491 9.197 144 HE21 GLN 21 2HE2 GLN 21 -14.699 -13.964 9.479 145 HE22 GLN 21 1HE2 GLN 21 -16.306 -14.067 10.106 146 H VAL 22 H VAL 22 -15.629 -16.206 5.378 147 HA VAL 22 HA VAL 22 -15.176 -15.037 2.765 148 HB VAL 22 HB VAL 22 -17.794 -16.001 3.915 149 HG11 VAL 22 1HG1 VAL 22 -18.261 -16.392 1.459 150 HG12 VAL 22 2HG1 VAL 22 -18.175 -14.706 1.973 151 HG13 VAL 22 3HG1 VAL 22 -16.814 -15.441 1.126 152 HG21 VAL 22 3HG2 VAL 22 -16.111 -17.779 4.048 153 HG22 VAL 22 1HG2 VAL 22 -17.343 -18.141 2.839 154 HG23 VAL 22 2HG2 VAL 22 -15.754 -17.567 2.334 155 H ALA 23 H ALA 23 -16.315 -13.243 1.931 156 HA ALA 23 HA ALA 23 -17.833 -11.578 3.768 157 HB1 ALA 23 1HB ALA 23 -16.244 -9.629 2.852 158 HB2 ALA 23 2HB ALA 23 -15.937 -10.492 4.360 159 HB3 ALA 23 3HB ALA 23 -15.081 -10.954 2.889 160 H VAL 24 H VAL 24 -19.396 -10.467 2.745 161 HA VAL 24 HA VAL 24 -19.464 -10.623 -0.182 162 HB VAL 24 HB VAL 24 -21.738 -9.838 1.636 163 HG11 VAL 24 1HG1 VAL 24 -21.400 -10.318 -1.255 164 HG12 VAL 24 2HG1 VAL 24 -22.859 -10.986 -0.522 165 HG13 VAL 24 3HG1 VAL 24 -22.522 -9.259 -0.402 166 HG21 VAL 24 3HG2 VAL 24 -20.517 -12.425 1.271 167 HG22 VAL 24 1HG2 VAL 24 -21.818 -11.941 2.358 168 HG23 VAL 24 2HG2 VAL 24 -22.187 -12.431 0.704 169 H VAL 25 H VAL 25 -19.151 -8.878 -1.393 170 HA VAL 25 HA VAL 25 -19.819 -6.233 -0.362 171 HB VAL 25 HB VAL 25 -17.717 -5.248 -0.702 172 HG11 VAL 25 1HG1 VAL 25 -16.285 -6.363 0.824 173 HG12 VAL 25 2HG1 VAL 25 -17.936 -6.734 1.325 174 HG13 VAL 25 3HG1 VAL 25 -16.990 -7.935 0.444 175 HG21 VAL 25 3HG2 VAL 25 -15.799 -6.813 -1.574 176 HG22 VAL 25 1HG2 VAL 25 -17.141 -7.697 -2.300 177 HG23 VAL 25 2HG2 VAL 25 -16.880 -6.001 -2.705 178 H HIS 26 H HIS 26 -19.181 -4.560 -2.199 179 HA HIS 26 HA HIS 26 -20.036 -5.721 -4.769 180 HB2 HIS 26 1HB HIS 26 -21.143 -3.500 -3.209 181 HB3 HIS 26 2HB HIS 26 -20.835 -3.090 -4.894 182 HD1 HIS 26 HD1 HIS 26 -22.029 -4.720 -6.686 183 HD2 HIS 26 HD2 HIS 26 -23.432 -4.914 -2.780 184 HE1 HIS 26 HE1 HIS 26 -24.274 -5.844 -6.834 185 H TYR 27 H TYR 27 -18.698 -5.396 -6.419 186 HA TYR 27 HA TYR 27 -16.586 -3.371 -6.116 187 HB2 TYR 27 1HB TYR 27 -15.261 -4.708 -7.661 188 HB3 TYR 27 2HB TYR 27 -15.811 -5.708 -6.321 189 HD1 TYR 27 HD2 TYR 27 -16.244 -4.981 -9.902 190 HD2 TYR 27 HD1 TYR 27 -17.321 -7.540 -6.678 191 HE1 TYR 27 HE2 TYR 27 -17.205 -6.583 -11.502 192 HE2 TYR 27 HE1 TYR 27 -18.284 -9.150 -8.269 193 HH TYR 27 HH TYR 27 -18.402 -8.454 -11.741 194 H THR 28 H THR 28 -16.323 -1.795 -7.600 195 HA THR 28 HA THR 28 -18.019 -1.869 -10.006 196 HB THR 28 HB THR 28 -17.567 0.516 -8.203 197 HG1 THR 28 HG1 THR 28 -19.566 0.151 -7.530 198 HG21 THR 28 3HG2 THR 28 -17.952 1.802 -9.981 199 HG22 THR 28 1HG2 THR 28 -19.539 1.052 -10.142 200 HG23 THR 28 2HG2 THR 28 -18.156 0.383 -11.008 201 H GLY 29 H GLY 29 -16.923 -1.579 -11.835 202 HA2 GLY 29 1HA GLY 29 -14.131 -1.169 -11.876 203 HA3 GLY 29 2HA GLY 29 -15.192 -1.128 -13.275 204 H THR 30 H THR 30 -12.868 0.573 -12.323 205 HA THR 30 HA THR 30 -13.876 3.056 -13.273 206 HB THR 30 HB THR 30 -12.826 3.828 -10.735 207 HG1 THR 30 HG1 THR 30 -14.108 2.764 -9.330 208 HG21 THR 30 3HG2 THR 30 -15.519 4.064 -12.064 209 HG22 THR 30 1HG2 THR 30 -14.242 5.276 -11.979 210 HG23 THR 30 2HG2 THR 30 -15.135 4.833 -10.525 211 H LEU 31 H LEU 31 -12.246 4.421 -13.913 212 HA LEU 31 HA LEU 31 -9.535 3.344 -13.661 213 HB2 LEU 31 1HB LEU 31 -10.797 5.292 -15.570 214 HB3 LEU 31 2HB LEU 31 -9.056 5.033 -15.495 215 HG LEU 31 HG LEU 31 -11.140 2.978 -16.231 216 HD11 LEU 31 1HD1 LEU 31 -8.971 4.179 -17.936 217 HD12 LEU 31 2HD1 LEU 31 -10.632 4.772 -17.911 218 HD13 LEU 31 3HD1 LEU 31 -10.292 3.125 -18.443 219 HD21 LEU 31 3HD2 LEU 31 -9.089 1.632 -16.840 220 HD22 LEU 31 1HD2 LEU 31 -9.409 1.818 -15.115 221 HD23 LEU 31 2HD2 LEU 31 -8.157 2.789 -15.889 222 H ALA 32 H ALA 32 -7.740 4.869 -13.388 223 HA ALA 32 HA ALA 32 -8.029 6.455 -11.103 224 HB1 ALA 32 1HB ALA 32 -5.848 5.964 -11.262 225 HB2 ALA 32 2HB ALA 32 -5.896 5.866 -13.022 226 HB3 ALA 32 3HB ALA 32 -5.754 7.435 -12.231 227 H ASP 33 H ASP 33 -8.633 7.166 -14.409 228 HA ASP 33 HA ASP 33 -8.444 10.039 -14.076 229 HB2 ASP 33 1HB ASP 33 -9.226 8.254 -16.374 230 HB3 ASP 33 2HB ASP 33 -9.423 10.002 -16.447 231 H GLY 34 H GLY 34 -10.750 7.624 -13.521 232 HA2 GLY 34 1HA GLY 34 -12.740 8.282 -12.284 233 HA3 GLY 34 2HA GLY 34 -12.860 9.680 -13.342 234 H LYS 35 H LYS 35 -12.046 7.658 -15.563 235 HA LYS 35 HA LYS 35 -14.519 7.348 -16.743 236 HB2 LYS 35 1HB LYS 35 -12.043 6.912 -17.596 237 HB3 LYS 35 2HB LYS 35 -12.462 5.243 -17.230 238 HG2 LYS 35 1HG LYS 35 -14.142 5.181 -18.837 239 HG3 LYS 35 2HG LYS 35 -14.251 6.941 -18.926 240 HD2 LYS 35 1HD LYS 35 -11.732 5.517 -19.709 241 HD3 LYS 35 2HD LYS 35 -13.078 5.662 -20.843 242 HE2 LYS 35 1HE LYS 35 -13.003 8.171 -20.282 243 HE3 LYS 35 2HE LYS 35 -11.410 7.830 -19.608 244 HZ1 LYS 35 3HZ LYS 35 -10.612 8.016 -21.651 245 HZ2 LYS 35 1HZ LYS 35 -12.161 8.158 -22.316 246 HZ3 LYS 35 2HZ LYS 35 -11.472 6.629 -22.096 247 H VAL 36 H VAL 36 -16.245 6.278 -16.061 248 HA VAL 36 HA VAL 36 -16.130 4.224 -14.093 249 HB VAL 36 HB VAL 36 -18.061 5.818 -14.464 250 HG11 VAL 36 1HG1 VAL 36 -18.207 5.537 -16.901 251 HG12 VAL 36 2HG1 VAL 36 -18.742 3.871 -16.666 252 HG13 VAL 36 3HG1 VAL 36 -19.744 5.209 -16.102 253 HG21 VAL 36 3HG2 VAL 36 -19.427 3.264 -14.489 254 HG22 VAL 36 1HG2 VAL 36 -17.985 3.228 -13.474 255 HG23 VAL 36 2HG2 VAL 36 -19.241 4.430 -13.179 256 H PHE 37 H PHE 37 -16.377 2.034 -14.276 257 HA PHE 37 HA PHE 37 -16.454 0.925 -17.003 258 HB2 PHE 37 1HB PHE 37 -14.504 0.470 -14.819 259 HB3 PHE 37 2HB PHE 37 -15.024 -0.960 -15.705 260 HD1 PHE 37 HD1 PHE 37 -14.003 2.546 -16.492 261 HD2 PHE 37 HD2 PHE 37 -13.678 -1.590 -17.441 262 HE1 PHE 37 HE1 PHE 37 -12.410 3.087 -18.288 263 HE2 PHE 37 HE2 PHE 37 -12.084 -1.056 -19.238 264 HZ PHE 37 HZ PHE 37 -11.448 1.285 -19.663 265 H ASP 38 H ASP 38 -16.648 -1.682 -16.600 266 HA ASP 38 HA ASP 38 -19.300 -2.114 -15.877 267 HB2 ASP 38 1HB ASP 38 -17.517 -3.588 -17.197 268 HB3 ASP 38 2HB ASP 38 -17.376 -4.377 -15.628 269 H SER 39 H SER 39 -20.323 -2.477 -14.011 270 HA SER 39 HA SER 39 -18.691 -3.008 -11.615 271 HB2 SER 39 1HB SER 39 -19.968 -1.503 -10.331 272 HB3 SER 39 2HB SER 39 -19.707 -0.649 -11.851 273 HG SER 39 HG SER 39 -21.803 -0.483 -11.840 274 H SER 40 H SER 40 -19.652 -4.279 -9.977 275 HA SER 40 HA SER 40 -21.381 -6.331 -10.989 276 HB2 SER 40 1HB SER 40 -20.554 -7.561 -9.290 277 HB3 SER 40 2HB SER 40 -19.458 -6.209 -9.007 278 HG SER 40 HG SER 40 -21.092 -7.126 -7.287 279 H ARG 41 H ARG 41 -21.852 -3.359 -9.406 280 HA ARG 41 HA ARG 41 -24.255 -3.992 -8.005 281 HB2 ARG 41 1HB ARG 41 -23.169 -1.327 -8.933 282 HB3 ARG 41 2HB ARG 41 -24.523 -1.537 -7.830 283 HG2 ARG 41 1HG ARG 41 -23.118 -2.469 -6.154 284 HG3 ARG 41 2HG ARG 41 -21.758 -2.578 -7.273 285 HD2 ARG 41 1HD ARG 41 -21.604 -0.672 -5.685 286 HD3 ARG 41 2HD ARG 41 -21.576 -0.191 -7.381 287 HE ARG 41 HE ARG 41 -23.496 0.984 -7.021 288 HH11 ARG 41 1HH1 ARG 41 -23.154 -1.387 -4.495 289 HH12 ARG 41 2HH1 ARG 41 -24.523 -0.819 -3.598 290 HH21 ARG 41 1HH2 ARG 41 -25.300 1.741 -5.849 291 HH22 ARG 41 2HH2 ARG 41 -25.744 0.959 -4.369 292 H THR 42 H THR 42 -23.524 -2.596 -11.172 293 HA THR 42 HA THR 42 -26.127 -1.913 -11.931 294 HB THR 42 HB THR 42 -25.186 -2.382 -14.322 295 HG1 THR 42 HG1 THR 42 -23.025 -2.721 -14.428 296 HG21 THR 42 3HG2 THR 42 -25.043 -0.163 -14.198 297 HG22 THR 42 1HG2 THR 42 -23.437 -0.336 -13.490 298 HG23 THR 42 2HG2 THR 42 -24.856 -0.238 -12.446 299 H ARG 43 H ARG 43 -24.643 -4.985 -11.585 300 HA ARG 43 HA ARG 43 -26.489 -6.355 -13.348 301 HB2 ARG 43 1HB ARG 43 -24.076 -7.050 -12.951 302 HB3 ARG 43 2HB ARG 43 -24.594 -7.610 -11.366 303 HG2 ARG 43 1HG ARG 43 -25.829 -9.350 -12.234 304 HG3 ARG 43 2HG ARG 43 -26.013 -8.571 -13.807 305 HD2 ARG 43 1HD ARG 43 -23.463 -9.733 -12.691 306 HD3 ARG 43 2HD ARG 43 -24.483 -10.474 -13.924 307 HE ARG 43 HE ARG 43 -23.813 -7.968 -14.874 308 HH11 ARG 43 1HH1 ARG 43 -22.143 -10.877 -13.940 309 HH12 ARG 43 2HH1 ARG 43 -20.827 -10.630 -15.040 310 HH21 ARG 43 1HH2 ARG 43 -22.087 -7.632 -16.326 311 HH22 ARG 43 2HH2 ARG 43 -20.796 -8.784 -16.396 312 H GLY 44 H GLY 44 -26.455 -5.276 -10.132 313 HA2 GLY 44 1HA GLY 44 -28.072 -5.436 -8.496 314 HA3 GLY 44 2HA GLY 44 -29.041 -6.378 -9.619 315 H LYS 45 H LYS 45 -25.782 -7.270 -8.717 316 HA LYS 45 HA LYS 45 -26.705 -9.214 -6.769 317 HB2 LYS 45 1HB LYS 45 -27.006 -10.387 -8.906 318 HB3 LYS 45 2HB LYS 45 -25.327 -10.069 -9.322 319 HG2 LYS 45 1HG LYS 45 -24.804 -11.331 -7.120 320 HG3 LYS 45 2HG LYS 45 -26.447 -11.950 -7.292 321 HD2 LYS 45 1HD LYS 45 -25.945 -13.134 -9.197 322 HD3 LYS 45 2HD LYS 45 -24.615 -12.062 -9.641 323 HE2 LYS 45 1HE LYS 45 -23.552 -14.028 -8.969 324 HE3 LYS 45 2HE LYS 45 -23.440 -12.982 -7.554 325 HZ1 LYS 45 3HZ LYS 45 -25.798 -14.316 -7.223 326 HZ2 LYS 45 1HZ LYS 45 -24.339 -14.662 -6.439 327 HZ3 LYS 45 2HZ LYS 45 -24.761 -15.498 -7.848 328 HA PRO 46 HA PRO 46 -22.755 -7.771 -5.251 329 HB2 PRO 46 1HB PRO 46 -22.943 -9.008 -2.842 330 HB3 PRO 46 2HB PRO 46 -23.796 -7.507 -3.219 331 HG2 PRO 46 1HG PRO 46 -24.818 -10.320 -3.230 332 HG3 PRO 46 2HG PRO 46 -25.593 -8.851 -2.609 333 HD2 PRO 46 1HD PRO 46 -26.230 -9.930 -5.009 334 HD3 PRO 46 2HD PRO 46 -26.291 -8.182 -4.701 335 H PHE 47 H PHE 47 -20.767 -8.771 -4.494 336 HA PHE 47 HA PHE 47 -20.563 -11.632 -5.153 337 HB2 PHE 47 1HB PHE 47 -19.646 -9.939 -6.901 338 HB3 PHE 47 2HB PHE 47 -18.330 -9.715 -5.753 339 HD1 PHE 47 HD2 PHE 47 -16.911 -11.672 -5.127 340 HD2 PHE 47 HD1 PHE 47 -19.745 -11.828 -8.298 341 HE1 PHE 47 HE2 PHE 47 -15.784 -13.664 -6.031 342 HE2 PHE 47 HE1 PHE 47 -18.624 -13.820 -9.207 343 HZ PHE 47 HZ PHE 47 -16.640 -14.740 -8.074 344 H ARG 48 H ARG 48 -19.532 -12.852 -3.693 345 HA ARG 48 HA ARG 48 -18.045 -11.470 -1.556 346 HB2 ARG 48 1HB ARG 48 -18.988 -12.817 0.052 347 HB3 ARG 48 2HB ARG 48 -20.326 -12.698 -1.084 348 HG2 ARG 48 1HG ARG 48 -18.367 -14.978 -0.898 349 HG3 ARG 48 2HG ARG 48 -20.027 -14.979 -0.300 350 HD2 ARG 48 1HD ARG 48 -19.157 -14.681 -3.173 351 HD3 ARG 48 2HD ARG 48 -19.889 -16.111 -2.446 352 HE ARG 48 HE ARG 48 -21.234 -13.715 -3.304 353 HH11 ARG 48 1HH1 ARG 48 -21.383 -16.516 -1.241 354 HH12 ARG 48 2HH1 ARG 48 -23.113 -16.509 -1.138 355 HH21 ARG 48 1HH2 ARG 48 -23.512 -13.696 -3.176 356 HH22 ARG 48 2HH2 ARG 48 -24.322 -14.906 -2.240 357 H PHE 49 H PHE 49 -16.482 -12.970 -0.406 358 HA PHE 49 HA PHE 49 -15.451 -15.255 -1.699 359 HB2 PHE 49 1HB PHE 49 -13.357 -14.350 -2.585 360 HB3 PHE 49 2HB PHE 49 -14.740 -13.617 -3.391 361 HD1 PHE 49 HD2 PHE 49 -11.983 -13.065 -1.046 362 HD2 PHE 49 HD1 PHE 49 -15.252 -11.287 -3.113 363 HE1 PHE 49 HE2 PHE 49 -11.118 -10.831 -0.485 364 HE2 PHE 49 HE1 PHE 49 -14.392 -9.050 -2.556 365 HZ PHE 49 HZ PHE 49 -12.323 -8.820 -1.239 366 H THR 50 H THR 50 -13.274 -15.879 -0.783 367 HA THR 50 HA THR 50 -13.308 -15.342 2.063 368 HB THR 50 HB THR 50 -11.524 -17.189 0.464 369 HG1 THR 50 HG1 THR 50 -13.696 -17.914 2.142 370 HG21 THR 50 3HG2 THR 50 -11.040 -18.231 2.638 371 HG22 THR 50 1HG2 THR 50 -11.988 -16.981 3.442 372 HG23 THR 50 2HG2 THR 50 -10.507 -16.551 2.587 373 H VAL 51 H VAL 51 -12.352 -13.513 2.707 374 HA VAL 51 HA VAL 51 -10.286 -12.178 1.340 375 HB VAL 51 HB VAL 51 -10.895 -11.932 4.286 376 HG11 VAL 51 1HG1 VAL 51 -10.274 -9.475 3.594 377 HG12 VAL 51 2HG1 VAL 51 -9.015 -10.657 3.960 378 HG13 VAL 51 3HG1 VAL 51 -9.422 -10.290 2.283 379 HG21 VAL 51 3HG2 VAL 51 -12.337 -10.863 1.886 380 HG22 VAL 51 1HG2 VAL 51 -12.994 -11.632 3.331 381 HG23 VAL 51 2HG2 VAL 51 -12.360 -9.989 3.418 382 H GLY 52 H GLY 52 -8.381 -13.151 0.969 383 HA2 GLY 52 1HA GLY 52 -6.176 -13.378 2.096 384 HA3 GLY 52 2HA GLY 52 -7.008 -14.367 3.287 385 H ARG 53 H ARG 53 -8.588 -15.390 0.791 386 HA ARG 53 HA ARG 53 -6.919 -17.709 0.424 387 HB2 ARG 53 1HB ARG 53 -9.696 -16.926 -0.287 388 HB3 ARG 53 2HB ARG 53 -8.933 -18.160 -1.281 389 HG2 ARG 53 1HG ARG 53 -9.096 -18.321 1.717 390 HG3 ARG 53 2HG ARG 53 -10.305 -19.011 0.633 391 HD2 ARG 53 1HD ARG 53 -8.678 -20.471 -0.350 392 HD3 ARG 53 2HD ARG 53 -7.369 -19.681 0.529 393 HE ARG 53 HE ARG 53 -9.180 -21.681 1.535 394 HH11 ARG 53 1HH1 ARG 53 -7.012 -19.085 2.361 395 HH12 ARG 53 2HH1 ARG 53 -6.724 -19.664 3.969 396 HH21 ARG 53 1HH2 ARG 53 -8.808 -22.452 3.649 397 HH22 ARG 53 2HH2 ARG 53 -7.745 -21.579 4.700 398 H GLY 54 H GLY 54 -6.993 -18.592 -2.001 399 HA2 GLY 54 1HA GLY 54 -5.583 -16.546 -3.559 400 HA3 GLY 54 2HA GLY 54 -5.475 -18.283 -3.802 401 H GLU 55 H GLU 55 -8.594 -16.856 -3.360 402 HA GLU 55 HA GLU 55 -9.283 -17.578 -6.099 403 HB2 GLU 55 1HB GLU 55 -11.046 -16.685 -3.810 404 HB3 GLU 55 2HB GLU 55 -11.611 -17.263 -5.371 405 HG2 GLU 55 1HG GLU 55 -9.888 -18.946 -3.586 406 HG3 GLU 55 2HG GLU 55 -11.643 -18.899 -3.426 407 H VAL 56 H VAL 56 -8.689 -14.791 -4.168 408 HA VAL 56 HA VAL 56 -9.708 -13.058 -6.325 409 HB VAL 56 HB VAL 56 -9.713 -11.240 -4.583 410 HG11 VAL 56 1HG1 VAL 56 -11.873 -11.729 -3.892 411 HG12 VAL 56 2HG1 VAL 56 -11.692 -12.727 -5.336 412 HG13 VAL 56 3HG1 VAL 56 -11.540 -13.454 -3.735 413 HG21 VAL 56 3HG2 VAL 56 -8.940 -11.595 -2.527 414 HG22 VAL 56 1HG2 VAL 56 -9.978 -13.006 -2.327 415 HG23 VAL 56 2HG2 VAL 56 -8.385 -13.180 -3.065 416 H ILE 57 H ILE 57 -8.486 -10.767 -6.007 417 HA ILE 57 HA ILE 57 -5.664 -11.412 -6.443 418 HB ILE 57 HB ILE 57 -5.544 -9.082 -7.377 419 HG12 ILE 57 1HG1 ILE 57 -8.529 -9.106 -7.553 420 HG13 ILE 57 2HG1 ILE 57 -7.776 -8.528 -6.071 421 HG21 ILE 57 1HG2 ILE 57 -5.639 -10.587 -9.078 422 HG22 ILE 57 2HG2 ILE 57 -7.142 -11.309 -8.505 423 HG23 ILE 57 3HG2 ILE 57 -7.174 -9.767 -9.361 424 HD11 ILE 57 3HD1 ILE 57 -6.482 -6.909 -7.431 425 HD12 ILE 57 1HD1 ILE 57 -7.400 -7.430 -8.844 426 HD13 ILE 57 2HD1 ILE 57 -8.227 -6.662 -7.488 427 H ARG 58 H ARG 58 -4.022 -9.891 -5.648 428 HA ARG 58 HA ARG 58 -4.036 -9.600 -2.908 429 HB2 ARG 58 1HB ARG 58 -2.501 -7.942 -4.919 430 HB3 ARG 58 2HB ARG 58 -2.126 -8.065 -3.205 431 HG2 ARG 58 1HG ARG 58 -2.253 -10.542 -4.859 432 HG3 ARG 58 2HG ARG 58 -0.830 -9.501 -4.946 433 HD2 ARG 58 1HD ARG 58 -0.292 -9.844 -2.708 434 HD3 ARG 58 2HD ARG 58 -1.921 -10.380 -2.300 435 HE ARG 58 HE ARG 58 0.231 -11.998 -3.242 436 HH11 ARG 58 1HH1 ARG 58 -3.233 -11.654 -3.251 437 HH12 ARG 58 2HH1 ARG 58 -3.531 -13.344 -3.489 438 HH21 ARG 58 1HH2 ARG 58 -0.149 -14.226 -3.556 439 HH22 ARG 58 2HH2 ARG 58 -1.776 -14.806 -3.662 440 H GLY 59 H GLY 59 -4.831 -7.157 -5.364 441 HA2 GLY 59 1HA GLY 59 -5.192 -4.935 -3.787 442 HA3 GLY 59 2HA GLY 59 -6.150 -5.278 -5.220 443 H TRP 60 H TRP 60 -7.851 -7.121 -4.727 444 HA TRP 60 HA TRP 60 -9.775 -6.029 -3.047 445 HB2 TRP 60 1HB TRP 60 -9.425 -8.696 -4.352 446 HB3 TRP 60 2HB TRP 60 -10.707 -8.497 -3.159 447 HD1 TRP 60 HD1 TRP 60 -10.092 -5.405 -5.175 448 HE1 TRP 60 HE1 TRP 60 -11.969 -5.105 -6.910 449 HE3 TRP 60 HE3 TRP 60 -12.320 -9.987 -4.759 450 HZ2 TRP 60 HZ2 TRP 60 -14.111 -6.612 -7.963 451 HZ3 TRP 60 HZ3 TRP 60 -14.278 -10.478 -6.165 452 HH2 TRP 60 HH2 TRP 60 -15.154 -8.824 -7.733 453 H ASP 61 H ASP 61 -7.453 -8.626 -2.425 454 HA ASP 61 HA ASP 61 -8.328 -9.538 0.018 455 HB2 ASP 61 1HB ASP 61 -6.159 -10.046 -1.506 456 HB3 ASP 61 2HB ASP 61 -5.403 -9.125 -0.209 457 H GLU 62 H GLU 62 -5.800 -7.048 -0.379 458 HA GLU 62 HA GLU 62 -5.851 -6.248 2.325 459 HB2 GLU 62 1HB GLU 62 -4.865 -4.806 -0.140 460 HB3 GLU 62 2HB GLU 62 -4.594 -4.244 1.504 461 HG2 GLU 62 1HG GLU 62 -3.662 -6.894 0.426 462 HG3 GLU 62 2HG GLU 62 -2.667 -5.443 0.532 463 H GLY 63 H GLY 63 -7.363 -4.877 -0.581 464 HA2 GLY 63 1HA GLY 63 -8.462 -2.576 0.474 465 HA3 GLY 63 2HA GLY 63 -9.203 -3.520 -0.811 466 H VAL 64 H VAL 64 -10.251 -5.644 0.126 467 HA VAL 64 HA VAL 64 -12.429 -4.831 1.707 468 HB VAL 64 HB VAL 64 -12.413 -6.756 0.083 469 HG11 VAL 64 1HG1 VAL 64 -10.268 -7.667 1.341 470 HG12 VAL 64 2HG1 VAL 64 -11.488 -8.538 2.272 471 HG13 VAL 64 3HG1 VAL 64 -11.395 -8.748 0.523 472 HG21 VAL 64 3HG2 VAL 64 -14.218 -6.314 1.754 473 HG22 VAL 64 1HG2 VAL 64 -14.068 -8.005 1.277 474 HG23 VAL 64 2HG2 VAL 64 -13.430 -7.468 2.831 475 H ALA 65 H ALA 65 -9.386 -6.372 2.509 476 HA ALA 65 HA ALA 65 -9.970 -7.298 5.074 477 HB1 ALA 65 1HB ALA 65 -7.464 -6.449 3.697 478 HB2 ALA 65 2HB ALA 65 -7.432 -6.792 5.427 479 HB3 ALA 65 3HB ALA 65 -7.939 -8.041 4.290 480 H GLN 66 H GLN 66 -8.997 -4.092 3.961 481 HA GLN 66 HA GLN 66 -9.127 -3.074 6.701 482 HB2 GLN 66 1HB GLN 66 -8.267 -1.680 4.160 483 HB3 GLN 66 2HB GLN 66 -8.149 -1.024 5.787 484 HG2 GLN 66 1HG GLN 66 -6.470 -2.547 6.396 485 HG3 GLN 66 2HG GLN 66 -6.776 -3.568 4.991 486 HE21 GLN 66 2HE2 GLN 66 -6.489 -2.375 2.854 487 HE22 GLN 66 1HE2 GLN 66 -5.081 -1.382 2.724 488 H MET 67 H MET 67 -11.481 -3.890 5.032 489 HA MET 67 HA MET 67 -12.882 -1.302 4.932 490 HB2 MET 67 1HB MET 67 -13.296 -3.880 3.441 491 HB3 MET 67 2HB MET 67 -14.584 -2.690 3.570 492 HG2 MET 67 1HG MET 67 -11.937 -1.735 2.654 493 HG3 MET 67 2HG MET 67 -12.871 -2.738 1.547 494 HE1 MET 67 3HE MET 67 -15.921 -1.865 2.322 495 HE2 MET 67 1HE MET 67 -16.118 -0.690 1.022 496 HE3 MET 67 2HE MET 67 -15.250 -2.196 0.724 497 H SER 68 H SER 68 -15.134 -1.288 5.634 498 HA SER 68 HA SER 68 -15.674 -3.288 7.729 499 HB2 SER 68 1HB SER 68 -16.855 -1.380 8.941 500 HB3 SER 68 2HB SER 68 -15.094 -1.300 8.896 501 HG SER 68 HG SER 68 -16.782 0.530 8.086 502 H VAL 69 H VAL 69 -17.810 -3.921 8.031 503 HA VAL 69 HA VAL 69 -19.427 -4.171 5.807 504 HB VAL 69 HB VAL 69 -20.306 -4.187 8.698 505 HG11 VAL 69 1HG1 VAL 69 -22.235 -3.973 7.306 506 HG12 VAL 69 2HG1 VAL 69 -21.642 -5.213 6.199 507 HG13 VAL 69 3HG1 VAL 69 -22.138 -5.652 7.834 508 HG21 VAL 69 3HG2 VAL 69 -19.873 -6.507 8.719 509 HG22 VAL 69 1HG2 VAL 69 -19.640 -6.557 6.971 510 HG23 VAL 69 2HG2 VAL 69 -18.445 -5.765 7.999 511 H GLY 70 H GLY 70 -20.728 -2.839 4.730 512 HA2 GLY 70 1HA GLY 70 -22.337 -1.181 4.414 513 HA3 GLY 70 2HA GLY 70 -22.174 -0.734 6.106 514 H GLN 71 H GLN 71 -19.170 -0.985 4.612 515 HA GLN 71 HA GLN 71 -19.027 1.940 4.374 516 HB2 GLN 71 1HB GLN 71 -17.508 0.572 5.970 517 HB3 GLN 71 2HB GLN 71 -16.639 0.125 4.508 518 HG2 GLN 71 1HG GLN 71 -16.914 2.884 4.345 519 HG3 GLN 71 2HG GLN 71 -16.543 2.566 6.038 520 HE21 GLN 71 2HE2 GLN 71 -15.382 2.526 2.798 521 HE22 GLN 71 1HE2 GLN 71 -13.740 2.129 3.160 522 H ARG 72 H ARG 72 -18.280 2.918 2.539 523 HA ARG 72 HA ARG 72 -17.643 1.162 0.262 524 HB2 ARG 72 1HB ARG 72 -19.906 2.004 -0.016 525 HB3 ARG 72 2HB ARG 72 -19.355 3.652 0.248 526 HG2 ARG 72 1HG ARG 72 -18.410 3.820 -1.832 527 HG3 ARG 72 2HG ARG 72 -18.164 2.079 -1.979 528 HD2 ARG 72 1HD ARG 72 -19.937 2.951 -3.473 529 HD3 ARG 72 2HD ARG 72 -20.513 1.724 -2.345 530 HE ARG 72 HE ARG 72 -20.944 4.200 -1.161 531 HH11 ARG 72 1HH1 ARG 72 -22.019 2.432 -3.960 532 HH12 ARG 72 2HH1 ARG 72 -23.575 3.193 -4.005 533 HH21 ARG 72 1HH2 ARG 72 -22.989 5.209 -1.209 534 HH22 ARG 72 2HH2 ARG 72 -24.125 4.773 -2.440 535 H ALA 73 H ALA 73 -15.909 1.713 -0.939 536 HA ALA 73 HA ALA 73 -14.842 4.385 -0.955 537 HB1 ALA 73 1HB ALA 73 -13.163 2.213 0.291 538 HB2 ALA 73 2HB ALA 73 -12.711 3.901 0.050 539 HB3 ALA 73 3HB ALA 73 -13.988 3.485 1.193 540 H LYS 74 H LYS 74 -12.787 4.479 -2.266 541 HA LYS 74 HA LYS 74 -13.077 2.682 -4.549 542 HB2 LYS 74 1HB LYS 74 -11.393 5.178 -4.281 543 HB3 LYS 74 2HB LYS 74 -11.730 4.301 -5.768 544 HG2 LYS 74 1HG LYS 74 -14.149 4.822 -5.435 545 HG3 LYS 74 2HG LYS 74 -13.678 5.857 -4.085 546 HD2 LYS 74 1HD LYS 74 -13.832 7.341 -5.873 547 HD3 LYS 74 2HD LYS 74 -12.104 6.987 -5.788 548 HE2 LYS 74 1HE LYS 74 -12.402 5.290 -7.557 549 HE3 LYS 74 2HE LYS 74 -14.104 5.735 -7.669 550 HZ1 LYS 74 3HZ LYS 74 -13.253 7.037 -9.304 551 HZ2 LYS 74 1HZ LYS 74 -11.737 7.196 -8.569 552 HZ3 LYS 74 2HZ LYS 74 -13.049 8.106 -8.009 553 H LEU 75 H LEU 75 -11.720 1.061 -4.925 554 HA LEU 75 HA LEU 75 -9.269 0.885 -3.330 555 HB2 LEU 75 1HB LEU 75 -11.024 -0.962 -3.406 556 HB3 LEU 75 2HB LEU 75 -10.452 -1.283 -5.041 557 HG LEU 75 HG LEU 75 -8.239 -1.827 -4.174 558 HD11 LEU 75 1HD1 LEU 75 -9.468 -1.223 -1.490 559 HD12 LEU 75 2HD1 LEU 75 -8.123 -0.384 -2.262 560 HD13 LEU 75 3HD1 LEU 75 -7.928 -2.052 -1.722 561 HD21 LEU 75 3HD2 LEU 75 -8.767 -3.939 -3.317 562 HD22 LEU 75 1HD2 LEU 75 -10.170 -3.501 -4.292 563 HD23 LEU 75 2HD2 LEU 75 -10.237 -3.355 -2.536 564 H VAL 76 H VAL 76 -7.800 2.116 -4.439 565 HA VAL 76 HA VAL 76 -7.358 1.525 -7.277 566 HB VAL 76 HB VAL 76 -7.535 3.870 -6.855 567 HG11 VAL 76 1HG1 VAL 76 -7.053 4.671 -4.840 568 HG12 VAL 76 2HG1 VAL 76 -6.165 3.205 -4.419 569 HG13 VAL 76 3HG1 VAL 76 -5.342 4.532 -5.241 570 HG21 VAL 76 3HG2 VAL 76 -5.705 4.553 -8.029 571 HG22 VAL 76 1HG2 VAL 76 -4.579 3.659 -7.007 572 HG23 VAL 76 2HG2 VAL 76 -5.523 2.810 -8.231 573 H CYS 77 H CYS 77 -6.080 -0.216 -7.495 574 HA CYS 77 HA CYS 77 -3.515 -0.200 -6.050 575 HB2 CYS 77 1HB CYS 77 -3.587 -2.626 -5.898 576 HB3 CYS 77 2HB CYS 77 -5.020 -1.940 -5.143 577 HG CYS 77 HG CYS 77 -4.764 -3.963 -7.797 578 H SER 78 H SER 78 -1.788 -1.410 -7.154 579 HA SER 78 HA SER 78 -1.738 -0.729 -9.947 580 HB2 SER 78 1HB SER 78 0.198 -1.415 -7.889 581 HB3 SER 78 2HB SER 78 0.547 -2.236 -9.410 582 HG SER 78 HG SER 78 0.434 0.518 -8.855 583 HA PRO 79 HA PRO 79 -2.625 -4.583 -11.844 584 HB2 PRO 79 1HB PRO 79 -0.668 -4.861 -13.705 585 HB3 PRO 79 2HB PRO 79 -1.972 -3.676 -13.852 586 HG2 PRO 79 1HG PRO 79 0.843 -3.288 -12.910 587 HG3 PRO 79 2HG PRO 79 -0.127 -2.267 -13.988 588 HD2 PRO 79 1HD PRO 79 0.236 -1.687 -11.368 589 HD3 PRO 79 2HD PRO 79 -1.255 -1.276 -12.240 590 H ASP 80 H ASP 80 0.606 -4.195 -10.562 591 HA ASP 80 HA ASP 80 1.499 -6.850 -10.821 592 HB2 ASP 80 1HB ASP 80 2.887 -4.808 -10.226 593 HB3 ASP 80 2HB ASP 80 2.259 -4.967 -8.588 594 H TYR 81 H TYR 81 -0.721 -5.358 -8.635 595 HA TYR 81 HA TYR 81 -0.741 -7.767 -6.947 596 HB2 TYR 81 1HB TYR 81 -1.288 -4.901 -6.435 597 HB3 TYR 81 2HB TYR 81 -2.326 -6.049 -5.597 598 HD1 TYR 81 HD2 TYR 81 1.247 -6.542 -6.450 599 HD2 TYR 81 HD1 TYR 81 -1.587 -5.752 -3.376 600 HE1 TYR 81 HE2 TYR 81 2.998 -6.882 -4.756 601 HE2 TYR 81 HE1 TYR 81 0.157 -6.089 -1.674 602 HH TYR 81 HH TYR 81 2.651 -5.961 -1.544 603 H ALA 82 H ALA 82 -2.099 -7.036 -9.647 604 HA ALA 82 HA ALA 82 -4.628 -8.311 -8.968 605 HB1 ALA 82 1HB ALA 82 -4.585 -5.751 -10.557 606 HB2 ALA 82 2HB ALA 82 -6.001 -6.690 -10.081 607 HB3 ALA 82 3HB ALA 82 -5.039 -5.862 -8.856 608 H TYR 83 H TYR 83 -5.895 -8.124 -11.392 609 HA TYR 83 HA TYR 83 -4.169 -9.795 -13.044 610 HB2 TYR 83 1HB TYR 83 -6.372 -10.108 -14.341 611 HB3 TYR 83 2HB TYR 83 -6.264 -10.804 -12.729 612 HD1 TYR 83 HD2 TYR 83 -7.197 -7.494 -14.212 613 HD2 TYR 83 HD1 TYR 83 -8.169 -10.591 -11.461 614 HE1 TYR 83 HE2 TYR 83 -9.223 -6.265 -13.553 615 HE2 TYR 83 HE1 TYR 83 -10.199 -9.371 -10.795 616 HH TYR 83 HH TYR 83 -11.543 -6.959 -12.526 617 H GLY 84 H GLY 84 -4.176 -6.717 -12.812 618 HA2 GLY 84 1HA GLY 84 -5.011 -5.677 -15.307 619 HA3 GLY 84 2HA GLY 84 -3.869 -4.918 -14.207 620 H SER 85 H SER 85 -2.188 -7.434 -14.356 621 HA SER 85 HA SER 85 -0.268 -6.594 -16.130 622 HB2 SER 85 1HB SER 85 -0.920 -9.292 -14.986 623 HB3 SER 85 2HB SER 85 0.382 -9.126 -16.164 624 HG SER 85 HG SER 85 0.338 -7.334 -14.029 625 H ARG 86 H ARG 86 -2.212 -9.506 -16.782 626 HA ARG 86 HA ARG 86 -1.697 -9.429 -19.567 627 HB2 ARG 86 1HB ARG 86 -3.473 -11.187 -19.689 628 HB3 ARG 86 2HB ARG 86 -2.190 -11.536 -18.537 629 HG2 ARG 86 1HG ARG 86 -3.871 -12.013 -17.145 630 HG3 ARG 86 2HG ARG 86 -3.987 -10.262 -16.953 631 HD2 ARG 86 1HD ARG 86 -6.097 -10.443 -17.644 632 HD3 ARG 86 2HD ARG 86 -5.444 -10.781 -19.247 633 HE ARG 86 HE ARG 86 -6.182 -12.923 -19.022 634 HH11 ARG 86 1HH1 ARG 86 -5.857 -11.529 -15.848 635 HH12 ARG 86 2HH1 ARG 86 -6.517 -12.908 -15.033 636 HH21 ARG 86 1HH2 ARG 86 -7.052 -14.745 -17.960 637 HH22 ARG 86 2HH2 ARG 86 -7.195 -14.737 -16.235 638 H GLY 87 H GLY 87 -4.537 -8.549 -17.620 639 HA2 GLY 87 1HA GLY 87 -6.395 -7.298 -18.127 640 HA3 GLY 87 2HA GLY 87 -5.314 -6.385 -19.169 641 H HIS 88 H HIS 88 -7.368 -6.161 -20.408 642 HA HIS 88 HA HIS 88 -7.401 -8.138 -22.525 643 HB2 HIS 88 1HB HIS 88 -9.625 -7.801 -20.584 644 HB3 HIS 88 2HB HIS 88 -10.066 -7.973 -22.280 645 HD1 HIS 88 HD1 HIS 88 -8.276 -10.116 -23.292 646 HD2 HIS 88 HD2 HIS 88 -9.923 -10.243 -19.480 647 HE1 HIS 88 HE1 HIS 88 -8.241 -12.541 -22.625 648 HA PRO 89 HA PRO 89 -8.171 -4.633 -25.050 649 HB2 PRO 89 1HB PRO 89 -9.606 -5.726 -27.079 650 HB3 PRO 89 2HB PRO 89 -7.875 -6.014 -26.862 651 HG2 PRO 89 1HG PRO 89 -10.194 -7.742 -26.089 652 HG3 PRO 89 2HG PRO 89 -8.656 -8.204 -26.842 653 HD2 PRO 89 1HD PRO 89 -9.137 -8.524 -24.196 654 HD3 PRO 89 2HD PRO 89 -7.520 -8.169 -24.837 655 H GLY 90 H GLY 90 -9.496 -3.053 -24.394 656 HA2 GLY 90 1HA GLY 90 -11.464 -1.830 -24.317 657 HA3 GLY 90 2HA GLY 90 -12.316 -3.221 -24.971 658 H VAL 91 H VAL 91 -10.444 -4.105 -22.330 659 HA VAL 91 HA VAL 91 -12.686 -3.712 -20.463 660 HB VAL 91 HB VAL 91 -11.044 -6.239 -20.673 661 HG11 VAL 91 1HG1 VAL 91 -13.550 -6.399 -19.237 662 HG12 VAL 91 2HG1 VAL 91 -11.927 -6.867 -18.727 663 HG13 VAL 91 3HG1 VAL 91 -12.469 -5.200 -18.527 664 HG21 VAL 91 3HG2 VAL 91 -12.504 -6.053 -22.594 665 HG22 VAL 91 1HG2 VAL 91 -13.130 -7.277 -21.489 666 HG23 VAL 91 2HG2 VAL 91 -13.877 -5.680 -21.551 667 H ILE 92 H ILE 92 -9.319 -4.895 -20.551 668 HA ILE 92 HA ILE 92 -8.722 -3.106 -18.296 669 HB ILE 92 HB ILE 92 -7.817 -5.977 -18.541 670 HG12 ILE 92 1HG1 ILE 92 -9.537 -4.640 -16.441 671 HG13 ILE 92 2HG1 ILE 92 -10.154 -5.644 -17.748 672 HG21 ILE 92 1HG2 ILE 92 -7.187 -3.989 -16.366 673 HG22 ILE 92 2HG2 ILE 92 -6.601 -5.647 -16.497 674 HG23 ILE 92 3HG2 ILE 92 -6.080 -4.433 -17.665 675 HD11 ILE 92 3HD1 ILE 92 -9.934 -6.769 -15.524 676 HD12 ILE 92 1HD1 ILE 92 -9.120 -7.579 -16.863 677 HD13 ILE 92 2HD1 ILE 92 -8.185 -6.630 -15.707 678 HA PRO 93 HA PRO 93 -5.399 -1.847 -20.926 679 HB2 PRO 93 1HB PRO 93 -3.997 -0.439 -19.077 680 HB3 PRO 93 2HB PRO 93 -5.491 0.158 -19.808 681 HG2 PRO 93 1HG PRO 93 -5.077 -1.155 -17.150 682 HG3 PRO 93 2HG PRO 93 -6.075 0.253 -17.560 683 HD2 PRO 93 1HD PRO 93 -7.116 -2.224 -17.224 684 HD3 PRO 93 2HD PRO 93 -7.800 -1.048 -18.363 685 HA PRO 94 HA PRO 94 -2.066 -4.650 -20.297 686 HB2 PRO 94 1HB PRO 94 -0.016 -3.283 -21.437 687 HB3 PRO 94 2HB PRO 94 -1.312 -4.031 -22.377 688 HG2 PRO 94 1HG PRO 94 -0.978 -1.173 -21.550 689 HG3 PRO 94 2HG PRO 94 -1.493 -1.832 -23.113 690 HD2 PRO 94 1HD PRO 94 -3.246 -0.854 -21.296 691 HD3 PRO 94 2HD PRO 94 -3.654 -2.189 -22.393 692 H ASN 95 H ASN 95 -1.664 -4.805 -18.119 693 HA ASN 95 HA ASN 95 -0.728 -4.401 -16.076 694 HB2 ASN 95 1HB ASN 95 1.652 -3.218 -17.449 695 HB3 ASN 95 2HB ASN 95 1.588 -4.357 -16.108 696 HD21 ASN 95 2HD2 ASN 95 1.294 -3.984 -19.566 697 HD22 ASN 95 1HD2 ASN 95 1.530 -5.649 -19.961 698 H ALA 96 H ALA 96 -2.463 -2.537 -16.238 699 HA ALA 96 HA ALA 96 -1.062 -0.053 -15.508 700 HB1 ALA 96 1HB ALA 96 -2.289 1.229 -16.884 701 HB2 ALA 96 2HB ALA 96 -2.547 -0.276 -17.767 702 HB3 ALA 96 3HB ALA 96 -3.758 0.290 -16.616 703 H THR 97 H THR 97 -1.729 0.931 -13.671 704 HA THR 97 HA THR 97 -3.108 -0.473 -11.717 705 HB THR 97 HB THR 97 -1.590 1.560 -11.415 706 HG1 THR 97 HG1 THR 97 -4.023 1.169 -10.010 707 HG21 THR 97 3HG2 THR 97 -4.199 3.034 -11.784 708 HG22 THR 97 1HG2 THR 97 -2.869 3.044 -12.941 709 HG23 THR 97 2HG2 THR 97 -2.645 3.734 -11.333 710 H LEU 98 H LEU 98 -5.184 -0.324 -10.847 711 HA LEU 98 HA LEU 98 -7.180 1.148 -12.416 712 HB2 LEU 98 1HB LEU 98 -7.359 -1.748 -11.602 713 HB3 LEU 98 2HB LEU 98 -8.698 -0.807 -12.256 714 HG LEU 98 HG LEU 98 -6.136 -1.329 -13.755 715 HD11 LEU 98 1HD1 LEU 98 -8.565 -2.712 -14.618 716 HD12 LEU 98 2HD1 LEU 98 -7.925 -3.266 -13.072 717 HD13 LEU 98 3HD1 LEU 98 -6.903 -3.291 -14.509 718 HD21 LEU 98 3HD2 LEU 98 -8.392 0.368 -14.196 719 HD22 LEU 98 1HD2 LEU 98 -8.358 -0.890 -15.432 720 HD23 LEU 98 2HD2 LEU 98 -6.953 0.149 -15.194 721 H THR 99 H THR 99 -9.222 1.457 -11.284 722 HA THR 99 HA THR 99 -8.954 1.281 -8.355 723 HB THR 99 HB THR 99 -10.313 3.580 -9.757 724 HG1 THR 99 HG1 THR 99 -8.206 3.863 -10.309 725 HG21 THR 99 3HG2 THR 99 -9.663 4.602 -7.440 726 HG22 THR 99 1HG2 THR 99 -9.570 2.914 -6.938 727 HG23 THR 99 2HG2 THR 99 -11.081 3.562 -7.576 728 H PHE 100 H PHE 100 -10.349 -0.334 -7.902 729 HA PHE 100 HA PHE 100 -13.018 -0.271 -9.117 730 HB2 PHE 100 1HB PHE 100 -11.606 -2.461 -7.580 731 HB3 PHE 100 2HB PHE 100 -13.235 -2.584 -8.238 732 HD1 PHE 100 HD1 PHE 100 -9.666 -2.345 -9.082 733 HD2 PHE 100 HD2 PHE 100 -13.608 -2.982 -10.555 734 HE1 PHE 100 HE1 PHE 100 -8.737 -3.133 -11.220 735 HE2 PHE 100 HE2 PHE 100 -12.685 -3.771 -12.694 736 HZ PHE 100 HZ PHE 100 -10.247 -3.849 -13.029 737 H ASP 101 H ASP 101 -14.641 0.555 -7.995 738 HA ASP 101 HA ASP 101 -14.373 1.379 -5.293 739 HB2 ASP 101 1HB ASP 101 -16.022 2.080 -7.347 740 HB3 ASP 101 2HB ASP 101 -17.112 1.118 -6.352 741 H VAL 102 H VAL 102 -14.352 0.046 -3.615 742 HA VAL 102 HA VAL 102 -15.984 -2.398 -3.713 743 HB VAL 102 HB VAL 102 -13.719 -1.754 -1.821 744 HG11 VAL 102 1HG1 VAL 102 -15.433 -3.379 -1.025 745 HG12 VAL 102 2HG1 VAL 102 -15.037 -4.400 -2.410 746 HG13 VAL 102 3HG1 VAL 102 -13.814 -4.060 -1.185 747 HG21 VAL 102 3HG2 VAL 102 -13.748 -3.368 -4.367 748 HG22 VAL 102 1HG2 VAL 102 -12.816 -1.908 -4.035 749 HG23 VAL 102 2HG2 VAL 102 -12.441 -3.407 -3.184 750 H GLU 103 H GLU 103 -17.688 -2.630 -2.411 751 HA GLU 103 HA GLU 103 -17.938 -0.848 -0.085 752 HB2 GLU 103 1HB GLU 103 -19.356 0.101 -1.776 753 HB3 GLU 103 2HB GLU 103 -20.048 -1.471 -2.152 754 HG2 GLU 103 1HG GLU 103 -21.026 -1.538 0.116 755 HG3 GLU 103 2HG GLU 103 -20.412 0.091 0.394 756 H LEU 104 H LEU 104 -17.921 -2.095 1.660 757 HA LEU 104 HA LEU 104 -18.482 -4.860 1.654 758 HB2 LEU 104 1HB LEU 104 -17.160 -3.280 3.325 759 HB3 LEU 104 2HB LEU 104 -18.706 -3.300 4.172 760 HG LEU 104 HG LEU 104 -17.390 -4.970 5.183 761 HD11 LEU 104 1HD1 LEU 104 -18.713 -6.863 4.945 762 HD12 LEU 104 2HD1 LEU 104 -18.957 -6.599 3.219 763 HD13 LEU 104 3HD1 LEU 104 -19.769 -5.563 4.392 764 HD21 LEU 104 3HD2 LEU 104 -15.659 -5.864 4.123 765 HD22 LEU 104 1HD2 LEU 104 -16.224 -5.192 2.593 766 HD23 LEU 104 2HD2 LEU 104 -16.768 -6.788 3.108 767 H LEU 105 H LEU 105 -20.313 -5.976 1.950 768 HA LEU 105 HA LEU 105 -22.749 -4.453 2.600 769 HB2 LEU 105 1HB LEU 105 -22.128 -6.377 0.523 770 HB3 LEU 105 2HB LEU 105 -23.544 -6.854 1.458 771 HG LEU 105 HG LEU 105 -24.473 -4.546 0.973 772 HD11 LEU 105 1HD1 LEU 105 -22.126 -4.551 -0.909 773 HD12 LEU 105 2HD1 LEU 105 -22.526 -3.357 0.326 774 HD13 LEU 105 3HD1 LEU 105 -23.535 -3.509 -1.112 775 HD21 LEU 105 3HD2 LEU 105 -24.035 -6.669 -1.091 776 HD22 LEU 105 1HD2 LEU 105 -24.946 -5.211 -1.481 777 HD23 LEU 105 2HD2 LEU 105 -25.497 -6.274 -0.186 778 H ARG 106 H ARG 106 -21.187 -7.623 2.966 779 HA ARG 106 HA ARG 106 -22.249 -7.832 5.656 780 HB2 ARG 106 1HB ARG 106 -22.935 -9.829 3.496 781 HB3 ARG 106 2HB ARG 106 -23.129 -10.144 5.215 782 HG2 ARG 106 1HG ARG 106 -24.743 -8.364 5.405 783 HG3 ARG 106 2HG ARG 106 -24.484 -7.911 3.719 784 HD2 ARG 106 1HD ARG 106 -25.342 -10.068 2.990 785 HD3 ARG 106 2HD ARG 106 -25.549 -10.568 4.668 786 HE ARG 106 HE ARG 106 -26.981 -8.199 4.269 787 HH11 ARG 106 1HH1 ARG 106 -27.039 -11.535 3.276 788 HH12 ARG 106 2HH1 ARG 106 -28.757 -11.575 3.053 789 HH21 ARG 106 1HH2 ARG 106 -29.244 -8.238 3.979 790 HH22 ARG 106 2HH2 ARG 106 -30.010 -9.698 3.453 791 H VAL 107 H VAL 107 -21.371 -9.786 6.785 792 HA VAL 107 HA VAL 107 -18.791 -10.636 5.650 793 HB VAL 107 HB VAL 107 -18.297 -8.926 7.290 794 HG11 VAL 107 1HG1 VAL 107 -19.981 -10.591 9.154 795 HG12 VAL 107 2HG1 VAL 107 -18.924 -9.280 9.680 796 HG13 VAL 107 3HG1 VAL 107 -20.289 -8.940 8.616 797 HG21 VAL 107 3HG2 VAL 107 -16.691 -10.084 8.524 798 HG22 VAL 107 1HG2 VAL 107 -17.706 -11.518 8.677 799 HG23 VAL 107 2HG2 VAL 107 -16.966 -11.123 7.126 800 H GLU 108 H GLU 108 -18.208 -12.735 6.001 801 HA GLU 108 HA GLU 108 -19.831 -14.369 7.803 802 HB2 GLU 108 1HB GLU 108 -19.314 -15.211 4.951 803 HB3 GLU 108 2HB GLU 108 -20.314 -16.028 6.143 804 HG2 GLU 108 1HG GLU 108 -20.906 -13.282 5.076 805 HG3 GLU 108 2HG GLU 108 -21.562 -14.766 4.387 Start of MODEL 20 1 H1 MET 1 H MET 1 2.552 -1.654 0.874 2 HA MET 1 HA MET 1 1.355 0.490 -0.642 3 HB2 MET 1 1HB MET 1 4.000 -0.938 -0.761 4 HB3 MET 1 2HB MET 1 3.520 0.202 -2.010 5 HG2 MET 1 1HG MET 1 3.648 2.011 -0.605 6 HG3 MET 1 2HG MET 1 3.395 1.039 0.843 7 HE1 MET 1 3HE MET 1 5.099 3.275 0.668 8 HE2 MET 1 1HE MET 1 6.148 2.573 1.900 9 HE3 MET 1 2HE MET 1 6.827 3.096 0.358 10 H GLY 2 H GLY 2 1.253 0.421 -3.026 11 HA2 GLY 2 1HA GLY 2 1.036 -0.787 -5.064 12 HA3 GLY 2 2HA GLY 2 0.844 -2.265 -4.134 13 H VAL 3 H VAL 3 -1.069 -0.593 -2.371 14 HA VAL 3 HA VAL 3 -3.352 -0.385 -4.183 15 HB VAL 3 HB VAL 3 -3.502 -2.675 -3.437 16 HG11 VAL 3 1HG1 VAL 3 -2.362 -1.697 -1.074 17 HG12 VAL 3 2HG1 VAL 3 -3.963 -2.290 -0.627 18 HG13 VAL 3 3HG1 VAL 3 -2.819 -3.361 -1.437 19 HG21 VAL 3 3HG2 VAL 3 -5.511 -1.395 -1.665 20 HG22 VAL 3 1HG2 VAL 3 -5.519 -0.954 -3.373 21 HG23 VAL 3 2HG2 VAL 3 -5.717 -2.641 -2.897 22 H GLN 4 H GLN 4 -4.561 1.336 -3.718 23 HA GLN 4 HA GLN 4 -4.297 2.533 -1.038 24 HB2 GLN 4 1HB GLN 4 -4.060 3.681 -3.715 25 HB3 GLN 4 2HB GLN 4 -5.181 4.565 -2.687 26 HG2 GLN 4 1HG GLN 4 -3.173 5.626 -2.291 27 HG3 GLN 4 2HG GLN 4 -3.288 4.496 -0.943 28 HE21 GLN 4 2HE2 GLN 4 -1.853 2.824 -0.787 29 HE22 GLN 4 1HE2 GLN 4 -0.471 2.661 -1.811 30 H VAL 5 H VAL 5 -6.128 3.290 -0.013 31 HA VAL 5 HA VAL 5 -8.689 2.554 -1.276 32 HB VAL 5 HB VAL 5 -8.253 1.088 0.594 33 HG11 VAL 5 1HG1 VAL 5 -7.139 1.733 2.402 34 HG12 VAL 5 2HG1 VAL 5 -7.036 3.359 1.723 35 HG13 VAL 5 3HG1 VAL 5 -8.378 2.928 2.784 36 HG21 VAL 5 3HG2 VAL 5 -10.553 2.336 0.191 37 HG22 VAL 5 1HG2 VAL 5 -10.322 1.233 1.548 38 HG23 VAL 5 2HG2 VAL 5 -10.209 2.975 1.798 39 H VAL 6 H VAL 6 -9.992 4.201 -1.695 40 HA VAL 6 HA VAL 6 -9.597 6.723 -0.232 41 HB VAL 6 HB VAL 6 -11.012 6.333 -2.871 42 HG11 VAL 6 1HG1 VAL 6 -9.942 8.955 -2.368 43 HG12 VAL 6 2HG1 VAL 6 -11.601 8.472 -2.728 44 HG13 VAL 6 3HG1 VAL 6 -11.021 8.467 -1.061 45 HG21 VAL 6 3HG2 VAL 6 -8.879 7.558 -3.696 46 HG22 VAL 6 1HG2 VAL 6 -8.154 6.926 -2.217 47 HG23 VAL 6 2HG2 VAL 6 -8.819 5.818 -3.417 48 H THR 7 H THR 7 -10.905 6.424 1.537 49 HA THR 7 HA THR 7 -13.377 5.224 1.683 50 HB THR 7 HB THR 7 -12.770 7.735 3.230 51 HG1 THR 7 HG1 THR 7 -11.893 5.189 4.077 52 HG21 THR 7 3HG2 THR 7 -14.842 5.867 3.323 53 HG22 THR 7 1HG2 THR 7 -14.465 7.093 4.533 54 HG23 THR 7 2HG2 THR 7 -13.803 5.465 4.690 55 H LEU 8 H LEU 8 -15.294 5.631 0.811 56 HA LEU 8 HA LEU 8 -15.791 8.307 -0.301 57 HB2 LEU 8 1HB LEU 8 -17.032 5.643 -0.969 58 HB3 LEU 8 2HB LEU 8 -17.514 7.181 -1.681 59 HG LEU 8 HG LEU 8 -14.676 6.283 -1.925 60 HD11 LEU 8 1HD1 LEU 8 -16.475 5.504 -4.115 61 HD12 LEU 8 2HD1 LEU 8 -16.616 4.544 -2.643 62 HD13 LEU 8 3HD1 LEU 8 -15.058 4.685 -3.457 63 HD21 LEU 8 3HD2 LEU 8 -15.782 7.398 -4.279 64 HD22 LEU 8 1HD2 LEU 8 -14.587 8.102 -3.189 65 HD23 LEU 8 2HD2 LEU 8 -16.306 8.394 -2.920 66 H ALA 9 H ALA 9 -17.469 5.644 1.365 67 HA ALA 9 HA ALA 9 -19.047 7.635 2.822 68 HB1 ALA 9 1HB ALA 9 -20.227 6.590 0.726 69 HB2 ALA 9 2HB ALA 9 -20.475 5.223 1.813 70 HB3 ALA 9 3HB ALA 9 -21.107 6.813 2.239 71 H ALA 10 H ALA 10 -18.694 7.259 4.903 72 HA ALA 10 HA ALA 10 -17.600 4.875 5.931 73 HB1 ALA 10 1HB ALA 10 -17.588 5.916 7.982 74 HB2 ALA 10 2HB ALA 10 -17.630 7.303 6.892 75 HB3 ALA 10 3HB ALA 10 -19.109 6.759 7.684 76 H GLY 11 H GLY 11 -18.497 3.173 7.058 77 HA2 GLY 11 1HA GLY 11 -21.446 2.994 6.945 78 HA3 GLY 11 2HA GLY 11 -20.387 1.626 6.633 79 H ASP 12 H ASP 12 -20.505 0.217 8.239 80 HA ASP 12 HA ASP 12 -21.357 0.913 10.863 81 HB2 ASP 12 1HB ASP 12 -21.630 -1.337 9.666 82 HB3 ASP 12 2HB ASP 12 -19.957 -1.650 10.120 83 H GLU 13 H GLU 13 -18.266 0.633 9.312 84 HA GLU 13 HA GLU 13 -16.112 0.684 10.122 85 HB2 GLU 13 1HB GLU 13 -15.646 2.717 11.374 86 HB3 GLU 13 2HB GLU 13 -16.814 3.043 10.101 87 HG2 GLU 13 1HG GLU 13 -18.577 3.263 11.607 88 HG3 GLU 13 2HG GLU 13 -17.697 2.448 12.898 89 H ALA 14 H ALA 14 -17.545 -1.331 11.410 90 HA ALA 14 HA ALA 14 -16.086 -1.452 13.924 91 HB1 ALA 14 1HB ALA 14 -18.831 -2.394 14.268 92 HB2 ALA 14 2HB ALA 14 -17.821 -1.421 15.338 93 HB3 ALA 14 3HB ALA 14 -18.699 -0.653 14.016 94 H THR 15 H THR 15 -18.262 -3.065 11.647 95 HA THR 15 HA THR 15 -17.223 -5.674 12.465 96 HB THR 15 HB THR 15 -19.359 -5.156 10.398 97 HG1 THR 15 HG1 THR 15 -19.918 -5.852 13.077 98 HG21 THR 15 3HG2 THR 15 -18.213 -7.527 11.731 99 HG22 THR 15 1HG2 THR 15 -18.958 -7.370 10.141 100 HG23 THR 15 2HG2 THR 15 -19.969 -7.504 11.579 101 H TYR 16 H TYR 16 -15.347 -6.188 11.528 102 HA TYR 16 HA TYR 16 -15.027 -5.630 8.652 103 HB2 TYR 16 1HB TYR 16 -12.909 -5.966 10.786 104 HB3 TYR 16 2HB TYR 16 -12.582 -5.745 9.071 105 HD1 TYR 16 HD1 TYR 16 -14.200 -4.105 11.993 106 HD2 TYR 16 HD2 TYR 16 -12.398 -3.595 8.172 107 HE1 TYR 16 HE1 TYR 16 -14.241 -1.666 12.306 108 HE2 TYR 16 HE2 TYR 16 -12.433 -1.154 8.476 109 HH TYR 16 HH TYR 16 -12.814 0.339 11.333 110 HA PRO 17 HA PRO 17 -14.828 -9.927 7.780 111 HB2 PRO 17 1HB PRO 17 -13.060 -9.962 5.720 112 HB3 PRO 17 2HB PRO 17 -14.709 -9.347 5.560 113 HG2 PRO 17 1HG PRO 17 -12.155 -7.838 5.955 114 HG3 PRO 17 2HG PRO 17 -13.511 -7.478 4.871 115 HD2 PRO 17 1HD PRO 17 -13.168 -6.218 7.243 116 HD3 PRO 17 2HD PRO 17 -14.773 -6.540 6.556 117 H LYS 18 H LYS 18 -13.885 -11.381 9.058 118 HA LYS 18 HA LYS 18 -11.253 -11.052 10.109 119 HB2 LYS 18 1HB LYS 18 -13.249 -12.234 11.202 120 HB3 LYS 18 2HB LYS 18 -12.852 -13.604 10.174 121 HG2 LYS 18 1HG LYS 18 -10.642 -13.740 11.178 122 HG3 LYS 18 2HG LYS 18 -11.001 -12.334 12.183 123 HD2 LYS 18 1HD LYS 18 -12.878 -13.596 13.196 124 HD3 LYS 18 2HD LYS 18 -12.396 -15.009 12.255 125 HE2 LYS 18 1HE LYS 18 -10.804 -13.599 14.390 126 HE3 LYS 18 2HE LYS 18 -11.491 -15.220 14.466 127 HZ1 LYS 18 3HZ LYS 18 -9.233 -14.284 12.794 128 HZ2 LYS 18 1HZ LYS 18 -10.014 -15.760 12.525 129 HZ3 LYS 18 2HZ LYS 18 -9.216 -15.480 13.990 130 H ALA 19 H ALA 19 -9.374 -12.130 9.623 131 HA ALA 19 HA ALA 19 -8.892 -12.856 6.973 132 HB1 ALA 19 1HB ALA 19 -6.746 -12.948 7.605 133 HB2 ALA 19 2HB ALA 19 -7.335 -12.363 9.161 134 HB3 ALA 19 3HB ALA 19 -7.079 -14.089 8.908 135 H GLY 20 H GLY 20 -9.730 -14.538 5.927 136 HA2 GLY 20 1HA GLY 20 -9.638 -16.906 5.512 137 HA3 GLY 20 2HA GLY 20 -9.652 -17.168 7.250 138 H GLN 21 H GLN 21 -11.832 -14.782 6.703 139 HA GLN 21 HA GLN 21 -14.049 -16.702 6.717 140 HB2 GLN 21 1HB GLN 21 -13.719 -13.910 7.758 141 HB3 GLN 21 2HB GLN 21 -15.327 -14.548 7.442 142 HG2 GLN 21 1HG GLN 21 -14.553 -16.538 8.905 143 HG3 GLN 21 2HG GLN 21 -13.314 -15.418 9.466 144 HE21 GLN 21 2HE2 GLN 21 -14.717 -13.056 9.483 145 HE22 GLN 21 1HE2 GLN 21 -15.961 -13.134 10.679 146 H VAL 22 H VAL 22 -15.966 -16.258 5.490 147 HA VAL 22 HA VAL 22 -15.350 -15.161 2.878 148 HB VAL 22 HB VAL 22 -17.914 -16.439 3.834 149 HG11 VAL 22 1HG1 VAL 22 -17.612 -16.866 1.115 150 HG12 VAL 22 2HG1 VAL 22 -18.699 -15.705 1.880 151 HG13 VAL 22 3HG1 VAL 22 -17.097 -15.196 1.345 152 HG21 VAL 22 3HG2 VAL 22 -16.928 -18.378 2.406 153 HG22 VAL 22 1HG2 VAL 22 -15.384 -17.591 2.736 154 HG23 VAL 22 2HG2 VAL 22 -16.387 -18.160 4.071 155 H ALA 23 H ALA 23 -15.707 -13.108 2.390 156 HA ALA 23 HA ALA 23 -17.880 -11.683 3.785 157 HB1 ALA 23 1HB ALA 23 -16.621 -9.747 3.866 158 HB2 ALA 23 2HB ALA 23 -15.403 -10.993 4.141 159 HB3 ALA 23 3HB ALA 23 -15.564 -10.254 2.548 160 H VAL 24 H VAL 24 -19.165 -10.246 2.591 161 HA VAL 24 HA VAL 24 -19.027 -10.619 -0.331 162 HB VAL 24 HB VAL 24 -21.539 -10.044 1.236 163 HG11 VAL 24 1HG1 VAL 24 -21.924 -9.416 -0.964 164 HG12 VAL 24 2HG1 VAL 24 -20.918 -10.711 -1.616 165 HG13 VAL 24 3HG1 VAL 24 -22.499 -11.083 -0.929 166 HG21 VAL 24 3HG2 VAL 24 -21.372 -12.148 1.990 167 HG22 VAL 24 1HG2 VAL 24 -21.787 -12.617 0.341 168 HG23 VAL 24 2HG2 VAL 24 -20.097 -12.558 0.842 169 H VAL 25 H VAL 25 -18.777 -8.847 -1.524 170 HA VAL 25 HA VAL 25 -19.721 -6.268 -0.531 171 HB VAL 25 HB VAL 25 -17.688 -5.129 -0.728 172 HG11 VAL 25 1HG1 VAL 25 -16.735 -7.761 0.361 173 HG12 VAL 25 2HG1 VAL 25 -16.286 -6.132 0.867 174 HG13 VAL 25 3HG1 VAL 25 -17.897 -6.755 1.225 175 HG21 VAL 25 3HG2 VAL 25 -16.751 -5.788 -2.739 176 HG22 VAL 25 1HG2 VAL 25 -15.612 -6.448 -1.566 177 HG23 VAL 25 2HG2 VAL 25 -16.807 -7.501 -2.323 178 H HIS 26 H HIS 26 -19.352 -4.537 -2.273 179 HA HIS 26 HA HIS 26 -19.974 -5.736 -4.890 180 HB2 HIS 26 1HB HIS 26 -21.081 -3.436 -3.403 181 HB3 HIS 26 2HB HIS 26 -20.842 -3.175 -5.129 182 HD1 HIS 26 HD1 HIS 26 -21.642 -5.972 -6.162 183 HD2 HIS 26 HD2 HIS 26 -23.779 -3.818 -3.324 184 HE1 HIS 26 HE1 HIS 26 -23.990 -6.869 -6.265 185 H TYR 27 H TYR 27 -18.631 -5.382 -6.533 186 HA TYR 27 HA TYR 27 -16.545 -3.333 -6.196 187 HB2 TYR 27 1HB TYR 27 -15.113 -4.666 -7.580 188 HB3 TYR 27 2HB TYR 27 -15.812 -5.732 -6.366 189 HD1 TYR 27 HD2 TYR 27 -15.869 -4.788 -9.925 190 HD2 TYR 27 HD1 TYR 27 -17.279 -7.524 -6.987 191 HE1 TYR 27 HE2 TYR 27 -16.669 -6.282 -11.708 192 HE2 TYR 27 HE1 TYR 27 -18.082 -9.026 -8.762 193 HH TYR 27 HH TYR 27 -18.251 -9.371 -10.944 194 H THR 28 H THR 28 -16.263 -1.780 -7.704 195 HA THR 28 HA THR 28 -17.882 -1.926 -10.158 196 HB THR 28 HB THR 28 -17.560 0.511 -8.395 197 HG1 THR 28 HG1 THR 28 -19.184 -1.337 -7.984 198 HG21 THR 28 3HG2 THR 28 -19.490 1.101 -10.237 199 HG22 THR 28 1HG2 THR 28 -18.338 0.179 -11.202 200 HG23 THR 28 2HG2 THR 28 -17.808 1.621 -10.336 201 H GLY 29 H GLY 29 -16.788 -1.504 -11.973 202 HA2 GLY 29 1HA GLY 29 -13.994 -1.085 -11.942 203 HA3 GLY 29 2HA GLY 29 -15.028 -1.006 -13.361 204 H THR 30 H THR 30 -12.734 0.678 -12.370 205 HA THR 30 HA THR 30 -13.791 3.193 -13.199 206 HB THR 30 HB THR 30 -12.622 3.791 -10.637 207 HG1 THR 30 HG1 THR 30 -13.977 2.734 -9.291 208 HG21 THR 30 3HG2 THR 30 -15.484 4.224 -11.440 209 HG22 THR 30 1HG2 THR 30 -14.174 5.146 -12.177 210 HG23 THR 30 2HG2 THR 30 -14.450 5.242 -10.438 211 H LEU 31 H LEU 31 -12.204 4.505 -13.960 212 HA LEU 31 HA LEU 31 -9.469 3.478 -13.779 213 HB2 LEU 31 1HB LEU 31 -10.897 5.281 -15.696 214 HB3 LEU 31 2HB LEU 31 -9.136 5.257 -15.628 215 HG LEU 31 HG LEU 31 -10.917 2.910 -16.283 216 HD11 LEU 31 1HD1 LEU 31 -8.973 4.273 -18.115 217 HD12 LEU 31 2HD1 LEU 31 -10.648 4.807 -17.980 218 HD13 LEU 31 3HD1 LEU 31 -10.287 3.166 -18.516 219 HD21 LEU 31 3HD2 LEU 31 -9.139 1.775 -15.485 220 HD22 LEU 31 1HD2 LEU 31 -8.053 3.157 -15.632 221 HD23 LEU 31 2HD2 LEU 31 -8.440 2.185 -17.052 222 H ALA 32 H ALA 32 -7.687 4.997 -13.538 223 HA ALA 32 HA ALA 32 -7.938 6.632 -11.287 224 HB1 ALA 32 1HB ALA 32 -5.807 6.573 -13.417 225 HB2 ALA 32 2HB ALA 32 -5.676 7.473 -11.905 226 HB3 ALA 32 3HB ALA 32 -5.807 5.714 -11.876 227 H ASP 33 H ASP 33 -8.569 7.284 -14.609 228 HA ASP 33 HA ASP 33 -8.389 10.158 -14.340 229 HB2 ASP 33 1HB ASP 33 -9.366 8.383 -16.584 230 HB3 ASP 33 2HB ASP 33 -9.327 10.142 -16.673 231 H GLY 34 H GLY 34 -10.687 7.763 -13.667 232 HA2 GLY 34 1HA GLY 34 -12.638 8.456 -12.384 233 HA3 GLY 34 2HA GLY 34 -12.783 9.833 -13.467 234 H LYS 35 H LYS 35 -12.042 7.757 -15.667 235 HA LYS 35 HA LYS 35 -14.551 7.437 -16.767 236 HB2 LYS 35 1HB LYS 35 -12.112 6.981 -17.695 237 HB3 LYS 35 2HB LYS 35 -12.504 5.321 -17.268 238 HG2 LYS 35 1HG LYS 35 -13.095 5.526 -19.519 239 HG3 LYS 35 2HG LYS 35 -14.622 5.633 -18.639 240 HD2 LYS 35 1HD LYS 35 -14.721 7.349 -20.243 241 HD3 LYS 35 2HD LYS 35 -14.309 8.161 -18.731 242 HE2 LYS 35 1HE LYS 35 -12.876 9.092 -20.345 243 HE3 LYS 35 2HE LYS 35 -11.882 7.941 -19.453 244 HZ1 LYS 35 3HZ LYS 35 -11.723 6.560 -21.226 245 HZ2 LYS 35 1HZ LYS 35 -11.928 8.010 -22.075 246 HZ3 LYS 35 2HZ LYS 35 -13.243 6.970 -21.848 247 H VAL 36 H VAL 36 -16.260 6.382 -16.020 248 HA VAL 36 HA VAL 36 -16.049 4.319 -14.046 249 HB VAL 36 HB VAL 36 -17.947 5.980 -14.223 250 HG11 VAL 36 1HG1 VAL 36 -18.871 4.115 -16.407 251 HG12 VAL 36 2HG1 VAL 36 -19.778 5.471 -15.733 252 HG13 VAL 36 3HG1 VAL 36 -18.298 5.765 -16.647 253 HG21 VAL 36 3HG2 VAL 36 -19.392 3.465 -14.199 254 HG22 VAL 36 1HG2 VAL 36 -17.883 3.373 -13.291 255 HG23 VAL 36 2HG2 VAL 36 -19.083 4.601 -12.886 256 H PHE 37 H PHE 37 -16.369 2.143 -14.245 257 HA PHE 37 HA PHE 37 -16.637 1.097 -16.987 258 HB2 PHE 37 1HB PHE 37 -14.681 0.478 -14.855 259 HB3 PHE 37 2HB PHE 37 -15.324 -0.908 -15.728 260 HD1 PHE 37 HD1 PHE 37 -13.900 2.472 -16.400 261 HD2 PHE 37 HD2 PHE 37 -14.245 -1.586 -17.638 262 HE1 PHE 37 HE1 PHE 37 -12.317 2.900 -18.234 263 HE2 PHE 37 HE2 PHE 37 -12.663 -1.164 -19.474 264 HZ PHE 37 HZ PHE 37 -11.696 1.081 -19.773 265 H ASP 38 H ASP 38 -17.013 -1.495 -16.638 266 HA ASP 38 HA ASP 38 -19.675 -1.752 -15.868 267 HB2 ASP 38 1HB ASP 38 -17.954 -3.327 -17.223 268 HB3 ASP 38 2HB ASP 38 -17.995 -4.186 -15.686 269 H SER 39 H SER 39 -20.705 -2.281 -14.018 270 HA SER 39 HA SER 39 -19.038 -2.830 -11.650 271 HB2 SER 39 1HB SER 39 -20.329 -1.388 -10.322 272 HB3 SER 39 2HB SER 39 -20.148 -0.498 -11.833 273 HG SER 39 HG SER 39 -22.332 -0.607 -10.943 274 H SER 40 H SER 40 -19.822 -4.292 -10.146 275 HA SER 40 HA SER 40 -21.650 -6.253 -11.186 276 HB2 SER 40 1HB SER 40 -20.727 -7.663 -9.665 277 HB3 SER 40 2HB SER 40 -19.499 -6.405 -9.523 278 HG SER 40 HG SER 40 -20.273 -6.955 -7.478 279 H ARG 41 H ARG 41 -21.799 -3.596 -8.970 280 HA ARG 41 HA ARG 41 -24.088 -4.378 -7.508 281 HB2 ARG 41 1HB ARG 41 -24.269 -1.977 -6.927 282 HB3 ARG 41 2HB ARG 41 -22.647 -2.615 -6.691 283 HG2 ARG 41 1HG ARG 41 -22.007 -1.642 -8.884 284 HG3 ARG 41 2HG ARG 41 -23.605 -0.898 -8.969 285 HD2 ARG 41 1HD ARG 41 -21.702 -0.464 -6.677 286 HD3 ARG 41 2HD ARG 41 -21.743 0.572 -8.103 287 HE ARG 41 HE ARG 41 -23.575 0.593 -5.920 288 HH11 ARG 41 1HH1 ARG 41 -23.298 1.135 -9.348 289 HH12 ARG 41 2HH1 ARG 41 -24.632 2.239 -9.413 290 HH21 ARG 41 1HH2 ARG 41 -25.332 2.046 -5.993 291 HH22 ARG 41 2HH2 ARG 41 -25.787 2.758 -7.504 292 H THR 42 H THR 42 -23.668 -2.486 -10.470 293 HA THR 42 HA THR 42 -26.299 -1.651 -10.834 294 HB THR 42 HB THR 42 -25.710 -1.690 -13.323 295 HG1 THR 42 HG1 THR 42 -23.999 -2.829 -13.799 296 HG21 THR 42 3HG2 THR 42 -24.533 -0.113 -11.154 297 HG22 THR 42 1HG2 THR 42 -25.326 0.416 -12.637 298 HG23 THR 42 2HG2 THR 42 -23.624 -0.047 -12.663 299 H ARG 43 H ARG 43 -24.890 -4.781 -11.189 300 HA ARG 43 HA ARG 43 -27.332 -5.768 -12.503 301 HB2 ARG 43 1HB ARG 43 -24.637 -7.122 -12.291 302 HB3 ARG 43 2HB ARG 43 -26.031 -7.710 -13.188 303 HG2 ARG 43 1HG ARG 43 -25.228 -5.015 -13.950 304 HG3 ARG 43 2HG ARG 43 -23.973 -6.228 -14.214 305 HD2 ARG 43 1HD ARG 43 -25.985 -7.588 -15.239 306 HD3 ARG 43 2HD ARG 43 -26.671 -5.977 -15.448 307 HE ARG 43 HE ARG 43 -25.147 -5.579 -17.113 308 HH11 ARG 43 1HH1 ARG 43 -24.178 -8.398 -15.315 309 HH12 ARG 43 2HH1 ARG 43 -22.913 -8.827 -16.418 310 HH21 ARG 43 1HH2 ARG 43 -23.485 -6.134 -18.573 311 HH22 ARG 43 2HH2 ARG 43 -22.519 -7.539 -18.271 312 H GLY 44 H GLY 44 -26.569 -5.227 -9.547 313 HA2 GLY 44 1HA GLY 44 -26.943 -6.204 -7.500 314 HA3 GLY 44 2HA GLY 44 -28.205 -7.091 -8.342 315 H LYS 45 H LYS 45 -24.834 -7.410 -9.188 316 HA LYS 45 HA LYS 45 -24.907 -10.169 -8.164 317 HB2 LYS 45 1HB LYS 45 -23.536 -8.925 -10.531 318 HB3 LYS 45 2HB LYS 45 -22.970 -10.449 -9.859 319 HG2 LYS 45 1HG LYS 45 -25.629 -10.937 -10.113 320 HG3 LYS 45 2HG LYS 45 -25.334 -9.865 -11.484 321 HD2 LYS 45 1HD LYS 45 -24.846 -11.879 -12.451 322 HD3 LYS 45 2HD LYS 45 -23.251 -11.454 -11.826 323 HE2 LYS 45 1HE LYS 45 -23.454 -13.619 -11.082 324 HE3 LYS 45 2HE LYS 45 -24.077 -12.726 -9.695 325 HZ1 LYS 45 3HZ LYS 45 -25.398 -14.624 -11.334 326 HZ2 LYS 45 1HZ LYS 45 -26.239 -13.156 -11.350 327 HZ3 LYS 45 2HZ LYS 45 -25.913 -13.927 -9.881 328 HA PRO 46 HA PRO 46 -21.823 -8.050 -5.484 329 HB2 PRO 46 1HB PRO 46 -22.427 -9.510 -3.276 330 HB3 PRO 46 2HB PRO 46 -23.321 -8.058 -3.742 331 HG2 PRO 46 1HG PRO 46 -24.020 -10.935 -4.183 332 HG3 PRO 46 2HG PRO 46 -25.062 -9.597 -3.663 333 HD2 PRO 46 1HD PRO 46 -25.022 -10.507 -6.213 334 HD3 PRO 46 2HD PRO 46 -25.330 -8.805 -5.811 335 H PHE 47 H PHE 47 -19.812 -8.772 -4.893 336 HA PHE 47 HA PHE 47 -19.160 -11.520 -5.677 337 HB2 PHE 47 1HB PHE 47 -17.940 -9.509 -6.664 338 HB3 PHE 47 2HB PHE 47 -17.197 -9.308 -5.081 339 HD1 PHE 47 HD1 PHE 47 -17.933 -12.349 -7.105 340 HD2 PHE 47 HD2 PHE 47 -14.983 -9.905 -5.250 341 HE1 PHE 47 HE1 PHE 47 -16.198 -13.984 -7.717 342 HE2 PHE 47 HE2 PHE 47 -13.244 -11.535 -5.860 343 HZ PHE 47 HZ PHE 47 -13.850 -13.577 -7.096 344 H ARG 48 H ARG 48 -18.878 -13.002 -4.160 345 HA ARG 48 HA ARG 48 -18.019 -12.127 -1.480 346 HB2 ARG 48 1HB ARG 48 -19.309 -14.023 -0.565 347 HB3 ARG 48 2HB ARG 48 -20.329 -12.868 -1.412 348 HG2 ARG 48 1HG ARG 48 -21.186 -14.760 -2.293 349 HG3 ARG 48 2HG ARG 48 -19.850 -14.546 -3.427 350 HD2 ARG 48 1HD ARG 48 -18.578 -15.933 -1.531 351 HD3 ARG 48 2HD ARG 48 -20.214 -16.534 -1.261 352 HE ARG 48 HE ARG 48 -19.896 -16.773 -3.938 353 HH11 ARG 48 1HH1 ARG 48 -18.022 -17.818 -1.197 354 HH12 ARG 48 2HH1 ARG 48 -17.392 -19.220 -1.996 355 HH21 ARG 48 1HH2 ARG 48 -19.073 -18.615 -5.002 356 HH22 ARG 48 2HH2 ARG 48 -17.989 -19.672 -4.161 357 H PHE 49 H PHE 49 -16.368 -13.206 -0.521 358 HA PHE 49 HA PHE 49 -15.483 -15.785 -1.354 359 HB2 PHE 49 1HB PHE 49 -13.303 -15.133 -2.259 360 HB3 PHE 49 2HB PHE 49 -14.607 -14.465 -3.235 361 HD1 PHE 49 HD2 PHE 49 -11.954 -13.688 -0.823 362 HD2 PHE 49 HD1 PHE 49 -14.969 -12.105 -3.378 363 HE1 PHE 49 HE2 PHE 49 -10.989 -11.440 -0.564 364 HE2 PHE 49 HE1 PHE 49 -14.008 -9.855 -3.123 365 HZ PHE 49 HZ PHE 49 -12.016 -9.519 -1.714 366 H THR 50 H THR 50 -13.241 -16.250 -0.327 367 HA THR 50 HA THR 50 -13.428 -15.412 2.443 368 HB THR 50 HB THR 50 -11.431 -17.326 1.227 369 HG1 THR 50 HG1 THR 50 -12.992 -18.913 2.089 370 HG21 THR 50 3HG2 THR 50 -11.644 -18.244 3.645 371 HG22 THR 50 1HG2 THR 50 -12.285 -16.644 4.018 372 HG23 THR 50 2HG2 THR 50 -10.658 -16.811 3.359 373 H VAL 51 H VAL 51 -12.481 -13.570 3.023 374 HA VAL 51 HA VAL 51 -10.450 -12.260 1.588 375 HB VAL 51 HB VAL 51 -11.033 -11.885 4.524 376 HG11 VAL 51 1HG1 VAL 51 -10.434 -9.496 3.895 377 HG12 VAL 51 2HG1 VAL 51 -9.111 -10.662 3.932 378 HG13 VAL 51 3HG1 VAL 51 -9.806 -10.163 2.389 379 HG21 VAL 51 3HG2 VAL 51 -12.527 -9.989 3.462 380 HG22 VAL 51 1HG2 VAL 51 -12.595 -11.120 2.110 381 HG23 VAL 51 2HG2 VAL 51 -13.155 -11.618 3.707 382 H GLY 52 H GLY 52 -8.533 -13.222 1.244 383 HA2 GLY 52 1HA GLY 52 -6.319 -13.320 2.417 384 HA3 GLY 52 2HA GLY 52 -7.132 -14.339 3.595 385 H ARG 53 H ARG 53 -8.653 -15.465 1.138 386 HA ARG 53 HA ARG 53 -6.898 -17.708 0.782 387 HB2 ARG 53 1HB ARG 53 -9.671 -17.003 -0.059 388 HB3 ARG 53 2HB ARG 53 -8.834 -18.272 -0.943 389 HG2 ARG 53 1HG ARG 53 -9.170 -18.266 2.046 390 HG3 ARG 53 2HG ARG 53 -10.281 -19.063 0.930 391 HD2 ARG 53 1HD ARG 53 -8.047 -20.143 0.031 392 HD3 ARG 53 2HD ARG 53 -7.480 -19.761 1.656 393 HE ARG 53 HE ARG 53 -9.367 -21.798 0.911 394 HH11 ARG 53 1HH1 ARG 53 -8.247 -19.728 3.476 395 HH12 ARG 53 2HH1 ARG 53 -8.832 -20.759 4.740 396 HH21 ARG 53 1HH2 ARG 53 -10.142 -23.163 2.565 397 HH22 ARG 53 2HH2 ARG 53 -9.909 -22.713 4.221 398 H GLY 54 H GLY 54 -6.624 -18.609 -1.517 399 HA2 GLY 54 1HA GLY 54 -5.344 -16.510 -3.088 400 HA3 GLY 54 2HA GLY 54 -5.147 -18.243 -3.307 401 H GLU 55 H GLU 55 -8.374 -17.158 -2.981 402 HA GLU 55 HA GLU 55 -8.924 -17.898 -5.724 403 HB2 GLU 55 1HB GLU 55 -10.780 -16.982 -3.520 404 HB3 GLU 55 2HB GLU 55 -11.290 -17.599 -5.086 405 HG2 GLU 55 1HG GLU 55 -9.575 -19.226 -3.248 406 HG3 GLU 55 2HG GLU 55 -11.330 -19.191 -3.090 407 H VAL 56 H VAL 56 -8.477 -15.018 -3.894 408 HA VAL 56 HA VAL 56 -9.466 -13.407 -6.157 409 HB VAL 56 HB VAL 56 -9.547 -11.518 -4.462 410 HG11 VAL 56 1HG1 VAL 56 -11.461 -13.640 -3.623 411 HG12 VAL 56 2HG1 VAL 56 -11.755 -11.945 -4.018 412 HG13 VAL 56 3HG1 VAL 56 -11.461 -13.114 -5.306 413 HG21 VAL 56 3HG2 VAL 56 -8.290 -13.369 -2.833 414 HG22 VAL 56 1HG2 VAL 56 -9.001 -11.838 -2.323 415 HG23 VAL 56 2HG2 VAL 56 -9.945 -13.324 -2.225 416 H ILE 57 H ILE 57 -8.326 -11.073 -5.908 417 HA ILE 57 HA ILE 57 -5.484 -11.642 -6.258 418 HB ILE 57 HB ILE 57 -5.390 -9.326 -7.199 419 HG12 ILE 57 1HG1 ILE 57 -8.355 -9.304 -7.433 420 HG13 ILE 57 2HG1 ILE 57 -7.670 -8.842 -5.879 421 HG21 ILE 57 1HG2 ILE 57 -5.632 -11.280 -8.637 422 HG22 ILE 57 2HG2 ILE 57 -7.385 -11.195 -8.471 423 HG23 ILE 57 3HG2 ILE 57 -6.513 -9.902 -9.293 424 HD11 ILE 57 3HD1 ILE 57 -7.878 -6.827 -6.977 425 HD12 ILE 57 1HD1 ILE 57 -6.192 -7.252 -7.271 426 HD13 ILE 57 2HD1 ILE 57 -7.399 -7.506 -8.532 427 H ARG 58 H ARG 58 -3.874 -10.149 -5.404 428 HA ARG 58 HA ARG 58 -3.963 -9.842 -2.669 429 HB2 ARG 58 1HB ARG 58 -2.373 -8.128 -4.585 430 HB3 ARG 58 2HB ARG 58 -2.014 -8.400 -2.885 431 HG2 ARG 58 1HG ARG 58 -1.961 -10.475 -5.066 432 HG3 ARG 58 2HG ARG 58 -0.561 -9.726 -4.296 433 HD2 ARG 58 1HD ARG 58 -1.643 -10.621 -2.100 434 HD3 ARG 58 2HD ARG 58 -2.506 -11.707 -3.188 435 HE ARG 58 HE ARG 58 0.265 -11.754 -3.747 436 HH11 ARG 58 1HH1 ARG 58 -2.071 -12.841 -1.406 437 HH12 ARG 58 2HH1 ARG 58 -1.136 -14.214 -0.916 438 HH21 ARG 58 1HH2 ARG 58 1.506 -13.559 -3.111 439 HH22 ARG 58 2HH2 ARG 58 0.900 -14.621 -1.886 440 H GLY 59 H GLY 59 -4.676 -7.406 -5.157 441 HA2 GLY 59 1HA GLY 59 -5.076 -5.180 -3.591 442 HA3 GLY 59 2HA GLY 59 -5.980 -5.515 -5.060 443 H TRP 60 H TRP 60 -7.714 -7.340 -4.640 444 HA TRP 60 HA TRP 60 -9.702 -6.246 -3.052 445 HB2 TRP 60 1HB TRP 60 -9.308 -9.017 -4.160 446 HB3 TRP 60 2HB TRP 60 -10.727 -8.607 -3.200 447 HD1 TRP 60 HD1 TRP 60 -10.576 -5.529 -4.724 448 HE1 TRP 60 HE1 TRP 60 -11.767 -5.399 -7.002 449 HE3 TRP 60 HE3 TRP 60 -10.830 -10.521 -5.793 450 HZ2 TRP 60 HZ2 TRP 60 -12.693 -7.177 -8.989 451 HZ3 TRP 60 HZ3 TRP 60 -11.885 -11.224 -7.902 452 HH2 TRP 60 HH2 TRP 60 -12.797 -9.585 -9.465 453 H ASP 61 H ASP 61 -7.436 -8.863 -2.294 454 HA ASP 61 HA ASP 61 -8.412 -9.703 0.136 455 HB2 ASP 61 1HB ASP 61 -6.259 -10.373 -1.275 456 HB3 ASP 61 2HB ASP 61 -5.463 -9.329 -0.101 457 H GLU 62 H GLU 62 -5.827 -7.267 -0.233 458 HA GLU 62 HA GLU 62 -5.908 -6.414 2.445 459 HB2 GLU 62 1HB GLU 62 -4.829 -5.198 -0.082 460 HB3 GLU 62 2HB GLU 62 -4.778 -4.312 1.436 461 HG2 GLU 62 1HG GLU 62 -3.565 -7.029 0.991 462 HG3 GLU 62 2HG GLU 62 -2.684 -5.503 0.928 463 H GLY 63 H GLY 63 -7.366 -5.024 -0.488 464 HA2 GLY 63 1HA GLY 63 -8.508 -2.750 0.586 465 HA3 GLY 63 2HA GLY 63 -9.198 -3.663 -0.748 466 H VAL 64 H VAL 64 -10.349 -5.750 0.021 467 HA VAL 64 HA VAL 64 -12.576 -5.029 1.520 468 HB VAL 64 HB VAL 64 -12.382 -6.987 -0.070 469 HG11 VAL 64 1HG1 VAL 64 -11.582 -8.668 2.251 470 HG12 VAL 64 2HG1 VAL 64 -11.390 -8.963 0.522 471 HG13 VAL 64 3HG1 VAL 64 -10.325 -7.825 1.348 472 HG21 VAL 64 3HG2 VAL 64 -14.176 -8.119 0.913 473 HG22 VAL 64 1HG2 VAL 64 -13.589 -7.816 2.548 474 HG23 VAL 64 2HG2 VAL 64 -14.271 -6.497 1.597 475 H ALA 65 H ALA 65 -9.530 -6.422 2.526 476 HA ALA 65 HA ALA 65 -10.264 -7.313 5.083 477 HB1 ALA 65 1HB ALA 65 -7.702 -6.676 5.488 478 HB2 ALA 65 2HB ALA 65 -8.201 -8.102 4.578 479 HB3 ALA 65 3HB ALA 65 -7.725 -6.633 3.725 480 H GLN 66 H GLN 66 -9.247 -4.145 3.912 481 HA GLN 66 HA GLN 66 -9.450 -3.035 6.606 482 HB2 GLN 66 1HB GLN 66 -8.549 -1.784 4.006 483 HB3 GLN 66 2HB GLN 66 -8.567 -0.962 5.561 484 HG2 GLN 66 1HG GLN 66 -6.883 -2.379 6.431 485 HG3 GLN 66 2HG GLN 66 -7.010 -3.481 5.062 486 HE21 GLN 66 2HE2 GLN 66 -6.555 -2.442 2.905 487 HE22 GLN 66 1HE2 GLN 66 -5.221 -1.347 2.836 488 H MET 67 H MET 67 -11.724 -3.927 4.750 489 HA MET 67 HA MET 67 -13.193 -1.389 4.601 490 HB2 MET 67 1HB MET 67 -13.632 -4.066 3.285 491 HB3 MET 67 2HB MET 67 -14.841 -2.789 3.258 492 HG2 MET 67 1HG MET 67 -12.491 -1.556 2.433 493 HG3 MET 67 2HG MET 67 -12.483 -3.130 1.639 494 HE1 MET 67 3HE MET 67 -16.316 -1.003 1.865 495 HE2 MET 67 1HE MET 67 -14.932 -0.713 2.919 496 HE3 MET 67 2HE MET 67 -15.211 0.329 1.523 497 H SER 68 H SER 68 -15.280 -1.198 5.487 498 HA SER 68 HA SER 68 -15.880 -3.173 7.591 499 HB2 SER 68 1HB SER 68 -17.034 -1.204 8.736 500 HB3 SER 68 2HB SER 68 -15.272 -1.153 8.683 501 HG SER 68 HG SER 68 -16.883 0.699 7.859 502 H VAL 69 H VAL 69 -17.983 -3.847 7.873 503 HA VAL 69 HA VAL 69 -19.631 -4.117 5.685 504 HB VAL 69 HB VAL 69 -20.458 -4.100 8.591 505 HG11 VAL 69 1HG1 VAL 69 -22.469 -3.936 7.439 506 HG12 VAL 69 2HG1 VAL 69 -21.888 -4.909 6.087 507 HG13 VAL 69 3HG1 VAL 69 -22.263 -5.676 7.631 508 HG21 VAL 69 3HG2 VAL 69 -20.047 -6.419 8.618 509 HG22 VAL 69 1HG2 VAL 69 -19.881 -6.491 6.864 510 HG23 VAL 69 2HG2 VAL 69 -18.636 -5.707 7.836 511 H GLY 70 H GLY 70 -20.919 -2.789 4.591 512 HA2 GLY 70 1HA GLY 70 -22.535 -1.139 4.261 513 HA3 GLY 70 2HA GLY 70 -22.371 -0.675 5.948 514 H GLN 71 H GLN 71 -19.381 -0.942 4.407 515 HA GLN 71 HA GLN 71 -19.250 1.983 4.130 516 HB2 GLN 71 1HB GLN 71 -17.746 0.678 5.791 517 HB3 GLN 71 2HB GLN 71 -16.849 0.194 4.359 518 HG2 GLN 71 1HG GLN 71 -17.051 2.893 4.016 519 HG3 GLN 71 2HG GLN 71 -16.909 2.749 5.767 520 HE21 GLN 71 2HE2 GLN 71 -15.367 2.133 2.703 521 HE22 GLN 71 1HE2 GLN 71 -13.774 1.893 3.328 522 H ARG 72 H ARG 72 -18.157 2.902 2.355 523 HA ARG 72 HA ARG 72 -17.572 1.092 0.118 524 HB2 ARG 72 1HB ARG 72 -19.846 1.946 -0.213 525 HB3 ARG 72 2HB ARG 72 -19.258 3.596 -0.058 526 HG2 ARG 72 1HG ARG 72 -18.268 3.586 -2.129 527 HG3 ARG 72 2HG ARG 72 -18.089 1.830 -2.152 528 HD2 ARG 72 1HD ARG 72 -19.804 2.628 -3.730 529 HD3 ARG 72 2HD ARG 72 -20.464 1.554 -2.498 530 HE ARG 72 HE ARG 72 -21.736 3.290 -1.712 531 HH11 ARG 72 1HH1 ARG 72 -19.267 4.539 -3.825 532 HH12 ARG 72 2HH1 ARG 72 -19.917 6.145 -3.850 533 HH21 ARG 72 1HH2 ARG 72 -22.602 5.401 -1.737 534 HH22 ARG 72 2HH2 ARG 72 -21.814 6.634 -2.661 535 H ALA 73 H ALA 73 -15.829 1.643 -1.082 536 HA ALA 73 HA ALA 73 -14.758 4.317 -1.079 537 HB1 ALA 73 1HB ALA 73 -13.920 3.413 1.064 538 HB2 ALA 73 2HB ALA 73 -13.109 2.125 0.173 539 HB3 ALA 73 3HB ALA 73 -12.629 3.804 -0.072 540 H LYS 74 H LYS 74 -12.659 4.388 -2.351 541 HA LYS 74 HA LYS 74 -12.962 2.644 -4.672 542 HB2 LYS 74 1HB LYS 74 -10.992 4.893 -4.548 543 HB3 LYS 74 2HB LYS 74 -11.899 4.281 -5.925 544 HG2 LYS 74 1HG LYS 74 -13.945 5.266 -5.009 545 HG3 LYS 74 2HG LYS 74 -13.021 5.894 -3.642 546 HD2 LYS 74 1HD LYS 74 -12.138 7.578 -4.852 547 HD3 LYS 74 2HD LYS 74 -11.944 6.576 -6.292 548 HE2 LYS 74 1HE LYS 74 -14.618 6.749 -6.229 549 HE3 LYS 74 2HE LYS 74 -14.214 8.273 -5.440 550 HZ1 LYS 74 3HZ LYS 74 -12.902 7.514 -7.968 551 HZ2 LYS 74 1HZ LYS 74 -13.144 9.055 -7.312 552 HZ3 LYS 74 2HZ LYS 74 -14.444 8.210 -7.985 553 H LEU 75 H LEU 75 -11.535 1.114 -5.241 554 HA LEU 75 HA LEU 75 -9.143 0.802 -3.560 555 HB2 LEU 75 1HB LEU 75 -10.992 -0.996 -3.740 556 HB3 LEU 75 2HB LEU 75 -10.284 -1.338 -5.318 557 HG LEU 75 HG LEU 75 -8.111 -1.778 -4.156 558 HD11 LEU 75 1HD1 LEU 75 -8.521 -0.521 -2.118 559 HD12 LEU 75 2HD1 LEU 75 -8.177 -2.210 -1.746 560 HD13 LEU 75 3HD1 LEU 75 -9.836 -1.615 -1.688 561 HD21 LEU 75 3HD2 LEU 75 -9.319 -3.675 -4.821 562 HD22 LEU 75 1HD2 LEU 75 -10.554 -3.429 -3.587 563 HD23 LEU 75 2HD2 LEU 75 -8.938 -3.959 -3.122 564 H VAL 76 H VAL 76 -7.660 2.036 -4.656 565 HA VAL 76 HA VAL 76 -7.213 1.458 -7.496 566 HB VAL 76 HB VAL 76 -7.365 3.800 -7.069 567 HG11 VAL 76 1HG1 VAL 76 -6.028 3.112 -4.621 568 HG12 VAL 76 2HG1 VAL 76 -5.186 4.437 -5.427 569 HG13 VAL 76 3HG1 VAL 76 -6.902 4.584 -5.043 570 HG21 VAL 76 3HG2 VAL 76 -4.404 3.493 -7.198 571 HG22 VAL 76 1HG2 VAL 76 -5.392 2.766 -8.466 572 HG23 VAL 76 2HG2 VAL 76 -5.477 4.502 -8.169 573 H CYS 77 H CYS 77 -5.999 -0.350 -7.648 574 HA CYS 77 HA CYS 77 -3.408 -0.334 -6.247 575 HB2 CYS 77 1HB CYS 77 -3.547 -2.824 -6.178 576 HB3 CYS 77 2HB CYS 77 -4.773 -2.026 -5.200 577 HG CYS 77 HG CYS 77 -6.895 -2.637 -6.728 578 H SER 78 H SER 78 -1.739 -1.667 -7.339 579 HA SER 78 HA SER 78 -1.727 -1.061 -10.160 580 HB2 SER 78 1HB SER 78 0.242 -1.598 -8.114 581 HB3 SER 78 2HB SER 78 0.558 -2.579 -9.546 582 HG SER 78 HG SER 78 1.105 -0.031 -9.198 583 HA PRO 79 HA PRO 79 -2.648 -4.991 -11.878 584 HB2 PRO 79 1HB PRO 79 -0.719 -5.355 -13.753 585 HB3 PRO 79 2HB PRO 79 -2.022 -4.174 -13.932 586 HG2 PRO 79 1HG PRO 79 0.808 -3.755 -13.049 587 HG3 PRO 79 2HG PRO 79 -0.175 -2.778 -14.156 588 HD2 PRO 79 1HD PRO 79 0.228 -2.087 -11.569 589 HD3 PRO 79 2HD PRO 79 -1.275 -1.708 -12.436 590 H ASP 80 H ASP 80 0.582 -4.555 -10.625 591 HA ASP 80 HA ASP 80 1.500 -7.204 -10.802 592 HB2 ASP 80 1HB ASP 80 2.181 -4.947 -8.920 593 HB3 ASP 80 2HB ASP 80 2.990 -6.510 -8.851 594 H TYR 81 H TYR 81 -0.742 -5.676 -8.654 595 HA TYR 81 HA TYR 81 -0.805 -8.094 -6.975 596 HB2 TYR 81 1HB TYR 81 -1.260 -5.212 -6.402 597 HB3 TYR 81 2HB TYR 81 -2.255 -6.371 -5.527 598 HD1 TYR 81 HD2 TYR 81 1.265 -6.853 -6.587 599 HD2 TYR 81 HD1 TYR 81 -1.392 -6.122 -3.345 600 HE1 TYR 81 HE2 TYR 81 3.107 -7.229 -5.000 601 HE2 TYR 81 HE1 TYR 81 0.442 -6.494 -1.750 602 HH TYR 81 HH TYR 81 3.327 -7.940 -2.570 603 H ALA 82 H ALA 82 -2.166 -7.331 -9.633 604 HA ALA 82 HA ALA 82 -4.719 -8.515 -8.948 605 HB1 ALA 82 1HB ALA 82 -5.044 -6.054 -8.668 606 HB2 ALA 82 2HB ALA 82 -4.690 -5.869 -10.387 607 HB3 ALA 82 3HB ALA 82 -6.097 -6.798 -9.871 608 H TYR 83 H TYR 83 -6.049 -8.085 -11.332 609 HA TYR 83 HA TYR 83 -4.437 -9.714 -13.135 610 HB2 TYR 83 1HB TYR 83 -6.677 -9.843 -14.396 611 HB3 TYR 83 2HB TYR 83 -6.571 -10.648 -12.834 612 HD1 TYR 83 HD2 TYR 83 -7.388 -7.216 -14.091 613 HD2 TYR 83 HD1 TYR 83 -8.430 -10.427 -11.502 614 HE1 TYR 83 HE2 TYR 83 -9.342 -5.943 -13.310 615 HE2 TYR 83 HE1 TYR 83 -10.388 -9.164 -10.714 616 HH TYR 83 HH TYR 83 -11.881 -7.198 -11.831 617 H GLY 84 H GLY 84 -4.296 -6.663 -12.692 618 HA2 GLY 84 1HA GLY 84 -5.128 -5.439 -15.114 619 HA3 GLY 84 2HA GLY 84 -3.975 -4.776 -13.965 620 H SER 85 H SER 85 -2.352 -7.318 -14.271 621 HA SER 85 HA SER 85 -0.402 -6.410 -15.977 622 HB2 SER 85 1HB SER 85 0.270 -8.886 -16.146 623 HB3 SER 85 2HB SER 85 0.188 -8.181 -14.532 624 HG SER 85 HG SER 85 -0.931 -10.331 -15.112 625 H ARG 86 H ARG 86 -2.425 -9.215 -16.829 626 HA ARG 86 HA ARG 86 -1.893 -8.947 -19.605 627 HB2 ARG 86 1HB ARG 86 -2.394 -11.126 -18.812 628 HB3 ARG 86 2HB ARG 86 -3.876 -10.584 -18.036 629 HG2 ARG 86 1HG ARG 86 -4.236 -11.895 -20.109 630 HG3 ARG 86 2HG ARG 86 -4.953 -10.283 -20.147 631 HD2 ARG 86 1HD ARG 86 -3.799 -10.912 -22.253 632 HD3 ARG 86 2HD ARG 86 -3.157 -9.452 -21.502 633 HE ARG 86 HE ARG 86 -1.739 -11.820 -20.737 634 HH11 ARG 86 1HH1 ARG 86 -2.047 -9.361 -23.182 635 HH12 ARG 86 2HH1 ARG 86 -0.418 -9.534 -23.746 636 HH21 ARG 86 1HH2 ARG 86 0.408 -12.057 -21.472 637 HH22 ARG 86 2HH2 ARG 86 0.977 -11.068 -22.774 638 H GLY 87 H GLY 87 -4.944 -8.545 -17.788 639 HA2 GLY 87 1HA GLY 87 -6.718 -7.124 -18.132 640 HA3 GLY 87 2HA GLY 87 -5.644 -6.140 -19.115 641 H HIS 88 H HIS 88 -7.666 -5.837 -20.363 642 HA HIS 88 HA HIS 88 -7.696 -7.681 -22.591 643 HB2 HIS 88 1HB HIS 88 -9.947 -7.458 -20.653 644 HB3 HIS 88 2HB HIS 88 -10.350 -7.588 -22.363 645 HD1 HIS 88 HD1 HIS 88 -8.449 -9.659 -23.375 646 HD2 HIS 88 HD2 HIS 88 -10.271 -9.944 -19.652 647 HE1 HIS 88 HE1 HIS 88 -8.394 -12.103 -22.785 648 HA PRO 89 HA PRO 89 -8.505 -4.034 -24.892 649 HB2 PRO 89 1HB PRO 89 -9.958 -5.003 -26.971 650 HB3 PRO 89 2HB PRO 89 -8.225 -5.300 -26.789 651 HG2 PRO 89 1HG PRO 89 -10.534 -7.077 -26.103 652 HG3 PRO 89 2HG PRO 89 -9.002 -7.489 -26.897 653 HD2 PRO 89 1HD PRO 89 -9.458 -7.972 -24.272 654 HD3 PRO 89 2HD PRO 89 -7.847 -7.575 -24.904 655 H GLY 90 H GLY 90 -9.827 -2.498 -24.133 656 HA2 GLY 90 1HA GLY 90 -11.807 -1.287 -24.008 657 HA3 GLY 90 2HA GLY 90 -12.664 -2.674 -24.664 658 H VAL 91 H VAL 91 -10.731 -3.655 -22.126 659 HA VAL 91 HA VAL 91 -12.902 -3.291 -20.169 660 HB VAL 91 HB VAL 91 -11.270 -5.814 -20.455 661 HG11 VAL 91 1HG1 VAL 91 -12.272 -6.571 -18.597 662 HG12 VAL 91 2HG1 VAL 91 -12.595 -4.868 -18.268 663 HG13 VAL 91 3HG1 VAL 91 -13.829 -5.869 -19.034 664 HG21 VAL 91 3HG2 VAL 91 -12.579 -6.186 -22.246 665 HG22 VAL 91 1HG2 VAL 91 -13.820 -6.536 -21.042 666 HG23 VAL 91 2HG2 VAL 91 -13.738 -4.939 -21.785 667 H ILE 92 H ILE 92 -9.547 -4.490 -20.395 668 HA ILE 92 HA ILE 92 -8.855 -2.740 -18.139 669 HB ILE 92 HB ILE 92 -8.013 -5.629 -18.410 670 HG12 ILE 92 1HG1 ILE 92 -9.727 -4.252 -16.329 671 HG13 ILE 92 2HG1 ILE 92 -10.319 -5.329 -17.589 672 HG21 ILE 92 1HG2 ILE 92 -6.776 -5.323 -16.367 673 HG22 ILE 92 2HG2 ILE 92 -6.238 -4.131 -17.549 674 HG23 ILE 92 3HG2 ILE 92 -7.321 -3.651 -16.243 675 HD11 ILE 92 3HD1 ILE 92 -10.118 -6.388 -15.364 676 HD12 ILE 92 1HD1 ILE 92 -9.173 -7.189 -16.619 677 HD13 ILE 92 2HD1 ILE 92 -8.374 -6.141 -15.446 678 HA PRO 93 HA PRO 93 -5.571 -1.563 -20.856 679 HB2 PRO 93 1HB PRO 93 -4.094 -0.181 -19.045 680 HB3 PRO 93 2HB PRO 93 -5.591 0.447 -19.744 681 HG2 PRO 93 1HG PRO 93 -5.144 -0.866 -17.091 682 HG3 PRO 93 2HG PRO 93 -6.120 0.562 -17.482 683 HD2 PRO 93 1HD PRO 93 -7.208 -1.890 -17.112 684 HD3 PRO 93 2HD PRO 93 -7.892 -0.702 -18.240 685 HA PRO 94 HA PRO 94 -2.288 -4.440 -20.293 686 HB2 PRO 94 1HB PRO 94 -0.237 -3.126 -21.492 687 HB3 PRO 94 2HB PRO 94 -1.573 -3.849 -22.395 688 HG2 PRO 94 1HG PRO 94 -1.154 -0.996 -21.593 689 HG3 PRO 94 2HG PRO 94 -1.723 -1.651 -23.139 690 HD2 PRO 94 1HD PRO 94 -3.407 -0.624 -21.284 691 HD3 PRO 94 2HD PRO 94 -3.872 -1.954 -22.363 692 H ASN 95 H ASN 95 -1.883 -4.558 -18.103 693 HA ASN 95 HA ASN 95 -0.883 -4.164 -16.089 694 HB2 ASN 95 1HB ASN 95 1.504 -3.093 -17.549 695 HB3 ASN 95 2HB ASN 95 1.439 -4.179 -16.164 696 HD21 ASN 95 2HD2 ASN 95 1.067 -3.924 -19.625 697 HD22 ASN 95 1HD2 ASN 95 1.241 -5.610 -19.963 698 H ALA 96 H ALA 96 -2.551 -2.251 -16.218 699 HA ALA 96 HA ALA 96 -1.051 0.200 -15.578 700 HB1 ALA 96 1HB ALA 96 -2.599 -0.002 -17.785 701 HB2 ALA 96 2HB ALA 96 -3.777 0.588 -16.611 702 HB3 ALA 96 3HB ALA 96 -2.302 1.505 -16.917 703 H THR 97 H THR 97 -1.948 1.526 -13.950 704 HA THR 97 HA THR 97 -3.002 0.224 -11.742 705 HB THR 97 HB THR 97 -3.417 3.163 -12.286 706 HG1 THR 97 HG1 THR 97 -1.091 1.865 -11.262 707 HG21 THR 97 3HG2 THR 97 -3.012 1.569 -9.753 708 HG22 THR 97 1HG2 THR 97 -4.507 2.340 -10.282 709 HG23 THR 97 2HG2 THR 97 -3.115 3.327 -9.835 710 H LEU 98 H LEU 98 -5.005 -0.214 -10.994 711 HA LEU 98 HA LEU 98 -7.295 0.748 -12.577 712 HB2 LEU 98 1HB LEU 98 -7.223 -1.935 -11.236 713 HB3 LEU 98 2HB LEU 98 -8.346 -1.351 -12.463 714 HG LEU 98 HG LEU 98 -5.429 -1.943 -12.958 715 HD11 LEU 98 1HD1 LEU 98 -7.385 -3.663 -14.242 716 HD12 LEU 98 2HD1 LEU 98 -7.424 -3.786 -12.483 717 HD13 LEU 98 3HD1 LEU 98 -5.919 -4.079 -13.353 718 HD21 LEU 98 3HD2 LEU 98 -5.906 -1.634 -15.249 719 HD22 LEU 98 1HD2 LEU 98 -6.615 -0.249 -14.418 720 HD23 LEU 98 2HD2 LEU 98 -7.645 -1.575 -14.958 721 H THR 99 H THR 99 -9.109 1.362 -11.467 722 HA THR 99 HA THR 99 -8.908 1.323 -8.525 723 HB THR 99 HB THR 99 -10.283 3.437 -10.193 724 HG1 THR 99 HG1 THR 99 -8.449 4.724 -9.466 725 HG21 THR 99 3HG2 THR 99 -11.222 3.162 -7.952 726 HG22 THR 99 1HG2 THR 99 -10.352 4.689 -8.084 727 HG23 THR 99 2HG2 THR 99 -9.614 3.323 -7.249 728 H PHE 100 H PHE 100 -10.220 -0.316 -7.939 729 HA PHE 100 HA PHE 100 -12.892 -0.471 -9.149 730 HB2 PHE 100 1HB PHE 100 -11.436 -2.515 -7.458 731 HB3 PHE 100 2HB PHE 100 -12.994 -2.745 -8.245 732 HD1 PHE 100 HD2 PHE 100 -12.471 -1.534 -10.885 733 HD2 PHE 100 HD1 PHE 100 -10.056 -4.078 -8.474 734 HE1 PHE 100 HE2 PHE 100 -11.329 -2.356 -12.903 735 HE2 PHE 100 HE1 PHE 100 -8.909 -4.904 -10.489 736 HZ PHE 100 HZ PHE 100 -9.546 -4.044 -12.707 737 H ASP 101 H ASP 101 -14.478 0.463 -8.061 738 HA ASP 101 HA ASP 101 -14.217 1.304 -5.355 739 HB2 ASP 101 1HB ASP 101 -16.172 1.585 -7.512 740 HB3 ASP 101 2HB ASP 101 -16.917 1.445 -5.922 741 H VAL 102 H VAL 102 -14.232 -0.074 -3.707 742 HA VAL 102 HA VAL 102 -15.950 -2.450 -3.837 743 HB VAL 102 HB VAL 102 -13.768 -1.838 -1.840 744 HG11 VAL 102 1HG1 VAL 102 -15.440 -3.420 -1.036 745 HG12 VAL 102 2HG1 VAL 102 -15.223 -4.401 -2.487 746 HG13 VAL 102 3HG1 VAL 102 -13.901 -4.228 -1.332 747 HG21 VAL 102 3HG2 VAL 102 -13.701 -3.374 -4.428 748 HG22 VAL 102 1HG2 VAL 102 -12.697 -2.007 -3.945 749 HG23 VAL 102 2HG2 VAL 102 -12.491 -3.573 -3.161 750 H GLU 103 H GLU 103 -17.587 -2.803 -2.426 751 HA GLU 103 HA GLU 103 -17.954 -0.920 -0.207 752 HB2 GLU 103 1HB GLU 103 -19.340 -0.002 -1.924 753 HB3 GLU 103 2HB GLU 103 -19.982 -1.585 -2.340 754 HG2 GLU 103 1HG GLU 103 -21.133 -1.704 -0.208 755 HG3 GLU 103 2HG GLU 103 -20.452 -0.147 0.263 756 H LEU 104 H LEU 104 -17.982 -2.127 1.565 757 HA LEU 104 HA LEU 104 -18.520 -4.896 1.605 758 HB2 LEU 104 1HB LEU 104 -17.259 -3.269 3.278 759 HB3 LEU 104 2HB LEU 104 -18.829 -3.282 4.080 760 HG LEU 104 HG LEU 104 -17.527 -4.918 5.165 761 HD11 LEU 104 1HD1 LEU 104 -19.026 -6.614 3.207 762 HD12 LEU 104 2HD1 LEU 104 -19.884 -5.542 4.313 763 HD13 LEU 104 3HD1 LEU 104 -18.842 -6.814 4.949 764 HD21 LEU 104 3HD2 LEU 104 -16.252 -5.159 2.653 765 HD22 LEU 104 1HD2 LEU 104 -16.862 -6.755 3.091 766 HD23 LEU 104 2HD2 LEU 104 -15.788 -5.889 4.190 767 H LEU 105 H LEU 105 -20.349 -6.024 1.886 768 HA LEU 105 HA LEU 105 -22.817 -4.503 2.404 769 HB2 LEU 105 1HB LEU 105 -22.201 -6.834 0.651 770 HB3 LEU 105 2HB LEU 105 -23.823 -6.676 1.322 771 HG LEU 105 HG LEU 105 -22.435 -4.664 -0.448 772 HD11 LEU 105 1HD1 LEU 105 -24.331 -6.889 -0.949 773 HD12 LEU 105 2HD1 LEU 105 -23.030 -6.257 -1.958 774 HD13 LEU 105 3HD1 LEU 105 -24.561 -5.390 -1.849 775 HD21 LEU 105 3HD2 LEU 105 -23.899 -3.194 0.343 776 HD22 LEU 105 1HD2 LEU 105 -24.668 -4.425 1.344 777 HD23 LEU 105 2HD2 LEU 105 -25.192 -4.191 -0.324 778 H ARG 106 H ARG 106 -21.026 -7.442 3.147 779 HA ARG 106 HA ARG 106 -22.081 -7.586 5.773 780 HB2 ARG 106 1HB ARG 106 -23.286 -9.730 5.563 781 HB3 ARG 106 2HB ARG 106 -24.065 -8.436 4.664 782 HG2 ARG 106 1HG ARG 106 -23.730 -9.432 2.680 783 HG3 ARG 106 2HG ARG 106 -22.135 -10.037 3.134 784 HD2 ARG 106 1HD ARG 106 -23.506 -11.942 2.865 785 HD3 ARG 106 2HD ARG 106 -23.328 -11.710 4.603 786 HE ARG 106 HE ARG 106 -25.630 -10.372 3.889 787 HH11 ARG 106 1HH1 ARG 106 -24.444 -13.642 3.745 788 HH12 ARG 106 2HH1 ARG 106 -26.015 -14.357 3.891 789 HH21 ARG 106 1HH2 ARG 106 -27.705 -11.301 4.082 790 HH22 ARG 106 2HH2 ARG 106 -27.869 -13.025 4.082 791 H VAL 107 H VAL 107 -21.257 -9.480 6.964 792 HA VAL 107 HA VAL 107 -18.874 -10.644 5.676 793 HB VAL 107 HB VAL 107 -19.116 -9.705 8.538 794 HG11 VAL 107 1HG1 VAL 107 -16.639 -10.281 8.556 795 HG12 VAL 107 2HG1 VAL 107 -17.769 -11.636 8.595 796 HG13 VAL 107 3HG1 VAL 107 -16.954 -11.210 7.090 797 HG21 VAL 107 3HG2 VAL 107 -18.703 -8.097 6.471 798 HG22 VAL 107 1HG2 VAL 107 -17.859 -7.879 8.004 799 HG23 VAL 107 2HG2 VAL 107 -17.052 -8.687 6.660 800 H GLU 108 H GLU 108 -18.395 -12.770 6.136 801 HA GLU 108 HA GLU 108 -20.118 -14.214 8.005 802 HB2 GLU 108 1HB GLU 108 -19.798 -14.916 5.084 803 HB3 GLU 108 2HB GLU 108 -20.477 -16.005 6.286 804 HG2 GLU 108 1HG GLU 108 -21.644 -13.284 5.955 805 HG3 GLU 108 2HG GLU 108 -22.029 -14.546 4.786
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